++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:02:00 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-hancs/2p97-1.6-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2p97-1.6-parrot-hancs/2p97-1.6-parrot-hancs.ins Phases from ./2p97-1.6-parrot-hancs/2p97-1.6-parrot-hancs.phi Native data from ./2p97-1.6-parrot-hancs/2p97-1.6-parrot-hancs.hkl Listing output to ./2p97-1.6-parrot-hancs/2p97-1.6-parrot-hancs.lst Phases output to ./2p97-1.6-parrot-hancs/2p97-1.6-parrot-hancs.phs Poly-Ala trace output to ./2p97-1.6-parrot-hancs/2p97-1.6-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 42 21 2 Allowed origin shift code: 9 68679 Reflections read from file ./2p97-1.6-parrot-hancs/2p97-1.6-parrot-hancs.phi 68679 Reflections read from file ./2p97-1.6-parrot-hancs/2p97-1.6-parrot-hancs.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 = 0.432, Connect. = 0.748 for dens.mod. cycle 1 = 0.300, Contrast = 0.566, Connect. = 0.773 for dens.mod. cycle 2 = 0.300, Contrast = 0.706, Connect. = 0.806 for dens.mod. cycle 3 = 0.300, Contrast = 0.743, Connect. = 0.814 for dens.mod. cycle 4 = 0.300, Contrast = 0.758, Connect. = 0.819 for dens.mod. cycle 5 = 0.300, Contrast = 0.766, Connect. = 0.822 for dens.mod. cycle 6 = 0.300, Contrast = 0.771, Connect. = 0.824 for dens.mod. cycle 7 = 0.300, Contrast = 0.773, Connect. = 0.825 for dens.mod. cycle 8 = 0.300, Contrast = 0.775, Connect. = 0.826 for dens.mod. cycle 9 = 0.300, Contrast = 0.776, Connect. = 0.826 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2467 peaks > 0.5 sigma used to seed fragment search Space for about 560 unique residues taking solvent into account 607 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 98 59.182 2.285 0.977 0.442 0.887 0.588 CB 1.592 B: 19 33.240 2.395 1.322 0.484 0.833 0.667 CB 1.717 C: 36 22.869 2.195 0.876 0.390 0.743 0.429 CB 1.419 36 residues pruned to eliminate duplicates D: 31 30.289 2.277 1.026 0.377 0.800 0.600 CB 1.708 17 residues pruned to eliminate duplicates E: 12 45.460 2.460 1.005 0.926 1.000 1.000 CA 1.949 F: 21 14.811 2.141 0.964 0.263 0.750 0.450 CB 1.377 21 residues pruned to eliminate duplicates G: 33 51.712 2.434 1.216 0.585 0.875 0.656 CB 1.786 32 residues pruned to eliminate duplicates H: 47 52.121 2.436 1.339 0.467 0.848 0.652 CB 1.645 86 residues pruned to eliminate duplicates I: 11 11.757 2.116 0.901 0.419 0.700 0.400 CA 1.436 11 residues pruned to eliminate duplicates J: 50 52.709 2.449 1.029 0.503 0.878 0.653 CB 1.722 49 residues pruned to eliminate duplicates K: 50 44.007 2.313 0.880 0.475 0.918 0.592 CB 1.614 50 residues pruned to eliminate duplicates L: 17 44.593 2.215 1.239 0.880 0.938 0.750 CB 1.737 18 residues pruned to eliminate duplicates M: 15 27.832 2.116 0.510 0.947 1.000 0.929 CB 1.609 N: 8 23.377 2.416 1.158 0.593 0.857 0.714 CA 1.809 O: 16 46.600 2.316 1.143 0.891 1.000 0.733 CA 1.744 P: 6 16.949 2.444 0.498 0.661 1.000 0.800 CB 1.783 Q: 28 29.161 2.297 1.064 0.401 0.852 0.778 CB 1.543 28 residues pruned to eliminate duplicates R: 71 47.716 2.284 0.961 0.382 0.871 0.543 CB 1.656 71 residues pruned to eliminate duplicates S: 12 50.277 2.375 1.372 0.926 1.000 0.727 CB 1.886 12 residues pruned to eliminate duplicates T: 13 38.124 2.195 1.093 0.892 1.000 0.667 CA 1.720 13 residues pruned to eliminate duplicates U: 16 49.249 2.384 1.313 0.869 0.933 0.533 CB 1.806 17 residues pruned to eliminate duplicates V: 11 6.064 2.081 0.745 0.407 0.500 0.400 CB 1.164 11 residues pruned to eliminate duplicates W: 16 28.389 1.999 0.590 0.939 1.000 0.867 CB 1.604 15 residues pruned to eliminate duplicates X: 