++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:11:57 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: ./2p97-1.6-parrot-mrncs/2p97-1.6-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2p97-1.6-parrot-mrncs/2p97-1.6-parrot-mrncs.ins Phases from ./2p97-1.6-parrot-mrncs/2p97-1.6-parrot-mrncs.phi Native data from ./2p97-1.6-parrot-mrncs/2p97-1.6-parrot-mrncs.hkl Listing output to ./2p97-1.6-parrot-mrncs/2p97-1.6-parrot-mrncs.lst Phases output to ./2p97-1.6-parrot-mrncs/2p97-1.6-parrot-mrncs.phs Poly-Ala trace output to ./2p97-1.6-parrot-mrncs/2p97-1.6-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 42 21 2 Allowed origin shift code: 9 68679 Reflections read from file ./2p97-1.6-parrot-mrncs/2p97-1.6-parrot-mrncs.phi 68679 Reflections read from file ./2p97-1.6-parrot-mrncs/2p97-1.6-parrot-mrncs.hkl 68679 Unique data, highest resolution = 1.600 Angstroms Anisotropic scaling: intensities multiplied by -0.000036h^2 -0.000036k^2 +0.000111l^2 +0.000000kl +0.000000hl +0.000000hk 18 Reflections with d > 1.800 and 0 in range 1.800 > d > 1.600 added Density sharpening factor set to 1.35 Fourier grid = 256 x 256 x 46 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 40 Extra Fourier layers will be generated <|E^2-1|> = 0.723 = 0.300, Contrast = 0.394, Connect. = 0.737 for dens.mod. cycle 1 = 0.300, Contrast = 0.537, Connect. = 0.768 for dens.mod. cycle 2 = 0.300, Contrast = 0.693, Connect. = 0.805 for dens.mod. cycle 3 = 0.300, Contrast = 0.735, Connect. = 0.814 for dens.mod. cycle 4 = 0.300, Contrast = 0.754, Connect. = 0.819 for dens.mod. cycle 5 = 0.300, Contrast = 0.763, Connect. = 0.822 for dens.mod. cycle 6 = 0.300, Contrast = 0.769, Connect. = 0.824 for dens.mod. cycle 7 = 0.300, Contrast = 0.772, Connect. = 0.825 for dens.mod. cycle 8 = 0.300, Contrast = 0.774, Connect. = 0.826 for dens.mod. cycle 9 = 0.300, Contrast = 0.775, Connect. = 0.826 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2479 peaks > 0.5 sigma used to seed fragment search Space for about 560 unique residues taking solvent into account 604 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 23.067 2.318 1.227 0.317 0.737 0.579 CB 1.703 B: 76 59.088 2.354 0.932 0.466 0.920 0.640 CB 1.687 20 residues pruned to eliminate duplicates C: 99 62.099 2.345 0.997 0.426 0.867 0.602 CB 1.667 D: 16 23.804 2.312 1.256 0.396 0.733 0.467 CB 1.792 16 residues pruned to eliminate duplicates E: 13 36.299 2.223 1.164 0.845 0.917 0.833 CB 1.767 13 residues pruned to eliminate duplicates F: 10 17.053 2.170 1.442 0.418 0.778 0.556 CA 1.503 9 residues pruned to eliminate duplicates G: 36 31.321 2.297 1.012 0.384 0.886 0.457 CB 1.463 36 residues pruned to eliminate duplicates H: 87 63.690 2.325 1.155 0.442 0.872 0.605 CB 1.669 88 residues pruned to eliminate duplicates I: 14 37.247 2.092 1.161 0.860 1.000 0.769 C 1.681 14 residues pruned to eliminate duplicates J: 55 43.351 2.281 0.880 0.509 0.870 0.519 CB 1.566 55 residues pruned to eliminate duplicates K: 51 48.288 2.395 0.994 0.500 0.880 0.640 CB 1.625 49 residues pruned to eliminate duplicates L: 7 18.988 2.499 0.850 0.646 0.833 0.833 CA 1.756 7 residues pruned to eliminate duplicates M: 16 45.530 2.385 1.236 0.898 0.867 0.600 CB 1.819 16 residues pruned to eliminate duplicates N: 11 15.800 2.053 0.959 0.517 0.800 0.700 CB 1.527 O: 22 41.189 2.561 1.268 0.443 0.857 0.667 CB 1.916 11 residues pruned to eliminate duplicates P: 25 34.455 2.421 1.151 0.478 0.833 0.792 CB 1.657 25 residues pruned to eliminate duplicates Q: 8 12.968 2.090 0.314 0.715 1.000 0.714 CB 1.469 R: 14 47.181 2.194 1.466 0.919 1.000 0.923 CA 1.705 14 residues pruned to eliminate duplicates S: 15 23.612 2.107 0.437 0.886 0.929 0.786 CB 1.620 15 residues pruned to eliminate duplicates T: 101 68.700 2.369 1.159 0.458 0.860 0.630 CB 1.630 98 residues pruned to eliminate duplicates U: 72 46.281 2.286 0.989 0.387 0.887 0.648 CB 1.535 73 residues pruned to eliminate duplicates V: 14 39.793 2.152 1.193 0.942 1.000 0.846 CB 1.622 14 residues pruned to eliminate duplicates W: 57 59.117 2.374 0.896 0.604 0.964 0.696 CB 1.650 57 residues pruned to eliminate duplicates X: 14 30.238 2.192 0.683 0.932 1.000 1.000 CB 1.588 14 residues pruned to eliminate duplicates Y: 12 19.375 2.146 0.993 0.595 0.818 0.545 CB 1.524 12 residues pruned to eliminate duplicates Z: 58 56.764 2.333 0.978 0.591 0.965 0.632 CB 1.548 58 residues pruned to eliminate duplicates Z: 17 38.055 2.319 0.945 0.819 0.938 0.750 CB 1.706 17 residues pruned to eliminate duplicates Z: 55 51.063 2.337 1.029 0.486 0.852 0.556 CB 1.745 25 residues pruned to eliminate duplicates Z: 16 26.477 2.098 0.604 0.918 0.933 0.867 CB 1.535 Z: 12 47.732 2.376 1.285 0.888 1.000 0.909 CA 1.911 12 residues pruned to eliminate duplicates Z: 76 70.033 2.440 1.103 0.495 0.933 0.627 CB 1.697 65 residues pruned to eliminate duplicates Z: 16 42.727 2.397 1.073 0.898 0.867 0.800 CB 1.832 16 residues pruned to eliminate duplicates Z: 17 30.363 2.302 1.277 0.509 0.875 0.812 CB 1.641 Z: 9 9.899 1.970 0.884 0.534 0.750 0.625 CA 1.216 9 residues pruned to eliminate duplicates Z: 79 70.107 2.400 1.076 0.532 0.936 0.654 CB 1.650 79 residues pruned to eliminate duplicates Z: 8 11.947 1.897 0.478 0.703 1.000 0.571 C 1.339 8 residues pruned to eliminate duplicates Z: 12 42.414 2.430 0.969 0.907 1.000 1.000 CA 1.900 12 residues pruned to eliminate duplicates Z: 106 56.032 2.231 0.939 0.439 0.867 0.610 CB 1.554 27 residues pruned to eliminate duplicates Z: 17 22.314 2.352 0.692 0.416 0.875 0.688 CA 1.750 Z: 42 55.484 2.480 1.117 0.533 0.902 0.561 CB 1.771 42 residues pruned to eliminate duplicates Z: 72 44.316 2.289 0.902 0.400 0.859 0.592 CB 1.563 72 residues pruned to eliminate duplicates Z: 57 55.310 2.326 1.036 0.593 0.946 0.661 CB 1.508 57 residues pruned to eliminate duplicates Z: 66 44.595 2.275 0.900 0.406 0.892 0.615 CB 1.582 66 residues pruned to eliminate duplicates Z: 32 39.602 2.354 1.090 0.539 0.935 0.613 CB 1.487 32 residues pruned to eliminate duplicates Z: 34 35.606 2.280 0.895 0.525 0.939 0.697 CB 1.489 34 residues pruned to eliminate duplicates Z: 31 43.718 2.412 1.006 0.557 0.967 0.733 CB 1.614 31 residues pruned to eliminate duplicates Z: 22 22.759 2.362 0.977 0.301 0.762 0.429 CB 1.744 22 residues pruned to eliminate duplicates Z: 14 26.039 2.228 0.497 0.907 1.000 0.923 CB 1.540 14 residues pruned to eliminate duplicates Z: 25 23.956 2.260 1.126 0.289 0.792 0.458 CB 1.629 25 residues pruned to eliminate duplicates Z: 17 38.117 2.243 0.935 0.847 0.938 0.625 CB 1.739 17 residues pruned to eliminate duplicates Z: 72 50.887 2.282 1.120 0.400 0.887 0.634 CB 1.562 72 residues pruned to eliminate duplicates Z: 88 61.271 2.328 1.123 0.457 0.897 0.621 CB 1.550 88 residues pruned to eliminate duplicates Z: 54 31.966 2.293 0.865 0.278 0.849 0.491 CB 1.553 54 residues pruned to eliminate duplicates Z: 7 16.719 2.356 0.923 0.448 0.833 0.500 CA 1.907 8 residues pruned to eliminate duplicates Z: 19 25.979 2.465 1.200 0.320 0.889 0.611 CB 1.550 19 residues pruned to eliminate duplicates Z: 14 33.938 2.200 0.872 0.934 1.000 1.000 CB 1.593 15 residues pruned to eliminate duplicates Z: 17 26.902 2.331 1.093 0.466 0.875 0.688 CB 1.632 17 residues pruned to eliminate duplicates Z: 53 51.943 2.433 1.039 0.480 0.904 0.538 CB 1.639 53 residues pruned to eliminate duplicates Z: 16 38.006 2.360 0.705 0.921 1.000 0.933 CA 1.716 16 residues pruned to eliminate duplicates Z: 13 40.776 2.239 1.144 0.928 1.000 0.917 CA 1.717 13 residues pruned to eliminate duplicates Z: 14 26.583 2.225 0.612 0.899 1.000 0.769 CB 1.469 14 residues pruned to eliminate duplicates Z: 58 46.295 2.332 1.071 0.437 0.877 0.544 CB 1.545 58 residues pruned to eliminate duplicates Z: 13 32.725 2.303 0.855 0.926 1.000 0.917 CB 1.550 14 residues pruned to eliminate duplicates Z: 80 59.831 2.306 1.177 0.401 0.911 0.633 CB 1.632 80 residues pruned to eliminate duplicates Z: 15 30.403 2.070 0.937 0.868 1.000 0.786 CB 1.481 15 residues pruned to eliminate duplicates Z: 16 25.708 2.335 0.899 0.460 0.867 0.733 CA 1.798 17 residues pruned to eliminate duplicates Z: 16 44.416 2.324 1.049 0.915 1.000 0.733 CB 1.702 16 residues pruned to eliminate duplicates Z: 14 27.406 2.234 0.457 0.916 1.000 0.846 CB 1.650 14 residues pruned to eliminate duplicates Z: 15 26.295 2.106 0.635 0.879 1.000 0.786 CB 1.480 15 residues pruned to eliminate duplicates Z: 64 54.587 2.283 1.141 0.437 0.921 0.683 CB 1.630 64 residues pruned to eliminate duplicates Z: 40 48.934 2.392 1.180 0.519 0.872 0.718 CB 1.693 40 residues pruned to eliminate duplicates Z: 10 15.151 1.913 0.415 0.847 0.889 0.778 CA 1.558 10 residues pruned to eliminate duplicates Z: 33 44.376 2.396 1.076 0.498 0.875 0.594 CB 1.805 33 residues pruned to eliminate duplicates Z: 74 44.045 2.255 0.936 0.372 0.877 0.589 CB 1.544 74 residues pruned to eliminate duplicates Z: 15 29.247 2.066 0.864 0.875 1.000 0.857 CB 1.476 15 residues pruned to eliminate duplicates Z: 13 35.825 2.362 0.868 0.933 1.000 0.917 CB 1.635 13 residues pruned to eliminate duplicates Z: 64 45.749 2.243 1.052 0.399 0.873 0.619 CB 1.596 64 residues pruned to eliminate duplicates Z: 17 30.380 2.286 0.573 0.885 0.938 0.688 CB 1.627 17 residues pruned to eliminate duplicates Z: 10 14.055 2.070 0.301 0.862 0.889 0.778 CA 1.437 10 residues pruned to eliminate duplicates Z: 14 29.340 2.224 0.722 0.888 1.000 0.846 CB 1.532 14 residues pruned to eliminate duplicates Z: 15 36.263 2.047 1.125 0.890 1.000 0.786 CB 1.603 14 residues pruned to eliminate duplicates Z: 9 18.036 2.140 0.417 0.856 1.000 0.750 CB 1.550 9 residues pruned to eliminate duplicates Z: 15 41.149 2.431 0.735 0.915 1.000 0.786 CB 1.843 15 residues pruned to eliminate duplicates Z: 9 22.620 2.207 1.387 0.504 0.875 0.750 CB 1.728 9 residues pruned to eliminate duplicates Z: 73 51.513 2.249 1.106 0.409 0.917 0.597 CB 1.539 73 residues pruned to eliminate duplicates Z: 9 18.474 2.124 0.725 0.828 0.875 0.875 CB 1.534 9 residues pruned to eliminate duplicates Z: 58 51.136 2.402 0.962 0.451 0.877 0.561 CB 1.723 58 residues pruned to eliminate duplicates Z: 54 55.643 2.392 0.956 0.562 0.981 0.566 CB 1.568 54 residues pruned to eliminate duplicates Z: 68 45.182 2.270 1.024 0.397 0.866 0.597 CB 1.548 68 residues pruned to eliminate duplicates Z: 15 25.802 2.098 0.547 0.891 1.000 0.786 CB 1.527 15 residues pruned to eliminate duplicates Z: 16 20.359 2.321 0.995 0.421 0.867 0.600 CB 1.423 16 residues pruned to eliminate duplicates Z: 87 67.619 2.330 1.203 0.471 0.907 0.605 CB 1.613 87 residues pruned to eliminate duplicates Z: 14 35.201 2.212 0.927 0.914 1.000 0.923 CB 1.619 15 residues pruned to eliminate duplicates Z: 12 45.439 2.363 1.190 0.901 1.000 0.636 CA 1.890 12 residues pruned to eliminate duplicates Z: 12 16.141 1.903 0.733 0.696 0.909 0.727 CB 1.358 12 residues pruned to eliminate duplicates Z: 20 13.373 1.973 0.550 0.354 0.789 0.421 CA 1.488 Z: 20 41.099 2.457 1.033 0.655 0.947 0.789 CB 1.725 20 residues pruned to eliminate duplicates Z: 73 51.858 2.295 1.102 0.400 0.903 0.653 CB 1.560 73 residues pruned to eliminate duplicates Z: 16 16.122 2.078 0.703 0.377 0.800 0.667 CA 1.676 20 residues pruned to eliminate duplicates Z: 7 14.450 1.837 0.746 0.735 1.000 0.667 CA 1.489 7 residues pruned to eliminate duplicates Z: 14 12.222 1.948 0.589 0.489 0.846 0.692 CB 1.308 8 residues pruned to eliminate duplicates Z: 27 26.526 2.309 1.044 0.410 0.846 0.692 CB 1.432 17 residues pruned to eliminate duplicates Z: 15 26.474 2.105 0.712 0.895 0.857 0.786 CB 1.642 15 residues pruned to eliminate duplicates Z: 15 42.669 2.455 0.678 0.914 1.000 0.929 CB 1.958 15 residues pruned to eliminate duplicates Z: 30 42.402 2.375 0.794 0.619 0.966 0.655 CB 1.711 30 residues pruned to eliminate duplicates Z: 13 10.548 2.058 0.869 0.317 0.583 0.417 CB 1.662 13 residues pruned to eliminate duplicates Z: 53 38.594 2.224 0.880 0.375 0.923 0.673 CB 1.584 53 residues pruned to eliminate duplicates Z: 12 23.060 2.147 1.001 0.590 0.909 0.727 CA 1.633 12 residues pruned to eliminate duplicates Z: 47 42.352 2.240 1.028 0.416 0.935 0.652 CB 1.605 47 residues pruned to eliminate duplicates Z: 15 26.378 2.112 0.545 0.909 1.000 1.000 CB 1.533 15 residues pruned to eliminate duplicates Z: 16 24.222 2.332 0.713 0.501 0.867 0.667 CA 1.804 16 residues pruned to eliminate duplicates Z: 10 20.057 2.187 1.024 0.578 1.000 0.889 CB 1.401 10 residues pruned to eliminate duplicates Z: 20 17.555 2.168 0.697 0.396 0.737 0.579 CB 1.659 20 residues pruned to eliminate duplicates Z: 16 40.177 2.372 0.912 0.883 0.933 0.733 CA 1.772 16 residues pruned to eliminate duplicates Z: 28 31.636 2.260 1.226 0.433 0.889 0.630 CB 1.459 28 residues pruned to eliminate duplicates Z: 66 53.944 2.358 0.851 0.512 0.923 0.615 CB 1.641 66 residues pruned to eliminate duplicates Z: 9 5.503 1.905 0.302 0.476 0.750 0.500 CB 1.072 9 residues pruned to eliminate duplicates Z: 75 44.214 2.234 0.855 0.384 0.892 0.541 CB 1.572 75 residues pruned to eliminate duplicates Z: 16 36.170 2.307 0.794 0.866 1.000 0.800 CB 1.652 16 residues pruned to eliminate duplicates Z: 52 38.464 2.253 1.014 0.354 0.922 0.549 CB 1.509 52 residues pruned to eliminate duplicates Z: 87 60.556 2.292 1.054 0.461 0.895 0.628 CB 1.613 87 residues pruned to eliminate duplicates Z: 28 20.207 2.073 0.822 0.294 0.778 0.593 CB 1.667 28 residues pruned to eliminate duplicates Z: 61 40.195 2.225 0.859 0.414 0.883 0.650 CB 1.554 61 residues pruned to eliminate duplicates Z: 17 39.500 2.255 0.958 0.881 0.938 0.812 CA 1.727 17 residues pruned to eliminate duplicates Z: 12 16.159 2.155 0.775 0.417 0.909 0.636 CB 1.528 12 residues pruned to eliminate duplicates Z: 53 40.612 2.261 1.015 0.405 0.865 0.596 CB 1.579 53 residues pruned to eliminate duplicates Z: 78 60.749 2.377 0.992 0.509 0.883 0.610 CB 1.640 78 residues pruned to eliminate duplicates Z: 19 19.725 2.197 1.030 0.421 0.833 0.667 CB 1.358 19 residues pruned to eliminate duplicates Z: 9 22.909 2.246 0.716 0.799 1.000 0.750 CB 1.618 9 residues pruned to eliminate duplicates Z: 52 52.628 2.372 1.124 0.500 0.882 0.627 CB 1.657 52 residues pruned to eliminate duplicates Z: 10 13.789 2.179 0.691 0.489 0.778 0.556 CB 1.623 10 residues pruned to eliminate duplicates Z: 32 34.961 2.347 0.919 0.540 0.968 0.710 CB 1.386 32 residues pruned to eliminate duplicates Z: 54 54.322 2.346 1.132 0.537 0.925 0.642 CB 1.556 54 residues pruned to eliminate duplicates Z: 14 14.726 2.191 0.599 0.365 0.846 0.538 CB 1.593 14 residues pruned to eliminate duplicates Z: 13 31.859 2.266 1.184 0.726 1.000 1.000 CB 1.516 21 residues pruned to eliminate duplicates Z: 6 12.521 2.022 0.595 0.730 1.000 1.000 CA 1.412 6 residues pruned to eliminate duplicates Z: 69 50.943 2.269 1.053 0.413 0.926 0.603 CB 1.568 69 residues pruned to eliminate duplicates Z: 16 41.769 2.339 1.049 0.908 0.933 0.800 CB 1.712 16 residues pruned to eliminate duplicates Z: 76 46.947 2.254 1.072 0.374 0.840 0.573 CB 1.581 76 residues pruned to eliminate duplicates Z: 18 36.438 2.312 1.053 0.643 0.882 0.765 CA 1.845 18 residues pruned to eliminate duplicates Z: 25 26.044 2.180 0.772 0.594 0.875 0.708 CB 1.437 25 residues pruned to eliminate duplicates Z: 12 20.158 1.865 0.471 0.931 1.000 1.000 CB 1.548 12 residues pruned to eliminate duplicates Z: 14 32.315 2.227 0.919 0.919 0.923 0.846 CB 1.601 14 residues pruned to eliminate duplicates Z: 16 18.496 2.150 0.838 0.439 0.800 0.733 CA 1.608 16 residues pruned to eliminate duplicates Z: 13 31.669 2.266 0.946 0.904 1.000 0.750 CB 1.477 13 residues pruned to eliminate duplicates Z: 21 31.127 2.214 0.791 0.690 0.950 0.700 CB 1.553 21 residues pruned to eliminate duplicates Z: 45 40.901 2.219 0.952 0.454 0.955 0.705 CB 1.563 45 residues pruned to eliminate duplicates Z: 28 22.865 1.930 0.531 0.575 0.889 0.704 CA 1.557 28 residues pruned to eliminate duplicates Z: 70 43.620 2.254 0.939 0.397 0.855 0.580 CB 1.566 70 residues pruned to eliminate duplicates Z: 61 54.008 2.282 1.153 0.464 0.900 0.683 CB 1.636 61 residues pruned to eliminate duplicates Z: 16 13.181 1.998 0.785 0.340 0.800 0.667 CA 1.420 16 residues pruned to eliminate duplicates Z: 15 36.217 2.108 1.191 0.884 0.929 0.857 CB 1.631 15 residues pruned to eliminate duplicates Z: 74 47.156 2.298 0.937 0.386 0.890 0.603 CB 1.571 74 residues pruned to eliminate duplicates Z: 12 15.213 1.825 0.227 0.894 1.000 0.909 CB 1.469 12 residues pruned to eliminate duplicates Z: 15 15.276 2.068 0.508 0.452 0.786 0.643 CB 1.749 15 residues pruned to eliminate duplicates Z: 68 44.474 2.283 0.933 0.399 0.881 0.642 CB 1.555 68 residues pruned to eliminate duplicates Z: 9 18.052 2.233 1.335 0.520 0.875 0.750 CB 1.371 9 residues pruned to eliminate duplicates Z: 16 46.509 2.370 1.225 0.904 0.933 0.667 CB 1.738 16 residues pruned to eliminate duplicates Z: 51 44.725 2.227 1.096 0.445 0.900 0.600 CB 1.594 51 residues pruned to eliminate duplicates Z: 14 29.554 2.171 1.038 0.890 1.000 0.846 CB 1.333 14 residues pruned to eliminate duplicates Z: 40 45.512 2.354 0.999 0.530 0.897 0.590 CB 1.676 40 residues pruned to eliminate duplicates Z: 13 11.407 2.075 0.508 0.421 0.833 0.667 CB 1.371 13 residues pruned to eliminate duplicates Z: 50 42.225 2.257 1.089 0.427 0.878 0.612 CB 1.572 50 residues pruned to eliminate duplicates Z: 12 18.330 2.162 0.882 0.458 0.909 0.818 CB 1.560 12 residues pruned to eliminate duplicates Z: 17 28.509 2.340 1.163 0.572 0.875 0.812 CB 1.501 17 residues pruned to eliminate duplicates Z: 104 59.203 2.219 1.050 0.444 0.913 0.621 CB 1.488 104 residues pruned to eliminate duplicates Z: 85 37.827 2.160 0.764 0.398 0.821 0.619 CB 1.469 85 residues pruned to eliminate duplicates Z: 67 44.071 2.211 0.763 0.482 0.894 0.606 CB 1.586 67 residues pruned to eliminate duplicates Z: 12 12.586 2.060 1.004 0.377 0.636 0.455 CB 1.648 12 residues pruned to eliminate duplicates Z: 15 29.399 2.092 0.861 0.871 1.000 0.857 CB 1.472 15 residues pruned to eliminate duplicates Z: 17 17.637 2.215 0.792 0.410 0.750 0.625 CB 1.627 17 residues pruned to eliminate duplicates Z: 29 41.907 2.378 0.887 0.638 0.929 0.714 CB 1.670 29 residues pruned to eliminate duplicates Z: 17 31.637 2.220 0.724 0.865 0.938 0.750 CB 1.615 17 residues pruned to eliminate duplicates Z: 7 14.189 2.138 0.644 0.666 1.000 0.833 CB 1.413 7 residues pruned to eliminate duplicates Z: 16 38.204 2.308 0.899 0.896 0.933 0.800 CA 1.727 16 residues pruned to eliminate duplicates Z: 9 9.797 1.841 0.527 0.598 0.875 0.625 CA 1.283 12 residues pruned to eliminate duplicates 6 1.472 1.681 0.947 0.297 0.600 0.600 CB 0.421 ? Z: 10 16.153 1.892 0.600 0.815 0.889 0.889 CA 1.521 10 residues pruned to eliminate duplicates Z: 63 40.913 2.178 0.882 0.423 0.919 0.548 CB 1.493 63 residues pruned to eliminate duplicates Z: 17 42.436 2.243 1.048 0.875 1.000 0.750 CB 1.680 17 residues pruned to eliminate duplicates Z: 11 22.948 2.004 0.689 0.911 1.000 0.800 CB 1.519 11 residues pruned to eliminate duplicates Z: 13 11.179 1.856 0.372 0.527 0.917 0.667 CA 1.347 13 residues pruned to eliminate duplicates Z: 68 42.814 2.267 0.883 0.396 0.866 0.552 CB 1.579 68 residues pruned to eliminate duplicates Z: 59 47.074 2.220 1.045 0.441 0.914 0.603 CB 1.584 59 residues pruned to eliminate duplicates Z: 11 16.200 1.905 0.592 0.847 1.000 0.800 CB 1.254 11 residues pruned to eliminate duplicates Z: 17 19.247 2.068 0.484 0.687 0.875 0.625 CB 1.509 17 residues pruned to eliminate duplicates Z: 52 48.152 2.376 1.012 0.511 0.882 0.490 CB 1.582 52 residues pruned to eliminate duplicates Z: 11 23.269 2.010 0.706 0.904 1.000 0.600 CB 1.528 11 residues pruned to eliminate duplicates Z: 6 2.910 1.617 0.268 0.299 0.600 0.400 CB 1.323 6 residues pruned to eliminate duplicates Z: 11 11.797 2.045 1.180 0.428 0.700 0.600 CB 1.288 11 residues pruned to eliminate duplicates Z: 70 43.393 2.240 0.989 0.375 0.884 0.594 CB 1.515 70 residues pruned to eliminate duplicates Z: 16 32.803 2.347 0.782 0.869 0.867 0.867 CA 1.707 16 residues pruned to eliminate duplicates Z: 10 25.078 2.079 0.882 0.897 1.000 1.000 CA 1.530 10 residues pruned to eliminate duplicates Z: 12 21.763 1.866 0.691 0.936 1.000 1.000 CB 1.449 12 residues pruned to eliminate duplicates Z: 16 44.673 2.364 1.051 0.943 0.933 0.467 CB 1.766 16 residues pruned to eliminate duplicates Z: 32 38.867 2.400 0.985 0.493 0.903 0.710 CB 1.634 32 residues pruned to eliminate duplicates Z: 12 17.125 2.156 0.607 0.647 1.000 0.455 CB 1.300 12 residues pruned to eliminate duplicates Z: 12 22.801 1.873 0.682 0.924 1.000 0.909 CB 1.532 12 residues pruned to eliminate duplicates Z: 79 55.967 2.208 1.022 0.511 0.923 0.679 CB 1.521 79 residues pruned to eliminate duplicates Z: 17 36.528 2.262 0.802 0.892 0.938 0.938 CB 1.716 17 residues pruned to eliminate duplicates Z: 11 16.233 1.984 0.193 0.909 1.000 0.900 CB 1.540 11 residues pruned to eliminate duplicates Z: 11 22.417 2.000 0.718 0.908 1.000 0.800 CB 1.465 11 residues pruned to eliminate duplicates Z: 9 12.927 2.228 0.835 0.674 0.750 0.500 CB 1.270 9 residues pruned to eliminate duplicates Z: 7 12.960 2.060 0.378 0.741 1.000 0.667 CB 1.502 7 residues pruned to eliminate duplicates Z: 11 30.618 2.187 1.511 0.624 1.000 0.800 CB 1.568 11 residues pruned to eliminate duplicates Z: 12 6.812 1.856 0.285 0.339 0.727 0.545 CB 1.411 12 residues pruned to eliminate duplicates Z: 11 15.621 1.993 0.121 0.908 1.000 1.000 CB 1.570 11 residues pruned to eliminate duplicates Z: 16 15.554 2.183 0.827 0.360 0.933 0.533 CB 1.254 16 residues pruned to eliminate duplicates Z: 26 22.605 2.238 0.744 0.350 0.880 0.600 CB 1.548 26 residues pruned to eliminate duplicates Z: 6 3.968 1.801 0.790 0.343 0.800 0.600 CB 0.816 6 residues pruned to eliminate duplicates Z: 83 59.807 2.307 1.028 0.482 0.878 0.610 CB 1.636 83 residues pruned to eliminate duplicates Z: 60 47.637 2.250 0.992 0.426 0.915 0.627 CB 1.632 60 residues pruned to eliminate duplicates Z: 8 10.822 2.109 0.645 0.267 1.000 0.857 CA 1.538 8 residues pruned to eliminate duplicates Z: 17 31.489 2.239 0.653 0.907 0.938 0.875 CB 1.613 17 residues pruned to eliminate duplicates Z: 12 22.252 1.868 0.827 0.888 1.000 0.727 CB 1.416 12 residues pruned to eliminate duplicates Z: 37 42.276 2.378 0.821 0.529 0.944 0.639 CB 1.673 37 residues pruned to eliminate duplicates Z: 7 15.675 2.127 1.067 0.722 0.833 0.833 CA 1.429 7 residues pruned to eliminate duplicates Z: 20 43.508 2.445 1.366 0.685 0.842 0.737 CB 1.729 20 residues pruned to eliminate duplicates Z: 7 12.124 1.937 1.205 0.565 0.833 0.500 CB 1.306 7 residues pruned to eliminate duplicates Z: 12 9.220 1.815 0.535 0.426 0.727 0.727 C 1.482 12 residues pruned to eliminate duplicates Z: 68 41.548 2.266 0.902 0.377 0.836 0.627 CB 1.605 68 residues pruned to eliminate duplicates Z: 15 26.161 2.077 0.795 0.875 0.929 0.643 CB 1.469 15 residues pruned to eliminate duplicates Z: 13 19.737 2.238 0.738 0.609 1.000 0.500 CB 1.321 13 residues pruned to eliminate duplicates Z: 14 31.750 2.158 0.976 0.943 0.923 0.692 CB 1.550 14 residues pruned to eliminate duplicates Z: 20 15.250 1.886 0.728 0.314 0.842 0.579 CB 1.565 17 residues pruned to eliminate duplicates Z: 6 8.424 1.874 0.112 0.754 1.000 1.000 CA 1.442 6 residues pruned to eliminate duplicates Z: 13 38.477 2.173 1.232 0.869 1.000 0.833 CA 1.672 13 residues pruned to eliminate duplicates Z: 43 49.327 2.388 0.941 0.544 0.905 0.595 CB 1.739 43 residues pruned to eliminate duplicates Z: 13 12.758 2.057 0.791 0.347 0.833 0.417 CB 1.415 13 residues pruned to eliminate duplicates Z: 36 32.038 2.296 0.897 0.410 0.857 0.457 CB 1.594 36 residues pruned to eliminate duplicates Z: 53 34.079 2.198 0.930 0.371 0.846 0.596 CB 1.512 53 residues pruned to eliminate duplicates Z: 104 56.484 2.277 0.861 0.423 0.883 0.553 CB 1.611 104 residues pruned to eliminate duplicates Z: 37 31.769 2.214 1.067 0.357 0.806 0.389 CB 1.676 37 residues pruned to eliminate duplicates Z: 10 9.476 1.741 0.715 0.481 0.778 0.444 CB 1.385 7 residues pruned to eliminate duplicates Z: 12 17.050 2.117 1.249 0.427 0.727 0.636 CB 1.602 12 residues pruned to eliminate duplicates Z: 6 5.455 1.715 0.122 0.769 1.000 0.600 CA 0.999 6 residues pruned to eliminate duplicates Z: 20 21.615 2.198 1.110 0.407 0.895 0.632 CB 1.317 20 residues pruned to eliminate duplicates Z: 84 49.528 2.248 0.978 0.394 0.867 0.602 CB 1.577 84 residues pruned to eliminate duplicates Z: 6 9.120 1.912 0.749 0.521 1.000 0.600 CA 1.195 6 residues pruned to eliminate duplicates Z: 15 33.650 2.080 1.075 0.891 0.929 0.857 CB 1.613 14 residues pruned to eliminate duplicates Z: 67 57.072 2.388 1.175 0.499 0.864 0.561 CB 1.568 67 residues pruned to eliminate duplicates Z: 10 16.317 1.938 0.433 0.874 1.000 0.889 CB 1.426 10 residues pruned to eliminate duplicates Z: 23 19.123 2.169 0.618 0.409 0.864 0.455 CB 1.481 23 residues pruned to eliminate duplicates Z: 7 21.568 2.240 1.315 0.665 1.000 0.833 CB 1.458 7 residues pruned to eliminate duplicates Z: 14 27.580 2.119 0.945 0.898 1.000 0.692 CB 1.328 13 residues pruned to eliminate duplicates Z: 8 3.983 1.735 0.471 0.579 0.714 0.571 CB 0.765 8 residues pruned to eliminate duplicates Z: 10 28.640 2.141 1.022 0.795 1.000 0.778 CB 1.703 10 residues pruned to eliminate duplicates Z: 13 17.491 2.129 1.087 0.424 0.833 0.583 CB 1.476 13 residues pruned to eliminate duplicates Z: 21 34.020 2.326 1.163 0.513 0.900 0.600 CB 1.659 21 residues pruned to eliminate duplicates Z: 9 11.982 1.922 0.979 0.369 0.875 0.375 CB 1.465 9 residues pruned to eliminate duplicates Z: 7 11.604 2.142 1.030 0.512 0.667 0.500 CA 1.615 7 residues pruned to eliminate duplicates Z: 7 3.611 1.547 0.283 0.369 0.667 0.333 CA 1.282 Z: 16 34.081 2.280 0.704 0.892 0.933 0.733 CB 1.743 16 residues pruned to eliminate duplicates Z: 6 4.847 1.460 0.231 0.600 1.000 0.800 C 1.096 6 residues pruned to eliminate duplicates Z: 16 20.747 2.214 1.167 0.351 0.867 0.467 CB 1.514 16 residues pruned to eliminate duplicates Z: 14 11.140 2.025 0.608 0.436 0.769 0.385 CB 1.318 14 residues pruned to eliminate duplicates Z: 8 13.596 2.022 0.625 0.608 0.857 0.429 CB 1.647 8 residues pruned to eliminate duplicates Z: 28 39.336 2.343 0.921 0.612 0.963 0.667 CB 1.572 28 residues pruned to eliminate duplicates Z: 16 47.440 2.358 0.963 0.928 1.000 0.667 CA 1.854 16 residues pruned to eliminate duplicates Z: 72 68.044 2.415 1.082 0.537 0.944 0.690 CB 1.642 72 residues pruned to eliminate duplicates Z: 11 16.667 2.225 0.948 0.347 0.900 0.500 CB 1.595 11 residues pruned to eliminate duplicates Z: 14 35.179 2.208 0.968 0.909 1.000 0.769 CB 1.594 15 residues pruned to eliminate duplicates Z: 33 43.748 2.317 0.994 0.618 0.938 0.656 CB 1.597 33 residues pruned to eliminate duplicates Z: 20 19.979 2.238 1.060 0.352 0.737 0.421 CB 1.584 20 residues pruned to eliminate duplicates Z: 22 11.588 1.767 0.602 0.388 0.857 0.524 CB 1.174 22 residues pruned to eliminate duplicates Z: 88 46.803 2.244 0.829 0.423 0.862 0.598 CB 1.536 88 residues pruned to eliminate duplicates Z: 11 24.412 2.001 0.785 0.934 1.000 0.800 CB 1.508 11 residues pruned to eliminate duplicates Z: 23 45.658 2.445 1.374 0.574 0.864 0.727 CB 1.808 23 residues pruned to eliminate duplicates Z: 8 17.584 2.173 1.142 0.538 0.857 0.429 CB 1.605 8 residues pruned to eliminate duplicates Z: 14 34.198 2.212 0.935 0.916 0.923 0.923 CB 1.696 14 residues pruned to eliminate duplicates Z: 59 49.567 2.294 0.857 0.525 0.931 0.655 CB 1.601 59 residues pruned to eliminate duplicates Z: 23 37.478 2.380 1.009 0.625 0.864 0.682 CB 1.719 23 residues pruned to eliminate duplicates Z: 12 23.330 1.841 0.838 0.917 1.000 0.727 CB 1.467 12 residues pruned to eliminate duplicates Z: 75 57.577 2.253 0.962 0.484 0.919 0.622 CB 1.674 75 residues pruned to eliminate duplicates Z: 12 11.149 1.920 0.852 0.469 0.818 0.455 CB 1.192 12 residues pruned to eliminate duplicates Z: 10 18.865 2.133 0.552 0.789 1.000 0.778 CB 1.474 10 residues pruned to eliminate duplicates Z: 44 35.467 2.318 0.708 0.470 0.930 0.651 CB 1.514 44 residues pruned to eliminate duplicates Z: 22 23.840 2.367 0.696 0.401 0.810 0.619 CB 1.777 22 residues pruned to eliminate duplicates Z: 7 8.333 1.663 0.472 0.678 0.833 0.833 C 1.416 7 residues pruned to eliminate duplicates Z: 8 8.330 2.037 0.539 0.360 0.714 0.571 CA 1.635 8 residues pruned to eliminate duplicates Z: 75 55.038 2.295 1.128 0.404 0.905 0.608 CB 1.600 75 residues pruned to eliminate duplicates Z: 14 17.053 2.224 0.705 0.476 0.769 0.692 CB 1.661 14 residues pruned to eliminate duplicates Z: 14 27.047 2.203 0.571 0.900 1.000 0.846 CB 1.548 14 residues pruned to eliminate duplicates Z: 18 16.175 2.237 0.780 0.359 0.765 0.647 CB 1.500 18 residues pruned to eliminate duplicates Z: 31 36.540 2.382 1.041 0.434 0.833 0.600 CB 1.763 35 residues pruned to eliminate duplicates Z: 16 29.376 2.277 0.538 0.805 1.000 0.867 CB 1.659 16 residues pruned to eliminate duplicates Z: 23 42.352 2.273 1.177 0.645 0.909 0.591 CB 1.753 35 residues pruned to eliminate duplicates Z: 13 17.730 2.058 1.082 0.523 0.833 0.500 CA 1.402 13 residues pruned to eliminate duplicates Z: 10 17.782 1.865 0.649 0.859 0.889 0.889 CB 1.596 10 residues pruned to eliminate duplicates Z: 75 45.693 2.260 0.984 0.371 0.878 0.581 CB 1.549 75 residues pruned to eliminate duplicates Z: 17 35.186 2.339 1.355 0.564 0.938 0.812 CB 1.601 17 residues pruned to eliminate duplicates Z: 6 8.793 1.811 0.639 0.609 0.800 0.800 C 1.494 6 residues pruned to eliminate duplicates Z: 30 31.893 2.193 0.882 0.538 0.931 0.586 CB 1.484 30 residues pruned to eliminate duplicates Z: 73 61.321 2.334 0.927 0.533 0.944 0.597 CB 1.647 73 residues pruned to eliminate duplicates Z: 12 19.643 1.846 0.660 0.890 1.000 0.636 CB 1.391 12 residues pruned to eliminate duplicates Z: 11 16.467 2.063 1.288 0.407 0.800 0.600 CA 1.520 11 residues pruned to eliminate duplicates Z: 7 3.030 1.529 0.360 0.357 0.667 0.333 CA 1.041 7 residues pruned to eliminate duplicates Z: 94 71.957 2.432 1.043 0.498 0.903 0.656 CB 1.666 94 residues pruned to eliminate duplicates Z: 10 11.777 1.828 0.950 0.404 0.889 0.333 CB 1.370 10 residues pruned to eliminate duplicates Z: 26 15.726 1.857 0.588 0.407 0.840 0.640 CB 1.400 26 residues pruned to eliminate duplicates Z: 13 32.087 2.296 0.877 0.947 1.000 0.917 CB 1.486 13 residues pruned to eliminate duplicates Z: 16 30.881 2.269 0.611 0.885 0.933 0.733 CB 1.688 16 residues pruned to eliminate duplicates Z: 8 8.547 1.683 0.596 0.621 1.000 0.429 CB 1.072 8 residues pruned to eliminate duplicates Z: 13 7.295 1.834 0.176 0.476 0.917 0.667 CB 1.092 13 residues pruned to eliminate duplicates Z: 38 42.380 2.304 1.043 0.481 0.946 0.595 CB 1.596 38 residues pruned to eliminate duplicates Z: 10 31.332 2.167 1.059 0.848 1.000 0.778 CB 1.736 10 residues pruned to eliminate duplicates Z: 50 41.439 2.194 0.926 0.405 0.959 0.571 CB 1.615 50 residues pruned to eliminate duplicates Z: 11 23.621 1.961 0.838 0.907 1.000 0.500 CB 1.472 11 residues pruned to eliminate duplicates Z: 59 51.955 2.265 1.013 0.452 0.966 0.534 CB 1.627 59 residues pruned to eliminate duplicates Z: 88 59.043 2.302 1.063 0.441 0.885 0.563 CB 1.600 88 residues pruned to eliminate duplicates Z: 10 20.282 2.059 0.551 0.917 1.000 1.000 CA 1.495 10 residues pruned to eliminate duplicates Z: 10 10.976 1.926 0.859 0.449 0.889 0.667 CA 1.211 10 residues pruned to eliminate duplicates Z: 45 38.736 2.188 0.931 0.454 0.955 0.682 CB 1.518 45 residues pruned to eliminate duplicates Z: 12 26.939 2.247 0.852 0.836 0.818 0.182 CA 1.786 12 residues pruned to eliminate duplicates Z: 12 7.372 1.837 0.576 0.304 0.636 0.364 CB 1.500 12 residues pruned to eliminate duplicates Z: 6 7.212 2.000 0.820 0.569 0.800 0.600 N 1.036 Z: 20 34.799 2.329 0.769 0.688 1.000 0.737 CB 1.631 20 residues pruned to eliminate duplicates Z: 25 19.132 1.985 0.715 0.308 0.917 0.500 CB 1.549 25 residues pruned to eliminate duplicates Z: 144 75.944 2.325 0.936 0.439 0.916 0.601 CB 1.640 144 residues pruned to eliminate duplicates Z: 9 22.317 2.309 1.165 0.599 0.875 0.500 CB 1.641 Z: 15 24.768 2.186 1.036 0.453 0.929 0.429 CB 1.680 15 residues pruned to eliminate duplicates Z: 8 4.803 1.565 0.616 0.442 0.857 0.286 CA 0.889 8 residues pruned to eliminate duplicates Z: 49 45.002 2.229 0.968 0.443 0.938 0.625 CB 1.674 49 residues pruned to eliminate duplicates Z: 17 18.673 2.078 0.622 0.435 0.875 0.750 CB 1.692 17 residues pruned to