12 22.131 2.211 1.147 0.586 1.000 0.545 CB 1.294 12 residues pruned to eliminate duplicates Y: 59 49.191 2.310 1.053 0.435 0.914 0.638 CB 1.595 59 residues pruned to eliminate duplicates Z: 17 38.888 2.333 0.855 0.850 0.938 0.688 CB 1.774 17 residues pruned to eliminate duplicates Z: 8 14.307 2.513 0.956 0.333 0.714 0.429 CB 1.849 Z: 28 26.647 2.320 1.069 0.337 0.815 0.519 CB 1.566 11 residues pruned to eliminate duplicates Z: 22 27.839 2.350 1.096 0.337 0.810 0.476 CB 1.821 22 residues pruned to eliminate duplicates Z: 15 26.734 2.113 0.570 0.893 1.000 0.857 CB 1.546 Z: 57 54.138 2.365 0.885 0.587 0.946 0.679 CB 1.577 52 residues pruned to eliminate duplicates Z: 13 41.339 2.265 1.199 0.913 1.000 0.833 CB 1.695 13 residues pruned to eliminate duplicates Z: 17 42.360 2.313 1.079 0.885 0.938 0.688 CB 1.696 17 residues pruned to eliminate duplicates Z: 11 16.919 1.892 1.065 0.456 1.000 0.600 CB 1.433 Z: 15 16.822 2.044 1.253 0.465 0.857 0.786 CB 1.181 15 residues pruned to eliminate duplicates Z: 51 38.592 2.261 0.941 0.429 0.860 0.600 CB 1.556 6 residues pruned to eliminate duplicates Z: 21 27.642 2.406 1.239 0.316 0.800 0.550 CB 1.757 21 residues pruned to eliminate duplicates Z: 7 9.374 2.047 0.520 0.679 1.000 0.667 CB 1.044 Z: 13 42.202 2.235 1.167 0.929 1.000 0.750 CA 1.760 13 residues pruned to eliminate duplicates Z: 19 41.548 2.258 0.949 0.791 1.000 0.778 CB 1.724 19 residues pruned to eliminate duplicates Z: 26 31.597 2.318 1.147 0.379 0.840 0.480 CB 1.720 23 residues pruned to eliminate duplicates Z: 32 40.138 2.354 1.064 0.511 0.935 0.645 CB 1.568 31 residues pruned to eliminate duplicates Z: 16 18.889 2.285 0.660 0.454 0.800 0.800 CB 1.684 17 residues pruned to eliminate duplicates Z: 12 48.672 2.421 1.331 0.924 1.000 0.909 CB 1.826 12 residues pruned to eliminate duplicates Z: 23 24.527 2.266 0.835 0.358 0.909 0.455 CB 1.613 17 residues pruned to eliminate duplicates Z: 14 28.230 2.223 0.626 0.907 1.000 0.846 CB 1.540 14 residues pruned to eliminate duplicates Z: 74 59.740 2.367 1.059 0.492 0.932 0.562 CB 1.553 53 residues pruned to eliminate duplicates Z: 12 51.885 2.477 1.289 0.917 1.000 0.909 CA 1.948 12 residues pruned to eliminate duplicates Z: 17 39.796 2.279 0.825 0.928 0.938 0.812 CB 1.787 17 residues pruned to eliminate duplicates Z: 18 25.863 2.271 0.930 0.441 0.824 0.529 CB 1.847 17 residues pruned to eliminate duplicates Z: 27 30.176 2.385 1.230 0.357 0.808 0.423 CB 1.607 27 residues pruned to eliminate duplicates Z: 89 50.634 2.255 0.888 0.409 0.875 0.614 CB 1.594 96 residues pruned to eliminate duplicates Z: 11 19.990 2.579 0.888 0.386 0.900 0.600 CB 1.627 11 residues pruned to eliminate duplicates Z: 55 58.200 2.390 1.036 0.553 0.981 0.593 CB 1.575 56 residues pruned to eliminate duplicates Z: 35 33.097 2.274 0.861 0.511 0.882 0.647 CB 1.503 35 residues pruned to eliminate duplicates Z: 32 38.380 2.358 0.998 0.538 0.968 0.774 CB 1.457 31 residues pruned to eliminate duplicates Z: 6 9.705 1.977 0.624 0.739 0.800 0.600 C 1.365 6 residues pruned to eliminate duplicates Z: 50 32.006 2.168 0.996 0.337 0.837 0.592 CB 1.508 50 residues pruned to eliminate duplicates Z: 68 48.002 2.292 1.053 0.388 0.896 0.582 CB 1.566 68 residues pruned to eliminate duplicates Z: 14 32.510 2.239 0.701 0.889 1.000 0.692 CB 1.705 15 residues pruned to eliminate duplicates Z: 15 27.212 2.387 1.352 0.451 0.857 0.643 CB 1.589 15 residues pruned to eliminate duplicates Z: 72 48.982 2.290 1.004 0.402 0.887 0.592 CB 1.583 73 residues pruned to eliminate duplicates Z: 16 45.556 2.371 1.002 0.912 1.000 0.800 CA 1.756 16 residues pruned to eliminate duplicates Z: 17 42.139 2.314 1.135 0.857 0.938 0.688 CB 1.676 17 residues pruned to eliminate duplicates Z: 14 32.107 2.152 0.755 0.929 1.000 0.923 CA 1.651 14 residues pruned to eliminate duplicates Z: 69 54.798 2.309 0.952 0.475 0.912 0.676 CB 1.658 69 residues pruned to eliminate duplicates Z: 18 30.368 2.415 1.398 0.490 0.824 0.765 CB 1.559 18 residues pruned to eliminate duplicates Z: 67 59.781 2.399 0.967 0.536 0.939 0.621 CB 1.602 65 residues pruned to eliminate duplicates Z: 18 37.745 2.522 1.234 0.680 0.765 0.706 CB 1.802 18 residues pruned to eliminate duplicates Z: 15 34.680 2.128 0.985 0.910 1.000 0.929 CB 1.556 15 residues pruned to eliminate duplicates Z: 77 60.561 2.388 1.064 0.495 0.855 0.592 CB 1.656 77 residues pruned to eliminate duplicates Z: 16 34.582 2.389 0.570 0.928 0.933 0.867 CA 1.786 16 residues pruned to eliminate duplicates Z: 69 48.467 2.260 1.044 0.408 0.897 0.574 CB 1.562 69 residues pruned to eliminate duplicates Z: 22 31.647 2.201 0.754 0.640 1.000 0.857 CB 1.569 22 residues pruned to eliminate duplicates Z: 14 30.261 2.225 0.847 0.886 1.000 0.846 CB 1.473 14 residues pruned to eliminate duplicates Z: 14 31.009 2.207 0.866 0.903 1.000 1.000 CB 1.489 14 residues pruned to eliminate duplicates Z: 11 23.792 1.936 0.932 0.773 1.000 0.700 CB 1.581 11 residues pruned to eliminate duplicates Z: 76 45.459 2.206 1.045 0.394 0.840 0.573 CB 1.550 76 residues pruned to eliminate duplicates Z: 28 24.960 2.301 0.949 0.314 0.852 0.444 CB 1.546 28 residues pruned to eliminate duplicates Z: 14 32.191 2.234 0.688 0.911 1.000 0.846 CB 1.678 14 residues pruned to eliminate duplicates Z: 16 28.202 2.055 0.694 0.911 1.000 0.867 CB 1.483 16 residues pruned to eliminate duplicates Z: 55 52.359 2.330 1.035 0.552 0.963 0.722 CB 1.484 55 residues pruned to eliminate duplicates Z: 10 23.379 2.125 0.591 0.887 1.000 0.889 CB 1.662 Z: 20 14.515 2.159 0.857 0.345 0.737 0.526 CB 1.334 Z: 88 55.811 2.322 1.076 0.381 0.862 0.575 CB 1.635 88 residues pruned to eliminate duplicates Z: 111 61.039 2.299 0.945 0.425 0.900 0.609 CB 1.562 111 residues pruned to eliminate duplicates Z: 17 32.749 2.280 0.582 0.931 0.938 0.875 CA 1.692 17 residues pruned to eliminate duplicates Z: 8 16.043 2.243 0.836 0.523 0.857 0.571 CB 1.680 8 residues pruned to eliminate duplicates Z: 13 7.193 1.725 0.283 0.454 0.917 0.583 CB 1.073 Z: 19 20.374 2.321 0.824 0.407 0.889 0.444 CB 1.407 19 residues pruned to eliminate duplicates Z: 14 31.233 2.211 0.712 0.910 1.000 0.769 CB 1.623 14 residues pruned to eliminate duplicates Z: 15 26.665 2.139 0.561 0.883 1.000 0.786 CB 1.544 15 residues pruned to eliminate duplicates Z: 13 45.523 2.188 1.403 0.916 1.000 0.917 CA 1.766 13 residues pruned to eliminate duplicates Z: 11 22.685 2.116 0.746 0.816 1.000 0.800 CB 1.476 10 residues pruned to eliminate duplicates Z: 10 20.089 2.102 0.603 0.909 1.000 1.000 CA 1.410 10 residues pruned to eliminate duplicates Z: 85 52.362 2.228 0.956 0.448 0.893 0.619 CB 1.548 74 residues pruned to eliminate duplicates Z: 17 34.372 2.334 0.759 0.891 0.875 0.750 CB 1.719 17 residues pruned to eliminate duplicates Z: 15 28.618 2.104 0.788 0.914 0.929 0.786 CB 1.548 15 residues pruned to eliminate duplicates Z: 8 14.078 1.714 0.775 0.678 1.000 0.571 CA 1.484 8 residues pruned to eliminate duplicates Z: 23 31.494 2.407 1.180 0.367 0.818 0.455 CB 1.804 23 residues pruned to eliminate duplicates Z: 69 47.448 2.256 0.962 0.409 0.912 0.603 CB 1.570 69 residues pruned to eliminate duplicates Z: 28 19.890 1.990 0.556 0.399 0.852 0.481 CB 1.613 11 residues pruned to eliminate