eliminate duplicates Z: 40 33.611 2.197 1.046 0.401 0.897 0.538 CB 1.481 40 residues pruned to eliminate duplicates Z: 10 8.944 2.206 0.717 0.200 0.778 0.444 CB 1.446 10 residues pruned to eliminate duplicates Z: 10 18.218 2.117 0.661 0.734 0.889 0.889 CB 1.575 10 residues pruned to eliminate duplicates Z: 13 25.276 2.210 1.352 0.367 1.000 0.750 CB 1.618 13 residues pruned to eliminate duplicates Z: 68 46.675 2.298 1.016 0.410 0.866 0.597 CB 1.562 68 residues pruned to eliminate duplicates Z: 33 19.703 2.036 0.770 0.391 0.750 0.594 CB 1.446 33 residues pruned to eliminate duplicates Z: 24 34.700 2.226 0.930 0.632 0.913 0.826 CB 1.629 24 residues pruned to eliminate duplicates Z: 17 21.707 2.144 1.049 0.637 0.750 0.750 CB 1.448 17 residues pruned to eliminate duplicates Z: 13 12.597 2.148 0.959 0.284 0.917 0.500 CB 1.202 13 residues pruned to eliminate duplicates Z: 6 20.749 2.226 1.268 0.630 1.000 0.800 CB 1.626 6 residues pruned to eliminate duplicates Z: 10 18.652 2.102 0.700 0.823 1.000 0.667 CB 1.315 10 residues pruned to eliminate duplicates Z: 52 45.078 2.267 1.002 0.416 0.941 0.627 CB 1.613 52 residues pruned to eliminate duplicates Z: 23 24.794 2.309 0.863 0.340 0.818 0.409 CB 1.787 23 residues pruned to eliminate duplicates Z: 11 27.983 2.088 1.041 0.891 1.000 0.700 CB 1.493 11 residues pruned to eliminate duplicates Z: 11 18.644 2.247 0.974 0.419 1.000 0.700 CB 1.446 11 residues pruned to eliminate duplicates Z: 28 26.811 2.374 0.892 0.398 0.778 0.481 CB 1.646 28 residues pruned to eliminate duplicates Z: 6 5.066 1.725 0.261 0.726 0.800 0.800 CA 1.062 6 residues pruned to eliminate duplicates Z: 13 14.296 1.962 0.914 0.499 0.833 0.583 CB 1.320 13 residues pruned to eliminate duplicates Z: 48 49.468 2.378 1.042 0.520 0.915 0.638 CB 1.592 48 residues pruned to eliminate duplicates Z: 64 49.566 2.385 1.053 0.442 0.857 0.619 CB 1.580 64 residues pruned to eliminate duplicates Z: 23 31.942 2.205 1.230 0.538 0.864 0.727 CB 1.544 23 residues pruned to eliminate duplicates Z: 43 41.686 2.305 1.025 0.470 0.881 0.619 CB 1.612 43 residues pruned to eliminate duplicates Z: 12 18.304 2.102 1.279 0.436 0.818 0.818 CB 1.504 12 residues pruned to eliminate duplicates Z: 9 12.339 2.132 0.704 0.365 1.000 0.375 CB 1.388 9 residues pruned to eliminate duplicates Z: 11 9.509 1.638 0.890 0.541 0.900 0.500 N 1.037 Z: 47 49.656 2.392 1.051 0.494 0.957 0.565 CB 1.569 47 residues pruned to eliminate duplicates Z: 25 48.881 2.396 1.117 0.678 1.000 0.583 CB 1.670 25 residues pruned to eliminate duplicates Z: 6 8.779 2.024 0.280 0.497 1.000 0.800 CB 1.520 6 residues pruned to eliminate duplicates Z: 9 4.722 1.847 0.159 0.406 0.750 0.500 CB 1.147 9 residues pruned to eliminate duplicates Z: 20 24.498 2.277 1.049 0.394 0.789 0.579 CA 1.708 20 residues pruned to eliminate duplicates Z: 31 32.787 2.245 1.092 0.464 0.833 0.633 CB 1.587 31 residues pruned to eliminate duplicates Z: 15 24.089 2.247 1.167 0.392 0.857 0.643 CB 1.728 15 residues pruned to eliminate duplicates Z: 47 49.192 2.375 1.137 0.451 0.957 0.565 CB 1.572 47 residues pruned to eliminate duplicates Z: 18 33.912 2.321 1.173 0.520 1.000 0.412 CB 1.598 18 residues pruned to eliminate duplicates Z: 23 21.268 2.122 1.310 0.267 0.818 0.545 CB 1.474 23 residues pruned to eliminate duplicates Z: 14 19.764 1.918 1.116 0.472 0.923 0.769 CA 1.505 13 residues pruned to eliminate duplicates Z: 13 16.301 2.298 0.723 0.361 0.917 0.667 CB 1.506 13 residues pruned to eliminate duplicates Z: 76 56.799 2.290 1.004 0.448 0.907 0.640 CB 1.663 76 residues pruned to eliminate duplicates Z: 6 2.954 1.379 1.197 0.618 0.800 0.600 CB 0.488 Z: 6 14.130 1.999 0.679 0.797 1.000 1.000 CA 1.452 6 residues pruned to eliminate duplicates Z: 10 20.766 1.993 0.729 0.931 1.000 0.778 CB 1.404 10 residues pruned to eliminate duplicates Z: 15 22.106 2.392 1.080 0.413 0.786 0.571 CB 1.656 15 residues pruned to eliminate duplicates Z: 16 15.873 2.125 0.788 0.278 0.867 0.667 CB 1.599 16 residues pruned to eliminate duplicates Z: 19 41.227 2.433 0.910 0.690 1.000 0.833 CB 1.757 19 residues pruned to eliminate duplicates Z: 27 16.521 2.134 0.676 0.325 0.808 0.500 CB 1.360 27 residues pruned to eliminate duplicates Z: 6 2.272 1.642 -0.052 0.219 0.800 0.600 N 1.135 Z: 28 24.008 2.121 0.849 0.353 0.815 0.519 CB 1.695 28 residues pruned to eliminate duplicates Z: 76 53.003 2.252 1.013 0.425 0.880 0.613 CB 1.659 76 residues pruned to eliminate duplicates Z: 65 42.003 2.246 0.893 0.413 0.891 0.594 CB 1.518 65 residues pruned to eliminate duplicates Z: 10 7.703 1.886 0.360 0.385 0.778 0.556 CB 1.455 10 residues pruned to eliminate duplicates Z: 24 31.656 2.330 1.236 0.322 0.957 0.652 CB 1.611 24 residues pruned to eliminate duplicates Z: 30 31.341 2.202 0.692 0.575 0.862 0.690 CB 1.686 30 residues pruned to eliminate duplicates Z: 17 13.552 1.910 0.899 0.322 0.875 0.562 CB 1.298 17 residues pruned to eliminate duplicates Z: 13 20.027 2.137 1.158 0.549 0.917 0.917 CB 1.304 13 residues pruned to eliminate duplicates Z: 16 23.694 2.307 1.097 0.382 0.800 0.667 CA 1.791 16 residues pruned to eliminate duplicates Z: 14 23.915 2.292 0.995 0.563 0.846 0.846 CB 1.613 14 residues pruned to eliminate duplicates Z: 7 13.547 1.990 0.934 0.740 1.000 0.500 CA 1.159 7 residues pruned to eliminate duplicates Z: 7 2.599 1.646 0.003 0.265 0.667 0.333 O 1.259 Z: 48 41.806 2.310 0.903 0.408 0.915 0.574 CB 1.671 48 residues pruned to eliminate duplicates Z: 10 26.276 2.227 0.899 0.813 1.000 0.889 CB 1.578 10 residues pruned to eliminate duplicates Z: 63 45.343 2.212 0.980 0.419 0.919 0.645 CB 1.556 63 residues pruned to eliminate duplicates Z: 7 11.655 2.015 0.260 0.692 1.000 0.833 CB 1.571 7 residues pruned to eliminate duplicates Z: 72 46.929 2.263 1.045 0.394 0.873 0.634 CB 1.540 72 residues pruned to eliminate duplicates Z: 15 21.924 2.415 0.590 0.471 0.857 0.571 CB 1.834 Z: 20 27.630 2.313 1.128 0.361 0.947 0.632 CB 1.578 20 residues pruned to eliminate duplicates Z: 12 45.601 2.549 1.298 0.699 1.000 0.818 CA 1.957 12 residues pruned to eliminate duplicates Z: 45 35.645 2.204 1.038 0.431 0.864 0.636 CB 1.488 45 residues pruned to eliminate duplicates Z: 16 24.391 2.263 1.023 0.505 0.933 0.733 CB 1.467 10 residues pruned to eliminate duplicates Z: 14 40.079 2.097 1.379 0.893 1.000 0.769 CB 1.599 14 residues pruned to eliminate duplicates Z: 16 21.748 2.019 0.713 0.759 0.933 0.733 CB 1.381 16 residues pruned to eliminate duplicates Z: 39 36.624 2.232 1.013 0.446 0.921 0.579 CB 1.518 39 residues pruned to eliminate duplicates Z: 38 29.006 2.160 0.971 0.389 0.838 0.514 CB 1.504 38 residues pruned to eliminate duplicates Z: 21 32.111 2.181 0.783 0.693 1.000 0.800 CB 1.548 21 residues pruned to eliminate duplicates Z: 7 4.071 1.217 0.498 0.715 0.833 0.500 CB 0.900 7 residues pruned to eliminate duplicates Z: 13 10.721 1.953 0.522 0.505 0.917 0.417 CB 1.130 13 residues pruned to eliminate duplicates Z: 9 17.888 1.936 0.636 0.722 1.000 0.500 CB 1.634 9 residues pruned to eliminate duplicates Z: 15 28.923 2.091 0.748 0.879 1.000 1.000 CB 1.533 15 residues pruned to eliminate duplicates Z: 14 15.315 2.038 0.547 0.576 0.846 0.615 CB 1.480 14 residues pruned to eliminate duplicates Z: 35 41.277 2.271 1.124 0.484 0.971 0.618 CB 1.536 35 residues pruned to eliminate duplicates Z: 33 22.512 2.048 0.835 0.272 0.906 0.594 CB 1.514 33 residues pruned to eliminate duplicates 393 residues left after pruning, divided into chains as follows: A: 167 B: 10 C: 15 D: 201 CC for partial structure against native data = 44.37 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.528, Connect. = 0.765 for dens.mod. cycle 1 = 0.300, Contrast = 0.612, Connect. = 0.795 for dens.mod. cycle 2 = 0.300, Contrast = 0.730, Connect. = 0.819 for dens.mod. cycle 3 = 0.300, Contrast = 0.745, Connect. = 0.822 for dens.mod. cycle 4 = 0.300, Contrast = 0.760, Connect. = 0.824 for dens.mod. cycle 5 = 0.300, Contrast = 0.766, Connect. = 0.826 for dens.mod. cycle 6 = 0.300, Contrast = 0.772, Connect. = 0.827 for dens.mod. cycle 7 = 0.300, Contrast = 0.774, Connect. = 0.827 for dens.mod. cycle 8 = 0.300, Contrast = 0.777, Connect. = 0.828 for dens.mod. cycle 9 = 0.300, Contrast = 0.777, Connect. = 0.828 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2570 peaks > 0.5 sigma used to seed fragment search Space for about 560 unique residues taking solvent into account 595 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 44 39.541 2.341 0.750 0.480 0.930 0.488 CB 1.615 B: 15 41.630 2.509 1.724 0.516 0.857 0.786 CB 1.870 6 residues pruned to eliminate duplicates C: 13 35.496 2.305 1.165 0.847 0.917 0.833 CB 1.663 D: 12 46.811 2.503 1.109 0.885 1.000 0.818 CA 1.930 13 residues pruned to eliminate duplicates E: 13 34.288 2.352 0.866 0.807 0.917 0.750 CA 1.882 13 residues pruned to eliminate duplicates F: 13 38.029 2.296 1.122 0.807 0.917 0.750 CA 1.880 13 residues pruned to eliminate duplicates G: 10 13.136 2.311 0.909 0.356 0.667 0.556 CA 1.740 10 residues pruned to eliminate duplicates H: 29 42.249 2.377 1.265 0.536 0.786 0.714 CB 1.821 19 residues pruned to eliminate duplicates I: 80 63.622 2.463 0.891 0.495 0.886 0.633 CB 1.744 55 residues pruned to eliminate duplicates J: 13 26.801 2.340 0.543 0.888 0.917 0.750 CB 1.684 13 residues pruned to eliminate duplicates K: 78 61.502 2.468 0.801 0.519 0.870 0.675 CB 1.778 78 residues pruned to eliminate duplicates L: 13 37.671 2.280 1.146 0.798 0.917 0.750 CA 1.868 13 residues pruned to eliminate duplicates M: 15 46.639 2.459 1.060 0.935 0.929 0.786 CB 1.847 15 residues pruned to eliminate duplicates N: 69 63.652 2.423 0.997 0.469 0.941 0.618 CB 1.750 16 residues pruned to eliminate duplicates O: 7 10.012 2.248 0.327 0.677 0.833 0.667 CB 1.398 P: 16 45.994 2.444 1.105 0.871 0.933 0.733 CB 1.804 16 residues pruned to eliminate duplicates Q: 22 34.734 2.525 1.248 0.385 0.857 0.571 CB 1.759 22 residues pruned to eliminate duplicates R: 50 41.429 2.288 0.810 0.427 0.898 0.531 CB 1.717 50 residues pruned to eliminate duplicates S: 20 39.543 2.364 1.312 0.511 0.947 0.684 CB 1.733 9 residues pruned to eliminate duplicates T: 6 19.345 2.534 0.795 0.618 1.000 0.800 CA 1.700 6 residues pruned to eliminate duplicates U: 16 48.640 2.314 1.138 0.917 1.000 0.600 CB 1.791 16 residues pruned to eliminate duplicates V: 13 43.652 2.315 1.075 0.907 1.000 0.833 CA 1.864 13 residues pruned to eliminate duplicates W: 13 27.263 2.367 0.369 0.944 1.000 1.000 CB 1.683 X: 13 28.824 2.376 0.466 0.925 1.000 0.917 CB 1.676 13 residues pruned to eliminate duplicates Y: 13 15.671 2.179 1.327 0.436 0.667 0.583 CB 1.429 13 residues pruned to eliminate duplicates Z: 16 40.987 2.447 0.798 0.886 0.933 0.933 CB 1.859 16 residues pruned to eliminate duplicates Z: 45 49.780 2.474 0.874 0.503 0.886 0.568 CB 1.822 Z: 16 51.965 2.462 1.164 0.898 0.933 0.733 CA 1.930 17 residues pruned to eliminate duplicates Z: 7 14.095 2.057 1.337 0.607 0.667 0.667 CA 1.621 Z: 13 45.978 2.330 1.226 0.924 1.000 0.750 CA 1.797 13 residues pruned to eliminate duplicates Z: 22 29.824 2.285 1.239 0.468 0.857 0.762 CB 1.533 Z: 52 53.225 2.442 0.992 0.515 0.824 0.588 CB 1.834 54 residues pruned to eliminate duplicates Z: 17 39.080 2.403 1.057 0.851 0.812 0.750 CB 1.800 17 residues pruned to eliminate duplicates Z: 73 50.084 2.337 0.743 0.474 0.889 0.569 CB 1.674 73 residues pruned to eliminate duplicates Z: 16 41.649 2.404 0.806 0.872 0.933 0.733 CB 1.935 16 residues pruned to eliminate duplicates Z: 48 44.922 2.364 0.775 0.493 0.936 0.596 CB 1.680 48 residues pruned to eliminate duplicates Z: 17 38.660 2.290 0.952 0.844 0.938 0.750 CB 1.717 17 residues pruned to eliminate duplicates Z: 52 55.157 2.420 0.932 0.504 0.882 0.529 CB 1.865 51 residues pruned to eliminate duplicates Z: 12 15.930 2.037 0.572 0.495 0.909 0.727 CA 1.657 13 residues pruned to eliminate duplicates Z: 16 38.777 2.366 0.806 0.906 0.933 0.667 CB 1.786 16 residues pruned to eliminate duplicates Z: 8 14.943 2.059 0.727 0.522 1.000 0.571 CA 1.554 8 residues pruned to eliminate duplicates Z: 27 18.234 2.146 0.897 0.271 0.769 0.462 CB 1.481 27 residues pruned to eliminate duplicates Z: 12 16.611 2.430 0.902 0.354 1.000 0.727 CB 1.269 Z: 16 19.490 2.059 0.134 0.893 1.000 0.733 CB 1.547 14 residues pruned to eliminate duplicates Z: 49 59.259 2.512 0.963 0.523 0.896 0.458 CB 1.893 52 residues pruned to eliminate duplicates Z: 17 41.009 2.287 1.070 0.889 0.875 0.625 CA 1.782 17 residues pruned to eliminate duplicates Z: 71 48.600 2.374 0.892 0.382 0.900 0.614 CB 1.630 56 residues pruned to eliminate duplicates Z: 7 8.838 2.052 0.468 0.716 0.833 0.500 CB 1.182 7 residues pruned to eliminate duplicates Z: 34 51.188 2.438 0.986 0.589 0.939 0.758 CB 1.798 34 residues pruned to eliminate duplicates Z: 16 46.920 2.368 0.960 0.905 1.000 0.667 CA 1.857 16 residues pruned to eliminate duplicates Z: 39 44.782 2.382 0.894 0.549 0.921 0.553 CB 1.667 39 residues pruned to eliminate duplicates Z: 10 19.905 2.410 1.188 0.591 0.778 0.667 CB 1.483 10 residues pruned to eliminate duplicates Z: 14 23.089 2.273 1.022 0.531 0.769 0.538 CB 1.756 14 residues pruned to eliminate duplicates Z: 15 26.997 2.152 0.395 0.926 1.000 0.929 CB 1.685 15 residues pruned to eliminate duplicates Z: 14 26.146 2.215 0.427 0.926 1.000 0.846 CB 1.609 14 residues pruned to eliminate duplicates Z: 41 33.273 2.275 0.927 0.437 0.850 0.550 CB 1.506 34 residues pruned to eliminate duplicates Z: 17 18.929 2.309 0.710 0.451 0.750 0.625 CA 1.681 Z: 14 24.867 2.262 0.443 0.875 0.923 0.923 CB 1.666 14 residues pruned to eliminate duplicates Z: 25 33.819 2.464 0.983 0.400 0.958 0.792 CB 1.638 25 residues pruned to eliminate duplicates Z: 71 37.782 2.229 0.784 0.380 0.814 0.529 CB 1.584 7 residues pruned to eliminate duplicates Z: 13 37.902 2.312 0.825 0.910 1.000 0.917 CA 1.839 13 residues pruned to eliminate duplicates Z: 55 55.815 2.411 0.903 0.553 0.944 0.685 CB 1.664 55 residues pruned to eliminate duplicates Z: 31 39.463 2.457 0.807 0.546 0.967 0.833 CB 1.604 33 residues pruned to eliminate duplicates Z: 9 17.587 2.160 0.211 0.867 1.000 0.875 CB 1.739 9 residues pruned to eliminate duplicates Z: 15 31.229 2.429 0.482 0.864 0.929 0.929 CA 1.831 15 residues pruned to eliminate duplicates Z: 14 34.509 2.223 0.645 0.913 1.000 0.846 CA 1.852 14 residues pruned to eliminate duplicates Z: 55 57.052 2.432 0.890 0.552 0.981 0.593 CB 1.636 55 residues pruned to eliminate duplicates Z: 69 44.272 2.288 0.901 0.406 0.868 0.574 CB 1.571 71 residues pruned to eliminate duplicates Z: 14 31.346 2.200 0.689 0.886 1.000 0.769 CB 1.689 14 residues pruned to eliminate duplicates Z: 17 41.476 2.262 0.925 0.905 0.938 0.625 CB 1.808 17 residues pruned to eliminate duplicates Z: 33 31.195 2.325 0.666 0.527 0.969 0.812 CB 1.430 33 residues pruned to eliminate duplicates Z: 27 18.608 2.223 0.625 0.234 0.885 0.500 CB 1.556 27 residues pruned to eliminate duplicates Z: 13 39.616 2.332 0.931 0.902 1.000 0.917 CA 1.811 13 residues pruned to eliminate duplicates Z: 72 56.757 2.368 0.946 0.482 0.859 0.662 CB 1.733 72 residues pruned to eliminate duplicates Z: 14 34.511 2.265 0.759 0.935 1.000 1.000 CB 1.675 13 residues pruned to eliminate duplicates Z: 90 63.278 2.386 1.041 0.438 0.876 0.607 CB 1.676 90 residues pruned to eliminate duplicates Z: 14 28.442 2.238 0.792 0.899 0.923 0.692 CB 1.523 14 residues pruned to eliminate duplicates Z: 54 55.844 2.392 0.949 0.563 0.962 0.660 CB 1.608 54 residues pruned to eliminate duplicates Z: 17 42.623 2.289 0.889 0.886 1.000 0.938 CB 1.779 17 residues pruned to eliminate duplicates Z: 16 42.445 2.434 0.788 0.905 0.933 0.933 CA 1.920 16 residues pruned to eliminate duplicates Z: 56 44.058 2.308 0.897 0.407 0.891 0.673 CB 1.679 56 residues pruned to eliminate duplicates Z: 31 28.569 2.204 0.864 0.392 0.833 0.667 CB 1.708 17 residues pruned to eliminate duplicates Z: 8 19.702 2.340 0.358 0.830 1.000 1.000 CB 1.761 8 residues pruned to eliminate duplicates Z: 9 9.473 1.841 0.642 0.516 1.000 0.625 CB 1.091 9 residues pruned to eliminate duplicates Z: 16 39.786 2.395 0.629 0.937 1.000 0.933 CA 1.833 16 residues pruned to eliminate duplicates Z: 83 65.282 2.356 1.111 0.484 0.902 0.659 CB 1.632 83 residues pruned to eliminate duplicates Z: 10 19.612 2.157 0.393 0.884 1.000 0.778 CA 1.573 10 residues pruned to eliminate duplicates Z: 70 52.724 2.312 1.063 0.420 0.884 0.609 CB 1.636 70 residues pruned to eliminate duplicates Z: 23 27.879 2.466 1.086 0.395 0.773 0.500 CB 1.672 23 residues pruned to eliminate duplicates Z: 10 25.573 2.296 0.960 0.724 0.889 0.667 CB 1.741 10 residues pruned to eliminate duplicates Z: 91 52.678 2.265 0.838 0.442 0.856 0.578 CB 1.655 128 residues pruned to eliminate duplicates Z: 13 50.205 2.307 1.275 0.930 1.000 0.833 CB 1.931 13 residues pruned to eliminate duplicates Z: 15 25.981 2.143 0.576 0.849 0.929 0.929 CB 1.641 15 residues pruned to eliminate duplicates Z: 68 50.040 2.351 0.999 0.387 0.881 0.567 CB 1.664 68 residues pruned to eliminate duplicates Z: 16 37.809 2.389 0.555 0.931 1.000 0.933 CA 1.837 16 residues pruned to eliminate duplicates Z: 18 13.670 2.215 0.693 0.334 0.824 0.588 CB 1.287 18 residues pruned to eliminate duplicates Z: 14 30.729 2.247 0.718 0.889 1.000 0.846 CB 1.589 14 residues pruned to eliminate duplicates Z: 15 48.706 2.442 0.986 0.931 1.000 0.786 CB 1.876 15 residues pruned to eliminate duplicates Z: 16 10.261 1.899 0.555 0.407 0.800 0.467 CB 1.237 16 residues pruned to eliminate duplicates Z: 11 28.252 2.262 0.919 0.824 0.900 0.600 CA 1.727 11 residues pruned to eliminate duplicates Z: 17 17.926 2.305 0.604 0.396 0.750 0.562 CA 1.803 17 residues pruned to eliminate duplicates Z: 64 48.906 2.333 0.915 0.412 0.905 0.667 CB 1.672 64 residues pruned to eliminate duplicates Z: 7 14.185 1.890 0.735 0.705 1.000 0.833 CA 1.465 7 residues pruned to eliminate duplicates Z: 9 16.563 2.093 0.419 0.789 0.875 0.625 CB 1.748 9 residues pruned to eliminate duplicates Z: 13 49.017 2.312 1.364 0.930 1.000 0.833 CA 1.811 13 residues pruned to eliminate duplicates Z: 15 38.086 2.162 0.922 0.915 1.000 0.786 CB 1.731 15 residues pruned to eliminate duplicates Z: 44 54.195 2.481 0.952 0.538 0.953 0.581 CB 1.725 44 residues pruned to eliminate duplicates Z: 13 41.165 2.396 0.922 0.936 1.000 1.000 CB 1.797 13 residues pruned to eliminate duplicates Z: 15 45.383 2.507 0.683 0.927 1.000 0.929 CB 2.014 15 residues pruned to eliminate duplicates Z: 78 62.529 2.417 0.807 0.521 0.909 0.688 CB 1.757 78 residues pruned to eliminate duplicates Z: 56 55.996 2.444 0.773 0.611 0.927 0.709 CB 1.691 56 residues pruned to eliminate duplicates Z: 45 39.608 2.164 0.785 0.510 0.886 0.727 CB 1.727 45 residues pruned to eliminate duplicates Z: 6 10.724 2.045 0.438 0.738 1.000 1.000 CA 1.317 Z: 53 47.486 2.334 1.024 0.401 0.923 0.577 CB 1.676 53 residues pruned to eliminate duplicates Z: 37 29.585 2.336 0.938 0.321 0.806 0.472 CB 1.646 37 residues pruned to eliminate duplicates Z: 62 36.897 2.171 0.957 0.402 0.820 0.574 CB 1.504 62 residues pruned to eliminate duplicates Z: 7 5.902 1.981 0.020 0.608 1.000 0.667 CB 1.077 7 residues pruned to eliminate duplicates Z: 15 28.197 2.086 0.736 0.907 1.000 0.857 CB 1.479 14 residues pruned to eliminate duplicates Z: 46 46.060 2.280 1.015 0.447 0.933 0.689 CB 1.691 46 residues pruned to eliminate duplicates Z: 54 26.772 2.172 0.358 0.389 0.887 0.491 CB 1.581 54 residues pruned to eliminate duplicates Z: 127 82.231 2.424 0.998 0.436 0.944 0.595 CB 1.710 111 residues pruned to eliminate duplicates Z: 82 47.076 2.229 0.904 0.380 0.877 0.506 CB 1.598 82 residues pruned to eliminate duplicates Z: 83 53.992 2.264 1.019 0.415 0.890 0.634 CB 1.601 83 residues pruned to eliminate duplicates Z: 79 69.554 2.453 1.046 0.523 0.872 0.577 CB 1.758 80 residues pruned to eliminate duplicates Z: 19 27.818 2.393 0.872 0.488 0.889 0.778 CB 1.666 19 residues pruned to eliminate duplicates Z: 8 31.186 2.499 1.141 0.660 1.000 0.857 CA 1.899 9 residues pruned to eliminate duplicates Z: 28 35.411 2.372 0.747 0.505 0.963 0.556 CB 1.699 28 residues pruned to eliminate duplicates Z: 37 47.105 2.517 0.889 0.516 0.861 0.500 CB 1.887 37 residues pruned to eliminate duplicates Z: 64 42.041 2.221 0.809 0.387 0.921 0.603 CB 1.614 64 residues pruned to eliminate duplicates Z: 14 35.620 2.233 0.880 0.914 1.000 0.692 CB 1.665 Z: 17 16.969 2.318 0.317 0.366 0.875 0.500 CB 1.834 17 residues pruned to eliminate duplicates Z: 56 42.054 2.273 0.944 0.369 0.927 0.545 CB 1.593 56 residues pruned to eliminate duplicates Z: 32 30.413 2.254 0.713 0.511 0.935 0.613 CB 1.497 28 residues pruned to eliminate duplicates Z: 6 7.022 1.757 0.577 0.557 0.800 0.400 CA 1.340 6 residues pruned to eliminate duplicates Z: 88 63.526 2.379 1.024 0.438 0.897 0.598 CB 1.682 88 residues pruned to eliminate duplicates Z: 14 19.716 2.291 0.790 0.442 0.846 0.769 CA 1.672 14 residues pruned to eliminate duplicates Z: 12 16.628 1.900 0.318 0.902 1.000 0.909 CB 1.428 12 residues pruned to eliminate duplicates Z: 63 51.593 2.340 0.991 0.446 0.887 0.597 CB 1.675 63 residues pruned to eliminate duplicates Z: 22 24.768 2.189 0.446 0.643 0.952 0.905 CB 1.569 22 residues pruned to eliminate duplicates Z: 12 28.596 2.363 0.904 0.642 1.000 0.909 CB 1.678 12 residues pruned to eliminate duplicates Z: 84 43.898 2.209 0.751 0.430 0.831 0.627 CB 1.612 84 residues pruned to eliminate duplicates Z: 78 52.705 2.245 0.920 0.464 0.896 0.597 CB 1.613 78 residues pruned to eliminate duplicates Z: 14 25.999 2.257 0.368 0.889 1.000 0.923 CB 1.681 13 residues pruned to eliminate duplicates Z: 21 17.565 2.113 0.451 0.400 0.900 0.600 CB 1.582 21 residues pruned to eliminate duplicates Z: 16 42.568 2.370 0.765 0.927 1.000 0.933 CA 1.842 16 residues pruned to eliminate duplicates Z: 81 62.266 2.413 0.791 0.515 0.925 0.650 CB 1.717 81 residues pruned to eliminate duplicates Z: 74 47.495 2.280 0.934 0.385 0.904 0.603 CB 1.577 74 residues pruned to eliminate duplicates Z: 66 55.416 2.430 0.761 0.514 0.923 0.708 CB 1.716 66 residues pruned to eliminate duplicates Z: 8 9.410 2.278 0.371 0.430 0.857 0.429 CB 1.429 8 residues pruned to eliminate duplicates Z: 12 20.297 1.922 0.550 0.909 1.000 0.818 CB 1.458 12 residues pruned to eliminate duplicates Z: 55 45.725 2.414 0.947 0.377 0.852 0.556 CB 1.771 55 residues pruned to eliminate duplicates Z: 16 40.188 2.269 1.046 0.875 1.000 0.467 CB 1.625 16 residues pruned to eliminate duplicates Z: 47 50.463 2.281 1.058 0.454 0.978 0.609 CB 1.699 47 residues pruned to eliminate duplicates Z: 11 18.307 2.059 0.377 0.920 1.000 0.900 CB 1.438 11 residues pruned to eliminate duplicates Z: 16 17.592 2.123 0.702 0.441 0.867 0.600 CA 1.542 16 residues pruned to eliminate duplicates Z: 16 25.913 2.445 0.710 0.496 0.867 0.733 CB 1.854 16 residues pruned to eliminate duplicates Z: 45 30.886 2.229 0.916 0.338 0.841 0.614 CB 1.548 45 residues pruned to eliminate duplicates Z: 32 33.011 2.270 0.815 0.507 0.871 0.548 CB 1.642 32 residues pruned to eliminate duplicates Z: 10 19.718 2.065 0.521 0.864 1.000 0.889 CA 1.534 10 residues pruned to eliminate duplicates Z: 30 38.763 2.355 0.641 0.620 0.931 0.724 CB 1.787 30 residues pruned to eliminate duplicates Z: 17 15.543 2.052 0.555 0.453 0.812 0.688 CA 1.573 16 residues pruned to eliminate duplicates Z: 105 61.888 2.375 0.896 0.434 0.885 0.625 CB 1.631 105 residues pruned to eliminate duplicates Z: 10 14.748 2.117 0.617 0.397 1.000 0.444 CB 1.600 10 residues pruned to eliminate duplicates Z: 28 22.786 2.129 0.802 0.362 0.889 0.481 CB 1.492 28 residues pruned to eliminate duplicates Z: 15 33.254 2.113 0.872 0.905 1.000 0.643 CB 1.599 15 residues pruned to eliminate duplicates Z: 21 14.172 1.892 0.477 0.478 0.850 0.500 CB 1.364 21 residues pruned to eliminate duplicates Z: 10 21.068 2.051 0.692 0.787 0.889 0.889 CA 1.769 10 residues pruned to eliminate duplicates Z: 13 12.411 1.915 0.521 0.491 0.917 0.833 CA 1.355 Z: 21 43.483 2.494 1.318 0.641 0.850 0.650 CB 1.734 21 residues pruned to eliminate duplicates Z: 15 15.428 2.092 0.834 0.348 0.714 0.643 CB 1.773 15 residues pruned to eliminate duplicates Z: 6 4.694 1.817 0.117 0.713 0.600 0.600 CA 1.421 6 residues pruned to eliminate duplicates Z: 17 16.225 2.048 0.877 0.396 0.750 0.625 CB 1.570 17 residues pruned to eliminate duplicates Z: 12 20.612 2.236 0.820 0.412 0.909 0.455 CB 1.843 12 residues pruned to eliminate duplicates Z: 45 40.380 2.320 0.764 0.465 0.909 0.591 CB 1.695 45 residues pruned to eliminate duplicates Z: 9 18.544 2.155 0.281 0.849 1.000 0.875 CA 1.760 9 residues pruned to eliminate duplicates Z: 26 21.359 2.037 0.899 0.422 0.800 0.600 CB 1.498 26 residues pruned to eliminate duplicates Z: 53 38.932 2.304 0.873 0.417 0.865 0.577 CB 1.576 53 residues pruned to eliminate duplicates Z: 17 35.778 2.232 0.923 0.829 0.938 0.562 CB 1.673 17 residues pruned to eliminate duplicates Z: 49 40.710 2.270 0.922 0.443 0.875 0.667 CB 1.632 49 residues pruned to eliminate duplicates Z: 10 21.290 2.118 0.576 0.892 1.000 0.889 CA 1.528 10 residues pruned to eliminate duplicates Z: 15 18.794 2.080 0.237 0.769 0.929 0.786 CA 1.657 15 residues pruned to eliminate duplicates Z: 18 18.067 2.238 0.609 0.425 0.824 0.647 CB 1.597 17 residues pruned to eliminate duplicates Z: 68 44.873 2.299 0.954 0.374 0.866 0.597 CB 1.613 68 residues pruned to eliminate duplicates Z: 80 44.303 2.246 0.668 0.465 0.873 0.595 CB 1.579 80 residues pruned to eliminate duplicates Z: 16 37.066 2.364 0.768 0.896 0.933 0.933 CA 1.758 16 residues pruned to eliminate duplicates Z: 14 16.162 2.038 0.630 0.505 0.923 0.692 CB 1.455 27 residues pruned to eliminate duplicates Z: 73 48.951 2.314 0.995 0.386 0.903 0.611 CB 1.563 73 residues pruned to eliminate duplicates Z: 10 19.739 2.193 0.882 0.550 1.000 0.667 CB 1.518 10 residues pruned to eliminate duplicates Z: 32 44.578 2.218 1.039 0.636 0.968 0.806 CB 1.611 32 residues pruned to eliminate duplicates Z: 6 7.500 2.118 0.136 0.808 0.800 0.800 CB 1.333 6 residues pruned to eliminate duplicates Z: 8 8.368 1.761 0.019 0.714 1.000 0.714 C 1.452 8 residues pruned to eliminate duplicates Z: 6 12.710 2.138 0.745 0.605 0.800 0.800 N 1.722 6 residues pruned to eliminate duplicates Z: 74 67.812 2.396 1.158 0.502 0.904 0.699 CB 1.694 74 residues pruned to eliminate duplicates Z: 27 44.028 2.488 0.950 0.556 0.923 0.615 CB 1.826 27 residues pruned to eliminate duplicates Z: 12 5.727 1.743 0.470 0.311 0.636 0.364 CB 1.305 10 residues pruned to eliminate duplicates Z: 28 25.649 2.387 0.581 0.435 0.852 0.556 CB 1.642 28 residues pruned to eliminate duplicates Z: 12 16.698 1.863 0.552 0.812 1.000 0.818 CB 1.327 12 residues pruned to eliminate duplicates Z: 13 8.568 1.819 0.345 0.396 0.833 0.750 CB 1.354 Z: 6 3.932 1.713 0.499 0.564 0.600 0.600 CB 1.073 6 residues pruned to eliminate duplicates Z: 12 18.228 1.908 0.413 0.923 1.000 0.909 CB 1.432 12 residues pruned to eliminate duplicates Z: 32 41.192 2.211 0.948 0.600 0.968 0.710 CB 1.613 32 residues pruned to eliminate duplicates Z: 14 28.763 2.158 0.758 0.885 1.000 0.846 CB 1.518 14 residues pruned to eliminate duplicates Z: 69 46.507 2.257 0.915 0.472 0.868 0.574 CB 1.547 69 residues pruned to eliminate duplicates Z: 98 56.766 2.254 0.938 0.454 0.866 0.649 CB 1.597 113 residues pruned to eliminate duplicates Z: 34 35.350 2.315 1.031 0.449 0.879 0.576 CB 1.569 34 residues pruned to eliminate duplicates Z: 108 63.165 2.333 0.953 0.439 0.869 0.551 CB 1.641 108 residues pruned to eliminate duplicates Z: 16 49.409 2.395 1.105 0.951 0.933 0.667 CB 1.868 16 residues pruned to eliminate duplicates Z: 28 34.842 2.194 0.818 0.576 0.963 0.667 CB 1.622 28 residues pruned to eliminate duplicates Z: 9 14.522 2.304 1.020 0.316 0.750 0.750 CB 1.803 9 residues pruned to eliminate duplicates Z: 12 19.564 1.877 0.543 0.910 1.000 0.909 CB 1.444 12 residues pruned to eliminate duplicates Z: 15 29.612 2.154 0.692 0.881 1.000 0.714 CB 1.572 15 residues pruned to eliminate duplicates Z: 72 58.748 2.426 0.782 0.520 0.915 0.662 CB 1.727 72 residues pruned to eliminate duplicates Z: 6 6.096 1.974 0.676 0.471 0.800 0.400 N 1.061 6 residues pruned to eliminate duplicates Z: 72 40.048 2.260 0.941 0.361 0.817 0.577 CB 1.539 72 residues pruned to eliminate duplicates Z: 13 15.519 1.775 0.331 0.863 1.000 0.917 CB 1.391 13 residues pruned to eliminate duplicates Z: 12 22.773 1.893 0.721 0.911 1.000 0.727 CB 1.494 12 residues pruned to eliminate duplicates Z: 7 10.867 1.994 1.234 0.691 1.000 0.667 CB 0.836 Z: 14 7.683 1.781 0.614 0.331 0.692 0.385 CA 1.288 14 residues pruned to eliminate duplicates Z: 39 31.471 2.281 0.617 0.441 0.895 0.684 CB 1.643 39 residues pruned to eliminate duplicates Z: 17 16.325 2.036 0.646 0.477 0.812 0.562 CB 1.535 17 residues pruned to eliminate duplicates Z: 10 7.827 2.279 0.226 0.291 0.667 0.556 CA 1.770 10 residues pruned to eliminate duplicates Z: 17 22.641 2.224 0.249 0.766 0.938 0.875 CB 1.717 17 residues pruned to eliminate duplicates Z: 17 33.114 2.341 1.022 0.633 0.875 0.688 CB 1.766 17 residues pruned to eliminate duplicates Z: 15 37.973 2.144 1.065 0.910 1.000 0.929 CB 1.626 14 residues pruned to eliminate duplicates Z: 10 11.327 2.146 0.470 0.606 0.889 0.333 CB 1.217 10 residues pruned to eliminate duplicates Z: 33 36.618 2.348 1.003 0.480 0.875 0.656 CB 1.605 33 residues pruned to eliminate duplicates Z: 16 49.387 2.335 0.990 0.935 1.000 0.800 CB 1.913 16 residues pruned to eliminate duplicates Z: 46 34.900 2.232 0.755 0.434 0.911 0.556 CB 1.562 46 residues pruned to eliminate duplicates Z: 6 4.646 1.467 0.214 0.805 1.000 0.600 CA 0.894 6 residues pruned to eliminate duplicates Z: 20 37.658 2.460 1.245 0.487 0.895 0.526 CB 1.772 20 residues pruned to eliminate duplicates Z: 19 35.546 2.298 1.498 0.635 0.889 0.778 CB 1.447 19 residues pruned to eliminate duplicates Z: 42 35.708 2.216 0.833 0.549 0.780 0.537 CB 1.677 59 residues pruned to eliminate duplicates Z: 31 38.359 2.502 0.777 0.528 0.933 0.733 CB 1.642 31 residues pruned to eliminate duplicates Z: 11 15.601 1.864 0.707 0.841 0.900 0.700 CA 1.284 11 residues pruned to eliminate duplicates Z: 73 45.402 2.288 0.830 0.391 0.903 0.667 CB 1.588 73 residues pruned to eliminate duplicates Z: 7 6.173 1.996 0.658 0.317 0.833 0.333 CA 1.119 7 residues pruned to eliminate duplicates Z: 17 26.674 2.210 0.738 0.716 0.875 0.750 CA 1.631 17 residues pruned to eliminate duplicates Z: 32 41.910 2.329 0.838 0.604 0.903 0.613 CB 1.763 32 residues pruned to eliminate duplicates Z: 15 32.352 2.154 0.930 0.900 0.929 0.714 CB 1.600 15 residues pruned to eliminate duplicates Z: 14 36.906 2.217 1.159 0.924 0.923 0.769 CB 1.627 14 residues pruned to eliminate duplicates Z: 55 43.276 2.203 0.986 0.417 0.944 0.667 CB 1.554 55 residues pruned to eliminate duplicates Z: 11 17.664 2.026 0.622 0.880 0.900 0.700 CB 1.369 11 residues pruned to eliminate duplicates Z: 11 20.053 2.062 0.497 0.905 1.000 0.900 CB 1.462 11 residues pruned to eliminate duplicates Z: 28 39.341 2.384 0.821 0.608 0.963 0.778 CB 1.635 28 residues pruned to eliminate duplicates Z: 45 30.325 2.259 0.740 0.409 0.818 0.545 CB 1.564 45 residues pruned to eliminate duplicates Z: 54 55.741 2.406 0.758 0.555 0.962 0.755 CB 1.783 54 residues pruned to eliminate duplicates Z: 13 20.002 1.733 0.848 0.872 0.917 0.667 CA 1.434 13 residues pruned to eliminate duplicates Z: 31 27.040 2.347 0.951 0.344 0.733 0.400 CB 1.742 31 residues pruned to eliminate duplicates Z: 72 43.826 2.285 0.865 0.426 0.859 0.648 CB 1.535 72 residues pruned to eliminate duplicates Z: 7 14.456 2.038 0.725 0.718 0.833 0.833 CA 1.654 4 residues pruned to eliminate duplicates Z: 14 13.482 1.785 0.800 0.522 0.769 0.462 CB 1.481 14 residues pruned to eliminate duplicates Z: 68 55.911 2.403 0.899 0.467 0.881 0.627 CB 1.758 68 residues pruned to eliminate duplicates Z: 67 54.731 2.391 0.949 0.469 0.864 0.576 CB 1.728 67 residues pruned to eliminate duplicates Z: 87 58.836 2.358 0.949 0.436 0.895 0.616 CB 1.647 87 residues pruned to eliminate duplicates Z: 22 19.485 2.219 0.998 0.365 0.762 0.476 CB 1.455 22 residues pruned to eliminate duplicates Z: 35 41.300 2.304 0.783 0.614 0.912 0.618 CB 1.697 35 residues pruned to eliminate duplicates Z: 22 21.247 2.284 0.772 0.403 0.762 0.524 CB 1.665 22 residues pruned to eliminate duplicates Z: 8 4.543 1.509 0.218 0.429 1.000 0.714 C 1.006 8 residues pruned to eliminate duplicates Z: 58 41.191 