duplicates Z: 15 9.891 1.962 0.856 0.385 0.857 0.571 CB 0.956 17 residues pruned to eliminate duplicates Z: 12 18.174 2.420 1.047 0.392 0.909 0.636 CB 1.364 12 residues pruned to eliminate duplicates Z: 14 40.843 2.233 1.091 0.933 1.000 0.846 CB 1.693 14 residues pruned to eliminate duplicates Z: 94 61.437 2.249 1.113 0.482 0.892 0.645 CB 1.530 85 residues pruned to eliminate duplicates Z: 93 55.593 2.316 1.012 0.412 0.859 0.641 CB 1.588 124 residues pruned to eliminate duplicates Z: 17 32.843 2.251 0.615 0.868 0.938 0.812 CB 1.761 17 residues pruned to eliminate duplicates Z: 21 35.468 2.274 1.004 0.648 0.950 0.800 CB 1.597 21 residues pruned to eliminate duplicates Z: 10 21.069 2.422 0.612 0.598 0.889 0.778 CA 1.844 10 residues pruned to eliminate duplicates Z: 16 35.271 2.340 0.628 0.888 1.000 0.867 CA 1.722 16 residues pruned to eliminate duplicates Z: 91 54.590 2.225 1.019 0.452 0.889 0.544 CB 1.515 91 residues pruned to eliminate duplicates Z: 15 29.726 2.108 0.829 0.905 1.000 0.714 CB 1.467 15 residues pruned to eliminate duplicates Z: 30 43.817 2.354 1.001 0.608 0.966 0.621 CB 1.615 30 residues pruned to eliminate duplicates Z: 15 30.252 2.091 0.966 0.855 0.929 0.857 CB 1.564 15 residues pruned to eliminate duplicates Z: 65 42.942 2.220 0.894 0.428 0.875 0.609 CB 1.572 65 residues pruned to eliminate duplicates Z: 59 50.409 2.391 0.978 0.465 0.879 0.569 CB 1.649 59 residues pruned to eliminate duplicates Z: 17 15.377 2.086 0.578 0.410 0.812 0.688 CA 1.579 17 residues pruned to eliminate duplicates Z: 16 23.025 2.270 0.678 0.447 0.867 0.733 CA 1.902 16 residues pruned to eliminate duplicates Z: 17 34.810 2.239 0.734 0.865 0.938 0.812 CA 1.752 17 residues pruned to eliminate duplicates Z: 13 36.511 2.170 1.173 0.876 1.000 0.750 CB 1.625 13 residues pruned to eliminate duplicates Z: 34 28.390 2.257 1.001 0.382 0.848 0.576 CB 1.463 34 residues pruned to eliminate duplicates Z: 15 26.415 2.077 0.657 0.857 0.929 0.786 CB 1.627 15 residues pruned to eliminate duplicates Z: 17 38.323 2.257 0.856 0.893 0.938 0.938 CA 1.751 17 residues pruned to eliminate duplicates Z: 49 35.364 2.228 0.990 0.345 0.896 0.604 CB 1.522 49 residues pruned to eliminate duplicates Z: 61 53.075 2.369 0.906 0.473 0.933 0.617 CB 1.671 61 residues pruned to eliminate duplicates Z: 87 48.268 2.232 0.914 0.387 0.872 0.605 CB 1.576 87 residues pruned to eliminate duplicates Z: 11 11.760 2.157 0.938 0.279 0.800 0.400 CB 1.427 Z: 13 8.717 1.688 0.782 0.424 0.750 0.583 CB 1.208 Z: 16 38.884 2.513 1.471 0.531 0.933 0.867 CB 1.680 16 residues pruned to eliminate duplicates Z: 31 34.699 2.115 0.879 0.614 0.933 0.800 CB 1.534 31 residues pruned to eliminate duplicates Z: 17 17.095 2.285 0.682 0.434 0.750 0.562 CB 1.588 17 residues pruned to eliminate duplicates Z: 76 43.900 2.217 0.950 0.405 0.867 0.613 CB 1.495 76 residues pruned to eliminate duplicates Z: 31 34.538 2.180 0.754 0.600 0.967 0.567 CB 1.550 31 residues pruned to eliminate duplicates Z: 19 21.817 2.299 0.816 0.305 0.889 0.556 CB 1.722 19 residues pruned to eliminate duplicates Z: 90 64.834 2.299 1.124 0.458 0.933 0.629 CB 1.574 90 residues pruned to eliminate duplicates Z: 16 24.192 2.409 0.636 0.499 0.800 0.667 CB 1.983 16 residues pruned to eliminate duplicates Z: 70 47.600 2.281 0.900 0.395 0.913 0.580 CB 1.618 70 residues pruned to eliminate duplicates Z: 29 48.033 2.378 1.057 0.651 0.929 0.643 CB 1.737 29 residues pruned to eliminate duplicates Z: 12 15.801 1.860 0.322 0.899 1.000 0.909 CB 1.385 12 residues pruned to eliminate duplicates Z: 73 45.692 2.282 1.030 0.378 0.875 0.611 CB 1.513 73 