2.430 0.617 0.456 0.842 0.544 CB 1.726 58 residues pruned to eliminate duplicates Z: 6 6.874 1.983 0.107 0.756 1.000 0.800 CA 1.115 6 residues pruned to eliminate duplicates Z: 13 15.043 1.682 0.351 0.878 1.000 0.833 CA 1.387 13 residues pruned to eliminate duplicates Z: 16 31.982 2.191 1.292 0.519 0.933 0.733 CB 1.729 16 residues pruned to eliminate duplicates Z: 15 29.523 2.129 0.759 0.876 1.000 0.857 CB 1.531 15 residues pruned to eliminate duplicates Z: 11 21.613 2.101 0.546 0.831 1.000 0.800 CA 1.580 11 residues pruned to eliminate duplicates Z: 8 13.079 2.122 0.648 0.700 1.000 0.429 CA 1.178 8 residues pruned to eliminate duplicates Z: 13 24.004 2.370 0.762 0.503 1.000 0.500 CB 1.654 13 residues pruned to eliminate duplicates Z: 61 39.377 2.272 0.805 0.395 0.850 0.583 CB 1.629 61 residues pruned to eliminate duplicates Z: 16 39.313 2.558 0.738 0.754 0.933 0.800 CA 1.951 16 residues pruned to eliminate duplicates Z: 66 52.809 2.367 0.833 0.509 0.908 0.646 CB 1.648 66 residues pruned to eliminate duplicates Z: 47 31.004 2.107 0.810 0.395 0.826 0.652 CB 1.622 50 residues pruned to eliminate duplicates Z: 8 8.471 1.871 0.979 0.389 0.857 0.571 C 1.135 8 residues pruned to eliminate duplicates Z: 83 68.277 2.414 1.087 0.472 0.902 0.634 CB 1.707 83 residues pruned to eliminate duplicates Z: 60 62.749 2.510 1.089 0.468 0.915 0.610 CB 1.758 60 residues pruned to eliminate duplicates Z: 16 41.005 2.457 0.752 0.804 0.933 0.933 CA 2.021 16 residues pruned to eliminate duplicates Z: 22 33.580 2.153 0.816 0.708 0.905 0.810 CB 1.715 22 residues pruned to eliminate duplicates Z: 15 38.220 2.373 0.815 0.905 1.000 0.857 CB 1.688 15 residues pruned to eliminate duplicates Z: 15 37.612 2.095 1.037 0.911 1.000 0.857 CB 1.669 15 residues pruned to eliminate duplicates Z: 64 50.837 2.228 1.003 0.488 0.905 0.619 CB 1.606 64 residues pruned to eliminate duplicates Z: 57 48.699 2.359 0.705 0.562 0.893 0.696 CB 1.707 57 residues pruned to eliminate duplicates Z: 21 32.457 2.336 0.583 0.660 1.000 0.700 CB 1.692 22 residues pruned to eliminate duplicates Z: 7 8.035 2.095 0.272 0.494 0.833 0.667 CA 1.487 7 residues pruned to eliminate duplicates Z: 30 17.828 2.160 0.669 0.355 0.759 0.448 CB 1.416 30 residues pruned to eliminate duplicates Z: 10 16.747 2.070 0.186 0.890 1.000 0.889 CA 1.636 10 residues pruned to eliminate duplicates Z: 73 48.266 2.290 0.901 0.418 0.875 0.569 CB 1.626 73 residues pruned to eliminate duplicates Z: 9 8.212 2.279 0.605 0.262 0.625 0.375 CA 1.666 9 residues pruned to eliminate duplicates Z: 13 12.217 2.061 0.591 0.382 0.833 0.417 CB 1.464 13 residues pruned to eliminate duplicates Z: 7 7.695 1.848 0.210 0.559 1.000 0.833 CB 1.326 7 residues pruned to eliminate duplicates Z: 24 24.070 2.126 0.732 0.413 0.870 0.652 CB 1.717 24 residues pruned to eliminate duplicates Z: 6 5.836 1.574 0.280 0.805 1.000 1.000 CA 0.992 6 residues pruned to eliminate duplicates Z: 10 18.800 1.917 0.538 0.867 1.000 0.889 CA 1.555 10 residues pruned to eliminate duplicates Z: 36 49.387 2.432 0.859 0.608 0.943 0.686 CB 1.767 36 residues pruned to eliminate duplicates Z: 19 25.648 2.201 1.309 0.461 0.889 0.667 CB 1.393 19 residues pruned to eliminate duplicates Z: 24 34.982 2.498 0.737 0.596 0.913 0.826 CB 1.680 24 residues pruned to eliminate duplicates Z: 6 17.070 2.227 0.914 0.443 1.000 0.800 CA 1.898 6 residues pruned to eliminate duplicates Z: 16 23.683 1.986 0.782 0.835 0.867 0.800 CB 1.493 16 residues pruned to eliminate duplicates Z: 44 49.685 2.379 1.165 0.457 0.953 0.558 CB 1.612 44 residues pruned to eliminate duplicates Z: 26 14.865 1.923 0.487 0.353 0.840 0.680 CB 1.450 25 residues pruned to eliminate duplicates Z: 26 18.760 2.234 0.683 0.316 0.800 0.600 CB 1.529 26 residues pruned to eliminate duplicates Z: 65 49.183 2.275 1.010 0.413 0.906 0.672 CB 1.625 65 residues pruned to eliminate duplicates Z: 8 5.201 1.963 0.409 0.225 0.714 0.571 CB 1.373 8 residues pruned to eliminate duplicates Z: 15 25.017 2.106 0.468 0.878 1.000 0.786 CB 1.569 14 residues pruned to eliminate duplicates Z: 11 22.577 2.033 0.652 0.940 1.000 0.900 CB 1.477 11 residues pruned to eliminate duplicates Z: 44 38.637 2.276 0.836 0.440 0.930 0.605 CB 1.614 44 residues pruned to eliminate duplicates Z: 7 7.890 1.690 0.682 0.534 0.833 0.667 CA 1.315 8 residues pruned to eliminate duplicates Z: 11 4.706 1.479 0.684 0.285 0.900 0.400 N 0.845 Z: 17 25.958 2.335 0.962 0.492 0.938 0.812 CB 1.523 17 residues pruned to eliminate duplicates Z: 8 19.964 2.431 0.909 0.432 1.000 0.571 CA 1.744 8 residues pruned to eliminate duplicates Z: 6 5.033 1.473 0.748 0.530 0.800 0.400 CB 1.061 Z: 14 8.167 1.817 0.568 0.272 0.846 0.462 CB 1.217 14 residues pruned to eliminate duplicates Z: 98 63.510 2.365 0.993 0.400 0.907 0.567 CB 1.677 98 residues pruned to eliminate duplicates Z: 63 46.724 2.294 1.002 0.399 0.887 0.613 CB 1.620 63 residues pruned to eliminate duplicates Z: 49 43.758 2.308 0.985 0.434 0.896 0.625 CB 1.649 49 residues pruned to eliminate duplicates Z: 94 52.263 2.316 0.927 0.360 0.882 0.570 CB 1.602 94 residues pruned to eliminate duplicates Z: 20 38.978 2.384 0.712 0.697 0.947 0.842 CB 1.932 20 residues pruned to eliminate duplicates Z: 9 15.320 2.091 1.086 0.595 0.875 0.750 CB 1.297 Z: 20 32.628 2.391 1.337 0.497 0.789 0.579 CB 1.703 20 residues pruned to eliminate duplicates Z: 8 4.720 1.748 0.493 0.480 0.857 0.714 CB 0.813 Z: 108 59.204 2.260 0.856 0.466 0.907 0.682 CB 1.557 108 residues pruned to eliminate duplicates Z: 13 5.886 1.635 0.918 0.298 0.667 0.167 CB 1.018 13 residues pruned to eliminate duplicates Z: 16 35.344 2.460 1.194 0.419 0.933 0.600 CB 1.972 16 residues pruned to eliminate duplicates Z: 7 6.940 1.822 0.398 0.554 0.833 0.500 CB 1.266 7 residues pruned to eliminate duplicates Z: 69 47.701 2.314 0.952 0.409 0.882 0.574 CB 1.597 69 residues pruned to eliminate duplicates Z: 77 56.464 2.391 0.786 0.512 0.882 0.605 CB 1.700 77 residues pruned to eliminate duplicates Z: 49 45.601 2.269 1.038 0.449 0.938 0.646 CB 1.600 49 residues pruned to eliminate duplicates Z: 13 26.735 2.290 1.368 0.391 1.000 0.750 CB 1.597 13 residues pruned to eliminate duplicates Z: 22 23.997 2.435 1.082 0.292 0.857 0.571 CB 1.522 22 residues pruned to eliminate duplicates Z: 24 32.191 2.267 0.950 0.603 0.870 0.783 CB 1.583 24 residues pruned to eliminate duplicates Z: 28 26.038 2.154 0.919 0.454 0.852 0.667 CB 1.491 36 residues pruned to eliminate duplicates Z: 22 18.062 2.260 0.625 0.333 0.810 0.429 CB 1.592 22 residues pruned to eliminate duplicates Z: 11 24.009 2.014 0.853 0.820 1.000 0.800 CB 1.541 11 residues pruned to eliminate duplicates Z: 15 35.945 2.440 1.245 0.604 0.857 0.714 CB 1.854 15 residues pruned to eliminate duplicates Z: 68 60.899 2.486 1.017 0.460 0.896 0.627 CB 1.727 68 residues pruned to eliminate duplicates Z: 62 42.164 2.280 0.869 0.400 0.885 0.541 CB 1.591 62 residues pruned to eliminate duplicates Z: 54 37.959 2.285 0.734 0.401 0.887 0.604 CB 1.648 54 residues pruned to eliminate duplicates Z: 10 16.121 1.953 0.407 0.911 1.000 1.000 CB 1.386 10 residues pruned to eliminate duplicates Z: 13 37.459 2.291 0.957 0.943 1.000 0.667 CB 1.671 15 residues pruned to eliminate duplicates Z: 6 6.223 1.679 0.360 0.503 1.000 0.600 CA 1.215 Z: 32 35.807 2.161 0.813 0.660 0.903 0.710 CB 1.566 32 residues pruned to eliminate duplicates Z: 11 14.150 2.179 0.758 0.302 0.900 0.500 CB 1.619 11 residues pruned to eliminate duplicates Z: 23 25.338 2.281 1.069 0.411 0.773 0.545 CB 1.626 23 residues pruned to eliminate duplicates Z: 29 28.603 2.176 0.893 0.395 0.964 0.607 CB 1.521 29 residues pruned to eliminate duplicates Z: 11 23.069 2.051 0.687 0.832 1.000 0.800 CB 1.582 11 residues pruned to eliminate duplicates Z: 63 58.328 2.420 1.116 0.452 0.919 0.548 CB 1.653 63 residues pruned to eliminate duplicates Z: 7 10.960 1.898 0.263 0.817 1.000 1.000 CA 1.418 7 residues pruned to eliminate duplicates Z: 68 44.034 2.323 0.818 0.393 0.866 0.552 CB 1.648 68 residues pruned to eliminate duplicates Z: 8 5.606 2.013 0.306 0.235 0.714 0.571 CA 1.536 8 residues pruned to eliminate duplicates Z: 6 4.815 1.678 0.851 0.474 0.800 0.600 CB 0.889 Z: 9 14.078 1.998 0.254 0.851 0.875 0.875 CA 1.680 9 residues pruned to eliminate duplicates Z: 51 45.058 2.393 0.791 0.515 0.860 0.580 CB 1.704 51 residues pruned to eliminate duplicates Z: 16 12.646 2.062 0.714 0.332 0.867 0.333 CB 1.281 16 residues pruned to eliminate duplicates Z: 35 32.139 2.109 0.974 0.431 0.853 0.529 CB 1.668 35 residues pruned to eliminate duplicates Z: 87 61.400 2.398 0.951 0.450 0.895 0.663 CB 1.665 87 residues pruned to eliminate duplicates Z: 7 5.721 1.669 0.498 0.537 0.833 0.500 CB 1.081 7 residues pruned to eliminate duplicates Z: 31 28.020 2.173 0.827 0.439 0.800 0.633 CB 1.715 31 residues pruned to eliminate duplicates Z: 78 57.287 2.382 0.793 0.495 0.896 0.662 CB 1.715 78 residues pruned to eliminate duplicates Z: 52 45.162 2.357 0.874 0.433 0.922 0.451 CB 1.666 52 residues pruned to eliminate duplicates Z: 18 33.960 2.292 1.060 0.540 0.941 0.706 CB 1.782 18 residues pruned to eliminate duplicates Z: 23 31.079 2.250 1.059 0.538 0.864 0.636 CB 1.595 23 residues pruned to eliminate duplicates Z: 9 19.801 2.158 1.215 0.520 1.000 0.500 CB 1.437 9 residues pruned to eliminate duplicates Z: 6 4.298 1.709 0.547 0.340 0.800 0.800 CB 1.083 6 residues pruned to eliminate duplicates Z: 7 4.437 1.671 0.053 0.774 1.000 0.833 N 0.808 Z: 19 40.792 2.460 0.790 0.714 1.000 0.889 CB 1.798 19 residues pruned to eliminate duplicates Z: 11 20.569 2.015 0.612 0.897 1.000 0.800 CB 1.433 11 residues pruned to eliminate duplicates Z: 15 39.584 2.097 1.132 0.892 1.000 0.714 CB 1.700 15 residues pruned to eliminate duplicates Z: 16 34.135 2.341 0.507 0.922 1.000 1.000 CA 1.756 16 residues pruned to eliminate duplicates Z: 99 57.472 2.270 0.933 0.460 0.878 0.602 CB 1.570 99 residues pruned to eliminate duplicates Z: 30 18.642 2.053 0.492 0.472 0.862 0.586 CB 1.349 30 residues pruned to eliminate duplicates Z: 6 3.446 1.485 0.504 0.318 0.800 0.600 CB 1.054 Z: 36 43.749 2.371 1.009 0.480 0.914 0.629 CB 1.732 36 residues pruned to eliminate duplicates Z: 49 46.122 2.325 1.021 0.439 0.917 0.688 CB 1.646 49 residues pruned to eliminate duplicates Z: 16 21.417 2.244 0.674 0.492 0.867 0.733 CB 1.711 8 residues pruned to eliminate duplicates Z: 14 5.049 1.983 0.455 0.111 0.615 0.308 CB 1.291 14 residues pruned to eliminate duplicates Z: 27 27.093 2.229 1.020 0.386 0.769 0.654 CB 1.732 27 residues pruned to eliminate duplicates Z: 64 48.270 2.320 0.913 0.438 0.889 0.476 CB 1.644 64 residues pruned to eliminate duplicates Z: 52 36.365 2.268 0.724 0.370 0.902 0.608 CB 1.661 52 residues pruned to eliminate duplicates Z: 16 23.890 2.288 1.125 0.393 0.800 0.667 CA 1.775 16 residues pruned to eliminate duplicates Z: 25 46.027 2.394 1.150 0.588 0.917 0.625 CB 1.830 25 residues pruned to eliminate duplicates Z: 73 51.738 2.315 0.953 0.410 0.903 0.625 CB 1.642 73 residues pruned to eliminate duplicates Z: 8 5.071 1.810 0.320 0.430 0.857 0.429 CB 1.006 8 residues pruned to eliminate duplicates Z: 15 24.669 2.159 0.332 0.893 1.000 0.929 CB 1.645 13 residues pruned to eliminate duplicates Z: 7 5.331 1.683 0.234 0.267 1.000 0.333 N 1.366 Z: 83 55.011 2.230 0.943 0.499 0.915 0.671 CB 1.535 83 residues pruned to eliminate duplicates Z: 11 18.650 2.057 0.368 0.875 1.000 0.800 CB 1.524 11 residues pruned to eliminate duplicates Z: 21 26.369 2.088 0.825 0.595 0.900 0.750 CB 1.569 21 residues pruned to eliminate duplicates Z: 6 2.284 1.744 0.358 0.133 0.600 0.400 CA 1.135 6 residues pruned to eliminate duplicates Z: 42 31.468 2.136 0.780 0.432 0.927 0.634 CB 1.496 42 residues pruned to eliminate duplicates Z: 25 44.767 2.402 0.879 0.672 1.000 0.583 CB 1.727 25 residues pruned to eliminate duplicates Z: 79 65.684 2.383 1.036 0.504 0.910 0.641 CB 1.678 79 residues pruned to eliminate duplicates Z: 22 42.952 2.526 1.249 0.456 0.905 0.619 CB 1.907 22 residues pruned to eliminate duplicates Z: 17 8.573 1.750 0.636 0.284 0.688 0.500 CB 1.390 17 residues pruned to eliminate duplicates Z: 69 51.476 2.431 0.908 0.423 0.853 0.529 CB 1.710 69 residues pruned to eliminate duplicates Z: 17 34.302 2.219 0.847 0.853 0.938 0.625 CB 1.649 17 residues pruned to eliminate duplicates Z: 58 49.345 2.303 0.944 0.468 0.912 0.649 CB 1.653 58 residues pruned to eliminate duplicates Z: 59 51.333 2.427 0.826 0.453 0.914 0.534 CB 1.746 59 residues pruned to eliminate duplicates Z: 15 52.294 2.527 1.209 0.752 1.000 0.786 CA 2.001 15 residues pruned to eliminate duplicates Z: 36 39.429 2.193 0.893 0.578 0.914 0.429 CB 1.628 36 residues pruned to eliminate duplicates Z: 51 54.427 2.456 0.904 0.519 0.960 0.660 CB 1.684 51 residues pruned to eliminate duplicates Z: 64 62.988 2.339 1.095 0.519 0.921 0.603 CB 1.727 64 residues pruned to eliminate duplicates Z: 27 45.482 2.333 0.830 0.684 1.000 0.692 CB 1.765 27 residues pruned to eliminate duplicates Z: 11 7.447 1.966 0.696 0.306 0.700 0.600 CB 1.251 11 residues pruned to eliminate duplicates Z: 15 20.730 2.149 0.569 0.466 1.000 0.500 CB 1.701 15 residues pruned to eliminate duplicates Z: 10 25.735 2.169 0.743 0.851 1.000 0.556 CB 1.680 10 residues pruned to eliminate duplicates Z: 19 29.826 2.292 1.085 0.572 0.889 0.722 CB 1.543 19 residues pruned to eliminate duplicates Z: 76 57.978 2.340 1.047 0.456 0.880 0.560 CB 1.663 76 residues pruned to eliminate duplicates Z: 30 35.300 2.400 0.946 0.414 0.862 0.414 CB 1.781 30 residues pruned to eliminate duplicates Z: 24 32.628 2.331 0.963 0.460 0.870 0.609 CB 1.781 24 residues pruned to eliminate duplicates Z: 29 40.184 2.220 0.992 0.582 0.964 0.750 CB 1.646 29 residues pruned to eliminate duplicates Z: 8 12.854 1.995 0.663 0.618 0.857 0.429 CB 1.528 8 residues pruned to eliminate duplicates Z: 14 22.235 2.220 0.301 0.901 0.923 0.846 CB 1.652 14 residues pruned to eliminate duplicates Z: 12 18.802 2.201 0.761 0.464 0.909 0.818 CA 1.669 12 residues pruned to eliminate duplicates Z: 20 30.242 2.330 1.265 0.473 0.842 0.789 CB 1.605 20 residues pruned to eliminate duplicates Z: 74 67.470 2.418 0.981 0.491 0.932 0.630 CB 1.787 74 residues pruned to eliminate duplicates Z: 8 9.454 1.849 0.824 0.524 0.714 0.571 CA 1.448 8 residues pruned to eliminate duplicates Z: 9 10.590 1.881 0.017 0.863 1.000 0.875 CB 1.437 9 residues pruned to eliminate duplicates Z: 9 12.103 1.863 1.435 0.346 0.875 0.750 CB 1.275 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 12.571 1.863 1.466 0.347 1.000 0.400 CA 1.446 6 residues pruned to eliminate duplicates Z: 23 46.244 2.424 1.122 0.641 0.864 0.727 CA 1.945 23 residues pruned to eliminate duplicates Z: 93 63.431 2.420 0.940 0.421 0.891 0.630 CB 1.717 93 residues pruned to eliminate duplicates Z: 94 64.056 2.383 0.984 0.443 0.882 0.645 CB 1.689 94 residues pruned to eliminate duplicates Z: 104 67.557 2.418 1.023 0.436 0.835 0.583 CB 1.742 104 residues pruned to eliminate duplicates Z: 68 53.048 2.350 0.867 0.469 0.896 0.672 CB 1.703 68 residues pruned to eliminate duplicates Z: 23 42.828 2.508 1.071 0.603 0.864 0.682 CB 1.846 23 residues pruned to eliminate duplicates Z: 24 45.903 2.446 1.262 0.554 0.870 0.652 CB 1.888 24 residues pruned to eliminate duplicates Z: 17 53.374 2.636 1.101 0.743 0.938 0.750 CB 2.067 17 residues pruned to eliminate duplicates Z: 18 41.270 2.412 1.144 0.654 0.882 0.647 CB 1.901 18 residues pruned to eliminate duplicates Z: 34 61.498 2.497 1.371 0.607 0.879 0.788 CB 1.857 40 residues pruned to eliminate duplicates Z: 12 46.623 2.480 1.078 0.893 1.000 0.909 CA 1.957 12 residues pruned to eliminate duplicates Z: 97 61.828 2.379 0.913 0.443 0.875 0.625 CB 1.680 97 residues pruned to eliminate duplicates Z: 84 63.129 2.401 0.974 0.457 0.892 0.614 CB 1.714 84 residues pruned to eliminate duplicates Z: 86 70.497 2.392 1.092 0.477 0.894 0.659 CB 1.750 87 residues pruned to eliminate duplicates Z: 14 37.048 2.220 1.396 0.848 0.923 0.615 CB 1.553 14 residues pruned to eliminate duplicates Z: 17 59.161 2.649 1.301 0.739 0.938 0.750 CB 2.090 17 residues pruned to eliminate duplicates Z: 88 61.918 2.371 0.944 0.440 0.931 0.632 CB 1.645 88 residues pruned to eliminate duplicates Z: 68 58.725 2.406 0.912 0.473 0.910 0.612 CB 1.761 68 residues pruned to eliminate duplicates Z: 67 51.786 2.386 0.900 0.446 0.848 0.636 CB 1.753 67 residues pruned to eliminate duplicates Z: 66 42.422 2.293 0.834 0.384 0.862 0.569 CB 1.644 66 residues pruned to eliminate duplicates Z: 24 35.445 2.459 0.884 0.472 0.913 0.696 CB 1.797 24 residues pruned to eliminate duplicates Z: 82 69.974 2.396 1.148 0.487 0.889 0.704 CB 1.722 82 residues pruned to eliminate duplicates Z: 130 69.840 2.385 0.835 0.450 0.876 0.574 CB 1.688 130 residues pruned to eliminate duplicates Z: 73 64.978 2.374 1.088 0.459 0.944 0.681 CB 1.705 73 residues pruned to eliminate duplicates Z: 65 41.215 2.267 0.983 0.405 0.828 0.562 CB 1.530 65 residues pruned to eliminate duplicates Z: 80 65.762 2.415 1.059 0.472 0.911 0.582 CB 1.680 80 residues pruned to eliminate duplicates Z: 74 44.369 2.331 0.816 0.376 0.863 0.575 CB 1.622 74 residues pruned to eliminate duplicates Z: 52 37.616 2.313 0.924 0.395 0.843 0.608 CB 1.568 52 residues pruned to eliminate duplicates Z: 68 43.881 2.348 0.861 0.380 0.851 0.657 CB 1.639 68 residues pruned to eliminate duplicates Z: 67 44.521 2.266 0.980 0.390 0.879 0.561 CB 1.562 67 residues pruned to eliminate duplicates Z: 64 49.908 2.317 0.955 0.417 0.905 0.603 CB 1.673 64 residues pruned to eliminate duplicates Z: 61 50.964 2.323 0.942 0.431 0.933 0.667 CB 1.678 61 residues pruned to eliminate duplicates Z: 52 46.311 2.352 0.903 0.406 0.941 0.608 CB 1.699 52 residues pruned to eliminate duplicates Z: 70 46.726 2.311 0.882 0.405 0.899 0.638 CB 1.590 70 residues pruned to eliminate duplicates Z: 67 60.589 2.419 1.072 0.488 0.864 0.652 CB 1.743 67 residues pruned to eliminate duplicates Z: 73 46.062 2.347 0.820 0.374 0.861 0.625 CB 1.689 73 residues pruned to eliminate duplicates Z: 67 63.985 2.407 1.090 0.478 0.909 0.682 CB 1.761 67 residues pruned to eliminate duplicates Z: 94 56.203 2.317 0.901 0.427 0.882 0.624 CB 1.619 94 residues pruned to eliminate duplicates Z: 66 57.560 2.377 1.048 0.443 0.908 0.600 CB 1.714 66 residues pruned to eliminate duplicates Z: 51 41.990 2.308 0.940 0.401 0.900 0.620 CB 1.637 51 residues pruned to eliminate duplicates Z: 74 53.350 2.326 1.064 0.389 0.904 0.630 CB 1.617 74 residues pruned to eliminate duplicates Z: 69 44.828 2.266 0.949 0.401 0.853 0.559 CB 1.602 69 residues pruned to eliminate duplicates Z: 91 62.557 2.398 0.950 0.441 0.911 0.622 CB 1.644 91 residues pruned to eliminate duplicates Z: 93 64.553 2.390 1.029 0.436 0.870 0.598 CB 1.705 93 residues pruned to eliminate duplicates Z: 32 46.645 2.414 1.196 0.511 0.903 0.677 CB 1.731 32 residues pruned to eliminate duplicates Z: 36 48.031 2.405 1.044 0.509 0.943 0.686 CB 1.737 36 residues pruned to eliminate duplicates Z: 111 62.917 2.356 0.918 0.430 0.864 0.509 CB 1.654 111 residues pruned to eliminate duplicates Z: 50 41.242 2.305 0.917 0.390 0.939 0.633 CB 1.596 50 residues pruned to eliminate duplicates Z: 40 34.573 2.139 0.931 0.420 0.923 0.615 CB 1.578 40 residues pruned to eliminate duplicates Z: 68 48.873 2.343 0.959 0.398 0.881 0.597 CB 1.645 68 residues pruned to eliminate duplicates Z: 70 60.676 2.417 1.001 0.462 0.913 0.652 CB 1.720 70 residues pruned to eliminate duplicates Z: 61 49.537 2.303 0.980 0.425 0.883 0.633 CB 1.716 61 residues pruned to eliminate duplicates Z: 49 44.334 2.281 1.015 0.432 0.896 0.625 CB 1.668 49 residues pruned to eliminate duplicates Z: 49 45.028 2.323 0.938 0.410 0.938 0.667 CB 1.693 49 residues pruned to eliminate duplicates Z: 46 43.951 2.289 0.936 0.444 0.933 0.689 CB 1.678 46 residues pruned to eliminate duplicates Z: 67 50.643 2.339 0.988 0.400 0.894 0.591 CB 1.666 67 residues pruned to eliminate duplicates Z: 79 55.367 2.329 0.961 0.463 0.885 0.628 CB 1.611 79 residues pruned to eliminate duplicates Z: 87 58.737 2.364 1.004 0.417 0.872 0.628 CB 1.672 87 residues pruned to eliminate duplicates Z: 66 49.678 2.316 1.000 0.409 0.862 0.677 CB 1.699 66 residues pruned to eliminate duplicates Z: 54 44.965 2.317 0.971 0.416 0.906 0.642 CB 1.630 54 residues pruned to eliminate duplicates Z: 48 28.737 2.214 0.820 0.314 0.830 0.617 CB 1.541 48 residues pruned to eliminate duplicates Z: 87 58.183 2.380 0.945 0.437 0.895 0.616 CB 1.616 87 residues pruned to eliminate duplicates Z: 67 46.922 2.376 0.947 0.374 0.864 0.606 CB 1.654 67 residues pruned to eliminate duplicates Z: 53 46.502 2.345 1.018 0.391 0.904 0.635 CB 1.692 53 residues pruned to eliminate duplicates Z: 49 47.785 2.308 1.069 0.424 0.938 0.667 CB 1.668 49 residues pruned to eliminate duplicates Z: 51 47.079 2.355 0.988 0.415 0.920 0.640 CB 1.690 51 residues pruned to eliminate duplicates Z: 67 60.103 2.364 1.050 0.482 0.894 0.667 CB 1.740 67 residues pruned to eliminate duplicates Z: 16 18.484 2.211 0.801 0.411 0.800 0.467 CB 1.645 16 residues pruned to eliminate duplicates Z: 55 42.079 2.301 0.898 0.398 0.907 0.648 CB 1.609 55 residues pruned to eliminate duplicates Z: 71 45.962 2.329 0.892 0.398 0.871 0.629 CB 1.592 71 residues pruned to eliminate duplicates Z: 84 67.116 2.410 1.051 0.462 0.892 0.651 CB 1.738 84 residues pruned to eliminate duplicates Z: 72 49.539 2.338 1.017 0.384 0.873 0.592 CB 1.614 72 residues pruned to eliminate duplicates Z: 89 55.707 2.341 0.949 0.424 0.875 0.625 CB 1.610 89 residues pruned to eliminate duplicates Z: 73 52.517 2.321 0.925 0.411 0.931 0.625 CB 1.634 73 residues pruned to eliminate duplicates Z: 27 23.930 2.316 0.758 0.339 0.885 0.462 CB 1.553 27 residues pruned to eliminate duplicates Z: 20 22.872 2.230 1.019 0.423 0.895 0.684 CB 1.411 20 residues pruned to eliminate duplicates Z: 28 21.504 2.244 0.781 0.336 0.778 0.519 CB 1.593 28 residues pruned to eliminate duplicates Z: 23 20.587 2.372 0.798 0.305 0.818 0.500 CB 1.563 23 residues pruned to eliminate duplicates Z: 29 18.176 2.132 0.812 0.309 0.786 0.429 CB 1.399 29 residues pruned to eliminate duplicates Z: 68 52.285 2.350 1.033 0.397 0.896 0.627 CB 1.665 68 residues pruned to eliminate duplicates Z: 22 20.793 2.243 0.835 0.398 0.714 0.571 CB 1.720 22 residues pruned to eliminate duplicates Z: 28 20.804 2.306 0.845 0.299 0.815 0.444 CB 1.445 28 residues pruned to eliminate duplicates Z: 73 50.064 2.335 0.973 0.395 0.875 0.639 CB 1.635 73 residues pruned to eliminate duplicates Z: 31 26.404 2.321 0.892 0.304 0.867 0.433 CB 1.575 31 residues pruned to eliminate duplicates Z: 99 58.491 2.375 0.807 0.442 0.898 0.551 CB 1.628 99 residues pruned to eliminate duplicates Z: 35 23.790 2.326 0.832 0.282 0.824 0.529 CB 1.486 35 residues pruned to eliminate duplicates Z: 31 26.244 2.337 0.781 0.294 0.867 0.433 CB 1.672 31 residues pruned to eliminate duplicates Z: 26 22.380 2.305 0.939 0.283 0.880 0.440 CB 1.453 26 residues pruned to eliminate duplicates Z: 86 62.832 2.424 1.047 0.399 0.882 0.635 CB 1.733 86 residues pruned to eliminate duplicates Z: 33 20.855 2.174 0.980 0.293 0.688 0.469 CB 1.571 33 residues pruned to eliminate duplicates Z: 20 35.390 2.551 1.286 0.359 0.895 0.632 CB 1.811 20 residues pruned to eliminate duplicates Z: 79 65.709 2.465 0.862 0.518 0.897 0.692 CB 1.774 79 residues pruned to eliminate duplicates Z: 118 74.085 2.406 0.927 0.440 0.915 0.624 CB 1.719 118 residues pruned to eliminate duplicates Z: 21 35.463 2.610 1.073 0.373 0.850 0.600 CB 1.974 21 residues pruned to eliminate duplicates Z: 81 61.683 2.424 0.859 0.483 0.887 0.613 CB 1.754 81 residues pruned to eliminate duplicates Z: 25 28.130 2.392 1.024 0.367 0.833 0.458 CB 1.641 25 residues pruned to eliminate duplicates Z: 50 51.646 2.420 0.863 0.508 0.918 0.571 CB 1.768 50 residues pruned to eliminate duplicates Z: 79 55.854 2.385 0.840 0.515 0.846 0.603 CB 1.678 79 residues pruned to eliminate duplicates Z: 52 45.941 2.433 0.769 0.473 0.882 0.647 CB 1.740 52 residues pruned to eliminate duplicates Z: 22 17.358 2.342 1.018 0.255 0.762 0.429 CB 1.394 22 residues pruned to eliminate duplicates Z: 42 31.684 2.317 0.641 0.461 0.780 0.415 CB 1.735 42 residues pruned to eliminate duplicates Z: 79 52.704 2.312 0.998 0.368 0.885 0.590 CB 1.682 79 residues pruned to eliminate duplicates Z: 40 34.085 2.298 0.649 0.470 0.872 0.538 CB 1.703 40 residues pruned to eliminate duplicates Z: 72 47.676 2.383 0.746 0.488 0.845 0.549 CB 1.629 72 residues pruned to eliminate duplicates Z: 37 37.944 2.407 0.669 0.503 0.917 0.583 CB 1.712 37 residues pruned to eliminate duplicates Z: 76 56.783 2.438 0.811 0.475 0.880 0.640 CB 1.730 76 residues pruned to eliminate duplicates Z: 74 58.269 2.426 0.873 0.494 0.890 0.630 CB 1.697 74 residues pruned to eliminate duplicates Z: 66 48.245 2.339 0.648 0.522 0.923 0.677 CB 1.645 66 residues pruned to eliminate duplicates Z: 79 57.765 2.428 0.857 0.499 0.872 0.603 CB 1.666 79 residues pruned to eliminate duplicates Z: 66 51.316 2.425 0.722 0.500 0.892 0.677 CB 1.708 66 residues pruned to eliminate duplicates Z: 45 37.651 2.300 0.760 0.477 0.818 0.500 CB 1.755 45 residues pruned to eliminate duplicates Z: 30 43.810 2.330 0.782 0.609 1.000 0.552 CB 1.767 30 residues pruned to eliminate duplicates Z: 31 33.755 2.294 0.652 0.573 0.933 0.500 CB 1.624 31 residues pruned to eliminate duplicates Z: 62 55.268 2.445 0.788 0.536 0.902 0.705 CB 1.732 62 residues pruned to eliminate duplicates Z: 78 56.151 2.406 0.883 0.516 0.844 0.636 CB 1.646 78 residues pruned to eliminate duplicates Z: 47 33.553 2.322 0.629 0.458 0.826 0.500 CB 1.652 47 residues pruned to eliminate duplicates Z: 34 31.486 2.424 0.897 0.435 0.818 0.545 CB 1.559 34 residues pruned to eliminate duplicates Z: 70 41.732 2.354 0.746 0.400 0.783 0.493 CB 1.735 70 residues pruned to eliminate duplicates Z: 29 41.661 2.380 0.733 0.628 0.964 0.607 CB 1.755 29 residues pruned to eliminate duplicates Z: 29 41.023 2.390 0.627 0.648 1.000 0.750 CB 1.737 29 residues pruned to eliminate duplicates Z: 64 50.354 2.491 0.883 0.437 0.825 0.603 CB 1.749 64 residues pruned to eliminate duplicates Z: 51 34.712 2.290 0.667 0.425 0.820 0.480 CB 1.695 51 residues pruned to eliminate duplicates Z: 76 55.808 2.391 0.809 0.457 0.880 0.640 CB 1.768 76 residues pruned to eliminate duplicates Z: 53 42.424 2.314 0.726 0.510 0.846 0.596 CB 1.723 53 residues pruned to eliminate duplicates Z: 77 62.967 2.452 0.889 0.516 0.882 0.658 CB 1.742 77 residues pruned to eliminate duplicates Z: 30 37.906 2.358 0.590 0.616 0.966 0.586 CB 1.741 30 residues pruned to eliminate duplicates Z: 45 48.600 2.399 0.851 0.537 0.932 0.545 CB 1.709 45 residues pruned to eliminate duplicates Z: 57 63.336 2.455 0.823 0.576 0.982 0.714 CB 1.790 57 residues pruned to eliminate duplicates Z: 45 40.434 2.302 0.635 0.487 0.932 0.500 CB 1.761 45 residues pruned to eliminate duplicates Z: 44 40.941 2.330 0.774 0.479 0.884 0.558 CB 1.746 44 residues pruned to eliminate duplicates Z: 49 38.681 2.288 0.699 0.474 0.917 0.562 CB 1.608 49 residues pruned to eliminate duplicates Z: 31 43.468 2.344 0.752 0.614 1.000 0.633 CB 1.735 31 residues pruned to eliminate duplicates Z: 44 37.460 2.229 0.754 0.474 0.884 0.442 CB 1.697 44 residues pruned to eliminate duplicates Z: 54 44.511 2.336 0.867 0.517 0.849 0.566 CB 1.623 54 residues pruned to eliminate duplicates Z: 57 61.745 2.437 0.881 0.577 0.964 0.607 CB 1.733 57 residues pruned to eliminate duplicates Z: 32 39.322 2.205 0.840 0.600 0.935 0.548 CB 1.692 32 residues pruned to eliminate duplicates Z: 77 64.492 2.439 0.931 0.510 0.908 0.697 CB 1.712 77 residues pruned to eliminate duplicates Z: 66 61.602 2.458 1.084 0.451 0.908 0.585 CB 1.728 66 residues pruned to eliminate duplicates Z: 12 20.097 2.465 1.094 0.261 0.909 0.545 CB 1.697 12 residues pruned to eliminate duplicates Z: 40 47.346 2.431 1.004 0.525 0.923 0.615 CB 1.645 40 residues pruned to eliminate duplicates Z: 45 54.130 2.438 1.115 0.482 0.955 0.659 CB 1.687 45 residues pruned to eliminate duplicates Z: 57 62.003 2.437 0.826 0.595 0.964 0.679 CB 1.763 57 residues pruned to eliminate duplicates Z: 77 56.565 2.393 0.868 0.481 0.855 0.566 CB 1.730 77 residues pruned to eliminate duplicates Z: 33 39.361 2.350 0.859 0.523 0.969 0.562 CB 1.608 33 residues pruned to eliminate duplicates Z: 67 54.911 2.396 0.879 0.520 0.879 0.682 CB 1.675 67 residues pruned to eliminate duplicates Z: 57 57.728 2.422 0.788 0.591 0.946 0.661 CB 1.725 57 residues pruned to eliminate duplicates Z: 19 26.615 2.468 1.288 0.278 0.833 0.667 CB 1.714 19 residues pruned to eliminate duplicates Z: 21 35.933 2.288 1.015 0.626 0.950 0.650 CB 1.630 21 residues pruned to eliminate duplicates Z: 80 65.915 2.448 0.958 0.509 0.899 0.658 CB 1.706 80 residues pruned to eliminate duplicates Z: 32 41.940 2.404 0.847 0.516 0.968 0.645 CB 1.725 32 residues pruned to eliminate duplicates Z: 75 68.463 2.509 0.912 0.538 0.932 0.649 CB 1.714 75 residues pruned to eliminate duplicates Z: 72 58.574 2.441 0.802 0.529 0.915 0.620 CB 1.677 72 residues pruned to eliminate duplicates Z: 79 57.233 2.413 0.785 0.511 0.872 0.590 CB 1.707 79 residues pruned to eliminate duplicates Z: 20 29.065 2.328 0.553 0.668 0.947 0.789 CB 1.666 20 residues pruned to eliminate duplicates Z: 66 55.860 2.413 0.799 0.528 0.923 0.692 CB 1.683 66 residues pruned to eliminate duplicates Z: 67 54.494 2.366 0.844 0.514 0.894 0.621 CB 1.696 67 residues pruned to eliminate duplicates Z: 21 37.783 2.329 1.005 0.655 0.950 0.750 CB 1.649 21 residues pruned to eliminate duplicates Z: 21 33.094 2.264 0.984 0.640 0.900 0.700 CB 1.606 21 residues pruned to eliminate duplicates Z: 70 66.375 2.481 1.043 0.491 0.928 0.681 CB 1.716 70 residues pruned to eliminate duplicates Z: 21 38.290 2.381 1.044 0.645 0.950 0.700 CB 1.618 21 residues pruned to eliminate duplicates Z: 56 61.780 2.459 0.951 0.582 0.927 0.673 CB 1.731 56 residues pruned to eliminate duplicates Z: 20 41.124 2.421 1.094 0.692 0.947 0.632 CB 1.647 20 residues pruned to eliminate duplicates Z: 65 58.402 2.458 0.824 0.533 0.922 0.656 CB 1.710 65 residues pruned to eliminate duplicates Z: 17 19.868 2.356 0.695 0.415 0.750 0.625 CA 1.813 17 residues pruned to eliminate duplicates Z: 16 22.587 2.461 0.628 0.460 0.800 0.533 CB 1.896 18 residues pruned to eliminate duplicates Z: 7 12.883 2.175 0.375 0.524 1.000 0.500 CA 1.718 7 residues pruned to eliminate duplicates Z: 16 25.365 2.396 0.716 0.467 0.933 0.800 CB 1.765 16 residues pruned to eliminate duplicates Z: 6 7.874 2.274 0.448 0.376 1.000 0.600 CA 1.222 6 residues pruned to eliminate duplicates Z: 20 17.446 2.301 0.499 0.436 0.842 0.684 CB 1.471 20 residues pruned to eliminate duplicates Z: 7 7.097 1.880 0.827 0.312 0.667 0.500 CA 1.558 4 residues pruned to eliminate duplicates Z: 6 4.555 1.813 0.589 0.406 0.800 0.600 CA 0.976 6 residues pruned to eliminate duplicates Z: 9 32.388 2.613 1.224 0.605 1.000 0.875 CB 1.783 13 residues pruned to eliminate duplicates Z: 7 11.706 2.056 0.517 0.420 1.000 0.500 CA 1.665 7 residues pruned to eliminate duplicates Z: 10 18.496 2.389 1.093 0.577 0.778 0.667 CB 1.472 10 residues pruned to eliminate duplicates Z: 17 18.922 2.127 0.647 0.449 0.875 0.688 CA 1.627 17 residues pruned to eliminate duplicates Z: 15 18.811 2.158 0.804 0.415 0.786 0.786 CA 1.797 15 residues pruned to eliminate duplicates Z: 16 18.507 2.141 0.711 0.484 0.867 0.800 CA 1.530 16 residues pruned to eliminate duplicates Z: 23 15.154 1.999 0.560 0.332 0.818 0.591 CB 1.522 23 residues pruned to eliminate duplicates Z: 18 15.812 2.085 0.635 0.391 0.824 0.588 CA 1.532 18 residues pruned to eliminate duplicates Z: 31 28.136 2.154 0.795 0.453 0.833 0.600 CB 1.672 31 residues pruned to eliminate duplicates Z: 15 15.878 2.098 0.743 0.398 0.857 0.571 CA 1.508 15 residues pruned to eliminate duplicates Z: 17 16.718 2.098 0.540 0.348 0.875 0.625 CA 1.744 17 residues pruned to eliminate duplicates Z: 14 15.799 2.030 0.563 0.462 1.000 0.538 CB 1.435 14 residues pruned to eliminate duplicates Z: 24 20.170 2.098 0.793 0.384 0.783 0.609 CA 1.617 15 residues pruned to eliminate duplicates Z: 6 9.485 1.889 0.485 0.623 1.000 0.800 CB 1.346 Z: 6 4.970 1.787 0.448 0.438 1.000 0.600 CB 0.915 6 residues pruned to eliminate duplicates Z: 6 2.346 1.455 0.948 0.416 1.000 0.600 CB 0.404 6 residues pruned to eliminate duplicates Z: 18 30.457 2.303 