residues pruned to eliminate duplicates Z: 90 60.592 2.306 1.029 0.450 0.910 0.596 CB 1.587 90 residues pruned to eliminate duplicates Z: 9 17.147 2.162 1.018 0.530 0.875 0.750 CB 1.542 9 residues pruned to eliminate duplicates Z: 12 42.002 2.317 1.196 0.943 1.000 0.182 CB 1.725 12 residues pruned to eliminate duplicates Z: 53 55.352 2.314 1.173 0.512 0.942 0.558 CB 1.600 53 residues pruned to eliminate duplicates Z: 8 10.347 1.991 1.447 0.396 0.714 0.571 CB 1.255 8 residues pruned to eliminate duplicates Z: 70 54.306 2.308 0.989 0.430 0.913 0.580 CB 1.677 70 residues pruned to eliminate duplicates Z: 69 49.518 2.274 1.008 0.415 0.897 0.618 CB 1.602 69 residues pruned to eliminate duplicates Z: 16 43.840 2.355 1.086 0.905 0.933 0.400 CB 1.757 16 residues pruned to eliminate duplicates Z: 71 49.103 2.277 1.111 0.392 0.871 0.600 CB 1.572 71 residues pruned to eliminate duplicates Z: 20 33.250 2.288 0.782 0.700 1.000 0.632 CB 1.559 20 residues pruned to eliminate duplicates Z: 14 39.102 2.227 0.967 0.949 1.000 1.000 CB 1.709 14 residues pruned to eliminate duplicates Z: 7 5.077 1.705 0.075 0.505 1.000 0.833 CB 1.125 7 residues pruned to eliminate duplicates Z: 6 12.984 2.138 0.976 0.642 0.800 0.800 CA 1.504 6 residues pruned to eliminate duplicates Z: 11 17.791 2.015 0.345 0.899 1.000 0.900 CB 1.484 11 residues pruned to eliminate duplicates Z: 50 45.236 2.259 1.043 0.413 0.939 0.633 CB 1.633 50 residues pruned to eliminate duplicates Z: 66 54.536 2.304 1.117 0.475 0.892 0.600 CB 1.594 66 residues pruned to eliminate duplicates Z: 16 18.962 2.093 0.581 0.503 0.867 0.667 CB 1.701 20 residues pruned to eliminate duplicates Z: 16 42.038 2.292 1.059 0.861 1.000 0.733 CB 1.690 16 residues pruned to eliminate duplicates Z: 17 37.666 2.270 0.984 0.859 0.938 0.750 CB 1.641 17 residues pruned to eliminate duplicates Z: 17 18.361 2.230 0.613 0.394 0.875 0.625 CB 1.631 17 residues pruned to eliminate duplicates Z: 65 57.738 2.393 1.188 0.486 0.875 0.578 CB 1.598 65 residues pruned to eliminate duplicates Z: 16 17.117 2.162 0.765 0.390 0.733 0.667 CA 1.774 16 residues pruned to eliminate duplicates Z: 71 51.322 2.284 1.055 0.445 0.900 0.629 CB 1.536 71 residues pruned to eliminate duplicates Z: 49 43.274 2.252 1.059 0.437 0.917 0.625 CB 1.569 49 residues pruned to eliminate duplicates Z: 15 25.849 2.044 0.819 0.882 1.000 0.571 CB 1.344 15 residues pruned to eliminate duplicates Z: 66 53.338 2.395 0.847 0.536 0.892 0.662 CB 1.617 66 residues pruned to eliminate duplicates Z: 21 23.590 2.199 1.246 0.427 0.800 0.600 CB 1.440 21 residues pruned to eliminate duplicates Z: 15 25.504 2.024 0.714 0.893 1.000 0.786 CB 1.410 15 residues pruned to eliminate duplicates Z: 16 9.380 1.877 0.381 0.486 0.800 0.533 CB 1.185 16 residues pruned to eliminate duplicates Z: 19 25.229 2.208 1.195 0.529 0.889 0.667 CB 1.341 19 residues pruned to eliminate duplicates Z: 74 45.323 2.272 0.997 0.361 0.890 0.575 CB 1.525 74 residues pruned to eliminate duplicates Z: 10 19.132 1.877 0.589 0.845 1.000 0.778 CA 1.589 10 residues pruned to eliminate duplicates Z: 16 31.383 2.051 0.939 0.908 1.000 0.800 CB 1.447 16 residues pruned to eliminate duplicates Z: 15 26.034 1.984 0.706 0.886 1.000 0.786 CB 1.484 14 residues pruned to eliminate duplicates Z: 12 16.868 1.870 0.262 0.916 1.000 0.909 CB 1.522 12 residues pruned to eliminate duplicates Z: 13 8.458 1.718 0.341 0.350 0.833 0.250 CB 1.497 13 residues pruned to eliminate duplicates Z: 24 23.015 2.044 0.824 0.454 0.826 0.609 CB 1.632 Z: 94 48.834 2.175 0.851 0.436 0.903 0.624 CB 1.488 94 residues pruned to eliminate