1.119 0.521 0.941 0.824 CB 1.575 18 residues pruned to eliminate duplicates Z: 13 17.249 1.924 1.047 0.564 0.917 0.833 CB 1.296 13 residues pruned to eliminate duplicates Z: 117 56.887 2.261 0.802 0.428 0.862 0.586 CB 1.620 117 residues pruned to eliminate duplicates Z: 46 36.871 2.163 0.767 0.477 0.867 0.689 CA 1.698 46 residues pruned to eliminate duplicates Z: 32 37.701 2.204 0.989 0.636 0.871 0.806 CB 1.561 32 residues pruned to eliminate duplicates Z: 11 17.457 2.167 1.167 0.586 0.800 0.800 CB 1.353 11 residues pruned to eliminate duplicates Z: 23 23.749 2.172 0.797 0.386 0.864 0.727 CB 1.695 23 residues pruned to eliminate duplicates Z: 31 40.289 2.252 0.870 0.627 0.967 0.833 CB 1.603 31 residues pruned to eliminate duplicates Z: 17 32.444 2.383 1.274 0.557 0.875 0.812 CB 1.619 17 residues pruned to eliminate duplicates Z: 84 55.189 2.278 0.849 0.473 0.904 0.675 CB 1.636 84 residues pruned to eliminate duplicates Z: 18 32.504 2.257 1.264 0.535 0.882 0.765 CB 1.690 18 residues pruned to eliminate duplicates Z: 32 38.472 2.145 0.996 0.629 0.903 0.806 CB 1.582 32 residues pruned to eliminate duplicates Z: 8 21.037 2.335 1.291 0.518 0.857 0.714 CB 1.703 8 residues pruned to eliminate duplicates Z: 43 38.981 2.136 0.905 0.486 0.881 0.619 CB 1.703 43 residues pruned to eliminate duplicates Z: 92 61.942 2.333 0.935 0.479 0.868 0.582 CB 1.693 54 residues pruned to eliminate duplicates Z: 6 3.186 1.767 0.124 0.245 0.800 0.600 CA 1.203 6 residues pruned to eliminate duplicates Z: 18 24.187 2.139 0.610 0.684 0.941 0.765 CB 1.529 18 residues pruned to eliminate duplicates Z: 14 26.505 2.167 0.637 0.804 0.923 0.846 CB 1.720 14 residues pruned to eliminate duplicates Z: 84 49.136 2.265 0.763 0.423 0.904 0.590 CB 1.619 84 residues pruned to eliminate duplicates Z: 24 24.819 2.149 0.629 0.580 0.913 0.652 CB 1.499 24 residues pruned to eliminate duplicates Z: 88 51.393 2.272 0.793 0.442 0.897 0.563 CB 1.601 88 residues pruned to eliminate duplicates Z: 75 50.551 2.270 0.738 0.478 0.932 0.662 CB 1.632 75 residues pruned to eliminate duplicates Z: 24 31.166 2.133 0.901 0.635 0.913 0.739 CB 1.547 24 residues pruned to eliminate duplicates Z: 72 45.545 2.218 0.777 0.496 0.887 0.620 CB 1.552 72 residues pruned to eliminate duplicates Z: 33 40.918 2.185 0.903 0.655 0.938 0.719 CB 1.607 33 residues pruned to eliminate duplicates Z: 97 53.778 2.264 0.816 0.451 0.885 0.604 CB 1.586 97 residues pruned to eliminate duplicates Z: 17 21.357 2.106 0.685 0.698 0.875 0.750 CB 1.436 17 residues pruned to eliminate duplicates Z: 68 46.285 2.232 0.772 0.490 0.896 0.627 CB 1.612 68 residues pruned to eliminate duplicates Z: 98 53.013 2.263 0.761 0.457 0.887 0.598 CB 1.592 98 residues pruned to eliminate duplicates Z: 82 48.531 2.269 0.759 0.432 0.889 0.531 CB 1.630 82 residues pruned to eliminate duplicates Z: 23 21.109 2.034 0.724 0.530 0.864 0.500 CB 1.442 23 residues pruned to eliminate duplicates Z: 73 38.149 2.165 0.710 0.364 0.889 0.597 CB 1.582 73 residues pruned to eliminate duplicates Z: 74 41.142 2.291 0.771 0.365 0.849 0.562 CB 1.615 74 residues pruned to eliminate duplicates Z: 71 41.408 2.314 0.787 0.378 0.857 0.571 CB 1.591 71 residues pruned to eliminate duplicates Z: 105 60.414 2.347 0.786 0.464 0.894 0.635 CB 1.639 105 residues pruned to eliminate duplicates Z: 6 6.705 1.808 0.793 0.358 0.800 0.800 C 1.349 6 residues pruned to eliminate duplicates Z: 71 41.020 2.233 0.798 0.382 0.871 0.557 CB 1.588 71 residues pruned to eliminate duplicates Z: 69 40.741 2.327 0.761 0.373 0.853 0.588 CB 1.618 69 residues pruned to eliminate duplicates Z: 82 52.793 2.283 0.884 0.441 0.877 0.543 CB 1.654 82 residues pruned to eliminate duplicates Z: 97 58.602 2.263 0.908 0.454 0.885 0.573 CB 1.640 97 residues pruned to eliminate duplicates Z: 56 37.702 2.243 0.791 0.399 0.855 0.582 CB 1.647 56 residues pruned to eliminate duplicates Z: 56 36.000 2.160 0.839 0.396 0.891 0.636 CB 1.531 56 residues pruned to eliminate duplicates Z: 64 41.885 2.312 0.723 0.406 0.889 0.635 CB 1.645 64 residues pruned to eliminate duplicates Z: 74 44.669 2.297 0.778 0.400 0.890 0.562 CB 1.597 74 residues pruned to eliminate duplicates Z: 48 39.432 2.295 0.766 0.448 0.894 0.702 CB 1.675 48 residues pruned to eliminate duplicates Z: 98 51.666 2.298 0.831 0.412 0.856 0.598 CB 1.598 98 residues pruned to eliminate duplicates Z: 51 38.378 2.271 0.832 0.425 0.900 0.660 CB 1.567 51 residues pruned to eliminate duplicates Z: 63 46.229 2.277 0.920 0.427 0.903 0.597 CB 1.604 63 residues pruned to eliminate duplicates Z: 52 40.006 2.267 0.914 0.410 0.882 0.569 CB 1.607 52 residues pruned to eliminate duplicates Z: 59 45.328 2.321 0.817 0.421 0.897 0.638 CB 1.709 59 residues pruned to eliminate duplicates Z: 70 47.311 2.295 0.836 0.409 0.913 0.594 CB 1.628 70 residues pruned to eliminate duplicates Z: 47 41.846 2.288 0.867 0.450 0.935 0.587 CB 1.627 47 residues pruned to eliminate duplicates Z: 65 46.628 2.261 0.868 0.411 0.922 0.641 CB 1.643 65 residues pruned to eliminate duplicates Z: 88 45.708 2.244 0.805 0.394 0.862 0.563 CB 1.569 88 residues pruned to eliminate duplicates Z: 44 41.740 2.291 0.909 0.465 0.907 0.628 CB 1.663 44 residues pruned to eliminate duplicates Z: 64 43.649 2.287 0.939 0.410 0.841 0.635 CB 1.620 64 residues pruned to eliminate duplicates Z: 72 45.050 2.325 0.922 0.387 0.859 0.648 CB 1.570 72 residues pruned to eliminate duplicates Z: 51 40.543 2.209 1.008 0.423 0.880 0.620 CB 1.592 51 residues pruned to eliminate duplicates Z: 89 53.503 2.204 0.951 0.489 0.886 0.648 CB 1.512 95 residues pruned to eliminate duplicates Z: 45 39.115 2.263 0.930 0.426 0.909 0.636 CB 1.604 45 residues pruned to eliminate duplicates Z: 64 49.868 2.231 0.913 0.487 0.937 0.651 CB 1.592 64 residues pruned to eliminate duplicates Z: 52 41.098 2.201 0.878 0.436 0.922 0.686 CB 1.613 52 residues pruned to eliminate duplicates Z: 88 42.592 2.240 0.720 0.385 0.851 0.598 CB 1.574 88 residues pruned to eliminate duplicates Z: 67 46.707 2.344 0.895 0.406 0.864 0.606 CB 1.655 67 residues pruned to eliminate duplicates Z: 87 42.350 2.163 0.844 0.364 0.895 0.547 CB 1.481 87 residues pruned to eliminate duplicates Z: 52 42.721 2.305 0.918 0.415 0.941 0.686 CB 1.572 52 residues pruned to eliminate duplicates Z: 44 25.716 2.143 0.741 0.313 0.860 0.488 CB 1.502 44 residues pruned to eliminate duplicates Z: 98 50.707 2.248 0.986 0.395 0.856 0.660 CB 1.506 98 residues pruned to eliminate duplicates Z: 70 43.963 2.292 0.975 0.369 0.841 0.580 CB 1.600 70 residues pruned to eliminate duplicates Z: 81 43.405 2.220 0.897 0.376 0.838 0.550 CB 1.570 81 residues pruned to eliminate duplicates Z: 61 45.728 2.223 0.946 0.437 0.917 0.650 CB 1.589 61 residues pruned to eliminate duplicates Z: 69 44.163 2.314 0.941 0.369 0.868 0.588 CB 1.581 69 residues pruned to eliminate duplicates Z: 65 45.369 2.301 0.999 0.384 0.859 0.578 CB 1.623 65 residues pruned to eliminate duplicates Z: 35 23.301 2.207 0.731 0.293 0.824 0.529 CB 1.602 35 residues pruned to eliminate duplicates Z: 59 47.634 2.331 1.039 0.420 0.862 0.655 CB 1.658 59 residues pruned to eliminate duplicates Z: 70 40.442 2.197 0.947 0.380 0.826 0.522 CB 1.566 70 residues pruned to eliminate duplicates Z: 58 35.958 2.258 0.965 0.350 0.825 0.544 CB 1.531 58 residues pruned to eliminate duplicates Z: 69 43.161 2.282 1.007 0.378 0.824 0.632 CB 1.581 69 residues pruned to eliminate duplicates Z: 55 34.747 2.242 0.887 0.390 0.815 0.593 CB 1.542 55 residues pruned to eliminate duplicates Z: 13 17.795 2.287 0.933 0.404 0.750 0.667 CB 1.714 13 residues pruned to eliminate duplicates Z: 56 33.638 2.202 0.875 0.356 0.855 0.618 CB 1.502 56 residues pruned to eliminate duplicates Z: 66 43.146 2.267 0.856 0.398 0.892 0.538 CB 1.586 66 residues pruned to eliminate duplicates Z: 104 57.580 2.263 0.937 0.415 0.874 0.612 CB 1.619 104 residues pruned to eliminate duplicates Z: 87 54.056 2.276 0.921 0.441 0.907 0.593 CB 1.563 87 residues pruned to eliminate duplicates Z: 21 17.507 2.207 0.724 0.290 0.850 0.600 CB 1.532 21 residues pruned to eliminate duplicates Z: 92 54.327 2.341 1.005 0.363 0.868 0.604 CB 1.620 92 residues pruned to eliminate duplicates Z: 37 28.464 2.231 0.794 0.341 0.917 0.639 CB 1.538 37 residues pruned to eliminate duplicates Z: 72 50.549 2.292 0.983 0.408 0.930 0.746 CB 1.564 72 residues pruned to eliminate duplicates Z: 77 49.726 2.264 0.904 0.414 0.895 0.618 CB 1.618 77 residues pruned to eliminate duplicates Z: 70 41.624 2.244 0.893 0.393 0.855 0.594 CB 1.545 70 residues pruned to eliminate duplicates Z: 98 56.823 2.249 0.925 0.453 0.876 0.639 CB 1.597 98 residues pruned to eliminate duplicates Z: 99 60.915 2.292 1.012 0.435 0.888 0.561 CB 1.608 99 residues pruned to eliminate duplicates Z: 30 23.471 2.282 0.692 0.316 0.862 0.621 CB 1.605 30 residues pruned to eliminate duplicates Z: 71 47.465 2.308 0.929 0.388 0.914 0.600 CB 1.569 71 residues pruned to eliminate duplicates Z: 85 53.701 2.296 0.953 0.431 0.881 0.595 CB 1.594 85 residues pruned to eliminate duplicates Z: 71 50.003 2.335 0.951 0.388 0.900 0.586 CB 1.643 71 residues pruned to eliminate duplicates Z: 68 47.239 2.303 0.923 0.390 0.925 0.597 CB 1.582 68 residues pruned to eliminate duplicates Z: 71 46.837 2.314 0.917 0.395 0.900 0.629 CB 1.567 71 residues pruned to eliminate duplicates Z: 7 8.059 2.084 0.376 0.482 0.833 0.333 CB 1.402 7 residues pruned to eliminate duplicates Z: 9 17.546 2.060 1.135 0.561 0.875 0.625 CB 1.520 9 residues pruned to eliminate duplicates Z: 52 57.736 2.454 1.000 0.497 0.863 0.627 CB 1.917 52 residues pruned to eliminate duplicates Z: 8 25.398 2.444 1.238 0.586 0.857 0.571 CA 1.885 8 residues pruned to eliminate duplicates Z: 25 32.546 2.431 0.978 0.356 0.833 0.500 CB 1.936 25 residues pruned to eliminate duplicates Z: 74 59.376 2.316 0.963 0.501 0.877 0.589 CB 1.741 74 residues pruned to eliminate duplicates Z: 14 24.758 2.390 1.159 0.422 0.769 0.692 CA 1.877 14 residues pruned to eliminate duplicates Z: 19 31.816 2.539 1.104 0.332 0.889 0.500 CA 1.898 19 residues pruned to eliminate duplicates Z: 33 31.369 2.422 0.916 0.286 0.812 0.438 CB 1.871 33 residues pruned to eliminate duplicates Z: 35 35.161 2.376 1.017 0.374 0.853 0.529 CB 1.688 35 residues pruned to eliminate duplicates Z: 50 61.187 2.512 0.995 0.525 0.898 0.592 CB 1.894 50 residues pruned to eliminate duplicates Z: 26 24.262 2.342 0.980 0.255 0.800 0.440 CB 1.733 26 residues pruned to eliminate duplicates Z: 47 53.566 2.494 0.926 0.493 0.891 0.630 CB 1.857 47 residues pruned to eliminate duplicates Z: 83 50.392 2.292 0.925 0.385 0.878 0.573 CB 1.623 83 residues pruned to eliminate duplicates Z: 93 51.760 2.323 0.842 0.357 0.870 0.500 CB 1.691 93 residues pruned to eliminate duplicates Z: 66 58.572 2.475 0.808 0.498 0.938 0.708 CB 1.733 66 residues pruned to eliminate duplicates Z: 25 30.711 2.485 0.950 0.371 0.833 0.417 CB 1.783 25 residues pruned to eliminate duplicates Z: 14 8.455 2.109 0.696 0.175 0.769 0.154 CB 1.262 14 residues pruned to eliminate duplicates Z: 64 62.147 2.499 0.999 0.465 0.889 0.587 CB 1.826 64 residues pruned to eliminate duplicates Z: 7 4.326 2.212 0.146 0.269 0.667 0.500 CB 1.359 7 residues pruned to eliminate duplicates Z: 71 47.386 2.394 0.854 0.386 0.857 0.543 CB 1.680 71 residues pruned to eliminate duplicates Z: 8 3.008 1.439 0.807 0.428 0.429 0.286 N 1.099 Z: 6 8.625 1.890 0.994 0.426 1.000 0.800 CB 1.106 5 residues pruned to eliminate duplicates Z: 6 11.717 2.337 0.428 0.601 0.800 0.400 CA 1.783 Z: 8 10.418 1.812 0.741 0.540 1.000 0.286 CA 1.200 6 residues pruned to eliminate duplicates Z: 6 9.736 2.079 0.786 0.616 0.800 0.600 CA 1.313 14 residues pruned to eliminate duplicates Z: 31 43.980 2.370 0.823 0.593 0.967 0.533 CB 1.759 40 residues pruned to eliminate duplicates Z: 51 53.530 2.368 0.980 0.516 0.900 0.580 CB 1.766 54 residues pruned to eliminate duplicates Z: 20 30.671 2.262 0.510 0.796 0.947 0.789 CB 1.678 20 residues pruned to eliminate duplicates Z: 58 58.240 2.458 0.760 0.560 0.965 0.684 CB 1.742 58 residues pruned to eliminate duplicates Z: 29 46.351 2.445 0.873 0.668 0.964 0.607 CB 1.699 29 residues pruned to eliminate duplicates Z: 50 58.911 2.473 1.019 0.544 0.898 0.592 CB 1.799 51 residues pruned to eliminate duplicates Z: 17 36.631 2.393 0.734 0.905 0.875 0.875 CB 1.795 17 residues pruned to eliminate duplicates Z: 32 46.918 2.339 0.958 0.579 0.968 0.516 CB 1.763 32 residues pruned to eliminate duplicates Z: 45 43.639 2.384 0.780 0.454 0.955 0.523 CB 1.703 39 residues pruned to eliminate duplicates Z: 15 46.239 2.439 0.853 0.940 1.000 0.857 CA 1.899 15 residues pruned to eliminate duplicates Z: 57 63.378 2.481 0.827 0.597 0.964 0.643 CB 1.765 62 residues pruned to eliminate duplicates Z: 16 46.956 2.475 0.928 0.909 0.933 0.800 CA 1.932 16 residues pruned to eliminate duplicates Z: 63 59.063 2.440 0.848 0.562 0.935 0.677 CB 1.674 63 residues pruned to eliminate duplicates Z: 41 44.907 2.435 0.923 0.482 0.875 0.475 CB 1.766 41 residues pruned to eliminate duplicates Z: 57 67.564 2.470 0.924 0.605 0.964 0.714 CB 1.784 57 residues pruned to eliminate duplicates Z: 63 59.193 2.402 0.915 0.531 0.935 0.613 CB 1.695 63 residues pruned to eliminate duplicates Z: 17 43.641 2.421 0.869 0.808 0.938 0.562 CB 1.966 17 residues pruned to eliminate duplicates Z: 34 36.910 2.243 0.882 0.550 0.909 0.576 CB 1.595 34 residues pruned to eliminate duplicates Z: 56 64.852 2.497 0.936 0.588 0.964 0.673 CB 1.725 57 residues pruned to eliminate duplicates Z: 7 6.557 1.809 0.392 0.307 1.000 0.333 CA 1.318 Z: 8 10.845 2.053 0.945 0.391 1.000 0.286 CB 1.152 15 residues pruned to eliminate duplicates Z: 31 40.373 2.479 0.773 0.536 0.967 0.800 CB 1.675 31 residues pruned to eliminate duplicates Z: 11 25.740 2.640 1.272 0.251 1.000 0.700 CB 1.808 11 residues pruned to eliminate duplicates Z: 56 54.600 2.376 0.965 0.548 0.964 0.636 CB 1.561 55 residues pruned to eliminate duplicates Z: 6 9.017 2.067 0.333 0.401 1.000 0.800 CB 1.625 6 residues pruned to eliminate duplicates Z: 81 64.410 2.426 0.911 0.509 0.900 0.562 CB 1.711 81 residues pruned to eliminate duplicates Z: 32 40.093 2.432 0.952 0.522 0.935 0.710 CB 1.586 32 residues pruned to eliminate duplicates Z: 54 53.789 2.418 0.891 0.550 0.943 0.698 CB 1.631 54 residues pruned to eliminate duplicates Z: 56 54.601 2.415 0.974 0.550 0.927 0.636 CB 1.586 56 residues pruned to eliminate duplicates Z: 54 54.220 2.404 0.891 0.549 0.962 0.623 CB 1.624 54 residues pruned to eliminate duplicates Z: 21 33.802 2.321 0.761 0.664 1.000 0.900 CB 1.589 21 residues pruned to eliminate duplicates Z: 32 35.021 2.410 0.784 0.531 0.935 0.710 CB 1.517 32 residues pruned to eliminate duplicates Z: 18 28.318 2.241 0.451 0.753 1.000 0.824 CB 1.686 18 residues pruned to eliminate duplicates Z: 31 40.572 2.468 0.918 0.513 0.967 0.633 CB 1.599 31 residues pruned to eliminate duplicates Z: 31 37.450 2.466 0.736 0.527 0.967 0.633 CB 1.609 31 residues pruned to eliminate duplicates Z: 20 40.754 2.388 0.853 0.708 1.000 0.789 CB 1.749 20 residues pruned to eliminate duplicates Z: 21 30.839 2.275 0.710 0.665 0.950 0.850 CB 1.601 21 residues pruned to eliminate duplicates Z: 151 83.352 2.352 0.983 0.468 0.913 0.607 CB 1.651 151 residues pruned to eliminate duplicates Z: 175 83.011 2.317 1.000 0.437 0.891 0.638 CB 1.626 181 residues pruned to eliminate duplicates Z: 34 35.283 2.380 0.822 0.514 0.909 0.667 CB 1.537 34 residues pruned to eliminate duplicates Z: 15 31.231 2.154 0.720 0.910 1.000 0.929 CB 1.598 15 residues pruned to eliminate duplicates Z: 16 33.330 2.094 0.829 0.909 1.000 0.800 CB 1.595 16 residues pruned to eliminate duplicates Z: 14 31.751 2.225 0.867 0.907 1.000 0.692 CB 1.506 14 residues pruned to eliminate duplicates Z: 14 39.613 2.225 1.097 0.891 1.000 0.769 CB 1.692 15 residues pruned to eliminate duplicates Z: 15 35.493 2.169 0.909 0.912 1.000 0.786 CB 1.623 14 residues pruned to eliminate duplicates Z: 15 26.156 2.087 0.636 0.909 1.000 0.857 CB 1.453 15 residues pruned to eliminate duplicates 366 residues left after pruning, divided into chains as follows: A: 15 B: 178 C: 153 D: 20 CC for partial structure against native data = 42.59 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.537, Connect. = 0.761 for dens.mod. cycle 1 = 0.300, Contrast = 0.618, Connect. = 0.791 for dens.mod. cycle 2 = 0.300, Contrast = 0.733, Connect. = 0.817 for dens.mod. cycle 3 = 0.300, Contrast = 0.747, Connect. = 0.820 for dens.mod. cycle 4 = 0.300, Contrast = 0.761, Connect. = 0.823 for dens.mod. cycle 5 = 0.300, Contrast = 0.767, Connect. = 0.825 for dens.mod. cycle 6 = 0.300, Contrast = 0.772, Connect. = 0.826 for dens.mod. cycle 7 = 0.300, Contrast = 0.775, Connect. = 0.827 for dens.mod. cycle 8 = 0.300, Contrast = 0.777, Connect. = 0.828 for dens.mod. cycle 9 = 0.300, Contrast = 0.778, Connect. = 0.828 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2568 peaks > 0.5 sigma used to seed fragment search Space for about 560 unique residues taking solvent into account 590 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 79 65.286 2.437 0.884 0.490 0.923 0.590 CB 1.761 B: 24 29.805 2.401 1.044 0.356 0.870 0.522 CB 1.701 24 residues pruned to eliminate duplicates C: 12 48.795 2.531 1.103 0.925 1.000 0.818 CA 1.940 D: 12 37.459 2.498 0.713 0.914 1.000 1.000 CB 1.868 12 residues pruned to eliminate duplicates E: 12 46.568 2.525 0.995 0.935 1.000 0.909 CB 1.942 12 residues pruned to eliminate duplicates F: 12 45.002 2.565 0.844 0.918 1.000 1.000 CA 2.023 12 residues pruned to eliminate duplicates G: 14 27.973 2.262 0.459 0.878 1.000 0.923 CB 1.706 15 residues pruned to eliminate duplicates H: 20 35.223 2.303 1.254 0.474 0.947 0.632 CB 1.686 I: 79 65.759 2.440 0.917 0.499 0.897 0.590 CB 1.775 79 residues pruned to eliminate duplicates J: 10 16.241 2.181 0.670 0.459 0.889 0.556 CA 1.744 10 residues pruned to eliminate duplicates K: 10 9.007 2.227 0.912 0.358 0.556 0.444 CA 1.479 10 residues pruned to eliminate duplicates L: 16 44.122 2.376 0.955 0.919 0.933 0.533 CB 1.852 16 residues pruned to eliminate duplicates M: 13 41.336 2.365 1.202 0.831 0.917 0.833 CA 1.877 13 residues pruned to eliminate duplicates N: 38 59.831 2.571 1.299 0.553 0.838 0.757 CB 1.886 39 residues pruned to eliminate duplicates O: 11 24.583 2.234 1.180 0.548 0.900 0.600 CB 1.693 11 residues pruned to eliminate duplicates P: 15 26.048 2.149 0.550 0.829 0.929 0.786 CB 1.693 15 residues pruned to eliminate duplicates Q: 12 44.995 2.422 1.028 0.892 1.000 0.909 CA 1.983 12 residues pruned to eliminate duplicates R: 79 48.096 2.306 0.965 0.368 0.872 0.538 CB 1.588 9 residues pruned to eliminate duplicates S: 21 26.205 2.360 0.986 0.327 0.850 0.550 CB 1.778 21 residues pruned to eliminate duplicates T: 16 20.704 2.036 0.298 0.884 0.933 0.733 CB 1.566 16 residues pruned to eliminate duplicates U: 52 56.386 2.450 0.939 0.518 0.902 0.471 CB 1.811 V: 15 28.033 2.116 0.555 0.895 1.000 0.929 CB 1.633 W: 13 45.856 2.340 1.218 0.922 1.000 0.750 CA 1.794 13 residues pruned to eliminate duplicates X: 6 7.337 2.136 0.491 0.707 0.600 0.600 CA 1.422 Y: 90 54.899 2.393 0.910 0.380 0.865 0.562 CB 1.672 92 residues pruned to eliminate duplicates Z: 15 53.781 2.484 1.081 0.919 1.000 0.786 CA 1.959 15 residues pruned to eliminate duplicates Z: 169 82.159 2.332 0.879 0.456 0.899 0.619 CB 1.683 73 residues pruned to eliminate duplicates Z: 20 31.394 2.298 1.170 0.417 0.947 0.684 CB 1.662 20 residues pruned to eliminate duplicates Z: 15 27.012 2.153 0.482 0.888 1.000 0.714 CB 1.630 15 residues pruned to eliminate duplicates Z: 13 39.031 2.267 1.179 0.816 0.917 0.750 CA 1.891 13 residues pruned to eliminate duplicates Z: 95 53.974 2.265 0.877 0.447 0.872 0.585 CB 1.586 95 residues pruned to eliminate duplicates Z: 14 26.327 2.195 0.483 0.926 1.000 0.923 CB 1.574 14 residues pruned to eliminate duplicates Z: 16 37.019 2.340 0.844 0.899 0.933 0.800 CB 1.697 16 residues pruned to eliminate duplicates Z: 12 12.556 1.900 1.041 0.310 0.818 0.545 CA 1.473 12 residues pruned to eliminate duplicates Z: 16 21.430 2.178 1.124 0.477 0.867 0.733 CB 1.412 10 residues pruned to eliminate duplicates Z: 6 9.476 2.184 0.356 0.601 0.800 0.600 CB 1.624 6 residues pruned to eliminate duplicates Z: 21 32.225 2.423 1.107 0.311 0.900 0.450 CA 1.935 21 residues pruned to eliminate duplicates Z: 85 53.251 2.276 0.829 0.479 0.881 0.643 CB 1.618 85 residues pruned to eliminate duplicates Z: 13 36.854 2.315 1.072 0.805 0.917 0.833 CA 1.855 13 residues pruned to eliminate duplicates Z: 15 39.409 2.415 1.007 0.918 0.857 0.643 CB 1.788 15 residues pruned to eliminate duplicates Z: 20 29.282 2.358 0.506 0.685 0.947 0.789 CB 1.685 20 residues pruned to eliminate duplicates Z: 17 38.608 2.320 0.792 0.914 0.938 0.875 CA 1.752 17 residues pruned to eliminate duplicates Z: 29 18.339 2.202 0.517 0.335 0.750 0.393 CB 1.658 20 residues pruned to eliminate duplicates Z: 27 30.473 2.334 0.825 0.508 0.885 0.654 CB 1.573 27 residues pruned to eliminate duplicates Z: 15 43.036 2.521 0.738 0.898 0.929 0.929 CB 2.024 15 residues pruned to eliminate duplicates Z: 9 13.689 2.226 0.614 0.546 0.750 0.375 CA 1.718 9 residues pruned to eliminate duplicates Z: 16 25.495 2.098 0.418 0.893 1.000 0.800 CB 1.588 16 residues pruned to eliminate duplicates Z: 14 30.290 2.162 0.887 0.740 0.923 0.692 CA 1.799 14 residues pruned to eliminate duplicates Z: 22 33.154 2.500 1.176 0.435 0.810 0.524 CB 1.758 22 residues pruned to eliminate duplicates Z: 57 45.363 2.215 0.795 0.521 0.911 0.518 CB 1.641 57 residues pruned to eliminate duplicates Z: 17 19.426 2.311 0.691 0.460 0.812 0.562 CA 1.593 17 residues pruned to eliminate duplicates Z: 56 42.302 2.362 0.862 0.448 0.855 0.509 CB 1.601 56 residues pruned to eliminate duplicates Z: 65 57.946 2.406 0.903 0.482 0.906 0.609 CB 1.778 65 residues pruned to eliminate duplicates Z: 11 24.350 1.965 0.856 0.817 1.000 0.700 CA 1.603 11 residues pruned to eliminate duplicates Z: 9 16.567 2.141 0.323 0.847 0.875 0.750 CA 1.755 9 residues pruned to eliminate duplicates Z: 17 34.901 2.333 0.852 0.859 0.875 0.625 CB 1.698 17 residues pruned to eliminate duplicates Z: 33 36.651 2.354 0.922 0.532 0.938 0.625 CB 1.481 33 residues pruned to eliminate duplicates Z: 15 27.878 2.130 0.534 0.912 1.000 0.929 CB 1.614 15 residues pruned to eliminate duplicates Z: 41 49.364 2.435 0.852 0.564 0.975 0.600 CB 1.668 41 residues pruned to eliminate duplicates Z: 14 27.073 2.211 0.476 0.924 1.000 0.769 CB 1.616 14 residues pruned to eliminate duplicates Z: 31 38.783 2.455 0.914 0.549 0.933 0.667 CB 1.539 31 residues pruned to eliminate duplicates Z: 16 38.448 2.340 0.733 0.909 1.000 0.933 CA 1.737 16 residues pruned to eliminate duplicates Z: 91 58.244 2.288 0.943 0.446 0.900 0.622 CB 1.622 91 residues pruned to eliminate duplicates Z: 12 44.749 2.499 0.994 0.887 1.000 0.909 CA 1.953 12 residues pruned to eliminate duplicates Z: 64 51.878 2.334 1.047 0.422 0.905 0.651 CB 1.640 64 residues pruned to eliminate duplicates Z: 14 17.333 2.182 0.898 0.353 0.846 0.538 CB 1.608 14 residues pruned to eliminate duplicates Z: 57 49.177 2.395 0.787 0.529 0.911 0.714 CB 1.639 57 residues pruned to eliminate duplicates Z: 63 47.703 2.373 0.755 0.500 0.903 0.629 CB 1.612 63 residues pruned to eliminate duplicates Z: 55 50.083 2.361 0.843 0.546 0.944 0.667 CB 1.586 55 residues pruned to eliminate duplicates Z: 53 55.817 2.425 0.988 0.514 0.865 0.577 CB 1.829 53 residues pruned to eliminate duplicates Z: 23 45.675 2.540 1.081 0.605 0.864 0.682 CB 1.932 23 residues pruned to eliminate duplicates Z: 52 55.879 2.431 0.983 0.494 0.902 0.588 CB 1.810 52 residues pruned to eliminate duplicates Z: 50 40.622 2.347 0.696 0.446 0.918 0.510 CB 1.678 50 residues pruned to eliminate duplicates Z: 16 35.681 2.352 0.633 0.895 1.000 0.867 CA 1.720 16 residues pruned to eliminate duplicates Z: 66 52.802 2.380 0.743 0.525 0.892 0.662 CB 1.725 66 residues pruned to eliminate duplicates Z: 145 73.656 2.420 0.782 0.429 0.889 0.576 CB 1.725 145 residues pruned to eliminate duplicates Z: 10 17.684 2.107 0.510 0.883 1.000 0.889 CA 1.339 10 residues pruned to eliminate duplicates Z: 13 52.048 2.293 1.402 0.943 1.000 0.833 CA 1.891 13 residues pruned to eliminate duplicates Z: 75 50.275 2.280 0.799 0.478 0.892 0.635 CB 1.635 75 residues pruned to eliminate duplicates Z: 15 27.408 2.164 0.499 0.911 1.000 0.857 CB 1.601 15 residues pruned to eliminate duplicates Z: 16 28.235 2.099 0.557 0.915 1.000 0.933 CB 1.577 16 residues pruned to eliminate duplicates Z: 16 41.755 2.376 0.829 0.926 0.933 0.600 CB 1.864 16 residues pruned to eliminate duplicates Z: 10 21.309 2.155 0.839 0.719 0.778 0.778 CB 1.889 10 residues pruned to eliminate duplicates Z: 27 24.978 2.261 1.074 0.354 0.808 0.500 CB 1.515 27 residues pruned to eliminate duplicates Z: 15 30.551 2.155 0.623 0.901 1.000 0.714 CB 1.666 15 residues pruned to eliminate duplicates Z: 13 30.652 2.320 0.622 0.842 1.000 0.833 CB 1.752 13 residues pruned to eliminate duplicates Z: 65 43.082 2.300 0.924 0.396 0.844 0.625 CB 1.609 65 residues pruned to eliminate duplicates Z: 70 48.947 2.353 0.893 0.398 0.899 0.638 CB 1.641 70 residues pruned to eliminate duplicates Z: 80 57.114 2.259 0.989 0.496 0.911 0.671 CB 1.575 80 residues pruned to eliminate duplicates Z: 34 42.126 2.370 0.899 0.548 0.879 0.636 CB 1.769 34 residues pruned to eliminate duplicates Z: 17 41.865 2.217 0.972 0.878 1.000 0.938 CA 1.737 17 residues pruned to eliminate duplicates Z: 72 43.641 2.330 0.805 0.387 0.873 0.592 CB 1.590 72 residues pruned to eliminate duplicates Z: 20 36.696 2.410 1.162 0.534 0.947 0.737 CB 1.649 20 residues pruned to eliminate duplicates Z: 11 20.219 2.193 0.486 0.727 0.900 0.700 CA 1.777 11 residues pruned to eliminate duplicates Z: 72 48.331 2.337 0.906 0.393 0.901 0.549 CB 1.600 72 residues pruned to eliminate duplicates Z: 16 39.567 2.375 0.919 0.876 0.867 0.733 CB 1.880 16 residues pruned to eliminate duplicates Z: 6 10.913 2.038 0.343 0.734 1.000 0.800 CA 1.445 6 residues pruned to eliminate duplicates Z: 8 9.652 1.763 0.443 0.745 1.000 0.857 CB 1.152 8 residues pruned to eliminate duplicates Z: 20 22.342 2.127 0.691 0.531 0.895 0.632 CB 1.545 20 residues pruned to eliminate duplicates Z: 74 48.091 2.277 0.884 0.413 0.918 0.630 CB 1.566 74 residues pruned to eliminate duplicates Z: 72 56.961 2.418 0.865 0.503 0.859 0.606 CB 1.740 72 residues pruned to eliminate duplicates Z: 92 55.812 2.292 0.935 0.443 0.879 0.681 CB 1.591 92 residues pruned to eliminate duplicates Z: 17 36.391 2.307 0.859 0.900 0.938 0.688 CB 1.616 17 residues pruned to eliminate duplicates Z: 77 45.975 2.309 0.891 0.393 0.855 0.566 CB 1.582 77 residues pruned to eliminate duplicates Z: 26 30.488 2.365 1.223 0.346 0.800 0.560 CB 1.713 26 residues pruned to eliminate duplicates Z: 15 31.724 2.129 0.724 0.898 1.000 0.929 CB 1.653 15 residues pruned to eliminate duplicates Z: 18 23.633 2.293 0.846 0.464 0.824 0.706 CB 1.705 18 residues pruned to eliminate duplicates Z: 17 33.304 2.277 0.479 0.897 1.000 0.875 CA 1.771 17 residues pruned to eliminate duplicates Z: 53 44.720 2.303 0.967 0.423 0.904 0.692 CB 1.640 53 residues pruned to eliminate duplicates Z: 11 16.547 2.093 0.649 0.617 0.900 0.900 CB 1.507 11 residues pruned to eliminate duplicates Z: 17 38.930 2.265 0.682 0.887 1.000 0.938 CB 1.843 17 residues pruned to eliminate duplicates Z: 71 49.274 2.363 0.930 0.381 0.886 0.614 CB 1.655 71 residues pruned to eliminate duplicates Z: 15 32.745 2.155 0.812 0.867 1.000 0.643 CB 1.640 15 residues pruned to eliminate duplicates Z: 82 44.581 2.256 0.795 0.374 0.901 0.506 CB 1.552 82 residues pruned to eliminate duplicates Z: 16 35.791 2.330 0.651 0.848 1.000 0.733 CA 1.783 16 residues pruned to eliminate duplicates Z: 18 23.335 2.347 0.737 0.443 0.824 0.706 CA 1.788 18 residues pruned to eliminate duplicates Z: 21 23.083 2.138 1.138 0.431 0.800 0.750 CB 1.517 21 residues pruned to eliminate duplicates Z: 11 29.457 2.305 1.431 0.640 0.900 0.800 CB 1.620 11 residues pruned to eliminate duplicates Z: 16 31.683 2.108 0.721 0.927 1.000 0.933 CB 1.580 16 residues pruned to eliminate duplicates Z: 16 41.918 2.329 0.880 0.893 1.000 0.933 CA 1.775 16 residues pruned to eliminate duplicates Z: 14 27.697 2.244 0.448 0.910 1.000 0.846 CB 1.678 15 residues pruned to eliminate duplicates Z: 17 23.012 2.394 0.717 0.473 0.812 0.750 CB 1.771 17 residues pruned to eliminate duplicates Z: 84 73.332 2.389 1.200 0.491 0.904 0.675 CB 1.710 84 residues pruned to eliminate duplicates Z: 11 11.876 2.287 0.370 0.488 0.900 0.700 CB 1.348 11 residues pruned to eliminate duplicates Z: 13 15.103 1.804 0.249 0.888 1.000 0.833 CA 1.393 13 residues pruned to eliminate duplicates Z: 17 35.128 2.351 0.646 0.869 0.938 0.750 CB 1.769 17 residues pruned to eliminate duplicates Z: 12 9.023 1.784 0.478 0.483 0.727 0.636 CB 1.444 12 residues pruned to eliminate duplicates Z: 66 56.056 2.478 0.868 0.457 0.892 0.508 CB 1.758 66 residues pruned to eliminate duplicates Z: 18 34.273 2.425 1.250 0.540 0.882 0.647 CB 1.661 18 residues pruned to eliminate duplicates Z: 14 40.451 2.468 0.669 0.937 1.000 1.000 CB 1.896 14 residues pruned to eliminate duplicates Z: 12 14.529 1.846 0.302 0.809 1.000 0.727 CB 1.392 12 residues pruned to eliminate duplicates Z: 51 34.009 2.225 0.810 0.329 0.900 0.520 CB 1.600 51 residues pruned to eliminate duplicates Z: 15 27.168 2.087 0.768 0.882 0.929 0.714 CB 1.533 14 residues pruned to eliminate duplicates Z: 84 52.849 2.233 0.990 0.432 0.880 0.614 CB 1.593 84 residues pruned to eliminate duplicates Z: 15 20.151 2.145 1.118 0.449 0.857 0.643 CB 1.458 15 residues pruned to eliminate duplicates Z: 67 57.041 2.415 0.946 0.480 0.879 0.652 CB 1.735 67 residues pruned to eliminate duplicates Z: 7 7.328 1.765 0.434 0.760 0.833 0.500 CA 1.126 7 residues pruned to eliminate duplicates Z: 16 27.865 2.386 0.800 0.499 0.933 0.600 CA 1.797 17 residues pruned to eliminate duplicates Z: 12 50.593 2.491 1.317 0.940 1.000 0.909 CB 1.837 12 residues pruned to eliminate duplicates Z: 15 26.363 2.090 0.493 0.889 1.000 0.714 CB 1.626 15 residues pruned to eliminate duplicates Z: 16 37.959 2.357 0.696 0.911 1.000 0.733 CA 1.738 16 residues pruned to eliminate duplicates Z: 112 64.520 2.328 0.950 0.438 0.847 0.613 CB 1.698 112 residues pruned to eliminate duplicates Z: 6 12.331 2.032 0.589 0.755 1.000 0.600 CA 1.361 6 residues pruned to eliminate duplicates Z: 89 54.562 2.348 0.860 0.404 0.875 0.602 CB 1.684 89 residues pruned to eliminate duplicates Z: 36 30.122 2.194 0.631 0.522 0.857 0.543 CB 1.625 36 residues pruned to eliminate duplicates Z: 14 23.399 2.188 1.060 0.583 0.846 0.846 CB 1.572 14 residues pruned to eliminate duplicates Z: 50 47.088 2.416 0.814 0.526 0.837 0.551 CB 1.787 50 residues pruned to eliminate duplicates Z: 13 39.101 2.368 1.016 0.940 1.000 0.583 CB 1.642 13 residues pruned to eliminate duplicates Z: 83 62.275 2.415 0.827 0.506 0.890 0.695 CB 1.740 83 residues pruned to eliminate duplicates Z: 30 36.479 2.188 0.875 0.597 0.931 0.655 CB 1.616 30 residues pruned to eliminate duplicates Z: 68 64.559 2.414 1.161 0.485 0.881 0.657 CB 1.743 68 residues pruned to eliminate duplicates Z: 73 46.476 2.336 0.907 0.371 0.847 0.556 CB 1.666 73 residues pruned to eliminate duplicates Z: 10 12.210 2.016 0.944 0.523 0.778 0.667 CB 1.306 10 residues pruned to eliminate duplicates Z: 11 15.361 1.999 0.362 0.886 0.900 0.900 CB 1.430 11 residues pruned to eliminate duplicates Z: 12 19.318 1.994 0.739 0.627 0.909 0.727 CA 1.639 12 residues pruned to eliminate duplicates Z: 12 17.494 1.858 0.409 0.899 1.000 0.909 CB 1.440 12 residues pruned to eliminate duplicates Z: 62 38.538 2.323 0.913 0.375 0.820 0.459 CB 1.548 62 residues pruned to eliminate duplicates Z: 22 41.473 2.425 1.248 0.625 0.857 0.571 CB 1.721 22 residues pruned to eliminate duplicates Z: 67 59.998 2.406 0.998 0.465 0.924 0.530 CB 1.723 67 residues pruned to eliminate duplicates Z: 15 29.267 2.122 0.776 0.838 0.929 0.714 CB 1.670 15 residues pruned to eliminate duplicates Z: 64 50.398 2.309 0.998 0.439 0.905 0.667 CB 1.620 64 residues pruned to eliminate duplicates Z: 66 48.747 2.312 0.896 0.403 0.908 0.600 CB 1.684 66 residues pruned to eliminate duplicates Z: 10 16.743 2.258 1.259 0.455 0.778 0.667 CB 1.474 10 residues pruned to eliminate duplicates Z: 10 18.295 2.069 0.664 0.779 0.889 