duplicates Z: 17 22.705 2.117 0.365 0.762 0.938 0.812 CB 1.661 17 residues pruned to eliminate duplicates Z: 45 39.821 2.334 0.866 0.473 0.864 0.614 CB 1.640 45 residues pruned to eliminate duplicates Z: 7 9.522 1.681 0.696 0.635 1.000 0.667 CA 1.201 Z: 30 43.198 2.289 0.991 0.656 0.966 0.552 CB 1.578 30 residues pruned to eliminate duplicates Z: 26 46.121 2.379 1.241 0.647 0.920 0.680 CB 1.640 26 residues pruned to eliminate duplicates Z: 6 2.253 1.940 1.133 0.292 0.600 0.600 CB 0.513 6 residues pruned to eliminate duplicates Z: 106 66.128 2.306 1.029 0.450 0.905 0.619 CB 1.606 106 residues pruned to eliminate duplicates Z: 14 25.008 2.179 0.463 0.899 1.000 0.923 CB 1.555 14 residues pruned to eliminate duplicates Z: 7 3.771 1.952 0.015 0.399 0.667 0.667 CA 1.296 7 residues pruned to eliminate duplicates Z: 11 21.374 2.012 0.608 0.891 1.000 0.800 CB 1.502 11 residues pruned to eliminate duplicates Z: 14 27.995 2.193 0.787 0.875 1.000 0.846 CB 1.441 14 residues pruned to eliminate duplicates Z: 90 60.085 2.256 1.055 0.459 0.899 0.685 CB 1.594 90 residues pruned to eliminate duplicates Z: 11 24.733 2.016 0.805 0.927 1.000 0.800 CB 1.506 11 residues pruned to eliminate duplicates Z: 10 25.416 2.277 0.651 0.846 1.000 1.000 CB 1.674 Z: 15 42.352 2.404 1.050 0.945 0.929 0.786 CB 1.712 15 residues pruned to eliminate duplicates Z: 12 35.737 2.270 1.068 0.901 1.000 1.000 CB 1.639 12 residues pruned to eliminate duplicates Z: 10 19.103 2.034 0.464 0.925 1.000 0.889 CB 1.501 10 residues pruned to eliminate duplicates Z: 12 21.130 2.160 0.789 0.638 1.000 0.364 CB 1.448 12 residues pruned to eliminate duplicates Z: 31 40.976 2.426 1.064 0.484 0.933 0.667 CB 1.626 31 residues pruned to eliminate duplicates Z: 6 9.959 1.935 0.391 0.769 1.000 0.600 CA 1.304 6 residues pruned to eliminate duplicates Z: 16 30.199 2.252 0.543 0.900 1.000 0.800 CB 1.604 16 residues pruned to eliminate duplicates Z: 12 21.730 1.888 0.520 0.932 1.000 1.000 CA 1.595 12 residues pruned to eliminate duplicates Z: 74 46.571 2.261 1.004 0.377 0.890 0.603 CB 1.541 115 residues pruned to eliminate duplicates Z: 15 14.873 2.089 0.684 0.472 0.786 0.571 CB 1.479 15 residues pruned to eliminate duplicates Z: 32 22.949 2.285 0.770 0.336 0.806 0.645 CB 1.513 32 residues pruned to eliminate duplicates Z: 12 22.106 1.859 0.740 0.923 1.000 0.727 CB 1.449 12 residues pruned to eliminate duplicates Z: 74 47.542 2.303 0.948 0.385 0.877 0.616 CB 1.598 74 residues pruned to eliminate duplicates Z: 33 40.305 2.310 1.185 0.477 0.906 0.594 CB 1.595 33 residues pruned to eliminate duplicates Z: 17 35.305 2.253 0.800 0.879 0.938 0.750 CA 1.683 17 residues pruned to eliminate duplicates Z: 15 33.417 2.105 1.000 0.891 1.000 0.786 CB 1.524 15 residues pruned to eliminate duplicates Z: 57 52.301 2.307 0.858 0.588 0.929 0.571 CB 1.614 57 residues pruned to eliminate duplicates Z: 9 14.079 2.119 1.119 0.635 0.750 0.500 CB 1.302 9 residues pruned to eliminate duplicates Z: 22 27.173 2.368 0.923 0.442 0.810 0.667 CB 1.707 22 residues pruned to eliminate duplicates Z: 13 24.750 2.430 1.150 0.577 0.833 0.750 CB 1.524 26 residues pruned to eliminate duplicates Z: 14 34.330 2.394 1.369 0.520 1.000 0.615 CB 1.646 14 residues pruned to eliminate duplicates Z: 16 11.940 2.101 0.632 0.360 0.667 0.533 CB 1.568 16 residues pruned to eliminate duplicates Z: 15 29.934 2.065 0.910 0.894 0.929 0.714 CB 1.567 15 residues pruned to eliminate duplicates Z: 79 57.165 2.280 1.051 0.475 0.872 0.692 CB 1.627 79 residues pruned to eliminate duplicates Z: 11 20.381 1.945 0.792 0.882 1.000 0.700 CB 1.337 11 residues pruned