0.778 CB 1.559 10 residues pruned to eliminate duplicates Z: 49 40.669 2.307 0.778 0.450 0.917 0.625 CB 1.644 49 residues pruned to eliminate duplicates Z: 19 16.715 2.162 0.684 0.375 0.889 0.556 CB 1.391 19 residues pruned to eliminate duplicates Z: 18 26.015 2.559 1.058 0.306 0.882 0.647 CB 1.684 18 residues pruned to eliminate duplicates Z: 6 10.012 2.115 0.313 0.767 0.800 0.400 CB 1.590 6 residues pruned to eliminate duplicates Z: 31 38.039 2.193 0.863 0.612 0.933 0.733 CB 1.638 31 residues pruned to eliminate duplicates Z: 23 24.114 2.411 0.959 0.333 0.773 0.500 CB 1.691 23 residues pruned to eliminate duplicates Z: 41 29.566 1.987 0.649 0.538 0.900 0.625 CB 1.527 41 residues pruned to eliminate duplicates Z: 15 25.721 2.104 0.722 0.838 0.929 0.786 CB 1.527 15 residues pruned to eliminate duplicates Z: 8 18.540 2.034 0.399 0.867 1.000 1.000 CA 1.800 8 residues pruned to eliminate duplicates Z: 17 18.361 2.329 0.527 0.434 0.812 0.625 CB 1.701 17 residues pruned to eliminate duplicates Z: 8 11.074 2.291 0.407 0.478 0.714 0.571 CB 1.858 8 residues pruned to eliminate duplicates Z: 24 13.256 1.765 0.572 0.334 0.826 0.696 C 1.446 Z: 10 24.143 2.129 0.692 0.857 1.000 0.889 CA 1.646 10 residues pruned to eliminate duplicates Z: 9 11.397 1.800 0.430 0.758 0.875 0.875 CA 1.423 9 residues pruned to eliminate duplicates Z: 24 24.232 2.190 0.904 0.419 0.826 0.609 CB 1.595 24 residues pruned to eliminate duplicates Z: 15 45.692 2.453 0.825 0.903 1.000 1.000 CB 1.944 15 residues pruned to eliminate duplicates Z: 38 42.645 2.361 0.661 0.575 0.973 0.649 CB 1.708 38 residues pruned to eliminate duplicates Z: 16 33.751 2.251 0.830 0.864 0.933 0.867 CA 1.662 16 residues pruned to eliminate duplicates Z: 6 9.821 1.965 0.427 0.564 1.000 0.200 CB 1.473 6 residues pruned to eliminate duplicates Z: 15 15.329 2.080 0.589 0.409 0.857 0.643 CA 1.591 20 residues pruned to eliminate duplicates Z: 27 19.682 2.053 0.777 0.516 0.808 0.538 CB 1.290 27 residues pruned to eliminate duplicates Z: 45 44.502 2.286 1.007 0.451 0.932 0.659 CB 1.650 45 residues pruned to eliminate duplicates Z: 16 43.931 2.303 0.905 0.931 1.000 0.867 CA 1.807 16 residues pruned to eliminate duplicates Z: 19 11.607 1.814 0.752 0.319 0.778 0.667 CB 1.352 19 residues pruned to eliminate duplicates Z: 9 22.183 2.012 0.803 0.904 1.000 0.875 CA 1.540 9 residues pruned to eliminate duplicates Z: 43 46.353 2.414 0.813 0.521 0.905 0.619 CB 1.770 43 residues pruned to eliminate duplicates Z: 72 42.186 2.307 0.811 0.393 0.873 0.662 CB 1.536 72 residues pruned to eliminate duplicates Z: 8 22.593 2.290 0.985 0.627 1.000 0.571 CB 1.667 8 residues pruned to eliminate duplicates Z: 82 48.805 2.308 0.732 0.438 0.864 0.630 CB 1.672 82 residues pruned to eliminate duplicates Z: 11 19.502 2.037 0.349 0.911 1.000 0.900 CB 1.591 11 residues pruned to eliminate duplicates Z: 10 10.786 1.897 0.569 0.507 0.889 0.556 CA 1.350 10 residues pruned to eliminate duplicates Z: 12 37.235 2.304 1.065 0.893 1.000 0.727 CB 1.694 12 residues pruned to eliminate duplicates Z: 7 5.484 1.843 0.588 0.269 0.667 0.333 N 1.492 7 residues pruned to eliminate duplicates Z: 12 15.656 1.821 0.365 0.860 1.000 0.818 CA 1.396 12 residues pruned to eliminate duplicates Z: 11 20.529 2.025 0.594 0.901 1.000 0.900 CB 1.435 11 residues pruned to eliminate duplicates Z: 41 44.245 2.371 0.929 0.464 0.925 0.650 CB 1.715 41 residues pruned to eliminate duplicates Z: 84 47.132 2.253 0.789 0.438 0.867 0.578 CB 1.577 84 residues pruned to eliminate duplicates Z: 20 33.650 2.348 0.598 0.705 1.000 0.842 CB 1.707 20 residues pruned to eliminate duplicates Z: 6 4.563 1.407 0.696 0.636 1.000 0.800 N 0.753 Z: 6 21.843 2.386 0.823 0.730 1.000 0.800 CA 1.826 6 residues pruned to eliminate duplicates Z: 12 19.325 1.878 0.440 0.916 1.000 0.909 CA 1.522 12 residues pruned to eliminate duplicates Z: 23 38.651 2.425 1.163 0.515 0.864 0.773 CB 1.792 23 residues pruned to eliminate duplicates Z: 44 40.734 2.305 0.937 0.456 0.907 0.605 CB 1.605 44 residues pruned to eliminate duplicates Z: 53 38.456 2.262 0.966 0.408 0.846 0.615 CB 1.561 53 residues pruned to eliminate duplicates Z: 17 18.591 2.343 0.410 0.374 0.875 0.562 CA 1.841 17 residues pruned to eliminate duplicates Z: 84 73.410 2.427 1.130 0.503 0.916 0.723 CB 1.698 97 residues pruned to eliminate duplicates Z: 8 4.522 1.589 0.124 0.460 1.000 0.857 CB 0.997 Z: 7 4.738 1.767 0.626 0.282 0.833 0.500 CB 1.033 7 residues pruned to eliminate duplicates Z: 49 41.705 2.331 0.845 0.415 0.896 0.625 CB 1.708 49 residues pruned to eliminate duplicates Z: 10 14.700 2.269 0.797 0.303 0.889 0.556 CA 1.684 10 residues pruned to eliminate duplicates Z: 23 29.790 2.487 1.023 0.436 0.773 0.500 CB 1.745 23 residues pruned to eliminate duplicates Z: 12 21.383 2.165 1.116 0.561 1.000 0.636 CB 1.326 11 residues pruned to eliminate duplicates Z: 12 21.650 2.218 0.995 0.493 0.818 0.545 CA 1.816 12 residues pruned to eliminate duplicates Z: 8 10.591 2.020 0.462 0.524 0.857 0.429 CB 1.544 Z: 12 17.760 2.074 1.220 0.464 0.909 0.818 CB 1.327 12 residues pruned to eliminate duplicates Z: 7 3.772 1.736 0.378 0.556 0.667 0.667 CB 0.915 6 residues pruned to eliminate duplicates Z: 11 25.253 2.026 0.784 0.912 1.000 1.000 CB 1.566 11 residues pruned to eliminate duplicates Z: 31 36.187 2.333 0.800 0.556 0.933 0.667 CB 1.597 31 residues pruned to eliminate duplicates Z: 9 30.411 2.304 0.857 0.835 1.000 0.875 CB 1.884 9 residues pruned to eliminate duplicates Z: 7 17.388 2.142 0.776 0.669 1.000 0.833 CA 1.596 Z: 103 68.216 2.427 0.960 0.458 0.873 0.647 CB 1.699 103 residues pruned to eliminate duplicates Z: 24 38.161 2.392 1.017 0.528 0.870 0.652 CB 1.845 24 residues pruned to eliminate duplicates Z: 87 49.684 2.272 0.838 0.413 0.884 0.570 CB 1.591 87 residues pruned to eliminate duplicates Z: 11 20.068 1.958 0.549 0.896 1.000 0.800 CB 1.498 11 residues pruned to eliminate duplicates Z: 73 48.074 2.280 0.915 0.402 0.917 0.639 CB 1.569 73 residues pruned to eliminate duplicates Z: 11 15.148 2.023 0.130 0.906 1.000 0.900 CB 1.490 11 residues pruned to eliminate duplicates Z: 54 47.454 2.306 0.958 0.504 0.887 0.566 CB 1.622 17 residues pruned to eliminate duplicates Z: 7 5.548 2.037 0.515 0.305 1.000 0.500 CB 0.912 7 residues pruned to eliminate duplicates Z: 14 39.462 2.248 1.038 0.943 1.000 0.923 CB 1.655 13 residues pruned to eliminate duplicates Z: 21 28.061 2.296 0.618 0.629 0.950 0.650 CB 1.574 21 residues pruned to eliminate duplicates Z: 41 36.126 2.257 0.791 0.467 0.875 0.550 CB 1.670 41 residues pruned to eliminate duplicates Z: 12 6.568 1.810 0.392 0.326 0.727 0.545 CB 1.309 12 residues pruned to eliminate duplicates Z: 11 9.328 1.772 0.663 0.482 0.900 0.500 CA 1.133 13 residues pruned to eliminate duplicates Z: 16 28.944 2.388 1.221 0.551 0.867 0.733 CB 1.547 16 residues pruned to eliminate duplicates Z: 10 20.267 2.006 0.605 0.931 1.000 0.778 CB 1.467 10 residues pruned to eliminate duplicates Z: 43 40.933 2.362 0.718 0.469 0.881 0.548 CB 1.823 43 residues pruned to eliminate duplicates Z: 77 67.084 2.481 0.894 0.526 0.921 0.658 CB 1.733 65 residues pruned to eliminate duplicates Z: 65 57.016 2.432 0.745 0.541 0.938 0.703 CB 1.721 65 residues pruned to eliminate duplicates Z: 12 17.382 1.786 0.506 0.868 1.000 1.000 CA 1.424 12 residues pruned to eliminate duplicates Z: 12 48.300 2.550 1.024 0.934 1.000 1.000 CA 1.967 12 residues pruned to eliminate duplicates Z: 53 42.963 2.254 0.803 0.526 0.885 0.596 CB 1.615 53 residues pruned to eliminate duplicates Z: 94 69.186 2.359 1.088 0.436 0.903 0.624 CB 1.724 94 residues pruned to eliminate duplicates Z: 11 24.227 2.068 0.734 0.857 1.000 0.800 CA 1.575 11 residues pruned to eliminate duplicates Z: 20 37.915 2.410 1.230 0.599 0.895 0.842 CB 1.646 20 residues pruned to eliminate duplicates Z: 15 50.908 2.408 1.126 0.954 1.000 0.714 CB 1.829 15 residues pruned to eliminate duplicates Z: 9 28.911 2.633 0.927 0.475 1.000 0.750 C 2.067 9 residues pruned to eliminate duplicates Z: 62 51.734 2.398 0.689 0.528 0.918 0.770 CB 1.733 62 residues pruned to eliminate duplicates Z: 15 32.221 2.132 0.788 0.876 1.000 0.786 CB 1.642 15 residues pruned to eliminate duplicates Z: 23 34.268 2.321 0.901 0.535 0.864 0.682 CA 1.851 23 residues pruned to eliminate duplicates Z: 18 26.354 2.263 1.080 0.494 0.824 0.529 CA 1.658 18 residues pruned to eliminate duplicates Z: 14 22.632 2.078 0.457 0.822 0.923 0.923 CA 1.699 14 residues pruned to eliminate duplicates Z: 102 43.601 2.230 0.707 0.335 0.871 0.515 CB 1.566 102 residues pruned to eliminate duplicates Z: 7 7.577 1.772 0.506 0.573 1.000 0.667 CB 1.080 7 residues pruned to eliminate duplicates Z: 43 49.843 2.442 0.873 0.527 0.905 0.643 CB 1.809 43 residues pruned to eliminate duplicates Z: 12 42.560 2.458 1.018 0.899 1.000 0.818 CB 1.850 12 residues pruned to eliminate duplicates Z: 16 17.349 2.359 1.048 0.331 0.800 0.733 CB 1.394 16 residues pruned to eliminate duplicates Z: 7 6.479 1.563 0.441 0.691 0.833 0.500 CB 1.183 7 residues pruned to eliminate duplicates Z: 9 18.077 2.002 0.901 0.607 1.000 0.375 CA 1.517 9 residues pruned to eliminate duplicates Z: 42 34.302 2.079 0.717 0.587 0.927 0.732 CB 1.490 34 residues pruned to eliminate duplicates Z: 37 26.659 2.307 0.772 0.364 0.750 0.444 CB 1.677 37 residues pruned to eliminate duplicates Z: 14 32.159 2.253 1.115 0.901 0.846 0.462 CB 1.579 14 residues pruned to eliminate duplicates Z: 31 26.759 2.261 0.742 0.382 0.900 0.567 CB 1.563 31 residues pruned to eliminate duplicates Z: 7 12.537 2.154 0.837 0.456 0.833 0.500 CA 1.623 7 residues pruned to eliminate duplicates Z: 15 17.773 2.196 0.962 0.491 0.714 0.429 CB 1.558 15 residues pruned to eliminate duplicates Z: 16 34.043 2.174 0.738 0.934 1.000 0.733 CB 1.622 17 residues pruned to eliminate duplicates Z: 82 60.818 2.419 0.964 0.450 0.877 0.630 CB 1.708 82 residues pruned to eliminate duplicates Z: 10 27.380 2.462 1.173 0.460 1.000 0.778 CA 1.777 10 residues pruned to eliminate duplicates Z: 8 8.364 2.067 0.528 0.345 0.857 0.429 CB 1.382 8 residues pruned to eliminate duplicates Z: 22 72.431 2.593 1.396 0.711 1.000 0.905 CB 2.101 22 residues pruned to eliminate duplicates Z: 16 27.203 2.272 0.479 0.786 0.933 0.867 CB 1.742 16 residues pruned to eliminate duplicates Z: 64 45.594 2.303 0.936 0.421 0.857 0.698 CB 1.631 64 residues pruned to eliminate duplicates Z: 16 35.261 2.361 0.710 0.870 0.933 0.667 CA 1.764 16 residues pruned to eliminate duplicates Z: 12 16.343 1.817 0.450 0.874 1.000 0.636 CB 1.361 12 residues pruned to eliminate duplicates Z: 21 34.066 2.195 0.958 0.640 0.850 0.800 CB 1.829 21 residues pruned to eliminate duplicates Z: 64 48.429 2.285 0.884 0.424 0.921 0.651 CB 1.665 64 residues pruned to eliminate duplicates Z: 53 42.292 2.318 0.936 0.449 0.865 0.538 CB 1.592 53 residues pruned to eliminate duplicates Z: 91 64.100 2.412 0.977 0.445 0.878 0.656 CB 1.708 91 residues pruned to eliminate duplicates Z: 95 52.186 2.334 0.876 0.364 0.883 0.606 CB 1.610 95 residues pruned to eliminate duplicates Z: 28 33.698 2.225 0.848 0.623 0.926 0.630 CB 1.517 28 residues pruned to eliminate duplicates Z: 14 31.597 2.155 0.739 0.898 1.000 0.769 CB 1.672 14 residues pruned to eliminate duplicates Z: 16 23.597 2.485 1.195 0.293 0.867 0.600 CB 1.626 16 residues pruned to eliminate duplicates Z: 18 19.499 2.172 1.114 0.343 0.882 0.647 CB 1.385 18 residues pruned to eliminate duplicates Z: 65 49.984 2.316 1.049 0.407 0.859 0.641 CB 1.688 65 residues pruned to eliminate duplicates Z: 19 22.600 2.282 0.901 0.415 0.778 0.500 CB 1.725 19 residues pruned to eliminate duplicates Z: 14 45.843 2.493 1.040 0.940 0.923 0.769 CB 1.881 14 residues pruned to eliminate duplicates Z: 37 42.195 2.336 1.035 0.495 0.917 0.639 CB 1.622 37 residues pruned to eliminate duplicates Z: 37 45.409 2.470 0.832 0.528 0.889 0.500 CB 1.830 37 residues pruned to eliminate duplicates Z: 7 12.121 2.261 1.564 0.500 0.667 0.667 CA 1.280 7 residues pruned to eliminate duplicates Z: 15 28.133 2.106 0.668 0.923 1.000 0.786 CB 1.503 15 residues pruned to eliminate duplicates Z: 52 46.122 2.295 0.983 0.447 0.922 0.627 CB 1.626 52 residues pruned to eliminate duplicates Z: 95 50.833 2.270 0.710 0.435 0.904 0.670 CB 1.598 95 residues pruned to eliminate duplicates Z: 10 21.670 1.905 0.759 0.883 1.000 0.778 CA 1.558 10 residues pruned to eliminate duplicates Z: 16 16.938 1.963 0.785 0.408 0.933 0.800 CA 1.472 19 residues pruned to eliminate duplicates Z: 67 39.113 2.216 0.847 0.387 0.833 0.591 CB 1.592 67 residues pruned to eliminate duplicates Z: 20 15.650 2.047 0.614 0.544 0.737 0.474 CB 1.413 20 residues pruned to eliminate duplicates Z: 17 34.710 2.465 0.891 0.492 1.000 0.312 CB 1.877 17 residues pruned to eliminate duplicates Z: 61 56.531 2.358 0.816 0.589 0.933 0.667 CB 1.677 61 residues pruned to eliminate duplicates Z: 54 39.176 2.260 0.770 0.413 0.906 0.566 CB 1.627 54 residues pruned to eliminate duplicates Z: 36 28.336 2.165 0.743 0.384 0.886 0.600 CB 1.621 36 residues pruned to eliminate duplicates Z: 24 15.276 2.274 0.615 0.284 0.739 0.478 CB 1.496 24 residues pruned to eliminate duplicates Z: 15 31.135 2.131 0.598 0.931 1.000 0.929 CA 1.708 15 residues pruned to eliminate duplicates Z: 6 3.938 1.177 0.394 0.715 1.000 0.400 CA 0.883 Z: 10 20.994 1.976 0.680 0.899 1.000 0.889 CA 1.506 10 residues pruned to eliminate duplicates Z: 58 45.856 2.239 0.898 0.466 0.930 0.579 CB 1.591 58 residues pruned to eliminate duplicates Z: 18 14.294 1.893 0.530 0.410 0.882 0.647 CA 1.490 17 residues pruned to eliminate duplicates Z: 8 11.898 1.915 0.563 0.614 0.857 0.714 C 1.573 8 residues pruned to eliminate duplicates Z: 79 57.922 2.426 0.809 0.495 0.846 0.679 CB 1.776 79 residues pruned to eliminate duplicates Z: 13 34.491 2.345 0.778 0.946 1.000 0.833 CB 1.652 19 residues pruned to eliminate duplicates Z: 20 13.783 2.121 0.619 0.315 0.789 0.474 CB 1.432 20 residues pruned to eliminate duplicates Z: 6 8.703 1.735 0.629 0.461 1.000 1.000 N 1.434 Z: 56 37.039 2.267 0.612 0.435 0.873 0.600 CB 1.674 56 residues pruned to eliminate duplicates Z: 15 26.494 2.082 0.572 0.880 0.929 0.714 CB 1.688 15 residues pruned to eliminate duplicates Z: 25 35.724 2.450 0.845 0.486 0.917 0.417 CB 1.784 25 residues pruned to eliminate duplicates Z: 75 50.571 2.257 0.866 0.457 0.905 0.635 CB 1.611 75 residues pruned to eliminate duplicates Z: 11 16.540 1.917 0.620 0.875 0.900 0.700 CB 1.360 11 residues pruned to eliminate duplicates Z: 10 20.305 2.111 0.485 0.903 1.000 1.000 CA 1.539 10 residues pruned to eliminate duplicates Z: 49 43.884 2.311 1.024 0.437 0.896 0.646 CB 1.614 49 residues pruned to eliminate duplicates Z: 23 31.826 2.256 0.911 0.608 0.864 0.727 CB 1.645 23 residues pruned to eliminate duplicates Z: 23 30.178 2.261 0.631 0.663 0.955 0.909 CB 1.573 23 residues pruned to eliminate duplicates Z: 84 54.462 2.268 0.935 0.440 0.904 0.602 CB 1.604 84 residues pruned to eliminate duplicates Z: 63 47.725 2.303 0.867 0.417 0.935 0.613 CB 1.643 63 residues pruned to eliminate duplicates Z: 43 29.288 2.255 0.771 0.401 0.833 0.595 CB 1.508 43 residues pruned to eliminate duplicates Z: 20 19.576 2.082 0.811 0.493 0.895 0.579 CB 1.341 29 residues pruned to eliminate duplicates Z: 7 8.364 1.964 0.410 0.475 0.833 0.667 CB 1.518 7 residues pruned to eliminate duplicates Z: 32 58.439 2.549 1.362 0.567 0.871 0.710 CB 1.875 32 residues pruned to eliminate duplicates Z: 9 21.214 2.210 0.482 0.890 1.000 0.750 CB 1.648 9 residues pruned to eliminate duplicates Z: 13 33.701 2.330 0.833 0.948 1.000 1.000 CB 1.574 13 residues pruned to eliminate duplicates Z: 9 19.165 2.174 0.225 0.924 1.000 1.000 CB 1.786 9 residues pruned to eliminate duplicates Z: 11 13.042 2.270 0.670 0.500 0.800 0.500 CB 1.360 11 residues pruned to eliminate duplicates Z: 21 30.073 2.300 0.450 0.653 1.000 0.700 CB 1.748 21 residues pruned to eliminate duplicates Z: 8 4.259 1.522 0.441 0.408 0.857 0.714 CB 0.943 8 residues pruned to eliminate duplicates Z: 33 34.564 2.341 0.792 0.468 0.906 0.656 CB 1.660 32 residues pruned to eliminate duplicates Z: 8 8.429 2.022 0.343 0.609 0.857 0.714 CA 1.234 Z: 13 18.839 1.685 0.886 0.805 1.000 0.500 CB 1.311 13 residues pruned to eliminate duplicates Z: 49 32.863 2.209 0.755 0.400 0.896 0.604 CB 1.518 49 residues pruned to eliminate duplicates Z: 84 44.769 2.241 0.789 0.370 0.880 0.530 CB 1.602 84 residues pruned to eliminate duplicates Z: 10 6.295 1.766 0.269 0.523 0.778 0.556 CB 1.176 10 residues pruned to eliminate duplicates Z: 13 7.854 1.954 0.656 0.098 0.750 0.250 CB 1.562 13 residues pruned to eliminate duplicates Z: 72 47.721 2.249 0.762 0.488 0.887 0.620 CB 1.630 72 residues pruned to eliminate duplicates Z: 61 40.798 2.273 0.778 0.401 0.867 0.583 CB 1.669 61 residues pruned to eliminate duplicates Z: 16 39.821 2.247 0.986 0.904 0.933 0.667 CB 1.758 16 residues pruned to eliminate duplicates Z: 8 7.574 1.767 0.427 0.469 1.000 0.714 CB 1.171 8 residues pruned to eliminate duplicates Z: 16 11.848 1.805 0.567 0.401 0.867 0.667 CA 1.385 16 residues pruned to eliminate duplicates Z: 19 23.390 2.216 1.137 0.353 0.833 0.611 CB 1.637 19 residues pruned to eliminate duplicates Z: 19 22.627 2.335 0.685 0.466 0.889 0.667 CB 1.579 19 residues pruned to eliminate duplicates Z: 18 12.611 2.058 0.337 0.379 0.824 0.471 CB 1.535 16 residues pruned to eliminate duplicates Z: 12 21.786 1.857 0.761 0.898 1.000 0.636 CA 1.437 12 residues pruned to eliminate duplicates Z: 12 20.764 1.811 0.698 0.902 1.000 0.818 CA 1.452 12 residues pruned to eliminate duplicates Z: 36 53.785 2.469 1.167 0.549 0.857 0.600 CB 1.890 36 residues pruned to eliminate duplicates Z: 21 34.078 2.245 0.676 0.680 1.000 0.900 CB 1.717 21 residues pruned to eliminate duplicates Z: 13 28.480 2.236 0.737 0.917 1.000 0.583 CB 1.494 13 residues pruned to eliminate duplicates Z: 14 14.416 2.179 0.470 0.310 0.923 0.615 CB 1.670 14 residues pruned to eliminate duplicates Z: 27 24.604 2.355 0.757 0.421 0.808 0.538 CB 1.568 27 residues pruned to eliminate duplicates Z: 49 57.708 2.403 0.886 0.595 0.958 0.771 CB 1.750 49 residues pruned to eliminate duplicates Z: 85 50.053 2.235 0.806 0.442 0.893 0.643 CB 1.609 85 residues pruned to eliminate duplicates Z: 16 26.131 2.000 0.720 0.662 0.933 0.667 CA 1.808 16 residues pruned to eliminate duplicates Z: 16 23.671 2.291 0.659 0.528 0.933 0.867 CA 1.675 18 residues pruned to eliminate duplicates Z: 14 11.081 1.825 0.679 0.818 0.923 0.538 CB 0.825 14 residues pruned to eliminate duplicates Z: 12 10.400 2.082 0.604 0.234 0.818 0.273 CB 1.563 12 residues pruned to eliminate duplicates Z: 37 35.672 2.284 0.782 0.484 0.917 0.639 CB 1.619 37 residues pruned to eliminate duplicates Z: 8 5.262 1.855 0.550 0.190 0.714 0.714 CA 1.404 8 residues pruned to eliminate duplicates Z: 22 29.366 2.265 0.605 0.610 0.952 0.762 CB 1.668 22 residues pruned to eliminate duplicates Z: 12 21.813 2.185 1.278 0.420 1.000 0.818 CB 1.436 12 residues pruned to eliminate duplicates Z: 6 2.527 1.421 0.099 0.600 0.800 0.400 CB 0.823 6 residues pruned to eliminate duplicates Z: 44 44.065 2.317 1.008 0.470 0.930 0.674 CB 1.601 44 residues pruned to eliminate duplicates Z: 21 22.871 2.037 0.881 0.480 0.900 0.750 CB 1.514 21 residues pruned to eliminate duplicates Z: 20 44.445 2.383 1.077 0.677 1.000 0.789 CB 1.751 20 residues pruned to eliminate duplicates Z: 18 24.323 2.315 0.829 0.488 0.882 0.588 CB 1.598 18 residues pruned to eliminate duplicates Z: 33 42.783 2.375 0.942 0.506 0.938 0.719 CB 1.739 33 residues pruned to eliminate duplicates Z: 7 11.715 2.303 0.672 0.674 0.833 0.500 CB 1.270 7 residues pruned to eliminate duplicates Z: 22 31.419 2.464 1.066 0.439 0.762 0.619 CB 1.883 22 residues pruned to eliminate duplicates Z: 15 38.043 2.119 1.077 0.898 1.000 0.429 CB 1.653 15 residues pruned to eliminate duplicates Z: 36 36.057 2.306 0.718 0.507 0.857 0.600 CB 1.782 36 residues pruned to eliminate duplicates Z: 6 3.541 1.798 -0.076 0.531 0.600 0.600 CA 1.542 Z: 30 31.624 2.421 1.003 0.347 0.759 0.379 CB 1.884 18 residues pruned to eliminate duplicates Z: 53 44.703 2.270 1.057 0.436 0.904 0.615 CB 1.569 53 residues pruned to eliminate duplicates Z: 20 29.424 2.264 1.102 0.555 0.947 0.895 CB 1.419 20 residues pruned to eliminate duplicates Z: 25 33.050 2.315 1.021 0.473 0.875 0.667 CB 1.693 25 residues pruned to eliminate duplicates Z: 49 44.472 2.322 0.945 0.443 0.917 0.604 CB 1.644 49 residues pruned to eliminate duplicates Z: 10 18.940 2.020 0.458 0.921 1.000 0.778 CB 1.508 10 residues pruned to eliminate duplicates 6 1.511 1.266 0.332 0.294 0.600 0.600 C 0.841 ? Z: 8 21.018 2.237 1.100 0.748 1.000 0.857 CB 1.356 8 residues pruned to eliminate duplicates Z: 7 9.125 2.102 1.150 0.441 0.833 0.500 CB 1.052 7 residues pruned to eliminate duplicates Z: 6 11.433 2.015 0.575 0.649 1.000 0.600 CB 1.402 6 residues pruned to eliminate duplicates Z: 29 28.993 2.281 0.787 0.521 0.893 0.714 CB 1.474 29 residues pruned to eliminate duplicates Z: 48 51.431 2.358 1.066 0.462 0.936 0.702 CB 1.711 48 residues pruned to eliminate duplicates Z: 7 5.379 1.698 0.325 0.592 0.833 0.500 CA 1.072 7 residues pruned to eliminate duplicates Z: 75 50.875 2.251 0.883 0.450 0.892 0.622 CB 1.647 75 residues pruned to eliminate duplicates Z: 50 31.818 2.144 0.702 0.424 0.878 0.429 CB 1.536 50 residues pruned to eliminate duplicates Z: 6 3.858 1.273 0.499 0.686 0.800 0.800 N 0.954 6 residues pruned to eliminate duplicates Z: 7 19.482 2.129 0.785 0.806 1.000 0.833 CA 1.602 Z: 28 38.128 2.236 0.912 0.595 0.963 0.630 CB 1.628 28 residues pruned to eliminate duplicates Z: 31 32.258 2.107 1.048 0.561 0.867 0.633 CB 1.484 31 residues pruned to eliminate duplicates Z: 48 54.902 2.393 1.075 0.485 0.957 0.574 CB 1.709 48 residues pruned to eliminate duplicates Z: 49 41.618 2.309 0.811 0.450 0.938 0.646 CB 1.613 49 residues pruned to eliminate duplicates Z: 14 12.554 2.104 0.869 0.322 0.769 0.538 CB 1.400 20 residues pruned to eliminate duplicates Z: 7 3.638 1.721 0.750 0.399 0.500 0.500 CA 1.097 7 residues pruned to eliminate duplicates Z: 42 38.237 2.157 0.836 0.602 0.878 0.707 CB 1.559 42 residues pruned to eliminate duplicates Z: 8 3.968 1.620 0.522 0.429 0.714 0.571 CB 0.917 8 residues pruned to eliminate duplicates Z: 65 47.196 2.281 0.896 0.413 0.891 0.609 CB 1.677 65 residues pruned to eliminate duplicates Z: 9 8.304 2.042 0.764 0.191 0.875 0.375 CA 1.348 9 residues pruned to eliminate duplicates Z: 41 39.371 2.442 0.884 0.411 0.850 0.475 CB 1.747 47 residues pruned to eliminate duplicates Z: 6 7.123 1.579 0.467 0.782 1.000 0.600 CA 1.073 6 residues pruned to eliminate duplicates Z: 21 16.593 1.972 0.401 0.621 0.850 0.650 CB 1.410 21 residues pruned to eliminate duplicates Z: 18 14.975 1.860 0.454 0.561 0.941 0.529 CB 1.344 18 residues pruned to eliminate duplicates Z: 49 56.383 2.399 0.796 0.580 0.958 0.771 CB 1.824 56 residues pruned to eliminate duplicates Z: 69 60.978 2.442 1.018 0.459 0.912 0.603 CB 1.715 69 residues pruned to eliminate duplicates Z: 41 32.824 2.146 0.814 0.420 0.950 0.675 CB 1.527 41 residues pruned to eliminate duplicates Z: 26 41.016 2.381 1.054 0.576 0.880 0.520 CB 1.772 26 residues pruned to eliminate duplicates Z: 9 17.950 2.205 0.574 0.787 0.875 0.500 CB 1.623 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 21 21.221 2.210 0.497 0.454 0.850 0.600 CB 1.769 21 residues pruned to eliminate duplicates Z: 6 4.181 1.492 0.500 0.361 1.000 0.800 CA 0.970 6 residues pruned to eliminate duplicates Z: 15 18.943 2.393 0.685 0.408 0.786 0.643 CA 1.760 15 residues pruned to eliminate duplicates Z: 17 23.941 2.346 0.725 0.456 0.875 0.688 CA 1.767 17 residues pruned to eliminate duplicates Z: 16 23.006 2.439 0.713 0.482 0.800 0.667 CA 1.810 16 residues pruned to eliminate duplicates Z: 17 20.016 2.370 0.720 0.437 0.750 0.750 CA 1.746 17 residues pruned to eliminate duplicates Z: 17 20.561 2.389 0.589 0.465 0.812 0.562 CB 1.726 17 residues pruned to eliminate duplicates Z: 17 23.232 2.256 0.831 0.466 0.875 0.625 CA 1.663 16 residues pruned to eliminate duplicates Z: 7 12.019 2.162 0.537 0.494 1.000 1.000 CA 1.486 7 residues pruned to eliminate duplicates Z: 19 16.897 2.276 0.659 0.433 0.778 0.556 CB 1.454 19 residues pruned to eliminate duplicates Z: 17 22.346 2.396 0.661 0.474 0.812 0.500 CA 1.774 17 residues pruned to eliminate duplicates Z: 15 33.648 2.528 0.849 0.553 0.929 0.714 CA 1.968 17 residues pruned to eliminate duplicates Z: 7 8.153 1.863 1.089 0.443 0.833 0.500 CB 1.088 7 residues pruned to eliminate duplicates Z: 95 65.377 2.378 0.970 0.440 0.894 0.628 CB 1.713 95 residues pruned to eliminate duplicates Z: 11 18.612 2.264 0.891 0.497 0.900 0.700 CB 1.532 11 residues pruned to eliminate duplicates Z: 11 23.935 2.386 1.125 0.599 0.900 0.700 CB 1.509 11 residues pruned to eliminate duplicates Z: 11 30.261 2.319 1.335 0.672 1.000 0.700 CB 1.507 11 residues pruned to eliminate duplicates Z: 16 19.138 2.155 1.008 0.468 0.867 0.600 CB 1.361 16 residues pruned to eliminate duplicates Z: 44 63.360 2.534 1.091 0.517 0.930 0.698 CB 1.927 44 residues pruned to eliminate duplicates Z: 19 41.401 2.475 1.405 0.527 0.944 0.833 CB 1.691 19 residues pruned to eliminate duplicates Z: 18 35.178 2.407 1.271 0.514 0.882 0.647 CB 1.744 18 residues pruned to eliminate duplicates Z: 107 68.180 2.429 0.918 0.449 0.868 0.642 CB 1.725 107 residues pruned to eliminate duplicates Z: 33 63.762 2.577 1.319 0.621 0.875 0.719 CB 1.923 33 residues pruned to eliminate duplicates Z: 19 34.601 2.367 1.401 0.550 0.889 0.778 CB 1.538 19 residues pruned to eliminate duplicates Z: 33 54.137 2.502 1.160 0.600 0.844 0.656 CB 1.908 33 residues pruned to eliminate duplicates Z: 39 60.428 2.528 1.248 0.579 0.868 0.711 CB 1.841 39 residues pruned to eliminate duplicates Z: 66 57.442 2.418 0.857 0.485 0.908 0.631 CB 1.775 66 residues pruned to eliminate duplicates Z: 78 62.590 2.411 0.962 0.470 0.896 0.623 CB 1.734 78 residues pruned to eliminate duplicates Z: 16 49.252 2.572 1.204 0.760 0.867 0.600 CB 2.055 16 residues pruned to eliminate duplicates Z: 28 32.430 2.338 0.958 0.480 0.815 0.556 CB 1.707 28 residues pruned to eliminate duplicates Z: 21 41.252 2.528 1.161 0.589 0.850 0.600 CB 1.824 21 residues pruned to eliminate duplicates Z: 16 60.036 2.667 1.202 0.783 0.933 0.733 CB 2.204 16 residues pruned to eliminate duplicates Z: 19 38.223 2.435 0.981 0.672 0.889 0.778 CA 1.792 19 residues pruned to eliminate duplicates Z: 67 58.439 2.367 1.008 0.474 0.909 0.606 CB 1.709 67 residues pruned to eliminate duplicates Z: 79 65.920 2.385 1.009 0.487 0.897 0.628 CB 1.759 79 residues pruned to eliminate duplicates Z: 35 59.467 2.540 1.294 0.610 0.882 0.706 CB 1.787 35 residues pruned to eliminate duplicates Z: 23 38.414 2.440 1.249 0.578 0.818 0.545 CB 1.692 23 residues pruned to eliminate duplicates Z: 87 58.593 2.384 0.874 0.446 0.872 0.593 CB 1.715 87 residues pruned to eliminate duplicates Z: 16 56.080 2.573 1.336 0.767 0.933 0.733 CB 2.038 16 residues pruned to eliminate duplicates Z: 84 62.097 2.428 0.978 0.443 0.867 0.614 CB 1.735 84 residues pruned to eliminate duplicates Z: 70 63.689 2.415 1.029 0.473 0.928 0.609 CB 1.733 70 residues pruned to eliminate duplicates Z: 69 57.805 2.422 0.945 0.452 0.897 0.618 CB 1.741 69 residues pruned to eliminate duplicates Z: 73 47.195 2.363 0.827 0.394 0.875 0.611 CB 1.647 73 residues pruned to eliminate duplicates Z: 53 61.240 2.483 1.094 0.548 0.904 0.596 CB 1.724 53 residues pruned to eliminate duplicates Z: 52 43.816 2.332 0.889 0.407 0.902 0.588 CB 1.702 52 residues pruned to eliminate duplicates Z: 53 41.252 2.352 0.868 0.400 0.885 0.558 CB 1.634 53 residues pruned to eliminate duplicates Z: 73 48.177 2.344 0.915 0.377 0.889 0.542 CB 1.623 24 residues pruned to eliminate duplicates Z: 9 14.016 2.151 0.514 0.471 0.875 0.375 CA 1.791 9 residues pruned to eliminate duplicates Z: 77 64.415 2.342 0.970 0.491 0.934 0.566 CB 1.730 77 residues pruned to eliminate duplicates Z: 78 65.528 2.416 1.045 0.487 0.896 0.623 CB 1.710 78 residues pruned to eliminate duplicates Z: 142 89.763 2.440 1.040 0.487 0.894 0.638 CB 1.722 142 residues pruned to eliminate duplicates Z: 52 41.706 2.351 0.895 0.409 0.882 0.647 CB 1.635 53 residues pruned to eliminate duplicates Z: 16 28.550 2.308 0.704 0.680 0.933 0.600 CA 1.702 16 residues pruned to eliminate duplicates Z: 65 45.994 2.344 0.828 0.396 0.891 0.625 CB 1.682 65 residues pruned to eliminate duplicates Z: 55 38.465 2.265 0.881 0.394 0.870 0.611 CB 1.578 55 residues pruned to eliminate duplicates Z: 49 45.481 2.351 0.982 0.421 0.917 0.583 CB 1.670 49 residues pruned to eliminate duplicates Z: 91 51.324 2.367 0.878 0.362 0.867 0.600 CB 1.631 91 residues pruned to eliminate duplicates Z: 63 46.947 2.350 0.903 0.421 0.871 0.645 CB 1.662 63 residues pruned to eliminate duplicates Z: 93 53.957 2.335 0.925 0.389 0.837 0.554 CB 1.682 93 residues pruned to eliminate duplicates Z: 72 65.189 2.370 1.119 0.501 0.901 0.620 CB 1.706 72 residues pruned to eliminate duplicates Z: 60 49.689 2.342 0.998 0.432 0.864 0.610 CB 1.716 60 residues pruned to eliminate duplicates Z: 80 63.698 2.427 1.065 0.460 0.886 0.633 CB 1.680 80 residues pruned to eliminate duplicates Z: 85 64.801 2.437 1.022 0.443 0.881 0.583 CB 1.728 85 residues pruned to eliminate duplicates Z: 65 61.928 2.390 1.093 0.497 0.906 0.594 CB 1.712 65 residues pruned to eliminate duplicates Z: 49 42.849 2.346 0.949 0.414 0.896 0.583 CB 1.652 49 residues pruned to eliminate duplicates Z: 81 67.412 2.355 1.087 0.489 0.900 0.675 CB 1.722 81 residues pruned to eliminate duplicates Z: 71 48.580 2.367 0.942 0.372 0.886 0.557 CB 1.636 71 residues pruned to eliminate duplicates Z: 8 5.024 2.020 0.465 0.475 0.714 0.286 CB 0.922 8 residues pruned to eliminate duplicates Z: 49 48.256 2.298 1.033 0.453 0.938 0.729 CB 1.669 49 residues pruned to eliminate duplicates Z: 7 11.283 1.774 0.688 0.682 1.000 0.500 CA 1.300 7 residues pruned to eliminate duplicates Z: 53 45.837 2.341 0.877 0.413 0.942 0.596 CB 1.682 53 residues pruned to eliminate duplicates Z: 64 65.939 2.421 1.079 0.501 0.937 0.683 CB 1.761 64 residues pruned to eliminate duplicates Z: 69 63.366 2.426 1.023 0.459 0.926 0.603 CB 1.762 53 residues pruned to eliminate duplicates Z: 7 3.688 1.705 -0.105 0.423 0.833 0.667 CB 1.283 7 residues pruned to eliminate duplicates Z: 49 40.936 2.336 0.847 0.397 0.896 0.688 CB 1.704 49 residues pruned to eliminate duplicates Z: 51 37.534 2.279 0.833 0.377 0.880 0.640 CB 1.647 51 residues pruned to eliminate duplicates Z: 52 46.275 2.313 1.071 0.405 0.902 0.647 CB 1.658 52 residues pruned to eliminate duplicates Z: 88 63.286 2.430 0.948 0.438 0.874 0.598 CB 1.749 88 residues pruned to eliminate duplicates Z: 72 49.392 2.386 0.912 0.385 0.859 0.620 CB 1.690 72 residues pruned to eliminate duplicates Z: 65 60.375 2.392 1.077 0.483 0.922 0.641 CB 1.676 65 residues pruned to eliminate duplicates Z: 53 42.345 2.333 0.969 0.379 0.865 0.577 CB 1.680 53 residues pruned to eliminate duplicates Z: 54 42.007 2.331 0.949 0.367 0.887 0.642 CB 1.652 54 residues pruned to eliminate duplicates Z: 65 46.427 2.351 0.840 0.397 0.906 0.641 CB 1.651 65 residues pruned to eliminate duplicates Z: 79 64.872 2.407 1.050 0.458 0.885 0.603 CB 1.757 79 residues pruned to eliminate duplicates Z: 53 45.399 2.291 1.001 0.394 0.923 0.577 CB 1.665 53 residues pruned to eliminate duplicates Z: 103 73.364 2.441 1.041 0.459 0.892 0.637 CB 1.704 103 residues pruned to eliminate duplicates Z: 60 48.575 2.317 0.981 0.435 0.881 0.627 CB 1.672 60 residues pruned to eliminate duplicates Z: 69 42.547 2.319 0.881 0.377 0.838 0.603 CB 1.609 69 residues pruned to eliminate duplicates Z: 68 52.915 2.377 1.022 0.393 0.896 0.672 CB 1.682 68 residues pruned to eliminate duplicates Z: 85 60.336 2.379 0.941 0.435 0.905 0.667 CB 1.685 85 residues pruned to eliminate duplicates Z: 82 68.378 2.424 1.089 0.443 0.901 0.580 CB 1.764 82 residues pruned to eliminate duplicates Z: 87 67.724 2.416 1.061 0.445 0.907 0.605 CB 1.712 88 residues pruned to eliminate duplicates Z: 6 5.473 1.759 0.671 0.463 1.000 0.800 CA 0.864 6 residues pruned to eliminate duplicates Z: 93 67.530 2.362 1.017 0.454 0.902 0.598 CB 1.716 93 residues pruned to eliminate duplicates Z: 68 50.944 2.386 0.879 0.405 0.896 0.627 CB 1.713 68 residues pruned to eliminate duplicates Z: 64 53.659 2.348 1.049 0.431 0.905 0.651 CB 1.669 64 residues pruned to eliminate duplicates Z: 68 50.092 2.354 0.940 0.403 0.896 0.627 CB 1.658 68 residues pruned to eliminate duplicates Z: 74 45.455 2.277 0.900 0.362 0.863 0.548 CB 1.653 74 residues pruned to eliminate duplicates Z: 25 20.132 2.269 0.835 0.348 0.792 0.500 CB 1.471 25 residues pruned to eliminate duplicates Z: 56 40.248 2.345 1.000 0.363 0.818 0.436 CB 1.639 56 residues pruned to eliminate duplicates Z: 116 69.574 2.378 0.948 0.429 0.887 0.600 CB 1.699 116 residues pruned to eliminate duplicates Z: 71 56.644 2.409 1.042 0.383 0.900 0.614 CB 1.731 71 residues pruned to eliminate duplicates Z: 70 51.323 2.339 0.980 0.377 0.928 0.565 CB 1.639 70 residues pruned to eliminate duplicates Z: 25 18.134 2.306 0.701 0.297 0.792 0.375 CB 1.496 25 residues pruned to eliminate duplicates Z: 15 17.325 2.315 0.666 0.325 0.857 0.500 CB 1.699 15 residues pruned to eliminate duplicates Z: 18 24.930 2.399 0.838 0.384 0.882 0.529 CB 1.757 18 residues pruned to eliminate duplicates Z: 10 12.448 2.178 0.973 0.412 0.667 0.556 CA 1.589 10 residues pruned to eliminate duplicates Z: 11 17.858 2.199 0.890 0.540 0.800 0.700 CA 1.633 11 residues pruned to eliminate duplicates Z: 51 51.667 2.469 0.845 0.505 0.880 0.640 CB 1.814 51 residues pruned to eliminate duplicates Z: 58 52.283 2.466 0.824 0.467 0.895 0.561 CB 1.780 58 residues pruned to eliminate duplicates Z: 13 36.287 2.695 1.372 0.492 0.833 0.583 CB 1.983 13 residues pruned to eliminate duplicates Z: 40 39.204 2.320 0.759 0.482 0.897 0.564 CB 1.746 40 residues pruned to eliminate duplicates Z: 120 67.032 2.370 0.984 0.414 0.857 0.555 CB 1.667 120 residues pruned to eliminate duplicates Z: 79 61.350 2.456 0.848 0.505 0.885 0.679 CB 1.722 79 residues pruned to eliminate duplicates Z: 23 34.208 2.541 1.067 0.341 0.864 0.455 CB 1.913 23 residues pruned to eliminate duplicates Z: 46 33.682 2.207 0.693 0.429 0.911 0.511 CB 1.587 46 residues pruned to eliminate duplicates Z: 26 25.635 2.381 0.956 0.330 0.840 0.480 CB 1.579 26 residues pruned to eliminate duplicates Z: 23 25.803 2.470 0.997 0.311 0.818 0.455 CB 1.680 23 residues pruned to eliminate duplicates Z: 30 27.620 2.404 0.870 0.332 0.828 0.345 CB 1.656 30 residues pruned to eliminate duplicates Z: 24 31.414 2.418 1.143 0.393 0.783 0.522 CB 1.809 24 residues pruned to eliminate duplicates Z: 44 38.323 2.314 0.620 0.479 0.907 0.465 CB 1.755 44 residues pruned to eliminate duplicates Z: 51 44.836 2.363 0.822 0.484 0.860 0.540 CB 1.740 51 residues pruned to eliminate duplicates Z: 21 17.703 2.243 0.861 0.302 0.650 0.450 CB 1.819 21 residues pruned to eliminate duplicates Z: 63 45.451 2.363 0.678 0.499 0.871 0.629 CB 1.673 63 residues pruned to eliminate duplicates Z: 45 39.935 2.336 0.755 0.485 0.841 0.545 CB 1.774 45 residues pruned to eliminate duplicates Z: 78 65.175 2.398 0.954 0.475 0.922 0.481 CB 1.764 78 residues pruned to eliminate duplicates Z: 48 35.842 2.320 0.671 0.473 0.830 0.574 CB 1.670 48 residues pruned to eliminate duplicates Z: 56 43.236 2.361 0.819 0.467 0.818 0.545 CB 1.716 56 residues pruned to eliminate duplicates Z: 27 44.640 2.373 0.747 0.693 0.962 0.731 CB 1.841 27 residues pruned to eliminate duplicates Z: 50 39.700 2.371 0.652 0.496 0.857 0.469 CB 1.695 50 residues pruned to eliminate duplicates Z: 51 48.155 2.438 0.771 0.505 0.900 0.580 CB 1.743 51 residues pruned to eliminate duplicates Z: 62 53.277 2.396 0.760 0.542 0.902 0.639 CB 1.721 62 residues pruned to eliminate duplicates Z: 38 36.471 2.364 0.587 0.537 0.919 0.595 CB 1.677 38 residues pruned to eliminate duplicates Z: 67 54.742 2.397 0.846 0.505 0.879 0.606 CB 1.725 67 residues pruned to eliminate duplicates Z: 32 37.182 2.310 0.623 0.614 0.903 0.613 CB 1.770 32 residues pruned to eliminate duplicates Z: 77 59.488 2.432 0.871 0.498 0.868 0.605 CB 1.730 77 residues pruned to eliminate duplicates Z: 49 46.017 2.367 0.804 0.469 0.875 0.479 CB 1.835 49 residues pruned to eliminate duplicates Z: 50 39.850 2.316 0.672 0.508 0.857 0.571 CB 1.702 50 residues pruned to eliminate duplicates Z: 31 41.760 2.321 0.831 0.591 0.967 0.600 CB 1.702 31 residues pruned to eliminate duplicates Z: 29 42.595 2.315 0.730 0.607 1.000 0.464 CB 1.816 29 residues pruned to eliminate duplicates Z: 34 38.811 2.331 0.740 0.574 0.939 0.545 CB 1.651 34 residues pruned to eliminate duplicates Z: 40 36.718 2.363 0.650 0.538 0.872 0.538 CB 1.667 40 residues pruned to eliminate duplicates Z: 30 44.355 2.366 0.743 0.610 1.000 0.586 CB 1.800 30 residues pruned to eliminate duplicates Z: 37 39.534 2.301 0.775 0.531 0.944 0.444 CB 1.657 37 residues pruned to eliminate duplicates Z: 58 58.384 2.471 1.005 0.485 0.877 0.526 CB 1.807 58 residues pruned to eliminate duplicates Z: 48 46.566 2.455 0.811 0.490 0.872 0.574 CB 1.768 48 residues pruned to eliminate duplicates Z: 44 53.338 2.436 1.010 0.529 0.930 0.558 CB 1.735 44 residues pruned to eliminate duplicates Z: 53 56.987 2.463 1.075 0.491 0.885 0.500 CB 1.764 53 residues pruned to eliminate duplicates Z: 62 53.667 2.394 0.830 0.531 0.918 0.639 CB 1.656 62 residues pruned to eliminate duplicates Z: 49 51.675 2.429 0.907 0.536 0.896 0.542 CB 1.734 49 residues pruned to eliminate duplicates Z: 47 42.240 2.220 0.652 0.637 0.935 0.630 CB 1.598 47 residues pruned to eliminate duplicates Z: 44 42.490 2.336 0.828 0.500 0.907 0.488 CB 1.673 44 residues pruned to eliminate duplicates Z: 80 62.489 2.411 0.999 0.484 0.886 0.620 CB 1.673 80 residues pruned to eliminate duplicates Z: 56 62.005 2.433 0.852 0.572 0.945 0.709 CB 1.831 56 residues pruned to eliminate duplicates Z: 72 66.321 2.478 0.949 0.520 0.901 0.577 CB 1.772 72 residues pruned to eliminate duplicates Z: 72 66.714 2.452 1.044 0.504 0.901 0.577 CB 1.745 72 residues pruned to eliminate duplicates Z: 10 28.775 2.640 1.370 0.341 1.000 0.556 CB 1.822 10 residues pruned to eliminate duplicates Z: 78 63.130 2.432 0.951 0.486 0.883 0.636 CB 1.741 78 residues pruned to eliminate duplicates Z: 61 60.273 2.494 1.066 0.499 0.867 0.617 CB 1.745 61 residues pruned to eliminate duplicates Z: 79 58.151 2.381 0.912 0.469 0.872 0.538 CB 1.712 79 residues pruned to eliminate duplicates Z: 56 57.313 2.394 0.867 0.548 0.945 0.618 CB 1.745 56 residues pruned to eliminate duplicates Z: 77 65.328 2.398 0.973 0.502 0.934 0.461 CB 1.693 77 residues pruned to eliminate duplicates Z: 74 57.512 2.418 0.908 0.461 0.890 0.603 CB 1.705 74 residues pruned to eliminate duplicates Z: 31 47.451 2.452 1.127 0.533 0.933 0.700 CB 1.723 31 residues pruned to eliminate duplicates Z: 77 67.217 2.472 0.950 0.533 0.882 0.500 CB 1.756 77 residues pruned to eliminate duplicates Z: 23 28.384 2.232 0.664 0.580 0.909 0.682 CB 1.659 23 residues pruned to eliminate duplicates Z: 30 46.733 2.503 1.094 0.532 0.931 0.724 CB 1.723 30 residues pruned to eliminate duplicates Z: 56 64.997 2.463 0.908 0.587 0.964 0.636 CB 1.781 56 residues pruned to eliminate duplicates Z: 31 42.951 2.464 0.929 0.543 0.900 0.700 CB 1.757 31 residues pruned to eliminate duplicates Z: 32 36.523 2.401 0.852 0.508 0.871 0.645 CB 1.680 32 residues pruned to eliminate duplicates Z: 57 54.590 2.424 0.772 0.574 0.911 0.571 CB 1.737 57 residues pruned to eliminate duplicates Z: 20 39.419 2.382 0.864 0.680 0.947 0.842 CB 1.822 20 residues pruned to eliminate duplicates Z: 57 61.969 2.432 0.876 0.581 0.964 0.696 CB 1.741 57 residues pruned to eliminate duplicates Z: 87 63.642 2.396 0.939 0.472 0.895 0.535 CB 1.698 87 residues pruned to eliminate duplicates Z: 56 49.790 2.333 0.964 0.521 0.909 0.564 CB 1.578 56 residues pruned to eliminate duplicates Z: 77 65.762 2.467 0.904 0.521 0.908 0.579 CB 1.732 77 residues pruned to eliminate duplicates Z: 62 54.064 2.389 0.893 0.550 0.902 0.607 CB 1.616 62 residues pruned to eliminate duplicates Z: 70 63.842 2.415 1.022 0.529 0.899 0.594 CB 1.701 70 residues pruned to eliminate duplicates Z: 56 60.337 2.428 0.870 0.576 0.945 0.673 CB 1.762 56 residues pruned to eliminate duplicates Z: 53 58.889 2.407 1.031 0.558 0.962 0.577 CB 1.642 53 residues pruned to eliminate duplicates Z: 61 60.642 2.448 0.884 0.573 0.933 0.717 CB 1.695 61 residues pruned to eliminate duplicates Z: 21 35.843 2.363 1.020 0.654 0.900 0.700 CB 1.616 21 residues pruned to eliminate duplicates Z: 65 58.198 2.468 0.761 0.532 0.938 0.688 CB 1.729 65 residues pruned to eliminate duplicates Z: 39 45.095 2.405 0.904 0.513 0.868 0.447 CB 1.817 39 residues pruned to eliminate duplicates Z: 24 43.301 2.414 1.071 0.613 0.957 0.435 CB 1.696 24 residues pruned to eliminate duplicates Z: 56 59.025 2.425 0.904 0.545 0.964 0.709 CB 1.712 56 residues pruned to eliminate duplicates Z: 56 54.763 2.430 0.884 0.523 0.945 0.582 CB 1.668 56 residues pruned to eliminate duplicates Z: 76 62.727 2.477 0.971 0.488 0.867 0.600 CB 1.733 76 residues pruned to eliminate duplicates Z: 77 57.610 2.463 0.815 0.488 0.882 0.579 CB 1.697 77 residues pruned to eliminate duplicates Z: 78 62.811 2.373 0.934 0.492 0.922 0.597 CB 1.705 78 residues pruned to eliminate duplicates Z: 54 51.205 2.401 0.911 0.536 0.906 0.585 CB 1.634 54 residues pruned to eliminate duplicates Z: 56 48.572 2.453 1.048 0.404 0.873 0.564 CB 1.653 56 residues pruned to eliminate duplicates Z: 30 43.133 2.535 0.835 0.543 0.966 0.759 CB 1.709 30 residues pruned to eliminate duplicates Z: 31 40.944 2.485 0.852 0.533 0.933 0.733 CB 1.685 31 residues pruned to eliminate duplicates Z: 51 51.212 2.361 0.930 0.491 0.920 0.540 CB 1.743 51 residues pruned to eliminate duplicates Z: 11 24.121 2.428 1.284 0.357 1.000 0.600 CB 1.606 11 residues pruned to eliminate duplicates Z: 29 33.595 2.306 1.111 0.386 0.893 0.571 CB 1.649 29 residues pruned to eliminate duplicates Z: 65 60.104 2.318 1.007 0.538 0.938 0.578 CB 1.659 56 residues pruned to eliminate duplicates Z: 6 4.781 1.718 0.854 0.372 0.800 0.400 CA 0.962 6 residues pruned to eliminate duplicates Z: 86 56.213 2.255 0.922 0.464 0.906 0.576 CB 1.611 86 residues pruned to eliminate duplicates Z: 19 16.283 2.055 0.983 0.350 0.778 0.611 CB 1.425 19 residues pruned to eliminate duplicates Z: 35 32.888 2.084 0.925 0.558 0.882 0.676 CB 1.506 35 residues pruned to eliminate duplicates Z: 92 53.999 2.263 0.885 0.455 0.846 0.648 CB 1.641 92 residues pruned to eliminate duplicates Z: 90 52.259 2.282 0.809 0.447 0.876 0.640 CB 1.616 90 residues pruned to eliminate duplicates Z: 118 67.968 2.331 0.848 0.481 0.889 0.684 CB 1.673 43 residues pruned to eliminate duplicates Z: 6 7.015 1.905 1.096 0.318 0.600 0.400 CA 1.601 6 residues pruned to eliminate duplicates Z: 30 37.702 2.248 0.921 0.637 0.897 0.862 CB 1.590 21 residues pruned to eliminate duplicates Z: 6 3.103 1.808 0.295 0.219 0.800 0.600 CA 1.031 Z: 14 21.855 1.935 0.652 0.797 0.923 0.769 CB 1.584 20 residues pruned to eliminate duplicates Z: 23 21.795 2.109 0.753 0.537 0.909 0.545 CB 1.333 23 residues pruned to eliminate duplicates Z: 20 17.985 2.008 0.619 0.623 0.895 0.632 CB 1.263 20 residues pruned to eliminate duplicates Z: 16 23.422 2.076 0.694 0.750 0.933 0.733 CB 1.473 16 residues pruned to eliminate duplicates Z: 23 35.915 2.149 0.972 0.665 0.955 0.682 CB 1.625 23 residues pruned to eliminate duplicates Z: 71 42.515 2.247 0.731 0.457 0.871 0.543 CB 1.567 71 residues pruned to eliminate duplicates Z: 65 47.549 2.233 0.751 0.509 0.938 0.609 CB 1.607 65 residues pruned to eliminate duplicates Z: 15 29.428 2.137 0.683 0.775 1.000 0.857 CB 1.715 15 residues pruned to eliminate duplicates Z: 32 38.561 2.120 0.981 0.605 0.935 0.742 CB 1.595 30 residues pruned to eliminate duplicates Z: 10 20.528 1.942 0.710 0.799 1.000 0.667 CB 1.586 10 residues pruned to eliminate duplicates Z: 22 21.561 2.013 0.882 0.492 0.810 0.429 CB 1.547 22 residues pruned to eliminate duplicates Z: 82 45.188 2.252 0.792 0.427 0.840 0.580 CB 1.597 82 residues pruned to eliminate duplicates Z: 69 45.119 2.359 0.845 0.383 0.868 0.574 CB 1.641 69 residues pruned to eliminate duplicates Z: 99 55.899 2.278 0.915 0.438 0.857 0.602 CB 1.610 101 residues pruned to eliminate duplicates Z: 6 9.553 1.943 1.006 0.370 1.000 0.600 CA 1.260 Z: 8 21.381 2.502 0.880 0.470 1.000 0.857 CB 1.772 3 residues pruned to eliminate duplicates Z: 8 23.288 2.508 0.963 0.502 1.000 0.571 CB 1.786 8 residues pruned to eliminate duplicates Z: 9 19.617 1.921 1.066 0.629 1.000 0.625 CA 1.549 20 residues pruned to eliminate duplicates Z: 83 47.395 2.285 0.829 0.422 0.829 0.598 CB 1.637 83 residues pruned to eliminate duplicates Z: 62 47.208 2.331 0.919 0.412 0.902 0.607 CB 1.643 62 residues pruned to eliminate duplicates Z: 61 44.997 2.337 0.816 0.423 0.900 0.633 CB 1.649 61 residues pruned to eliminate duplicates Z: 50 44.010 2.273 0.921 0.430 0.939 0.633 CB 1.649 50 residues pruned to eliminate duplicates Z: 73 48.232 2.184 0.882 0.505 0.903 0.583 CB 1.525 73 residues pruned to eliminate duplicates Z: 55 41.547 2.272 0.904 0.382 0.926 0.630 CB 1.599 55 residues pruned to eliminate duplicates Z: 83 51.363 2.249 0.876 0.473 0.878 0.610 CB 1.574 83 residues pruned to eliminate duplicates Z: 123 72.381 2.402 0.919 0.415 0.910 0.557 CB 1.707 120 residues pruned to eliminate duplicates Z: 10 22.695 2.146 0.738 0.781 1.000 0.667 CB 1.583 10 residues pruned to eliminate duplicates Z: 63 46.107 2.310 0.970 0.408 0.871 0.597 CB 1.626 63 residues pruned to eliminate duplicates Z: 85 52.369 2.299 0.886 0.405 0.893 0.548 CB 1.630 85 residues pruned to eliminate duplicates Z: 52 41.948 2.288 0.890 0.429 0.922 0.627 CB 1.587 52 residues pruned to eliminate duplicates Z: 84 53.581 2.283 0.893 0.469 0.892 0.542 CB 1.575 84 residues pruned to eliminate duplicates Z: 68 50.670 2.273 0.875 0.462 0.910 0.627 CB 1.659 68 residues pruned to eliminate duplicates Z: 68 49.316 2.331 0.959 0.413 0.896 0.642 CB 1.614 68 residues pruned to eliminate duplicates Z: 68 46.768 2.349 0.923 0.402 0.866 0.627 CB 1.619 68 residues pruned to eliminate duplicates Z: 67 46.569 2.352 0.847 0.399 0.879 0.591 CB 1.671 67 residues pruned to eliminate duplicates Z: 88 51.531 2.218 0.846 0.468 0.885 0.621 CB 1.575 88 residues pruned to eliminate duplicates Z: 41 39.367 2.311 0.854 0.465 0.925 0.600 CB 1.628 41 residues pruned to eliminate duplicates Z: 47 45.101 2.308 0.958 0.444 0.935 0.652 CB 1.666 47 residues pruned to eliminate duplicates Z: 63 45.094 2.336 0.894 0.419 0.855 0.629 CB 1.649 63 residues pruned to eliminate duplicates Z: 96 58.384 2.292 0.979 0.417 0.884 0.611 CB 1.629 96 residues pruned to eliminate duplicates Z: 52 39.754 2.306 0.844 0.405 0.902 0.588 CB 1.603 52 residues pruned to eliminate duplicates Z: 69 47.100 2.322 0.957 0.384 0.868 0.676 CB 1.638 69 residues pruned to eliminate duplicates Z: 69 48.591 2.237 0.961 0.436 0.912 0.500 CB 1.574 69 residues pruned to eliminate duplicates Z: 72 51.391 2.286 0.926 0.414 0.915 0.648 CB 1.655 72 residues pruned to eliminate duplicates Z: 93 55.915 2.264 0.912 0.421 0.891 0.630 CB 1.640 73 residues pruned to eliminate duplicates Z: 6 4.573 1.693 0.324 0.224 1.000 0.800 CA 1.260 6 residues pruned to eliminate duplicates Z: 85 55.040 2.291 0.963 0.443 0.905 0.631 CB 1.565 85 residues pruned to eliminate duplicates Z: 50 39.837 2.278 0.887 0.415 0.878 0.694 CB 1.650 50 residues pruned to eliminate duplicates Z: 49 40.889 2.262 0.845 0.428 0.917 0.604 CB 1.662 49 residues pruned to eliminate duplicates Z: 52 38.607 2.300 0.944 0.381 0.863 0.569 CB 1.591 52 residues pruned to eliminate duplicates Z: 73 44.669 2.301 0.889 0.382 0.861 0.569 CB 1.594 73 residues pruned to eliminate duplicates Z: 120 67.331 2.367 0.892 0.420 0.891 0.597 CB 1.682 120 residues pruned to eliminate duplicates Z: 20 17.613 2.216 0.891 0.306 0.737 0.421 CB 1.624 20 residues pruned to eliminate duplicates Z: 82 51.468 2.287 0.941 0.440 0.864 0.593 CB 1.585 82 residues pruned to eliminate duplicates Z: 90 50.406 2.293 0.853 0.404 0.854 0.618 CB 1.630 90 residues pruned to eliminate duplicates Z: 85 51.618 2.277 0.897 0.420 0.905 0.536 CB 1.566 85 residues pruned to eliminate duplicates Z: 29 20.885 2.224 0.753 0.338 0.821 0.607 CB 1.471 29 residues pruned to eliminate duplicates Z: 36 24.157 2.205 0.772 0.314 0.829 0.629 CB 1.550 36 residues pruned to eliminate duplicates Z: 56 43.584 2.305 0.985 0.412 0.891 0.618 CB 1.582 56 residues pruned to eliminate duplicates Z: 60 45.702 2.330 0.997 0.412 0.864 0.627 CB 1.623 60 residues pruned to eliminate duplicates Z: 104 54.936 2.256 0.932 0.440 0.893 0.602 CB 1.480 93 residues pruned to eliminate duplicates Z: 6 5.527 1.691 0.755 0.271 0.800 0.600 CB 1.350 6 residues pruned to eliminate duplicates Z: 97 59.161 2.292 1.022 0.426 0.865 0.677 CB 1.627 97 residues pruned to eliminate duplicates Z: 72 47.042 2.318 0.878 0.396 0.901 0.662 CB 1.588 72 residues pruned to eliminate duplicates Z: 63 46.774 2.325 0.902 0.407 0.887 0.645 CB 1.669 63 residues pruned to eliminate duplicates Z: 86 49.677 2.247 0.959 0.382 0.859 0.588 CB 1.616 86 residues pruned to eliminate duplicates Z: 76 44.596 2.274 0.841 0.352 0.907 0.600 CB 1.592 76 residues pruned to eliminate duplicates Z: 29 25.034 2.258 0.920 0.307 0.857 0.464 CB 1.578 29 residues pruned to eliminate duplicates Z: 71 48.583 2.337 0.864 0.397 0.914 0.629 CB 1.626 71 residues pruned to eliminate duplicates Z: 92 50.484 2.274 0.861 0.391 0.879 0.626 CB 1.596 92 residues pruned to eliminate duplicates Z: 73 44.592 2.304 0.839 0.383 0.875 0.542 CB 1.605 73 residues pruned to eliminate duplicates Z: 90 55.167 2.279 0.947 0.424 0.899 0.584 CB 1.586 90 residues pruned to eliminate duplicates Z: 25 21.151 2.285 0.658 0.305 0.875 0.583 CB 1.617 25 residues pruned to eliminate duplicates Z: 21 28.441 2.390 0.758 0.466 0.900 0.550 CB 1.742 21 residues pruned to eliminate duplicates Z: 95 55.529 2.274 0.955 0.426 0.862 0.564 CB 1.614 95 residues pruned to eliminate duplicates Z: 75 43.936 2.277 0.921 0.356 0.865 0.541 CB 1.578 75 residues pruned to eliminate duplicates Z: 7 16.760 2.243 0.789 0.680 0.833 0.833 CB 1.734 7 residues pruned to eliminate duplicates Z: 8 10.879 2.192 0.647 0.604 0.857 0.571 CA 1.204 Z: 6 4.529 1.706 1.315 0.368 0.800 0.400 CB 0.739 14 residues pruned to eliminate duplicates Z: 53 54.423 2.443 1.037 0.488 0.865 0.577 CB 1.774 53 residues pruned to eliminate duplicates Z: 53 56.626 2.436 1.034 0.498 0.846 0.538 CB 1.876 53 residues pruned to eliminate duplicates Z: 53 56.396 2.425 1.017 0.488 0.885 0.577 CB 1.828 53 residues pruned to eliminate duplicates Z: 78 66.038 2.464 0.941 0.522 0.883 0.610 CB 1.744 78 residues pruned to eliminate duplicates Z: 51 63.896 2.447 1.053 0.546 0.920 0.520 CB 1.869 51 residues pruned to eliminate duplicates Z: 9 24.105 2.455 1.514 0.427 0.875 0.500 CB 1.703 9 residues pruned to eliminate duplicates Z: 24 32.829 2.415 1.109 0.349 0.826 0.522 CB 1.915 24 residues pruned to eliminate duplicates Z: 78 63.801 2.461 0.836 0.505 0.909 0.597 CB 1.762 78 residues pruned to eliminate duplicates Z: 22 28.291 2.487 0.935 0.404 0.810 0.429 CB 1.754 22 residues pruned to eliminate duplicates Z: 79 73.469 2.457 1.050 0.530 0.910 0.628 CB 1.760 79 residues pruned to eliminate duplicates Z: 92 61.172 2.378 0.795 0.477 0.890 0.582 CB 1.728 90 residues pruned to eliminate duplicates Z: 7 10.030 2.075 0.909 0.340 0.833 0.333 CA 1.477 7 residues pruned to eliminate duplicates Z: 100 58.375 2.329 0.915 0.414 0.869 0.535 CB 1.657 100 residues pruned to eliminate duplicates Z: 22 23.189 2.391 0.863 0.278 0.810 0.381 CB 1.803 22 residues pruned to eliminate duplicates Z: 23 31.589 2.481 1.199 0.398 0.773 0.500 CB 1.780 23 residues pruned to eliminate duplicates Z: 160 86.801 2.353 0.952 0.474 0.906 0.623 CB 1.698 160 residues pruned to eliminate duplicates Z: 67 58.042 2.439 0.748 0.511 0.955 0.576 CB 1.736 67 residues pruned to eliminate duplicates Z: 6 3.729 1.718 0.321 0.297 1.000 0.400 CB 0.922 Z: 6 10.254 1.796 1.110 0.397 1.000 0.400 CB 1.348 Z: 9 10.989 2.094 0.545 0.457 0.875 0.500 CB 1.434 9 residues pruned to eliminate duplicates Z: 17 25.532 2.143 0.792 0.535 0.938 0.312 CB 1.713 29 residues pruned to eliminate duplicates Z: 36 43.007 2.365 0.843 0.539 0.914 0.543 CB 1.756 36 residues pruned to eliminate duplicates Z: 15 21.846 2.237 0.754 0.452 1.000 0.357 CB 1.563 15 residues pruned to eliminate duplicates Z: 50 47.780 2.425 0.825 0.483 0.837 0.510 CB 1.875 50 residues pruned to eliminate duplicates Z: 29 49.918 2.439 0.860 0.683 0.964 0.643 CB 1.822 29 residues pruned to eliminate duplicates Z: 34 41.832 2.313 0.841 0.582 0.909 0.606 CB 1.739 34 residues pruned to eliminate duplicates Z: 38 44.418 2.403 0.867 0.550 0.838 0.622 CB 1.850 38 residues pruned to eliminate duplicates Z: 30 50.137 2.396 0.900 0.637 1.000 0.552 CB 1.799 30 residues pruned to eliminate duplicates Z: 30 49.469 2.356 0.980 0.666 0.931 0.724 CB 1.814 30 residues pruned to eliminate duplicates Z: 49 59.310 2.447 0.998 0.515 0.938 0.583 CB 1.840 49 residues pruned to eliminate duplicates Z: 79 57.024 2.338 1.005 0.471 0.897 0.551 CB 1.581 79 residues pruned to eliminate duplicates Z: 31 39.953 2.454 0.857 0.545 0.967 0.633 CB 1.585 31 residues pruned to eliminate duplicates Z: 63 53.104 2.352 0.855 0.512 0.952 0.613 CB 1.606 63 residues pruned to eliminate duplicates Z: 19 27.643 2.145 0.564 0.729 1.000 0.778 CB 1.580 19 residues pruned to eliminate duplicates Z: 16 21.913 2.183 0.530 0.779 0.933 0.800 CB 1.420 16 residues pruned to eliminate duplicates Z: 21 32.995 2.347 0.722 0.684 0.950 0.800 CB 1.623 21 residues pruned to eliminate duplicates Z: 16 21.993 2.056 0.252 0.911 1.000 0.733 CB 1.564 16 residues pruned to eliminate duplicates Z: 65 61.032 2.460 0.979 0.491 0.922 0.594 CB 1.715 65 residues pruned to eliminate duplicates Z: 20 35.025 2.449 0.736 0.673 0.947 0.737 CB 1.700 20 residues pruned to eliminate duplicates Z: 21 34.081 2.357 0.797 0.677 0.950 0.800 CB 1.609 21 residues pruned to eliminate duplicates Z: 14 34.847 2.248 0.956 0.871 1.000 0.846 CB 1.604 14 residues pruned to eliminate duplicates Z: 14 27.871 2.257 0.786 0.893 0.846 0.692 CB 1.627 14 residues pruned to eliminate duplicates Z: 21 38.445 2.335 0.995 0.679 1.000 0.800 CB 1.565 21 residues pruned to eliminate duplicates Z: 15 29.252 2.197 0.779 0.851 0.929 0.714 CB 1.595 15 residues pruned to eliminate duplicates Z: 31 45.230 2.461 0.996 0.571 0.967 0.733 CB 1.623 31 residues pruned to eliminate duplicates Z: 76 65.191 2.441 0.985 0.486 0.920 0.533 CB 1.713 76 residues pruned to eliminate duplicates Z: 33 43.395 2.351 1.051 0.536 0.969 0.656 CB 1.585 33 residues pruned to eliminate duplicates 363 residues left after pruning, divided into chains as follows: A: 15 B: 157 C: 20 D: 151 E: 20 CC for partial structure against native data = 40.60 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.532, Connect. = 0.756 for dens.mod. cycle 1 = 0.300, Contrast = 0.613, Connect. = 0.787 for dens.mod. cycle 2 = 0.300, Contrast = 0.726, Connect. = 0.815 for dens.mod. cycle 3 = 0.300, Contrast = 0.741, Connect. = 0.819 for dens.mod. cycle 4 = 0.300, Contrast = 0.755, Connect. = 0.822 for dens.mod. cycle 5 = 0.300, Contrast = 0.761, Connect. = 0.824 for dens.mod. cycle 6 = 0.300, Contrast = 0.767, Connect. = 0.826 for dens.mod. cycle 7 = 0.300, Contrast = 0.770, Connect. = 0.827 for dens.mod. cycle 8 = 0.300, Contrast = 0.773, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.773, Connect. = 0.828 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2639 peaks > 0.5 sigma used to seed fragment search Space for about 560 unique residues taking solvent into account 586 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 59 50.196 2.440 0.827 0.473 0.862 0.552 CB 1.764 B: 52 56.027 2.453 0.962 0.524 0.902 0.588 CB 1.765 52 residues pruned to eliminate duplicates C: 14 41.489 2.246 1.037 0.924 1.000 0.923 CB 1.766 D: 13 39.883 2.292 1.029 0.896 1.000 0.917 CA 1.773 14 residues pruned to eliminate duplicates E: 15 9.171 1.940 0.535 0.441 0.786 0.429 CB 1.113 15 residues pruned to eliminate duplicates F: 13 41.608 2.370 0.867 0.908 1.000 0.833 CA 1.928 13 residues pruned to eliminate duplicates G: 15 28.524 2.105 0.516 0.915 1.000 0.786 CB 1.688 H: 16 48.970 2.362 1.186 0.905 0.933 0.600 CA 1.868 16 residues pruned to eliminate duplicates I: 19 35.678 2.429 1.260 0.503 0.889 0.611 CB 1.718 J: 15 48.338 2.437 1.069 0.947 0.929 0.714 CB 1.906 15 residues pruned to eliminate duplicates K: 87 53.354 2.301 0.979 0.457 0.837 0.628 CB 1.577 37 residues pruned to eliminate duplicates L: 15 31.861 2.169 0.571 0.918 1.000 0.929 CB 1.763 15 residues pruned to eliminate duplicates M: 12 47.608 2.476 1.097 0.890 1.000 0.909 CA 1.989 12 residues pruned to eliminate duplicates N: 13 35.025 2.342 1.052 0.855 0.917 0.917 CB 1.694 13 residues pruned to eliminate duplicates O: 10 19.573 2.356 0.970 0.526 0.889 0.778 CB 1.542 10 residues pruned to eliminate duplicates P: 12 44.248 2.517 0.960 0.889 1.000 0.909 CA 1.948 12 residues pruned to eliminate duplicates Q: 7 13.027 2.180 0.329 0.723 1.000 0.667 CB 1.500 R: 22 42.816 2.387 1.210 0.530 0.952 0.667 CB 1.805 22 residues pruned to eliminate duplicates S: 66 56.192 2.475 0.949 0.437 0.892 0.554 CB 1.728 58 residues pruned to eliminate duplicates T: 10 12.611 2.219 0.679 0.408 0.778 0.556 CA 1.599 10 residues pruned to eliminate duplicates U: 13 44.443 2.358 0.981 0.924 1.000 0.833 CA 1.929 13 residues pruned to eliminate duplicates V: 15 22.310 2.131 0.179 0.905 1.000 0.929 CB 1.689 W: 15 31.256 2.102 0.801 0.896 1.000 0.929 CB 1.581 15 residues pruned to eliminate duplicates X: 73 44.178 2.344 0.817 0.382 0.847 0.583 CB 1.636 54 residues pruned to eliminate duplicates Y: 51 43.853 2.400 0.711 0.474 0.880 0.580 CB 1.762 51 residues pruned to eliminate duplicates Z: 131 66.689 2.298 0.844 0.465 0.892 0.685 CB 1.603 22 residues pruned to eliminate duplicates Z: 32 37.004 2.395 0.820 0.514 0.903 0.710 CB 1.664 35 residues pruned to eliminate duplicates Z: 16 41.403 2.361 0.812 0.896 0.933 0.667 CA 1.918 16 residues pruned to eliminate duplicates Z: 69 48.396 2.320 0.955 0.396 0.897 0.632 CB 1.610 69 residues pruned to eliminate duplicates Z: 98 59.655 2.290 0.877 0.472 0.887 0.598 CB 1.635 98 residues pruned to eliminate duplicates Z: 26 26.387 2.223 1.022 0.372 0.840 0.480 CB 1.602 26 residues pruned to eliminate duplicates Z: 17 36.515 2.246 0.808 0.890 0.938 0.812 CB 1.725 17 residues pruned to eliminate duplicates Z: 14 29.072 2.255 0.595 0.901 1.000 0.923 CB 1.600 14 residues pruned to eliminate duplicates Z: 17 45.519 2.331 0.961 0.887 1.000 0.750 CB 1.795 17 residues pruned to eliminate duplicates Z: 17 39.477 2.367 0.864 0.883 0.875 0.688 CB 1.848 17 residues pruned to eliminate duplicates Z: 10 10.878 2.108 0.801 0.428 0.667 0.444 CA 1.544 Z: 6 15.195 2.338 0.586 0.667 1.000 0.600 CB 1.570 6 residues pruned to eliminate duplicates Z: 27 29.146 2.266 0.797 0.454 0.885 0.500 CB 1.664 12 residues pruned to eliminate duplicates Z: 10 8.123 2.222 0.690 0.351 0.556 0.444 CA 1.526 13 residues pruned to eliminate duplicates Z: 89 58.260 2.305 0.955 0.460 0.886 0.682 CB 1.619 96 residues pruned to eliminate duplicates Z: 11 15.290 2.376 0.908 0.419 0.900 0.700 CB 1.289 11 residues pruned to eliminate duplicates Z: 21 34.387 2.440 1.382 0.477 0.800 0.750 CB 1.692 21 residues pruned to eliminate duplicates Z: 110 63.894 2.355 0.955 0.411 0.881 0.596 CB 1.658 105 residues pruned to eliminate duplicates Z: 16 43.225 2.394 0.899 0.899 0.933 0.600 CB 1.881 16 residues pruned to eliminate duplicates Z: 93 45.381 2.231 0.823 0.354 0.870 0.522 CB 1.566 93 residues pruned to eliminate duplicates Z: 58 63.811 2.459 0.909 0.605 0.965 0.684 CB 1.689 58 residues pruned to eliminate duplicates Z: 17 18.815 2.320 0.450 0.425 0.875 0.562 CB 1.728 17 residues pruned to eliminate duplicates Z: 17 41.884 2.330 0.886 0.895 0.938 0.812 CB 1.822 17 residues pruned to eliminate duplicates Z: 11 11.875 2.116 0.809 0.206 0.900 0.400 CB 1.544 11 residues pruned to eliminate duplicates Z: 64 45.848 2.313 0.848 0.473 0.889 0.524 CB 1.563 64 residues pruned to eliminate duplicates Z: 13 53.569 2.341 1.324 0.941 1.000 0.917 CA 1.972 13 residues pruned to eliminate duplicates Z: 66 57.756 2.471 0.963 0.443 0.877 0.585 CB 1.786 66 residues pruned to eliminate duplicates Z: 11 20.197 2.171 0.531 0.808 0.900 0.700 CB 1.632 11 residues pruned to eliminate duplicates Z: 16 41.854 2.461 1.019 0.757 0.867 0.600 CA 1.997 16 residues pruned to eliminate duplicates Z: 78 64.264 2.364 0.982 0.500 0.935 0.623 CB 1.671 78 residues pruned to eliminate duplicates Z: 17 39.416 2.322 0.739 0.884 1.000 0.750 CB 1.764 17 residues pruned to eliminate duplicates Z: 17 35.843 2.324 0.730 0.854 0.938 0.750 CB 1.755 17 residues pruned to eliminate duplicates Z: 14 28.781 2.250 0.758 0.844 0.923 0.846 CB 1.627 14 residues pruned to eliminate duplicates Z: 31 38.329 2.425 0.759 0.559 0.933 0.700 CB 1.660 31 residues pruned to eliminate duplicates Z: 15 33.067 2.172 0.745 0.905 0.929 0.786 CA 1.787 15 residues pruned to eliminate duplicates Z: 17 42.369 2.390 1.030 0.878 0.875 0.625 CB 1.810 17 residues pruned to eliminate duplicates Z: 14 28.779 2.236 0.465 0.925 1.000 0.923 CB 1.709 14 residues pruned to eliminate duplicates Z: 33 48.793 2.379 1.343 0.567 0.875 0.688 CB 1.658 33 residues pruned to eliminate duplicates Z: 85 46.187 2.242 0.810 0.387 0.893 0.619 CB 1.567 72 residues pruned to eliminate duplicates Z: 10 21.615 2.152 0.721 0.766 1.000 0.667 CB 1.537 10 residues pruned to eliminate duplicates Z: 31 41.439 2.462 0.772 0.569 0.967 0.767 CB 1.679 31 residues pruned to eliminate duplicates Z: 10 16.690 2.087 0.429 0.889 1.000 0.778 CA 1.343 10 residues pruned to eliminate duplicates Z: 49 53.321 2.426 1.000 0.497 0.854 0.583 CB 1.862 49 residues pruned to eliminate duplicates Z: 80 61.564 2.380 0.969 0.471 0.924 0.620 CB 1.647 80 residues pruned to eliminate duplicates Z: 15 28.645 2.134 0.545 0.891 1.000 0.857 CB 1.670 15 residues pruned to eliminate duplicates Z: 17 40.089 2.374 0.891 0.879 0.875 0.750 CA 1.850 17 residues pruned to eliminate duplicates Z: 9 21.876 2.138 0.576 0.880 1.000 0.875 CB 1.663 9 residues pruned to eliminate duplicates Z: 13 35.537 2.256 1.039 0.840 0.917 0.833 CA 1.816 13 residues pruned to eliminate duplicates Z: 56 59.180 2.490 0.826 0.579 0.927 0.691 CB 1.754 56 residues pruned to eliminate duplicates Z: 13 37.386 2.415 0.786 0.930 1.000 0.917 CB 1.750 13 residues pruned to eliminate duplicates Z: 14 37.128 2.198 0.822 0.931 1.000 1.000 CA 1.797 14 residues pruned to eliminate duplicates Z: 22 22.479 2.301 0.927 0.317 0.810 0.571 CB 1.672 22 residues pruned to eliminate duplicates Z: 12 15.380 1.927 0.298 0.738 1.000 0.636 CB 1.497 12 residues pruned to eliminate duplicates Z: 87 63.730 2.438 0.916 0.450 0.895 0.605 CB 1.730 87 residues pruned to eliminate duplicates Z: 30 29.566 2.191 0.941 0.417 0.862 0.690 CB 1.632 3 residues pruned to eliminate duplicates Z: 17 36.804 2.255 0.663 0.871 1.000 1.000 CA 1.789 17 residues pruned to eliminate duplicates Z: 43 40.536 2.323 0.806 0.434 0.929 0.595 CB 1.719 43 residues pruned to eliminate duplicates Z: 104 63.697 2.371 0.904 0.417 0.913 0.612 CB 1.661 104 residues pruned to eliminate duplicates Z: 51 52.454 2.461 0.902 0.513 0.900 0.540 CB 1.738 51 residues pruned to eliminate duplicates Z: 14 29.149 2.204 0.680 0.842 1.000 0.692 CB 1.626 15 residues pruned to eliminate duplicates Z: 39 23.225 2.195 0.662 0.348 0.789 0.579 CB 1.542 39 residues pruned to eliminate duplicates Z: 14 18.874 2.070 0.943 0.429 0.923 0.769 CB 1.517 14 residues pruned to eliminate duplicates Z: 19 24.791 2.147 0.924 0.567 0.944 0.667 CB 1.403 19 residues pruned to eliminate duplicates Z: 12 15.847 2.445 0.342 0.484 0.909 0.727 CB 1.627 12 residues pruned to eliminate duplicates Z: 16 34.046 2.366 0.505 0.882 0.933 0.800 CB 1.915 16 residues pruned to eliminate duplicates Z: 66 47.030 2.233 0.828 0.507 0.923 0.646 CB 1.537 66 residues pruned to eliminate duplicates Z: 67 45.482 2.348 0.822 0.386 0.894 0.576 CB 1.653 67 residues pruned to eliminate duplicates Z: 15 38.601 2.189 0.971 0.933 1.000 0.786 CB 1.668 16 residues pruned to eliminate duplicates Z: 7 12.290 1.779 0.624 0.732 1.000 1.000 CA 1.409 7 residues pruned to eliminate duplicates Z: 14 30.371 2.219 0.869 0.868 0.923 0.923 CB 1.609 14 residues pruned to eliminate duplicates Z: 8 11.817 1.721 0.592 0.689 1.000 0.857 CA 1.371 8 residues