to eliminate duplicates Z: 6 5.825 1.906 0.231 0.599 0.800 0.400 CB 1.263 6 residues pruned to eliminate duplicates Z: 16 48.635 2.488 1.063 0.764 1.000 0.867 CA 1.934 16 residues pruned to eliminate duplicates Z: 15 43.144 2.288 1.299 0.879 0.929 0.714 CB 1.712 15 residues pruned to eliminate duplicates Z: 56 45.216 2.337 0.938 0.471 0.855 0.491 CB 1.622 56 residues pruned to eliminate duplicates Z: 25 35.489 2.350 1.155 0.530 0.792 0.667 CB 1.754 25 residues pruned to eliminate duplicates Z: 17 39.496 2.154 1.011 0.871 1.000 0.688 CB 1.662 17 residues pruned to eliminate duplicates Z: 15 29.569 2.065 1.005 0.861 1.000 0.786 CB 1.402 15 residues pruned to eliminate duplicates Z: 49 44.403 2.314 0.905 0.474 0.917 0.583 CB 1.629 49 residues pruned to eliminate duplicates Z: 15 12.619 2.110 0.982 0.345 0.786 0.643 CB 1.215 15 residues pruned to eliminate duplicates Z: 20 11.219 1.994 0.342 0.325 0.789 0.526 CB 1.477 20 residues pruned to eliminate duplicates Z: 19 20.056 2.035 0.996 0.512 0.722 0.611 CB 1.592 19 residues pruned to eliminate duplicates Z: 23 27.962 2.341 0.844 0.447 0.818 0.636 CB 1.783 23 residues pruned to eliminate duplicates Z: 13 19.504 2.250 0.737 0.597 1.000 0.417 CB 1.313 13 residues pruned to eliminate duplicates Z: 54 39.365 2.250 0.914 0.379 0.943 0.623 CB 1.514 54 residues pruned to eliminate duplicates Z: 32 26.931 2.326 0.897 0.359 0.806 0.548 CB 1.583 32 residues pruned to eliminate duplicates Z: 10 5.409 1.946 0.636 0.158 0.778 0.556 CB 1.107 10 residues pruned to eliminate duplicates Z: 17 36.842 2.340 1.549 0.620 0.875 0.875 CB 1.577 17 residues pruned to eliminate duplicates Z: 14 40.540 2.199 1.236 0.939 1.000 0.923 CB 1.590 14 residues pruned to eliminate duplicates Z: 21 31.072 2.358 1.072 0.426 0.850 0.450 CB 1.807 21 residues pruned to eliminate duplicates Z: 7 14.100 2.093 0.786 0.674 0.833 0.667 CB 1.574 7 residues pruned to eliminate duplicates Z: 73 44.427 2.280 0.873 0.401 0.875 0.583 CB 1.555 73 residues pruned to eliminate duplicates Z: 6 5.194 1.666 0.246 0.714 0.800 0.600 CB 1.152 6 residues pruned to eliminate duplicates Z: 31 25.937 2.122 0.781 0.476 0.933 0.600 CB 1.376 31 residues pruned to eliminate duplicates Z: 90 53.485 2.207 1.016 0.465 0.876 0.640 CB 1.506 90 residues pruned to eliminate duplicates Z: 50 38.997 2.197 0.859 0.457 0.918 0.592 CB 1.552 50 residues pruned to eliminate duplicates Z: 23 19.930 2.227 0.863 0.393 0.727 0.545 CB 1.577 23 residues pruned to eliminate duplicates Z: 13 34.495 2.221 1.025 0.901 1.000 0.750 CB 1.581 13 residues pruned to eliminate duplicates Z: 6 11.941 2.138 0.512 0.736 1.000 0.600 CB 1.336 6 residues pruned to eliminate duplicates Z: 7 6.600 1.619 0.565 0.474 0.833 0.667 CB 1.310 7 residues pruned to eliminate duplicates Z: 41 41.189 2.287 0.923 0.528 0.900 0.625 CB 1.601 41 residues pruned to eliminate duplicates Z: 48 39.425 2.269 0.963 0.414 0.894 0.638 CB 1.581 48 residues pruned to eliminate duplicates Z: 11 24.625 1.964 1.024 0.783 1.000 0.800 CA 1.526 11 residues pruned to eliminate duplicates Z: 17 26.938 2.173 0.499 0.783 1.000 0.875 CB 1.613 17 residues pruned to eliminate duplicates Z: 37 37.805 2.274 1.013 0.468 0.917 0.556 CB 1.552 37 residues pruned to eliminate duplicates Z: 28 40.929 2.321 0.819 0.606 0.963 0.741 CB 1.752 28 residues pruned to eliminate duplicates Z: 12 22.628 1.847 0.761 0.910 1.000 0.727 CB 1.487 12 residues pruned to eliminate duplicates Z: 79 60.019 2.349 0.955 0.519 0.897 0.628 CB 1.619 79 residues pruned to eliminate duplicates 6 1.765 1.549 0.059 0.292 1.000 0.800 CB 0.608 ? Z: 98 69.515 