pruned to eliminate duplicates Z: 75 50.959 2.314 0.921 0.407 0.905 0.649 CB 1.623 75 residues pruned to eliminate duplicates Z: 51 44.277 2.252 0.859 0.455 0.940 0.720 CB 1.666 51 residues pruned to eliminate duplicates Z: 15 31.827 2.177 0.646 0.901 1.000 1.000 CB 1.694 15 residues pruned to eliminate duplicates Z: 46 44.237 2.337 0.942 0.417 0.956 0.622 CB 1.658 46 residues pruned to eliminate duplicates Z: 14 34.427 2.281 0.833 0.874 1.000 0.846 CB 1.662 14 residues pruned to eliminate duplicates Z: 14 28.996 2.198 0.794 0.900 1.000 0.846 CB 1.457 13 residues pruned to eliminate duplicates Z: 33 39.051 2.350 1.024 0.473 0.906 0.688 CB 1.647 33 residues pruned to eliminate duplicates Z: 46 40.684 2.282 0.846 0.449 0.911 0.733 CB 1.664 46 residues pruned to eliminate duplicates Z: 6 9.379 2.226 0.934 0.625 0.600 0.400 N 1.444 6 residues pruned to eliminate duplicates Z: 12 17.881 1.858 0.477 0.813 1.000 0.636 CB 1.496 12 residues pruned to eliminate duplicates Z: 14 35.119 2.192 0.880 0.909 1.000 0.923 CB 1.677 15 residues pruned to eliminate duplicates Z: 18 20.970 2.267 0.547 0.422 0.882 0.588 CA 1.783 18 residues pruned to eliminate duplicates Z: 16 34.623 2.135 0.779 0.877 1.000 0.867 CB 1.709 16 residues pruned to eliminate duplicates Z: 63 44.904 2.298 0.855 0.400 0.903 0.613 CB 1.646 63 residues pruned to eliminate duplicates Z: 72 43.629 2.325 0.820 0.396 0.859 0.606 CB 1.590 72 residues pruned to eliminate duplicates Z: 140 91.388 2.465 1.026 0.463 0.921 0.662 CB 1.750 140 residues pruned to eliminate duplicates Z: 101 55.061 2.246 0.928 0.428 0.890 0.600 CB 1.539 101 residues pruned to eliminate duplicates Z: 16 21.112 2.406 0.753 0.452 0.800 0.600 CA 1.696 16 residues pruned to eliminate duplicates Z: 16 35.920 2.304 0.563 0.890 1.000 0.800 CB 1.853 16 residues pruned to eliminate duplicates Z: 10 16.615 2.078 0.489 0.768 0.889 0.667 CB 1.589 10 residues pruned to eliminate duplicates Z: 10 7.862 1.679 0.595 0.480 0.889 0.667 CB 1.124 10 residues pruned to eliminate duplicates Z: 55 49.790 2.396 0.862 0.509 0.833 0.519 CB 1.808 55 residues pruned to eliminate duplicates Z: 73 45.356 2.344 0.829 0.392 0.847 0.639 CB 1.651 73 residues pruned to eliminate duplicates Z: 50 47.630 2.418 0.827 0.499 0.918 0.612 CB 1.679 50 residues pruned to eliminate duplicates Z: 21 28.871 2.329 0.598 0.640 0.950 0.750 CB 1.603 21 residues pruned to eliminate duplicates Z: 12 16.883 1.871 0.431 0.899 0.909 0.818 CB 1.495 12 residues pruned to eliminate duplicates Z: 17 35.793 2.282 0.631 0.909 0.938 0.938 CA 1.819 17 residues pruned to eliminate duplicates Z: 69 45.764 2.311 0.834 0.394 0.897 0.647 CB 1.633 69 residues pruned to eliminate duplicates Z: 10 22.610 2.176 0.706 0.711 0.889 0.667 CB 1.886 10 residues pruned to eliminate duplicates Z: 103 55.291 2.292 0.859 0.409 0.873 0.647 CB 1.619 113 residues pruned to eliminate duplicates Z: 28 20.579 2.278 0.721 0.322 0.815 0.519 CB 1.509 28 residues pruned to eliminate duplicates Z: 68 49.105 2.349 0.883 0.410 0.896 0.657 CB 1.664 68 residues pruned to eliminate duplicates Z: 102 57.253 2.311 0.798 0.438 0.891 0.673 CB 1.640 101 residues pruned to eliminate duplicates Z: 98 48.747 2.322 0.838 0.346 0.887 0.526 CB 1.545 98 residues pruned to eliminate duplicates Z: 13 16.851 2.301 1.012 0.406 0.750 0.417 CB 1.547 13 residues pruned to eliminate duplicates Z: 10 14.501 2.044 0.065 0.889 1.000 0.778 CB 1.599 10 residues pruned to eliminate duplicates Z: 6 8.354 2.217 0.828 0.481 0.800 0.600 CB 1.175 6 residues pruned to eliminate duplicates Z: 13 17.710 1.839 0.419 0.874 1.000 0.833 CA 1.426 13 residues pruned to eliminate duplicates Z: 10 20.701 2.132 0.499 0.834 1.000 0.778 CB 1.619 10 residues pruned to eliminate duplicates Z: 12 39.910 2.448 1.001 0.942 1.000 0.818 CB 1.704 12 residues pruned to eliminate duplicates Z: 57 37.564 2.169 0.724 0.426 0.929 0.571 CB 1.562 57 residues pruned to eliminate duplicates Z: 14 27.329 2.232 0.471 0.923 1.000 0.846 CB 1.622 14 residues pruned to eliminate duplicates Z: 31 19.672 2.252 0.608 0.303 0.767 0.567 CB 1.612 31 residues pruned to eliminate duplicates Z: 13 29.717 2.224 1.156 0.615 1.000 0.833 CB 1.605 13 residues pruned to eliminate duplicates Z: 121 76.877 2.373 1.005 0.454 0.908 0.617 CB 1.702 121 residues pruned to eliminate duplicates Z: 13 38.715 2.268 0.911 0.901 1.000 0.833 CA 1.840 13 residues pruned to eliminate duplicates Z: 134 79.740 2.402 0.926 0.456 0.902 0.602 CB 1.734 134 residues pruned to eliminate duplicates Z: 48 53.582 2.483 0.983 0.492 0.851 0.489 CB 1.881 48 residues pruned to eliminate duplicates Z: 49 42.629 2.344 0.925 0.422 0.875 0.646 CB 1.691 49 residues pruned to eliminate duplicates Z: 13 25.802 2.344 0.344 0.922 1.000 0.917 CB 1.663 13 residues pruned to eliminate duplicates Z: 15 57.198 2.654 1.119 0.845 0.929 0.857 CB 2.175 15 residues pruned to eliminate duplicates Z: 48 40.236 2.281 1.010 0.409 0.894 0.681 CB 1.575 48 residues pruned to eliminate duplicates Z: 13 38.410 2.392 0.894 0.928 1.000 0.833 CB 1.714 13 residues pruned to eliminate duplicates Z: 13 37.172 2.367 0.933 0.914 1.000 0.833 CB 1.658 13 residues pruned to eliminate duplicates Z: 26 26.013 2.351 0.867 0.319 0.880 0.440 CB 1.645 26 residues pruned to eliminate duplicates Z: 85 48.331 2.273 0.817 0.400 0.905 0.548 CB 1.567 85 residues pruned to eliminate duplicates Z: 26 42.003 2.424 0.729 0.650 0.880 0.640 CB 1.980 26 residues pruned to eliminate duplicates Z: 6 10.901 2.037 0.572 0.771 0.800 0.600 CB 1.498 6 residues pruned to eliminate duplicates Z: 12 19.907 2.409 0.596 0.485 1.000 0.909 CB 1.585 12 residues pruned to eliminate duplicates Z: 60 50.521 2.420 1.081 0.447 0.864 0.525 CB 1.595 60 residues pruned to eliminate duplicates Z: 17 35.732 2.500 1.086 0.559 0.938 0.625 CB 1.726 17 residues pruned to eliminate duplicates Z: 9 10.383 2.221 0.643 0.478 0.625 0.625 CA 1.646 9 residues pruned to eliminate duplicates Z: 71 48.341 2.373 0.915 0.385 0.857 0.614 CB 1.676 71 residues pruned to eliminate duplicates Z: 88 58.444 2.369 0.941 0.427 0.885 0.575 CB 1.661 88 residues pruned to eliminate duplicates Z: 78 51.652 2.312 0.944 0.388 0.883 0.571 CB 1.669 78 residues pruned to eliminate duplicates Z: 40 38.045 2.373 0.647 0.490 0.872 0.564 CB 1.805 40 residues pruned to eliminate duplicates Z: 56 65.545 2.462 0.913 0.583 0.982 0.636 CB 1.765 56 residues pruned to eliminate duplicates Z: 14 25.243 2.158 0.470 0.906 1.000 0.923 CB 1.570 14 residues pruned to eliminate duplicates Z: 38 37.202 2.322 0.684 0.547 0.838 0.568 CB 1.783 38 residues pruned to eliminate duplicates Z: 17 38.524 2.308 0.986 0.870 0.938 0.625 CB 1.636 17 residues pruned to eliminate duplicates Z: 9 15.429 2.109 0.299 0.825 0.875 0.875 CA 1.718 9 residues pruned to eliminate duplicates Z: 16 43.269 2.337 0.893 0.929 0.933 0.800 CB 1.894 16 residues pruned to eliminate duplicates Z: 40 32.156 2.169 0.879 0.357 0.897 0.538 CB 1.643 40 residues pruned to eliminate duplicates Z: 15 44.388 2.326 1.043 0.945 0.929 0.714 CB 1.861 15 residues pruned to eliminate duplicates Z: 34 34.785 2.438 0.855 0.456 0.818 0.515 CB 1.713 34 residues pruned to eliminate duplicates Z: 14 31.693 2.264 0.741 0.853 1.000 0.692 CB 1.648 14 residues pruned to eliminate duplicates Z: 12 17.538 1.816 0.639 0.793 1.000 0.818 CB 1.374 12 residues pruned to eliminate duplicates Z: 14 18.035 2.293 1.047 0.428 0.846 0.692 CB 1.358 14 residues pruned to eliminate duplicates Z: 11 22.747 2.135 0.743 0.780 0.900 0.600 CA 1.679 11 residues pruned to eliminate duplicates Z: 99 47.542 2.230 0.828 0.349 0.878 0.541 CB 1.582 99 residues pruned to eliminate duplicates Z: 20 38.190 2.478 1.231 0.653 0.842 0.684 CB 1.631 20 residues pruned to eliminate duplicates Z: 8 9.846 1.743 0.353 0.735 0.857 0.714 CB 1.491 8 residues pruned to eliminate duplicates Z: 63 42.974 2.270 0.927 0.390 0.871 0.565 CB 1.610 63 residues pruned to eliminate duplicates Z: 30 39.476 2.247 0.897 0.641 0.931 0.759 CB 1.618 30 residues pruned to eliminate duplicates Z: 31 40.732 2.259 0.819 0.663 0.900 0.767 CB 1.728 30 residues pruned to eliminate duplicates Z: 15 16.288 1.992 0.724 0.455 0.857 0.714 CA 1.548 Z: 63 48.684 2.381 0.831 0.448 0.855 0.548 CB 1.749 63 residues pruned to eliminate duplicates Z: 40 25.857 2.210 0.825 0.296 0.846 0.564 CB 1.525 40 residues pruned to eliminate duplicates Z: 12 20.246 2.030 0.841 0.680 0.909 0.636 CA 1.523 12 residues pruned to eliminate duplicates Z: 9 16.692 2.290 1.036 0.495 0.875 0.875 CB 1.453 9 residues pruned to eliminate duplicates Z: 6 6.262 1.488 0.691 0.635 0.800 0.600 N 1.226 6 residues pruned to eliminate duplicates Z: 6 5.298 1.833 -0.089 0.642 0.800 0.600 CA 1.553 6 residues pruned to eliminate duplicates Z: 14 31.619 2.262 0.656 0.920 1.000 0.923 CB 1.648 14 residues pruned to eliminate duplicates Z: 15 34.856 2.234 0.760 0.922 1.000 0.714 CB 1.666 15 residues pruned to eliminate duplicates Z: 16 36.773 2.341 0.737 0.900 0.933 0.867 CB 1.786 16 residues pruned to eliminate duplicates Z: 97 51.350 2.243 0.815 0.437 0.875 0.667 CB 1.570 97 residues pruned to eliminate duplicates Z: 16 13.095 2.051 0.754 0.250 0.867 0.533 CB 1.446 16 residues pruned to eliminate duplicates Z: 11 17.045 2.011 0.508 0.904 0.900 0.800 CB 1.407 11 residues pruned to eliminate duplicates Z: 18 19.166 2.039 0.386 0.713 0.941 0.824 CB 1.441 18 residues pruned to eliminate duplicates Z: 26 23.906 2.156 0.794 0.409 0.800 0.560 CB 1.701 26 residues pruned to eliminate duplicates Z: 15 24.668 2.110 0.552 0.820 0.929 0.929 CB 1.643 15 residues pruned to eliminate duplicates Z: 24 15.228 1.887 0.437 0.444 0.913 0.609 CB 1.358 18 residues pruned to eliminate duplicates Z: 13 11.042 1.859 0.742 0.494 0.833 0.667 CB 1.189 13 residues pruned to eliminate duplicates Z: 40 39.844 2.178 1.105 0.577 0.897 0.718 CB 1.439 40 residues pruned to eliminate duplicates Z: 10 23.321 2.053 0.886 0.806 1.000 0.444 CB 1.537 10 residues pruned to eliminate duplicates Z: 13 17.811 1.687 0.660 0.848 1.000 1.000 CA 1.362 13 residues pruned to eliminate duplicates Z: 43 40.869 2.326 0.862 0.467 0.929 0.690 CB 1.621 43 residues pruned to eliminate duplicates Z: 25 26.733 2.157 0.808 0.481 0.917 0.458 CB 1.556 25 residues pruned to eliminate duplicates Z: 33 22.366 2.135 0.675 0.431 0.844 0.469 CB 1.408 18 residues pruned to eliminate duplicates Z: 11 20.840 2.012 0.533 0.877 1.000 0.900 CA 1.552 11 residues pruned to eliminate duplicates Z: 71 47.915 2.344 0.887 0.388 0.886 0.629 CB 1.646 71 residues pruned to eliminate duplicates Z: 50 44.278 2.317 0.916 0.424 0.918 0.694 CB 1.679 50 residues pruned to eliminate duplicates Z: 65 57.198 2.409 0.731 0.547 0.953 0.625 CB 1.719 65 residues pruned to eliminate duplicates Z: 53 40.581 2.281 0.874 0.405 0.904 0.635 CB 1.611 53 residues pruned to eliminate duplicates Z: 9 3.861 1.371 0.710 0.582 0.750 0.375 CA 0.717 9 residues pruned to eliminate duplicates Z: 9 11.589 2.255 0.470 0.427 0.750 0.625 CA 1.778 9 residues pruned to eliminate duplicates Z: 116 77.680 2.372 1.046 0.480 0.878 0.687 CB 1.733 116 residues pruned to eliminate duplicates Z: 18 17.754 2.266 0.434 0.425 0.824 0.706 CB 1.740 18 residues pruned to eliminate duplicates Z: 8 10.360 2.234 0.813 0.200 0.857 0.714 CA 1.611 8 residues pruned to eliminate duplicates Z: 12 18.955 1.892 0.737 0.755 0.909 0.636 CA 1.524 12 residues pruned to eliminate duplicates Z: 24 27.755 2.430 0.746 0.433 0.870 0.435 CB 1.682 24 residues pruned to eliminate duplicates Z: 67 48.825 2.343 0.881 0.410 0.909 0.636 CB 1.649 67 residues pruned to eliminate duplicates Z: 20 23.525 2.111 1.216 0.435 0.947 0.526 CB 1.302 20 residues pruned to eliminate duplicates Z: 7 6.207 1.818 0.563 0.397 0.667 0.667 CA 1.492 7 residues pruned to eliminate duplicates Z: 17 46.324 2.375 0.969 0.827 1.000 0.625 CB 1.866 17 residues pruned to eliminate duplicates Z: 6 13.782 2.144 1.082 0.601 1.000 0.800 CA 1.254 6 residues pruned to eliminate duplicates Z: 12 18.979 1.904 0.398 0.894 1.000 0.909 CA 1.542 12 residues pruned to eliminate duplicates Z: 17 46.858 2.590 0.972 0.762 0.875 0.812 CB 2.077 17 residues pruned to eliminate duplicates Z: 16 27.593 2.299 1.155 0.378 0.933 0.600 CB 1.755 16 residues pruned to eliminate duplicates Z: 28 24.249 2.017 0.608 0.565 0.926 0.630 CB 1.459 28 residues pruned to eliminate duplicates Z: 16 14.000 1.892 0.686 0.433 0.867 0.600 CA 1.402 16 residues pruned to eliminate duplicates Z: 47 42.042 2.304 0.987 0.430 0.913 0.717 CB 1.595 47 residues pruned to eliminate duplicates Z: 10 21.885 2.037 0.611 0.930 1.000 1.000 CB 1.555 10 residues pruned to eliminate duplicates Z: 12 8.943 1.759 0.303 0.474 0.909 0.636 CA 1.328 7 residues pruned to eliminate duplicates Z: 24 36.484 2.403 0.968 0.488 0.870 0.652 CB 1.873 24 residues pruned to eliminate duplicates Z: 16 12.895 2.021 0.567 0.309 0.800 0.600 CA 1.624 16 residues pruned to eliminate duplicates Z: 12 17.986 1.817 0.575 0.889 1.000 0.727 CB 1.364 12 residues pruned to eliminate duplicates Z: 46 37.292 2.214 0.908 0.433 0.889 0.622 CB 1.587 46 residues pruned to eliminate duplicates Z: 13 5.848 1.701 0.815 0.296 0.750 0.417 CB 0.916 13 residues pruned to eliminate duplicates Z: 7 11.376 1.832 0.698 0.692 1.000 0.833 CB 1.252 7 residues pruned to eliminate duplicates Z: 15 26.300 2.054 0.589 0.892 1.000 0.857 CB 1.548 15 residues pruned to eliminate duplicates Z: 44 38.359 2.288 0.460 0.637 0.884 0.674 CB 1.743 44 residues pruned to eliminate duplicates Z: 16 11.621 1.855 0.779 0.441 0.800 0.467 CB 1.208 14 residues pruned to eliminate duplicates Z: 11 18.635 1.960 0.510 0.809 1.000 0.800 CB 1.522 11 residues pruned to eliminate duplicates Z: 16 30.752 2.340 0.567 0.795 0.933 0.867 CB 1.791 16 residues pruned to eliminate duplicates Z: 15 35.379 2.129 0.948 0.929 1.000 0.714 CB 1.596 15 residues pruned to eliminate duplicates Z: 51 38.528 2.311 0.769 0.439 0.840 0.580 CB 1.691 51 residues pruned to eliminate duplicates Z: 33 42.215 2.310 0.901 0.615 0.969 0.469 CB 1.574 33 residues pruned to eliminate duplicates Z: 6 7.424 1.582 0.591 0.873 1.000 0.800 N 0.961 6 residues pruned to eliminate duplicates Z: 12 21.079 1.813 0.787 0.888 1.000 0.818 CB 1.413 12 residues pruned to eliminate duplicates Z: 9 20.145 2.112 1.161 0.634 0.875 0.625 CB 1.573 9 residues pruned to eliminate duplicates Z: 7 14.741 2.272 0.333 0.703 1.000 0.667 CA 1.651 7 residues pruned to eliminate duplicates Z: 13 40.983 2.218 0.999 0.939 1.000 0.750 CB 1.854 13 residues pruned to eliminate duplicates Z: 17 34.056 2.192 0.873 0.828 0.938 0.625 CA 1.666 17 residues pruned to eliminate duplicates Z: 36 50.221 2.450 0.915 0.578 0.914 0.543 CB 1.836 36 residues pruned to eliminate duplicates Z: 9 5.901 1.920 0.381 0.406 0.875 0.625 CB 0.992 9 residues pruned to eliminate duplicates Z: 14 11.623 1.712 0.849 0.477 1.000 0.538 CB 1.042 14 residues pruned to eliminate duplicates Z: 88 49.304 2.290 0.772 0.417 0.862 0.517 CB 1.647 88 residues pruned to eliminate duplicates Z: 13 34.663 2.315 0.861 0.836 0.917 0.917 CA 1.897 13 residues pruned to eliminate duplicates Z: 7 13.407 2.066 0.843 0.655 0.833 0.833 CA 1.494 7 residues pruned to eliminate duplicates Z: 28 41.313 2.372 0.862 0.643 0.963 0.778 CB 1.636 28 residues pruned to eliminate duplicates Z: 10 12.365 1.990 0.839 0.596 1.000 0.778 CB 1.027 10 residues pruned to eliminate duplicates Z: 23 49.338 2.604 1.228 0.600 0.909 0.591 CB 1.813 23 residues pruned to eliminate duplicates Z: 72 49.063 2.336 0.904 0.389 0.887 0.592 CB 1.660 72 residues pruned to eliminate duplicates Z: 15 48.634 2.359 1.068 0.936 1.000 0.786 CB 1.855 15 residues pruned to eliminate duplicates Z: 72 47.603 2.366 0.959 0.378 0.859 0.563 CB 1.616 72 residues pruned to eliminate duplicates Z: 53 49.117 2.395 0.949 0.509 0.846 0.481 CB 1.709 53 residues pruned to eliminate duplicates Z: 15 43.538 2.538 0.868 0.730 1.000 0.714 CA 1.995 15 residues pruned to eliminate duplicates Z: 43 19.125 2.104 0.601 0.318 0.762 0.500 CB 1.406 43 residues pruned to eliminate duplicates Z: 16 26.351 2.091 0.635 0.761 0.933 0.867 CA 1.691 16 residues pruned to eliminate duplicates Z: 33 45.466 2.372 0.906 0.521 0.969 0.656 CB 1.798 33 residues pruned to eliminate duplicates Z: 12 17.885 1.941 0.390 0.878 1.000 0.909 CB 1.450 12 residues pruned to eliminate duplicates Z: 24 23.120 2.396 0.615 0.355 0.870 0.435 CB 1.676 24 residues pruned to eliminate duplicates Z: 10 22.632 2.163 0.789 0.786 1.000 0.778 CB 1.516 10 residues pruned to eliminate duplicates Z: 14 20.298 2.012 0.797 0.567 0.923 0.615 CB 1.580 14 residues pruned to eliminate duplicates Z: 6 5.038 1.626 0.001 0.829 1.000 1.000 CA 1.041 6 residues pruned to eliminate duplicates Z: 25 20.685 2.169 1.040 0.407 0.750 0.542 CB 1.403 25 residues pruned to eliminate duplicates Z: 8 8.156 1.706 0.196 0.574 1.000 0.286 CB 1.407 8 residues pruned to eliminate duplicates Z: 13 12.668 1.929 0.524 0.509 1.000 0.667 CB 1.233 11 residues pruned to eliminate duplicates Z: 15 23.958 2.457 1.142 0.353 0.857 0.786 CB 1.664 15 residues pruned to eliminate duplicates Z: 10 5.582 1.622 0.946 0.342 0.667 0.444 CB 1.051 Z: 44 40.847 2.276 0.940 0.419 0.930 0.605 CB 1.650 44 residues pruned to eliminate duplicates Z: 15 11.573 1.954 0.569 0.406 0.786 0.643 CB 1.417 15 residues pruned to eliminate duplicates Z: 69 57.702 2.375 0.956 0.479 0.897 0.676 CB 1.716 69 residues pruned to eliminate duplicates Z: 77 43.849 2.279 0.815 0.381 0.842 0.539 CB 1.638 77 residues pruned to eliminate duplicates Z: 12 41.447 2.415 0.969 0.907 1.000 0.636 CB 1.869 12 residues pruned to eliminate duplicates Z: 84 63.567 2.363 0.990 0.486 0.892 0.639 CB 1.688 84 residues pruned to eliminate duplicates Z: 20 26.462 2.446 1.079 0.351 0.789 0.474 CA 1.776 20 residues pruned to eliminate duplicates Z: 6 4.049 1.589 0.456 0.393 1.000 0.600 CB 0.877 6 residues pruned to eliminate duplicates Z: 6 28.427 2.329 1.363 0.788 1.000 1.000 C 1.794 6 residues pruned to eliminate duplicates Z: 14 32.098 2.260 0.668 0.872 1.000 0.846 CB 1.721 14 residues pruned to eliminate duplicates Z: 10 15.167 2.290 0.689 0.401 0.889 0.667 CB 1.632 10 residues pruned to eliminate duplicates Z: 18 37.008 2.350 1.342 0.581 0.882 0.824 CB 1.710 18 residues pruned to eliminate duplicates Z: 7 14.843 2.249 1.043 0.407 1.000 0.500 CA 1.453 7 residues pruned to eliminate duplicates Z: 42 36.014 2.200 0.985 0.405 0.878 0.561 CB 1.620 42 residues pruned to eliminate duplicates Z: 49 56.800 2.448 0.941 0.541 0.938 0.542 CB 1.768 49 residues pruned to eliminate duplicates Z: 13 32.405 2.256 0.857 0.893 1.000 0.667 CB 1.603 13 residues pruned to eliminate duplicates Z: 32 29.514 2.277 0.582 0.489 0.903 0.613 CB 1.647 32 residues pruned to eliminate duplicates Z: 15 28.137 2.550 1.109 0.397 0.857 0.571 CB 1.819 15 residues pruned to eliminate duplicates Z: 6 5.888 1.661 0.112 0.437 1.000 1.000 CB 1.520 Z: 6 6.755 1.946 0.756 0.659 0.800 0.600 CB 0.953 Z: 66 58.701 2.413 0.920 0.490 0.923 0.646 CB 1.721 76 residues pruned to eliminate duplicates Z: 26 14.034 2.115 0.735 0.313 0.760 0.440 CB 1.237 26 residues pruned to eliminate duplicates Z: 68 42.168 2.198 0.840 0.405 0.910 0.672 CB 1.546 68 residues pruned to eliminate duplicates Z: 8 4.647 1.793 0.411 0.501 0.714 0.571 CB 0.970 8 residues pruned to eliminate duplicates Z: 64 47.474 2.321 0.924 0.447 0.889 0.698 CB 1.590 70 residues pruned to eliminate duplicates Z: 19 23.440 2.236 0.826 0.416 0.833 0.611 CB 1.772 19 residues pruned to eliminate duplicates Z: 51 49.453 2.323 1.108 0.439 0.900 0.680 CB 1.690 51 residues pruned to eliminate duplicates Z: 13 26.885 2.176 0.909 0.802 0.917 0.667 CB 1.566 13 residues pruned to eliminate duplicates Z: 15 27.815 2.078 0.765 0.881 1.000 0.786 CB 1.468 15 residues pruned to eliminate duplicates Z: 68 41.664 2.337 0.798 0.392 0.851 0.567 CB 1.597 68 residues pruned to eliminate duplicates Z: 20 16.285 2.071 0.442 0.417 0.842 0.579 CA 1.620 20 residues pruned to eliminate duplicates Z: 43 41.318 2.333 0.983 0.450 0.952 0.571 CB 1.523 43 residues pruned to eliminate duplicates Z: 9 28.901 2.635 0.963 0.466 1.000 0.750 CA 2.044 9 residues pruned to eliminate duplicates Z: 74 48.482 2.212 0.897 0.415 0.918 0.575 CB 1.610 74 residues pruned to eliminate duplicates Z: 9 20.587 2.097 0.493 0.825 1.000 0.625 CB 1.754 9 residues pruned to eliminate duplicates Z: 12 21.734 1.856 0.806 0.899 1.000 0.818 CB 1.398 12 residues pruned to eliminate duplicates Z: 19 26.318 2.370 0.952 0.480 0.833 0.722 CB 1.642 19 residues pruned to eliminate duplicates Z: 23 24.300 2.147 0.918 0.401 0.864 0.500 CB 1.617 23 residues pruned to eliminate duplicates Z: 39 28.983 2.147 0.833 0.354 0.895 0.605 CB 1.564 39 residues pruned to eliminate duplicates Z: 8 7.218 1.895 0.479 0.348 0.857 0.571 CB 1.340 Z: 9 6.976 1.679 0.624 0.553 0.875 0.625 N 0.981 Z: 30 35.639 2.452 1.090 0.446 0.862 0.552 CB 1.584 30 residues pruned to eliminate duplicates Z: 48 37.571 2.225 0.622 0.445 0.936 0.638 CB 1.715 48 residues pruned to eliminate duplicates Z: 18 24.258 2.340 1.219 0.382 0.824 0.588 CB 1.559 18 residues pruned to eliminate duplicates Z: 8 6.265 1.586 0.201 0.641 0.857 0.429 CA 1.272 8 residues pruned to eliminate duplicates Z: 15 26.211 2.154 0.363 0.915 1.000 0.929 CB 1.686 15 residues pruned to eliminate duplicates Z: 26 30.066 2.180 0.801 0.639 0.960 0.720 CB 1.401 26 residues pruned to eliminate duplicates Z: 15 11.428 2.073 0.642 0.268 0.786 0.500 CB 1.488 15 residues pruned to eliminate duplicates Z: 50 33.796 2.248 0.852 0.360 0.857 0.633 CB 1.574 50 residues pruned to eliminate duplicates Z: 18 12.613 1.813 0.511 0.449 0.882 0.529 CB 1.333 18 residues pruned to eliminate duplicates Z: 27 25.877 2.249 0.814 0.429 0.846 0.538 CB 1.582 27 residues pruned to eliminate duplicates Z: 6 5.342 1.778 0.363 0.405 0.800 0.600 CA 1.362 6 residues pruned to eliminate duplicates Z: 11 21.823 2.052 0.827 0.782 1.000 0.800 CB 1.436 11 residues pruned to eliminate duplicates Z: 15 19.880 2.235 0.714 0.440 0.857 0.643 CB 1.722 15 residues pruned to eliminate duplicates Z: 13 15.757 2.262 0.841 0.440 0.833 0.583 CB 1.394 13 residues pruned to eliminate duplicates Z: 11 5.156 2.059 0.380 0.311 0.700 0.500 CB 1.011 11 residues pruned to eliminate duplicates Z: 64 50.533 2.332 0.995 0.419 0.905 0.635 CB 1.646 64 residues pruned to eliminate duplicates Z: 21 34.312 2.209 0.872 0.691 0.900 0.750 CA 1.731 21 residues pruned to eliminate duplicates Z: 18 13.637 2.238 0.233 0.344 0.824 0.588 CB 1.726 18 residues pruned to eliminate duplicates Z: 22 29.778 2.324 0.818 0.434 0.857 0.571 CA 1.922 22 residues pruned to eliminate duplicates Z: 49 36.165 2.299 0.641 0.441 0.854 0.604 CB 1.722 49 residues pruned to eliminate duplicates Z: 31 27.915 2.203 0.897 0.403 0.867 0.500 CB 1.559 31 residues pruned to eliminate duplicates Z: 6 5.699 1.928 0.386 0.523 0.800 0.600 CB 1.166 6 residues pruned to eliminate duplicates Z: 48 51.478 2.372 1.019 0.487 0.936 0.532 CB 1.697 48 residues pruned to eliminate duplicates Z: 13 36.841 2.227 1.091 0.898 1.000 0.667 CB 1.633 14 residues pruned to eliminate duplicates Z: 18 15.750 2.195 0.440 0.449 0.824 0.471 CB 1.548 18 residues pruned to eliminate duplicates Z: 51 36.832 2.264 0.687 0.416 0.900 0.640 CB 1.655 51 residues pruned to eliminate duplicates Z: 30 31.959 2.468 0.918 0.455 0.759 0.379 CB 1.731 30 residues pruned to eliminate duplicates Z: 6 3.379 1.649 0.341 0.292 0.800 0.800 CB 1.079 Z: 67 50.119 2.343 0.884 0.421 0.894 0.591 CB 1.698 67 residues pruned to eliminate duplicates Z: 12 31.851 2.480 1.345 0.566 0.909 0.818 CB 1.705 20 residues pruned to eliminate duplicates Z: 12 13.775 1.964 0.631 0.558 0.909 0.727 CA 1.348 12 residues pruned to eliminate duplicates Z: 10 7.032 2.081 0.434 0.340 0.667 0.556 CB 1.403 10 residues pruned to eliminate duplicates Z: 6 7.004 1.443 0.449 0.806 1.000 0.400 O 1.147 6 residues pruned to eliminate duplicates Z: 6 6.878 1.627 0.423 0.704 1.000 0.600 CA 1.103 6 residues pruned to eliminate duplicates Z: 8 3.837 1.355 0.181 0.467 0.857 0.286 CA 1.094 8 residues pruned to eliminate duplicates Z: 7 4.237 1.691 0.495 0.424 0.833 0.500 CB 0.888 7 residues pruned to eliminate duplicates Z: 61 57.736 2.413 0.748 0.583 0.950 0.700 CB 1.719 61 residues pruned to eliminate duplicates Z: 82 54.737 2.306 0.899 0.401 0.901 0.617 CB 1.710 82 residues pruned to eliminate duplicates Z: 13 18.087 2.039 1.164 0.365 0.917 0.750 CB 1.492 13 residues pruned to eliminate duplicates Z: 8 22.803 2.071 1.154 0.759 1.000 1.000 CB 1.535 8 residues pruned to eliminate duplicates Z: 15 17.722 1.935 0.886 0.386 1.000 0.786 CB 1.464 15 residues pruned to eliminate duplicates Z: 7 5.710 1.470 0.787 0.459 0.833 0.667 CA 1.110 7 residues pruned to eliminate duplicates Z: 57 56.975 2.452 0.885 0.536 0.893 0.625 CB 1.780 57 residues pruned to eliminate duplicates Z: 23 24.452 2.210 0.825 0.466 0.864 0.591 CB 1.549 30 residues pruned to eliminate duplicates Z: 54 42.444 2.297 0.833 0.397 0.943 0.585 CB 1.636 54 residues pruned to eliminate duplicates Z: 6 3.949 1.557 0.455 0.457 0.800 0.800 CA 1.018 Z: 35 23.827 2.187 0.759 0.283 0.882 0.588 CB 1.537 35 residues pruned to eliminate duplicates Z: 8 10.015 1.721 0.624 0.676 0.857 0.571 CA 1.343 8 residues pruned to eliminate duplicates Z: 7 3.715 1.962 0.080 0.176 0.833 0.667 CA 1.270 7 residues pruned to eliminate duplicates 7 1.815 1.207 0.324 0.233 0.667 0.500 O 0.949 ? Z: 19 31.915 2.370 1.161 0.481 0.889 0.444 CB 1.685 19 residues pruned to eliminate duplicates Z: 20 36.218 2.309 0.756 0.703 1.000 0.842 CB 1.704 20 residues pruned to eliminate duplicates Z: 10 9.005 1.941 0.045 0.696 0.889 0.444 CB 1.392 10 residues pruned to eliminate duplicates Z: 37 44.196 2.355 0.742 0.558 0.944 0.528 CB 1.797 37 residues pruned to eliminate duplicates Z: 43 39.893 2.293 0.740 0.462 0.929 0.619 CB 1.728 43 residues pruned to eliminate duplicates Z: 10 20.142 2.025 0.501 0.907 1.000 0.556 CB 1.570 10 residues pruned to eliminate duplicates Z: 63 48.593 2.238 0.930 0.463 0.919 0.629 CB 1.613 63 residues pruned to eliminate duplicates Z: 24 31.239 2.307 0.639 0.601 0.957 0.565 CB 1.637 24 residues pruned to eliminate duplicates Z: 74 44.875 2.267 0.855 0.422 0.890 0.712 CB 1.521 74 residues pruned to eliminate duplicates Z: 9 23.501 2.299 0.891 0.816 0.875 0.750 CB 1.660 9 residues pruned to eliminate duplicates Z: 31 38.592 2.323 0.920 0.553 0.933 0.767 CB 1.608 31 residues pruned to eliminate duplicates Z: 11 24.708 1.979 0.851 0.935 1.000 0.600 CB 1.486 11 residues pruned to eliminate duplicates Z: 8 19.411 2.241 1.216 0.677 0.857 0.857 CB 1.465 8 residues pruned to eliminate duplicates Z: 55 50.988 2.419 0.893 0.470 0.926 0.537 CB 1.687 55 residues pruned to eliminate duplicates Z: 32 11.278 1.866 0.606 0.278 0.742 0.484 CB 1.171 32 residues pruned to eliminate duplicates Z: 59 49.715 2.290 0.950 0.457 0.897 0.707 CB 1.703 59 residues pruned to eliminate duplicates Z: 6 7.572 1.685 0.336 0.667 1.000 0.600 CA 1.289 6 residues pruned to eliminate duplicates Z: 13 39.813 2.392 1.241 0.760 0.917 0.750 CB 1.857 13 residues pruned to eliminate duplicates Z: 51 60.830 2.486 0.863 0.569 0.960 0.660 CB 1.810 51 residues pruned to eliminate duplicates Z: 13 40.459 2.445 1.119 0.741 0.917 0.917 CA 1.982 13 residues pruned to eliminate duplicates Z: 16 16.330 1.967 0.472 0.655 0.867 0.667 CA 1.454 16 residues pruned to eliminate duplicates Z: 60 45.249 2.319 0.881 0.415 0.847 0.610 CB 1.741 60 residues pruned to eliminate duplicates Z: 6 4.816 1.392 0.563 0.719 0.800 0.600 CA 1.015 Z: 12 28.080 2.290 1.204 0.483 1.000 0.818 CA 1.708 12 residues pruned to eliminate duplicates Z: 17 28.447 2.370 1.493 0.494 0.812 0.625 CB 1.491 17 residues pruned to eliminate duplicates Z: 16 25.178 2.065 0.529 0.820 1.000 0.867 CA 1.559 16 residues pruned to eliminate duplicates Z: 7 4.007 1.983 0.104 0.218 0.667 0.500 CA 1.562 7 residues pruned to eliminate duplicates Z: 27 37.053 2.274 0.941 0.614 0.923 0.615 CB 1.601 27 residues pruned to eliminate duplicates Z: 49 59.413 2.457 0.940 0.537 0.979 0.646 CB 1.771 49 residues pruned to eliminate duplicates Z: 59 48.964 2.351 0.955 0.423 0.879 0.638 CB 1.724 59 residues pruned to eliminate duplicates Z: 29 25.757 2.156 0.789 0.385 0.893 0.607 CB 1.597 29 residues pruned to eliminate duplicates Z: 8 20.869 2.275 1.103 0.657 1.000 0.857 CB 1.424 8 residues pruned to eliminate duplicates Z: 16 18.624 2.002 0.936 0.613 0.933 0.667 CB 1.194 16 residues pruned to eliminate duplicates Z: 27 33.962 2.373 0.641 0.567 0.962 0.769 CB 1.667 27 residues pruned to eliminate duplicates Z: 10 10.877 2.106 0.472 0.296 0.889 0.444 CA 1.653 10 residues pruned to eliminate duplicates Z: 26 47.528 2.461 0.968 0.641 0.960 0.480 CB 1.791 26 residues pruned to eliminate duplicates Z: 16 27.733 2.173 1.238 0.553 0.933 0.800 CB 1.497 16 residues pruned to eliminate duplicates Z: 15 26.746 2.444 0.697 0.532 0.929 0.857 CA 1.799 15 residues pruned to eliminate duplicates Z: 78 51.042 2.261 0.861 0.460 0.870 0.545 CB 1.654 78 residues pruned to eliminate duplicates Z: 6 2.812 1.452 0.673 0.488 0.600 0.600 CB 0.873 6 residues pruned to eliminate duplicates Z: 15 15.737 2.095 0.826 0.429 0.786 0.500 CB 1.506 15 residues pruned to eliminate duplicates Z: 56 40.523 2.239 0.889 0.389 0.927 0.636 CB 1.567 56 residues pruned to eliminate duplicates Z: 12 28.643 2.214 0.929 0.918 1.000 0.909 CB 1.426 12 residues pruned to eliminate duplicates Z: 17 23.357 2.138 0.481 0.645 0.938 0.812 CB 1.717 17 residues pruned to eliminate duplicates Z: 49 45.931 2.359 0.985 0.432 0.917 0.625 CB 1.657 49 residues pruned to eliminate duplicates Z: 6 3.699 1.617 -0.108 0.660 1.000 0.800 CB 0.989 Z: 28 21.809 2.290 0.594 0.393 0.815 0.444 CB 1.581 28 residues pruned to eliminate duplicates Z: 20 32.520 2.305 0.552 0.689 1.000 0.789 CB 1.754 20 residues pruned to eliminate duplicates Z: 20 17.771 2.283 0.497 0.360 0.895 0.526 CB 1.550 20 residues pruned to eliminate duplicates Z: 40 35.379 2.336 0.793 0.344 0.923 0.487 CB 1.736 40 residues pruned to eliminate duplicates Z: 6 6.587 1.566 0.315 0.686 1.000 0.800 CB 1.206 6 residues pruned to eliminate duplicates Z: 10 21.343 2.081 0.944 0.659 0.889 0.778 CA 1.707 10 residues pruned to eliminate duplicates Z: 25 37.422 2.341 1.044 0.536 0.917 0.750 CB 1.682 25 residues pruned to eliminate duplicates Z: 24 30.405 2.405 0.756 0.480 0.913 0.609 CB 1.677 24 residues pruned to eliminate duplicates Z: 33 38.378 2.285 0.610 0.625 0.938 0.625 CB 1.749 33 residues pruned to eliminate duplicates Z: 7 2.152 1.153 0.846 0.285 0.833 0.333 C 0.631 Z: 18 13.554 2.053 0.574 0.280 0.824 0.471 CB 1.584 18 residues pruned to eliminate duplicates Z: 52 41.245 2.250 0.894 0.451 0.902 0.529 CB 1.580 52 residues pruned to eliminate duplicates Z: 24 21.524 2.097 0.584 0.594 0.826 0.652 CB 1.496 24 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 18 24.904 2.304 0.725 0.419 0.941 0.529 CB 1.756 18 residues pruned to eliminate duplicates Z: 17 25.313 2.432 0.849 0.433 0.812 0.562 CA 1.856 17 residues pruned to eliminate duplicates Z: 18 26.843 2.329 0.769 0.437 0.941 0.647 CB 1.792 18 residues pruned to eliminate duplicates Z: 17 15.555 2.262 0.484 0.389 0.812 0.562 CB 1.603 17 residues pruned to eliminate duplicates Z: 18 21.636 2.396 0.680 0.439 0.824 0.529 CB 1.686 18 residues pruned to eliminate duplicates Z: 16 24.221 2.457 0.849 0.432 0.733 0.600 CA 2.015 16 residues pruned to eliminate duplicates Z: 19 23.467 2.307 0.928 0.426 0.778 0.556 CB 1.727 19 residues pruned to eliminate duplicates Z: 17 23.324 2.446 0.734 0.435 0.812 0.625 CA 1.811 17 residues pruned to eliminate duplicates Z: 16 24.933 2.430 0.773 0.481 0.867 0.733 CA 1.757 16 residues pruned to eliminate duplicates Z: 16 24.091 2.411 0.797 0.471 0.800 0.800 CB 1.849 16 residues pruned to eliminate duplicates Z: 17 23.326 2.410 0.871 0.460 0.750 0.625 CA 1.797 17 residues pruned to eliminate duplicates Z: 25 28.940 2.325 0.759 0.449 0.875 0.500 CB 1.739 25 residues pruned to eliminate duplicates Z: 17 24.902 2.344 0.928 0.480 0.875 0.750 CA 1.606 17 residues pruned to eliminate duplicates Z: 23 31.488 2.516 1.042 0.337 0.864 0.545 CB 1.809 23 residues pruned to eliminate duplicates Z: 78 66.667 2.451 0.860 0.501 0.922 0.662 CB 1.806 78 residues pruned to eliminate duplicates Z: 23 32.627 2.509 1.252 0.384 0.773 0.500 CB 1.801 23 residues pruned to eliminate duplicates Z: 51 46.361 2.400 0.827 0.509 0.900 0.480 CB 1.647 51 residues pruned to eliminate duplicates Z: 58 61.165 2.505 0.964 0.489 0.930 0.579 CB 1.791 58 residues pruned to eliminate duplicates Z: 77 65.450 2.488 0.846 0.494 0.921 0.645 CB 1.785 77 residues pruned to eliminate duplicates Z: 58 63.327 2.514 0.962 0.495 0.930 0.561 CB 1.838 58 residues pruned to eliminate duplicates Z: 51 52.661 2.447 0.851 0.505 0.920 0.560 CB 1.779 51 residues pruned to eliminate duplicates Z: 73 62.049 2.448 0.946 0.501 0.875 0.597 CB 1.752 73 residues pruned to eliminate duplicates Z: 45 39.960 2.378 0.741 0.495 0.864 0.500 CB 1.693 45 residues pruned to eliminate duplicates Z: 26 18.309 2.309 0.829 0.300 0.720 0.480 CB 1.506 26 residues pruned to eliminate duplicates Z: 78 70.204 2.463 0.979 0.522 0.909 0.597 CB 1.767 78 residues pruned to eliminate duplicates Z: 73 63.691 2.408 0.948 0.509 0.931 0.639 CB 1.704 73 residues pruned to eliminate duplicates Z: 51 43.086 2.361 0.737 0.457 0.900 0.480 CB 1.725 51 residues pruned to eliminate duplicates Z: 22 17.160 2.111 0.482 0.396 0.857 0.238 CB 1.557 22 residues pruned to eliminate duplicates Z: 50 50.870 2.421 0.807 0.518 0.918 0.673 CB 1.777 50 residues pruned to eliminate duplicates Z: 21 19.841 2.422 0.781 0.256 0.800 0.250 CB 1.701 21 residues pruned to eliminate duplicates Z: 50 40.036 2.308 0.823 0.442 0.857 0.490 CB 1.684 50 residues pruned to eliminate duplicates Z: 29 37.933 2.358 0.585 0.627 0.929 0.571 CB 1.833 29 residues pruned to eliminate duplicates Z: 46 46.981 2.283 0.888 0.505 0.911 0.533 CB 1.775 46 residues pruned to eliminate duplicates Z: 54 48.755 2.345 0.821 0.510 0.906 0.585 CB 1.715 54 residues pruned to eliminate duplicates Z: 57 59.025 2.450 0.731 0.598 0.964 0.679 CB 1.756 57 residues pruned to eliminate duplicates Z: 71 66.349 2.497 0.902 0.535 0.900 0.657 CB 1.792 71 residues pruned to eliminate duplicates Z: 50 47.672 2.397 0.824 0.497 0.898 0.633 CB 1.740 50 residues pruned to eliminate duplicates Z: 47 38.498 2.343 0.748 0.458 0.826 0.587 CB 1.752 47 residues pruned to eliminate duplicates Z: 58 56.212 2.524 0.812 0.498 0.912 0.632 CB 1.788 58 residues pruned to eliminate duplicates Z: 37 38.438 2.369 0.543 0.573 0.917 0.583 CB 1.781 37 residues pruned to eliminate duplicates Z: 45 43.118 2.425 0.722 0.471 0.909 0.545 CB 1.764 45 residues pruned to eliminate duplicates Z: 77 53.615 2.360 0.814 0.485 0.855 0.526 CB 1.706 77 residues pruned to eliminate duplicates Z: 78 54.342 2.405 0.766 0.484 0.870 0.636 CB 1.702 78 residues pruned to eliminate duplicates Z: 76 62.869 2.441 0.827 0.492 0.920 0.627 CB 1.785 76 residues pruned to eliminate duplicates Z: 57 59.004 2.414 0.798 0.571 0.964 0.643 CB 1.759 57 residues pruned to eliminate duplicates Z: 50 48.835 2.372 0.790 0.542 0.898 0.551 CB 1.756 50 residues pruned to eliminate duplicates Z: 33 37.830 2.325 0.712 0.564 0.969 0.500 CB 1.631 33 residues pruned to eliminate duplicates Z: 66 58.954 2.433 0.788 0.515 0.954 0.662 CB 1.736 66 residues pruned to eliminate duplicates Z: 67 55.419 2.389 0.741 0.511 0.924 0.530 CB 1.755 67 residues pruned to eliminate duplicates Z: 52 48.711 2.390 0.853 0.528 0.843 0.549 CB 1.776 52 residues pruned to eliminate duplicates Z: 36 54.118 2.446 0.930 0.555 1.000 0.543 CB 1.837 36 residues pruned to eliminate duplicates Z: 45 37.146 2.269 0.747 0.454 0.886 0.432 CB 1.671 45 residues pruned to eliminate duplicates Z: 79 71.588 2.458 1.008 0.517 0.910 0.628 CB 1.774 79 residues pruned to eliminate duplicates Z: 56 66.360 2.434 0.952 0.578 0.982 0.709 CB 1.778 56 residues pruned to eliminate duplicates Z: 48 43.094 2.399 0.937 0.487 0.809 0.532 CB 1.696 48 residues pruned to eliminate duplicates Z: 59 46.772 2.414 0.955 0.474 0.828 0.603 CB 1.615 59 residues pruned to eliminate duplicates Z: 61 59.832 2.416 0.960 0.554 0.933 0.550 CB 1.659 61 residues pruned to eliminate duplicates Z: 18 48.493 2.404 1.253 0.802 0.941 0.588 CB 1.772 18 residues pruned to eliminate duplicates Z: 33 36.667 2.362 0.823 0.491 0.938 0.688 CB 1.621 33 residues pruned to eliminate duplicates Z: 40 48.722 2.397 0.923 0.522 0.949 0.564 CB 1.746 40 residues pruned to eliminate duplicates Z: 57 58.404 2.429 0.862 0.568 0.929 0.696 CB 1.739 57 residues pruned to eliminate duplicates Z: 40 40.989 2.420 0.884 0.509 0.872 0.513 CB 1.636 40 residues pruned to eliminate duplicates Z: 57 63.506 2.440 0.937 0.593 0.964 0.679 CB 1.703 57 residues pruned to eliminate duplicates Z: 33 44.759 2.448 0.924 0.496 0.969 0.781 CB 1.740 33 residues pruned to eliminate duplicates Z: 68 50.784 2.402 0.730 0.508 0.866 0.701 CB 1.710 68 residues pruned to eliminate duplicates Z: 58 60.410 2.477 0.994 0.512 0.895 0.632 CB 1.789 58 residues pruned to eliminate duplicates Z: 126 66.048 2.339 0.968 0.404 0.872 0.560 CB 1.628 126 residues pruned to eliminate duplicates Z: 11 25.087 2.329 0.899 0.579 1.000 0.900 CA 1.662 11 residues pruned to eliminate duplicates Z: 11 34.590 2.391 1.289 0.600 1.000 0.900 CB 1.816 11 residues pruned to eliminate duplicates Z: 11 29.292 2.406 1.232 0.548 0.900 0.800 CB 1.829 11 residues pruned to eliminate duplicates Z: 22 24.591 2.191 1.206 0.479 0.857 0.667 CB 1.323 22 residues pruned to eliminate duplicates Z: 12 22.323 2.214 1.207 0.505 0.818 0.727 C 1.675 12 residues pruned to eliminate duplicates Z: 18 19.254 2.019 1.250 0.376 0.882 0.471 CB 1.331 18 residues pruned to eliminate duplicates Z: 17 37.469 2.522 1.253 0.466 0.938 0.688 CB 1.820 17 residues pruned to eliminate duplicates Z: 13 14.299 2.142 0.962 0.502 0.833 0.583 CB 1.177 13 residues pruned to eliminate duplicates Z: 15 21.951 2.059 1.156 0.620 0.857 0.643 CB 1.377 15 residues pruned to eliminate duplicates Z: 10 33.778 2.583 1.154 0.643 1.000 0.667 CB 1.770 10 residues pruned to eliminate duplicates Z: 38 54.592 2.567 1.086 0.548 0.865 0.703 CB 1.850 38 residues pruned to eliminate duplicates Z: 17 40.870 2.597 1.300 0.550 0.938 0.812 CB 1.739 17 residues pruned to eliminate duplicates Z: 35 33.816 2.246 0.824 0.405 0.912 0.647 CB 1.715 35 residues pruned to eliminate duplicates Z: 29 65.102 2.565 1.264 0.627 0.929 0.714 CB 2.025 29 residues pruned to eliminate duplicates Z: 99 67.322 2.379 0.969 0.472 0.878 0.663 CB 1.702 99 residues pruned to eliminate duplicates Z: 62 51.733 2.333 1.047 0.477 0.852 0.541 CB 1.665 62 residues pruned to eliminate duplicates Z: 26 36.845 2.360 0.876 0.545 0.880 0.640 CB 1.810 26 residues pruned to eliminate duplicates Z: 96 75.862 2.403 1.081 0.478 0.895 0.632 CB 1.779 124 residues pruned to eliminate duplicates Z: 6 4.690 1.949 0.614 0.435 0.800 0.600 CB 0.891 6 residues pruned to eliminate duplicates Z: 80 67.127 2.397 0.936 0.493 0.924 0.671 CB 1.773 80 residues pruned to eliminate duplicates Z: 18 41.030 2.480 1.033 0.678 0.882 0.706 CB 1.899 18 residues pruned to eliminate duplicates Z: 15 69.894 2.677 1.366 0.834 1.000 0.857 CB 2.211 15 residues pruned to eliminate duplicates Z: 32 66.663 2.561 1.259 0.644 0.903 0.742 CB 2.003 32 residues pruned to eliminate duplicates Z: 30 35.377 2.378 1.003 0.471 0.897 0.586 CB 1.585 30 residues pruned to eliminate duplicates Z: 17 45.684 2.482 1.333 0.674 0.875 0.688 CB 1.921 17 residues pruned to eliminate duplicates Z: 105 71.055 2.428 1.025 0.448 0.865 0.644 CB 1.727 105 residues pruned to eliminate duplicates Z: 17 58.567 2.624 1.267 0.748 1.000 0.688 CB 1.974 17 residues pruned to eliminate duplicates Z: 18 52.768 2.472 1.314 0.718 0.941 0.765 CA 1.952 18 residues pruned to eliminate duplicates Z: 67 60.561 2.436 1.006 0.471 0.894 0.636 CB 1.757 67 residues pruned to eliminate duplicates Z: 35 57.179 2.445 1.367 0.619 0.853 0.794 CB 1.775 35 residues pruned to eliminate duplicates Z: 48 63.108 2.499 1.121 0.570 0.894 0.574 CB 1.816 48 residues pruned to eliminate duplicates Z: 25 29.341 2.363 0.917 0.430 0.792 0.542 CB 1.796 25 residues pruned to eliminate duplicates Z: 67 59.074 2.389 0.979 0.465 0.924 0.606 CB 1.726 67 residues pruned to eliminate duplicates Z: 53 43.398 2.326 0.970 0.385 0.904 0.577 CB 1.641 53 residues pruned to eliminate duplicates Z: 35 43.198 2.437 0.918 0.495 0.912 0.647 CB 1.748 35 residues pruned to eliminate duplicates Z: 36 43.970 2.443 0.966 0.493 0.914 0.571 CB 1.705 36 residues pruned to eliminate duplicates Z: 43 44.268 2.305 0.857 0.462 0.952 0.690 CB 1.743 43 residues pruned to eliminate duplicates Z: 66 49.248 2.332 0.912 0.399 0.908 0.646 CB 1.680 66 residues pruned to eliminate duplicates Z: 100 71.514 2.420 1.027 0.438 0.919 0.636 CB 1.699 100 residues pruned to eliminate duplicates Z: 82 61.307 2.353 0.985 0.472 0.901 0.654 CB 1.665 82 residues pruned to eliminate duplicates Z: 76 45.018 2.333 0.839 0.368 0.867 0.600 CB 1.611 76 residues pruned to eliminate duplicates Z: 138 75.049 2.381 0.941 0.434 0.898 0.533 CB 1.655 138 residues pruned to eliminate duplicates Z: 55 37.686 2.319 0.870 0.368 0.852 0.611 CB 1.600 55 residues pruned to eliminate duplicates Z: 65 49.010 2.348 0.950 0.395 0.891 0.609 CB 1.680 65 residues pruned to eliminate duplicates Z: 52 42.880 2.322 0.894 0.399 0.922 0.667 CB 1.648 52 residues pruned to eliminate duplicates Z: 51 44.314 2.355 0.919 0.398 0.900 0.580 CB 1.715 51 residues pruned to eliminate duplicates Z: 48 45.421 2.356 0.974 0.428 0.915 0.638 CB 1.678 48 residues pruned to eliminate duplicates Z: 69 48.622 2.372 0.875 0.381 0.897 0.618 CB 1.676 69 residues pruned to eliminate duplicates Z: 77 44.541 2.327 0.767 0.362 0.882 0.553 CB 1.635 77 residues pruned to eliminate duplicates Z: 51 38.556 2.314 0.864 0.378 0.860 0.620 CB 1.674 51 residues pruned to eliminate duplicates Z: 69 58.681 2.405 0.970 0.461 0.897 0.662 CB 1.742 69 residues pruned to eliminate duplicates Z: 161 88.579 2.384 0.918 0.476 0.925 0.631 CB 1.696 161 residues pruned to eliminate duplicates Z: 139 73.362 2.385 0.924 0.448 0.862 0.551 CB 1.665 139 residues pruned to eliminate duplicates Z: 82 57.838 2.369 0.926 0.460 0.889 0.667 CB 1.650 82 residues pruned to eliminate duplicates Z: 86 59.857 2.390 0.936 0.432 0.906 0.588 CB 1.661 86 residues pruned to eliminate duplicates Z: 49 42.878 2.327 0.927 0.404 0.917 0.688 CB 1.665 49 residues pruned to eliminate duplicates Z: 104 69.010 2.405 1.023 0.451 0.893 0.631 CB 1.646 104 residues pruned to eliminate duplicates Z: 117 56.660 2.329 0.747 0.403 0.828 0.526 CB 1.731 117 residues pruned to eliminate duplicates Z: 72 48.625 2.335 0.904 0.375 0.901 0.648 CB 1.646 72 residues pruned to eliminate duplicates Z: 68 61.220 2.390 1.024 0.468 0.910 0.642 CB 1.753 68 residues pruned to eliminate duplicates Z: 71 58.966 2.389 0.963 0.464 0.914 0.700 CB 1.706 71 residues pruned to eliminate duplicates Z: 47 43.320 2.371 0.867 0.434 0.913 0.717 CB 1.692 47 residues pruned to eliminate duplicates Z: 67 49.610 2.384 0.908 0.395 0.879 0.576 CB 1.708 67 residues pruned to eliminate duplicates Z: 73 45.922 2.351 0.894 0.361 0.889 0.611 CB 1.588 73 residues pruned to eliminate duplicates Z: 105 74.536 2.429 1.054 0.443 0.904 0.615 CB 1.719 105 residues pruned to eliminate duplicates Z: 8 7.605 1.599 0.545 0.612 0.857 0.429 CA 1.222 8 residues pruned to eliminate duplicates Z: 64 66.198 2.435 1.140 0.505 0.905 0.683 CB 1.761 64 residues pruned to eliminate duplicates Z: 48 40.173 2.271 0.887 0.400 0.915 0.638 CB 1.660 48 residues pruned to eliminate duplicates Z: 49 42.281 2.349 0.903 0.400 0.875 0.667 CB 1.733 49 residues pruned to eliminate duplicates Z: 47 44.810 2.376 1.035 0.418 0.913 0.587 CB 1.630 47 residues pruned to eliminate duplicates Z: 114 61.419 2.360 0.813 0.409 0.894 0.558 CB 1.661 114 residues pruned to eliminate duplicates Z: 49 43.081 2.332 0.974 0.408 0.917 0.625 CB 1.623 49 residues pruned to eliminate duplicates Z: 47 42.934 2.341 0.954 0.415 0.913 0.630 CB 1.656 47 residues pruned to eliminate duplicates Z: 43 43.942 2.336 0.937 0.453 0.905 0.690 CB 1.738 43 residues pruned to eliminate duplicates Z: 74 47.946 2.393 0.881 0.371 0.863 0.603 CB 1.658 74 residues pruned to eliminate duplicates Z: 53 38.113 2.249 0.893 0.370 0.865 0.577 CB 1.649 53 residues pruned to eliminate duplicates Z: 83 63.231 2.407 1.110 0.445 0.854 0.622 CB 1.704 83 residues pruned to eliminate duplicates Z: 69 64.161 2.408 1.104 0.461 0.912 0.647 CB 1.753 69 residues pruned to eliminate duplicates Z: 50 44.624 2.340 0.934 0.402 0.918 0.571 CB 1.699 50 residues pruned to eliminate duplicates Z: 65 46.113 2.349 1.006 0.404 0.828 0.594 CB 1.634 65 residues pruned to eliminate duplicates Z: 52 44.772 2.371 0.928 0.400 0.902 0.627 CB 1.690 52 residues pruned to eliminate duplicates Z: 88 65.334 2.400 1.006 0.449 0.908 0.621 CB 1.688 88 residues pruned to eliminate duplicates Z: 24 17.915 2.302 0.676 0.279 0.783 0.391 CB 1.588 24 residues pruned to eliminate duplicates Z: 27 17.867 2.298 0.546 0.304 0.808 0.423 CB 1.519 27 residues pruned to eliminate duplicates Z: 71 46.746 2.332 0.906 0.391 0.843 0.586 CB 1.675 71 residues pruned to eliminate duplicates Z: 84 53.211 2.347 1.047 0.379 0.843 0.578 CB 1.640 84 residues pruned to eliminate duplicates Z: 62 51.469 2.336 0.982 0.438 0.869 0.574 CB 1.747 62 residues pruned to eliminate duplicates Z: 18 21.250 2.172 0.723 0.407 0.882 0.471 CB 1.722 18 residues pruned to eliminate duplicates Z: 108 65.564 2.356 0.970 0.428 0.879 0.579 CB 1.674 108 residues pruned to eliminate duplicates Z: 86 69.204 2.428 1.066 0.446 0.918 0.647 CB 1.724 86 residues pruned to eliminate duplicates Z: 21 24.283 2.175 0.860 0.414 0.900 0.550 CB 1.631 21 residues pruned to eliminate duplicates Z: 103 74.748 2.431 1.050 0.459 0.902 0.608 CB 1.716 103 residues pruned to eliminate duplicates Z: 24 20.002 2.306 0.785 0.261 0.870 0.478 CB 1.532 24 residues pruned to eliminate duplicates Z: 21 22.629 2.378 0.884 0.327 0.850 0.550 CB 1.607 21 residues pruned to eliminate duplicates Z: 137 80.316 2.387 1.042 0.443 0.882 0.588 CB 1.698 137 residues pruned to eliminate duplicates Z: 45 31.934 2.256 0.939 0.339 0.818 0.591 CB 1.603 45 residues pruned to eliminate duplicates Z: 99 74.951 2.446 1.114 0.448 0.908 0.582 CB 1.701 99 residues pruned to eliminate duplicates Z: 26 19.190 2.201 0.644 0.292 0.840 0.440 CB 1.595 26 residues pruned to eliminate duplicates Z: 24 21.920 2.348 0.683 0.309 0.913 0.435 CB 1.566 24 residues pruned to eliminate duplicates Z: 105 62.167 2.347 0.819 0.414 0.923 0.635 CB 1.692 105 residues pruned to eliminate duplicates Z: 20 40.555 2.426 0.963 0.660 1.000 0.895 CB 1.684 20 residues pruned to eliminate duplicates Z: 57 69.126 2.429 1.035 0.593 0.982 0.589 CB 1.741 57 residues pruned to eliminate duplicates Z: 32 42.622 2.397 0.963 0.498 0.968 0.645 CB 1.684 32 residues pruned to eliminate duplicates Z: 66 58.394 2.418 0.838 0.518 0.908 0.662 CB 1.764 66 residues pruned to eliminate duplicates Z: 21 34.555 2.410 0.702 0.626 0.950 0.800 CB 1.762 21 residues pruned to eliminate duplicates Z: 60 57.028 2.400 0.866 0.554 0.915 0.610 CB 1.719 60 residues pruned to eliminate duplicates Z: 22 27.367 2.176 0.806 0.603 0.857 0.667 CB 1.608 22 residues pruned to eliminate duplicates Z: 67 58.958 2.414 0.955 0.512 0.894 0.636 CB 1.700 67 residues pruned to eliminate duplicates Z: 32 43.747 2.401 1.054 0.507 0.968 0.677 CB 1.634 32 residues pruned to eliminate duplicates Z: 21 34.897 2.293 0.929 0.635 0.950 0.800 CB 1.636 21 residues pruned to eliminate duplicates Z: 56 63.533 2.461 0.972 0.579 0.927 0.564 CB 1.763 56 residues pruned to eliminate duplicates Z: 16 31.002 2.098 0.728 0.871 1.000 0.800 CB 1.610 16 residues pruned to eliminate duplicates Z: 31 44.083 2.426 1.191 0.525 0.867 0.600 CB 1.705 31 residues pruned to eliminate duplicates Z: 20 33.251 2.366 0.948 0.677 0.895 0.684 CB 1.571 20 residues pruned to eliminate duplicates Z: 15 38.103 2.162 0.995 0.935 1.000 0.786 CB 1.646 15 residues pruned to eliminate duplicates Z: 21 34.476 2.264 1.090 0.653 0.900 0.650 CB 1.570 21 residues pruned to eliminate duplicates Z: 20 38.477 2.381 1.143 0.675 0.895 0.737 CB 1.646 20 residues pruned to eliminate duplicates Z: 15 37.625 2.170 1.019 0.872 1.000 0.786 CB 1.673 14 residues pruned to eliminate duplicates Z: 6 5.394 1.963 0.235 0.240 0.800 0.400 CB 1.682 6 residues pruned to eliminate duplicates Z: 77 45.162 2.247 0.900 0.368 0.895 0.645 CB 1.563 77 residues pruned to eliminate duplicates Z: 23 20.955 2.299 0.715 0.329 0.818 0.500 CB 1.670 23 residues pruned to eliminate duplicates Z: 55 43.872 2.341 0.718 0.473 0.944 0.704 CB 1.616 55 residues pruned to eliminate duplicates Z: 94 53.719 2.291 0.898 0.419 0.849 0.624 CB 1.641 94 residues pruned to eliminate duplicates Z: 74 43.611 2.301 0.809 0.382 0.877 0.616 CB 1.586 74 residues pruned to eliminate duplicates Z: 68 47.984 2.332 0.869 0.390 0.925 0.597 CB 1.633 68 residues pruned to eliminate duplicates Z: 26 15.371 2.199 0.507 0.289 0.840 0.480 CB 1.400 26 residues pruned to eliminate duplicates Z: 40 26.783 2.227 0.722 0.288 0.897 0.615 CB 1.580 40 residues pruned to eliminate duplicates Z: 71 47.238 2.328 0.834 0.396 0.914 0.600 CB 1.615 71 residues pruned to eliminate duplicates Z: 73 43.629 2.275 0.881 0.386 0.861 0.611 CB 1.576 73 residues pruned to eliminate duplicates Z: 88 50.226 2.255 0.905 0.414 0.874 0.563 CB 1.571 88 residues pruned to eliminate duplicates Z: 10 9.379 2.357 0.511 0.243 0.778 0.222 CB 1.520 Z: 6 9.482 1.901 1.413 0.345 0.800 0.800 N 1.367 6 residues pruned to eliminate duplicates Z: 50 56.515 2.456 1.005 0.528 0.878 0.612 CB 1.816 56 residues pruned to eliminate duplicates Z: 22 24.050 2.425 1.049 0.331 0.810 0.381 CB 1.571 22 residues pruned to eliminate duplicates Z: 19 18.347 2.360 0.890 0.144 0.833 0.333 CB 1.807 19 residues pruned to eliminate duplicates Z: 22 27.137 2.327 1.067 0.398 0.857 0.429 CB 1.600 22 residues pruned to eliminate duplicates Z: 92 52.816 2.322 0.707 0.452 0.890 0.560 CB 1.649 92 residues pruned to eliminate duplicates Z: 38 42.693 2.474 0.824 0.513 0.892 0.541 CB 1.722 38 residues pruned to eliminate duplicates Z: 60 50.702 2.438 0.773 0.459 0.898 0.542 CB 1.772 60 residues pruned to eliminate duplicates Z: 11 3.906 2.024 -0.003 0.131 0.700 0.300 CB 1.386 11 residues pruned to eliminate duplicates Z: 136 74.578 2.389 0.844 0.446 0.904 0.585 CB 1.705 136 residues pruned to eliminate duplicates Z: 12 7.001 1.955 0.445 0.220 0.727 0.364 CB 1.426 12 residues pruned to eliminate duplicates Z: 110 69.569 2.378 0.962 0.425 0.899 0.615 CB 1.717 110 residues pruned to eliminate duplicates Z: 23 14.878 2.056 0.790 0.230 0.818 0.500 CB 1.442 23 residues pruned to eliminate duplicates Z: 63 59.026 2.451 0.788 0.531 0.952 0.694 CB 1.744 63 residues pruned to eliminate duplicates Z: 60 53.330 2.490 0.946 0.436 0.881 0.559 CB 1.738 60 residues pruned to eliminate duplicates Z: 44 48.736 2.427 0.927 0.511 0.860 0.488 CB 1.826 44 residues pruned to eliminate duplicates Z: 75 70.024 2.466 0.913 0.512 0.946 0.595 CB 1.803 75 residues pruned to eliminate duplicates Z: 34 44.944 2.400 0.833 0.566 0.909 0.576 CA 1.836 34 residues pruned to eliminate duplicates Z: 52 53.531 2.425 0.894 0.511 0.922 0.529 CB 1.752 52 residues pruned to eliminate duplicates Z: 72 65.092 2.414 0.937 0.536 0.915 0.662 CB 1.742 72 residues pruned to eliminate duplicates Z: 27 31.590 2.361 0.645 0.507 0.923 0.577 CB 1.716 27 residues pruned to eliminate duplicates Z: 53 48.343 2.365 0.872 0.451 0.904 0.538 CB 1.761 53 residues pruned to eliminate duplicates Z: 73 68.539 2.463 0.884 0.524 0.944 0.639 CB 1.800 73 residues pruned to eliminate duplicates Z: 44 53.322 2.432 0.957 0.532 0.907 0.558 CB 1.824 44 residues pruned to eliminate duplicates Z: 34 41.213 2.436 0.757 0.568 0.879 0.485 CB 1.785 34 residues pruned to eliminate duplicates Z: 57 59.313 2.454 0.787 0.579 0.946 0.679 CB 1.769 57 residues pruned to eliminate duplicates Z: 29 51.255 2.447 0.856 0.660 1.000 0.679 CB 1.839 29 residues pruned to eliminate duplicates Z: 64 55.191 2.411 0.744 0.531 0.968 0.651 CB 1.658 64 residues pruned to eliminate duplicates Z: 35 43.864 2.420 0.870 0.582 0.882 0.529 CB 1.740 35 residues pruned to eliminate duplicates Z: 42 42.567 2.394 0.683 0.492 0.902 0.610 CB 1.844 42 residues pruned to eliminate duplicates Z: 141 76.155 2.327 0.926 0.451 0.907 0.614 CB 1.664 141 residues pruned to eliminate duplicates Z: 58 63.574 2.453 0.892 0.576 0.965 0.667 CB 1.747 58 residues pruned to eliminate duplicates Z: 51 61.781 2.427 1.073 0.527 0.920 0.600 CB 1.838 51 residues pruned to eliminate duplicates Z: 52 52.751 2.378 0.970 0.538 0.863 0.588 CB 1.761 52 residues pruned to eliminate duplicates Z: 57 60.984 2.438 0.831 0.597 0.964 0.679 CB 1.727 57 residues pruned to eliminate duplicates Z: 38 44.601 2.384 0.896 0.509 0.919 0.486 CB 1.750 38 residues pruned to eliminate duplicates Z: 66 64.492 2.472 0.910 0.524 0.923 0.600 CB 1.793 66 residues pruned to eliminate duplicates Z: 57 64.100 2.502 0.903 0.585 0.946 0.607 CB 1.751 57 residues pruned to eliminate duplicates Z: 71 68.969 2.512 1.013 0.521 0.914 0.586 CB 1.746 71 residues pruned to eliminate duplicates Z: 37 59.372 2.521 1.045 0.558 0.972 0.500 CB 1.866 37 residues pruned to eliminate duplicates Z: 30 40.495 2.526 0.739 0.527 0.966 0.724 CB 1.726 30 residues pruned to eliminate duplicates Z: 32 38.844 2.417 0.834 0.526 0.968 0.742 CB 1.585 32 residues pruned to eliminate duplicates Z: 55 51.199 2.398 0.871 0.521 0.944 0.667 CB 1.610 55 residues pruned to eliminate duplicates Z: 57 53.096 2.365 0.863 0.547 0.946 0.536 CB 1.624 57 residues pruned to eliminate duplicates Z: 53 46.303 2.471 0.962 0.385 0.904 0.538 CB 1.655 53 residues pruned to eliminate duplicates Z: 15 26.839 2.423 1.144 0.313 0.929 0.571 CB 1.828 15 residues pruned to eliminate duplicates Z: 21 18.590 2.288 1.021 0.259 0.750 0.500 CB 1.579 21 residues pruned to eliminate duplicates Z: 21 29.538 2.310 1.231 0.405 0.900 0.550 CB 1.574 21 residues pruned to eliminate duplicates Z: 66 54.838 2.292 0.917 0.545 0.908 0.631 CB 1.633 66 residues pruned to eliminate duplicates Z: 22 27.583 2.215 0.931 0.487 0.905 0.667 CB 1.577 22 residues pruned to eliminate duplicates Z: 32 39.097 2.173 0.916 0.608 0.935 0.677 CB 1.628 32 residues pruned to eliminate duplicates Z: 20 30.373 2.358 1.100 0.404 0.947 0.684 CB 1.642 20 residues pruned to eliminate duplicates Z: 12 10.260 1.995 0.569 0.519 0.818 0.545 CB 1.185 12 residues pruned to eliminate duplicates Z: 33 43.947 2.221 0.952 0.645 0.969 0.688 CB 1.616 33 residues pruned to eliminate duplicates Z: 12 19.932 2.128 0.982 0.572 1.000 0.727 CB 1.328 12 residues pruned to eliminate duplicates Z: 9 22.828 2.252 1.156 0.577 1.000 0.875 CB 1.544 9 residues pruned to eliminate duplicates Z: 25 24.266 2.133 1.148 0.432 0.792 0.667 CB 1.465 25 residues pruned to eliminate duplicates Z: 30 41.945 2.260 0.985 0.631 0.931 0.828 CB 1.648 30 residues pruned to eliminate duplicates Z: 41 33.635 2.097 0.907 0.551 0.875 0.725 CB 1.446 41 residues pruned to eliminate duplicates Z: 23 29.597 2.139 0.968 0.610 0.818 0.727 CB 1.651 23 residues pruned to eliminate duplicates Z: 30 31.579 2.146 0.935 0.546 0.897 0.690 CB 1.505 30 residues pruned to eliminate duplicates Z: 8 28.081 2.355 1.273 0.589 1.000 0.857 CA 1.820 8 residues pruned to eliminate duplicates Z: 31 32.410 2.191 0.893 0.594 0.867 0.733 CB 1.504 31 residues pruned to eliminate duplicates Z: 31 37.439 2.242 0.846 0.613 0.900 0.767 CB 1.649 31 residues pruned to eliminate duplicates Z: 31 41.467 2.231 0.885 0.601 0.967 0.700 CB 1.691 31 residues pruned to eliminate duplicates Z: 24 26.407 2.057 0.798 0.545 0.913 0.609 CA 1.561 24 residues pruned to eliminate duplicates Z: 32 38.066 2.215 0.855 0.630 0.903 0.710 CB 1.630 32 residues pruned to eliminate duplicates Z: 16 27.595 2.138 0.540 0.782 1.000 0.867 CB 1.688 16 residues pruned to eliminate duplicates Z: 83 54.973 2.295 0.843 0.486 0.902 0.634 CB 1.613 83 residues pruned to eliminate duplicates Z: 15 29.326 2.178 0.603 0.776 1.000 0.857 CA 1.760 15 residues pruned to eliminate duplicates Z: 24 19.605 2.073 0.651 0.530 0.870 0.609 CB 1.333 24 residues pruned to eliminate duplicates Z: 22 26.086 2.157 0.652 0.611 0.857 0.714 CA 1.678 22 residues pruned to eliminate duplicates Z: 68 40.626 2.256 0.578 0.469 0.896 0.552 CB 1.606 68 residues pruned to eliminate duplicates Z: 18 20.082 1.990 0.529 0.659 1.000 0.647 CB 1.381 18 residues pruned to eliminate duplicates Z: 17 23.009 2.075 0.562 0.723 0.938 0.625 CA 1.548 17 residues pruned to eliminate duplicates Z: 22 30.266 2.093 0.992 0.613 0.857 0.667 CB 1.661 22 residues pruned to eliminate duplicates Z: 22 21.078 2.105 0.749 0.454 0.905 0.381 CB 1.448 22 residues pruned to eliminate duplicates Z: 39 35.145 2.175 0.951 0.527 0.842 0.605 CB 1.553 39 residues pruned to eliminate duplicates Z: 85 45.141 2.268 0.710 0.408 0.857 0.631 CB 1.631 95 residues pruned to eliminate duplicates Z: 62 40.464 2.220 0.781 0.401 0.869 0.639 CB 1.674 62 residues pruned to eliminate duplicates Z: 87 49.743 2.268 0.819 0.429 0.860 0.581 CB 1.627 87 residues pruned to eliminate duplicates Z: 78 47.855 2.271 0.766 0.454 0.883 0.623 CB 1.615 78 residues pruned to eliminate duplicates Z: 53 41.735 2.206 0.836 0.436 0.942 0.635 CB 1.620 53 residues pruned to eliminate duplicates Z: 98 57.538 2.249 0.901 0.458 0.897 0.567 CB 1.591 98 residues pruned to eliminate duplicates Z: 66 43.510 2.312 0.802 0.395 0.862 0.569 CB 1.680 66 residues pruned to eliminate duplicates Z: 86 47.854 2.275 0.805 0.426 0.835 0.624 CB 1.635 86 residues pruned to eliminate duplicates Z: 53 39.857 2.310 0.778 0.407 0.923 0.577 CB 1.608 53 residues pruned to eliminate duplicates Z: 55 39.690 2.314 0.799 0.394 0.889 0.574 CB 1.632 55 residues pruned to eliminate duplicates Z: 32 31.491 2.352 0.933 0.440 0.839 0.645 CB 1.578 32 residues pruned to eliminate duplicates Z: 71 43.545 2.301 0.823 0.384 0.871 0.600 CB 1.610 71 residues pruned to eliminate duplicates Z: 83 56.060 2.278 0.935 0.467 0.890 0.585 CB 1.631 83 residues pruned to eliminate duplicates Z: 72 50.602 2.237 0.940 0.459 0.887 0.606 CB 1.627 72 residues pruned to eliminate duplicates Z: 52 42.833 2.318 0.879 0.412 0.902 0.686 CB 1.673 52 residues pruned to eliminate duplicates Z: 110 55.108 2.265 0.825 0.405 0.881 0.615 CB 1.603 110 residues pruned to eliminate duplicates Z: 51 40.172 2.274 0.918 0.424 0.900 0.640 CB 1.566 51 residues pruned to eliminate duplicates Z: 75 47.982 2.270 0.870 0.430 0.865 0.595 CB 1.633 75 residues pruned to eliminate duplicates Z: 56 37.660 2.259 0.874 0.387 0.873 0.655 CB 1.549 56 residues pruned to eliminate duplicates Z: 88 57.800 2.286 0.951 0.468 0.885 0.678 CB 1.621 88 residues pruned to eliminate duplicates Z: 54 42.534 2.288 0.838 0.409 0.943 0.623 CB 1.621 54 residues pruned to eliminate duplicates Z: 68 46.116 2.248 0.921 0.409 0.910 0.597 CB 1.577 68 residues pruned to eliminate duplicates Z: 60 52.106 2.283 1.022 0.518 0.881 0.610 CB 1.638 60 residues pruned to eliminate duplicates Z: 80 56.360 2.250 0.976 0.448 0.924 0.671 CB 1.627 80 residues pruned to eliminate duplicates Z: 96 57.831 2.269 0.925 0.425 0.905 0.589 CB 1.623 96 residues pruned to eliminate duplicates Z: 68 44.382 2.285 0.880 0.399 0.866 0.612 CB 1.622 68 residues pruned to eliminate duplicates Z: 71 45.921 2.336 0.842 0.399 0.871 0.571 CB 1.629 71 residues pruned to eliminate duplicates Z: 103 63.731 2.328 0.925 0.446 0.922 0.667 CB 1.616 103 residues pruned to eliminate duplicates Z: 76 52.164 2.272 0.898 0.472 0.893 0.613 CB 1.609 76 residues pruned to eliminate duplicates Z: 56 36.164 2.215 0.831 0.377 0.855 0.691 CB 1.604 56 residues pruned to eliminate duplicates Z: 51 36.066 2.265 0.828 0.393 0.900 0.660 CB 1.533 51 residues pruned to eliminate duplicates Z: 81 49.923 2.278 0.842 0.414 0.900 0.625 CB 1.617 81 residues pruned to eliminate duplicates Z: 75 48.776 2.267 0.895 0.405 0.932 0.689 CB 1.564 75 residues pruned to eliminate duplicates Z: 85 43.907 2.279 0.763 0.365 0.869 0.583 CB 1.586 85 residues pruned to eliminate duplicates Z: 50 42.222 2.320 0.876 0.396 0.939 0.714 CB 1.648 50 residues pruned to eliminate duplicates Z: 94 55.359 2.292 0.855 0.433 0.882 0.602 CB 1.642 94 residues pruned to eliminate duplicates Z: 49 42.322 2.279 0.930 0.423 0.917 0.646 CB 1.642 49 residues pruned to eliminate duplicates Z: 49 44.628 2.302 0.950 0.428 0.938 0.729 CB 1.649 49 residues pruned to eliminate duplicates Z: 50 39.097 2.336 0.801 0.378 0.918 0.673 CB 1.647 50 residues pruned to eliminate duplicates Z: 53 37.521 2.202 0.841 0.396 0.923 0.635 CB 1.552 53 residues pruned to eliminate duplicates Z: 92 51.470 2.264 0.912 0.404 0.857 0.582 CB 1.609 92 residues pruned to eliminate duplicates Z: 55 39.377 2.291 0.875 0.381 0.907 0.630 CB 1.560 55 residues pruned to eliminate duplicates Z: 67 42.270 2.331 0.815 0.367 0.864 0.667 CB 1.643 67 residues pruned to eliminate duplicates Z: 65 43.264 2.347 0.863 0.394 0.828 0.547 CB 1.670 65 residues pruned to eliminate duplicates Z: 93 58.258 2.309 0.977 0.424 0.870 0.620 CB 1.657 93 residues pruned to eliminate duplicates Z: 78 45.199 2.270 0.882 0.385 0.870 0.623 CB 1.565 78 residues pruned to eliminate duplicates Z: 63 41.888 2.290 0.793 0.401 0.871 0.565 CB 1.652 63 residues pruned to eliminate duplicates Z: 68 41.691 2.295 0.838 0.390 0.851 0.642 CB 1.595 68 residues pruned to eliminate duplicates Z: 83 52.819 2.284 0.918 0.443 0.878 0.622 CB 1.608 83 residues pruned to eliminate duplicates Z: 69 46.409 2.251 0.877 0.440 0.897 0.632 CB 1.579 69 residues pruned to eliminate duplicates Z: 62 39.448 2.286 0.783 0.407 0.836 0.607 CB 1.635 62 residues pruned to eliminate duplicates Z: 67 44.744 2.320 0.905 0.381 0.864 0.591 CB 1.638 67 residues pruned to eliminate duplicates Z: 20 35.551 2.402 0.603 0.701 1.000 0.947 CB 1.764 20 residues pruned to eliminate duplicates Z: 21 35.394 2.244 0.717 0.686 1.000 0.900 CB 1.732 21 residues pruned to eliminate duplicates Z: 32 35.288 2.398 0.713 0.550 0.935 0.677 CB 1.571 32 residues pruned to eliminate duplicates Z: 21 31.129 2.271 0.728 0.661 0.950 0.700 CB 1.608 21 residues pruned to eliminate duplicates Z: 17 24.441 2.200 0.613 0.708 0.938 0.688 CB 1.521 17 residues pruned to eliminate duplicates Z: 31 40.915 2.443 0.855 0.550 0.967 0.700 CB 1.624 31 residues pruned to eliminate duplicates Z: 54 58.844 2.408 1.043 0.556 0.962 0.679 CB 1.616 54 residues pruned to eliminate duplicates Z: 32 38.108 2.381 0.902 0.532 0.968 0.742 CB 1.513 32 residues pruned to eliminate duplicates Z: 20 42.456 2.384 0.975 0.702 1.000 0.789 CB 1.721 18 residues pruned to eliminate duplicates Z: 14 33.121 2.281 0.621 0.919 1.000 1.000 CB 1.750 14 residues pruned to eliminate duplicates Z: 59 58.260 2.414 0.989 0.533 0.931 0.586 CB 1.657 59 residues pruned to eliminate duplicates Z: 21 35.482 2.300 0.946 0.697 0.950 0.800 CB 1.558 21 residues pruned to eliminate duplicates Z: 16 29.690 2.085 0.786 0.897 1.000 0.800 CB 1.473 16 residues pruned to eliminate duplicates Z: 15 34.150 2.098 1.118 0.847 1.000 0.643 CB 1.524 15 residues pruned to eliminate duplicates Z: 21 42.098 2.287 1.171 0.685 1.000 0.800 CB 1.601 21 residues pruned to eliminate duplicates Z: 15 28.001 2.164 0.897 0.870 0.857 0.786 CB 1.553 15 residues pruned to eliminate duplicates Z: 56 59.828 2.405 1.046 0.553 0.964 0.564 CB 1.616 56 residues pruned to eliminate duplicates Z: 82 65.302 2.390 0.975 0.489 0.938 0.556 CB 1.656 82 residues pruned to eliminate duplicates 372 residues left after pruning, divided into chains as follows: A: 178 B: 194 CC for partial structure against native data = 41.44 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.528, Connect. = 0.757 for dens.mod. cycle 1 = 0.300, Contrast = 0.612, Connect. = 0.789 for dens.mod. cycle 2 = 0.300, Contrast = 0.727, Connect. = 0.816 for dens.mod. cycle 3 = 0.300, Contrast = 0.742, Connect. = 0.819 for dens.mod. cycle 4 = 0.300, Contrast = 0.757, Connect. = 0.822 for dens.mod. cycle 5 = 0.300, Contrast = 0.764, Connect. = 0.824 for dens.mod. cycle 6 = 0.300, Contrast = 0.770, Connect. = 0.825 for dens.mod. cycle 7 = 0.300, Contrast = 0.773, Connect. = 0.826 for dens.mod. cycle 8 = 0.300, Contrast = 0.776, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.777, Connect. = 0.827 for dens.mod. cycle 10 TimeTaking 201.48