2.323 1.060 0.503 0.918 0.670 CB 1.603 98 residues pruned to eliminate duplicates Z: 28 34.491 2.322 0.931 0.596 0.926 0.741 CB 1.459 28 residues pruned to eliminate duplicates Z: 35 48.292 2.391 1.112 0.591 0.882 0.676 CB 1.703 35 residues pruned to eliminate duplicates Z: 45 46.736 2.322 1.048 0.505 0.909 0.545 CB 1.621 45 residues pruned to eliminate duplicates Z: 60 53.398 2.355 0.801 0.565 0.932 0.644 CB 1.650 60 residues pruned to eliminate duplicates Z: 53 50.206 2.333 1.134 0.495 0.885 0.462 CB 1.589 53 residues pruned to eliminate duplicates Z: 7 6.796 1.785 0.709 0.723 1.000 1.000 CB 0.744 Z: 49 47.874 2.257 1.102 0.451 0.938 0.708 CB 1.634 49 residues pruned to eliminate duplicates Z: 51 49.365 2.307 1.004 0.561 0.880 0.720 CB 1.618 51 residues pruned to eliminate duplicates Z: 9 21.134 2.078 0.914 0.890 0.875 0.875 CA 1.544 Z: 11 28.484 2.000 1.049 0.924 1.000 0.900 CB 1.544 11 residues pruned to eliminate duplicates Z: 6 4.771 2.041 0.109 0.572 0.800 0.600 CA 1.099 6 residues pruned to eliminate duplicates Z: 46 41.296 2.285 1.019 0.423 0.911 0.667 CB 1.587 46 residues pruned to eliminate duplicates Z: 28 25.933 2.114 0.959 0.472 0.815 0.556 CB 1.522 28 residues pruned to eliminate duplicates Z: 14 19.390 2.119 1.350 0.366 0.769 0.462 CB 1.621 14 residues pruned to eliminate duplicates Z: 19 18.393 2.088 0.538 0.469 0.944 0.667 CB 1.476 19 residues pruned to eliminate duplicates Z: 37 42.813 2.364 0.837 0.553 0.917 0.694 CB 1.703 37 residues pruned to eliminate duplicates Z: 6 3.391 1.494 0.091 0.451 0.800 0.400 CB 1.224 Z: 12 21.867 1.793 0.746 0.907 1.000 0.909 CB 1.497 12 residues pruned to eliminate duplicates Z: 7 3.717 1.707 0.131 0.564 0.667 0.667 N 1.108 7 residues pruned to eliminate duplicates Z: 9 12.735 2.186 0.611 0.496 1.000 0.625 CA 1.284 9 residues pruned to eliminate duplicates Z: 67 46.290 2.232 0.990 0.422 0.864 0.545 CB 1.610 67 residues pruned to eliminate duplicates Z: 21 19.909 2.005 0.625 0.532 1.000 0.650 CB 1.324 21 residues pruned to eliminate duplicates Z: 19 37.228 2.336 1.083 0.670 0.833 0.778 CB 1.850 19 residues pruned to eliminate duplicates Z: 16 18.704 2.185 0.795 0.411 0.867 0.867 CB 1.560 17 residues pruned to eliminate duplicates Z: 14 28.730 2.412 0.673 0.669 0.923 0.769 CB 1.830 9 residues pruned to eliminate duplicates Z: 7 14.988 2.256 0.718 0.640 0.833 0.500 CA 1.661 7 residues pruned to eliminate duplicates Z: 40 39.575 2.256 1.021 0.440 0.949 0.590 CB 1.558 40 residues pruned to eliminate duplicates Z: 10 14.928 2.086 1.304 0.560 0.778 0.778 CB 1.255 10 residues pruned to eliminate duplicates Z: 8 10.198 1.820 0.534 0.642 0.857 0.286 CB 1.411 8 residues pruned to eliminate duplicates Z: 17 33.606 2.265 1.378 0.664 0.938 0.875 CB 1.429 17 residues pruned to eliminate duplicates Z: 15 26.722 2.163 0.498 0.901 0.929 0.929 CB 1.694 15 residues pruned to eliminate duplicates Z: 7 7.690 1.937 0.256 0.621 0.833 0.667 CB 1.381 7 residues pruned to eliminate duplicates Z: 26 45.982 2.269 1.110 0.620 0.960 0.720 CB 1.787 26 residues pruned to eliminate duplicates Z: 21 22.732 2.266 0.958 0.401 0.850 0.650 CB 1.497 21 residues pruned to eliminate duplicates Z: 9 19.624 2.065 0.544 0.901 1.000 1.000 CB 1.553 9 residues pruned to eliminate duplicates Z: 11 20.673 1.983 0.673 0.917 1.000 0.900 CB 1.391 11 residues pruned to eliminate duplicates Z: 77 57.318 2.285 1.066 0.475 0.895 0.658 CB 1.595 91 residues pruned to eliminate duplicates Z: 11 18.060 2.008 0.316 0.918 1.000 1.000 CB 1.524 11 residues pruned to eliminate duplicates Z: 8 10.761 2.148 0.453 0.461 1.000 0.714 CB 1.356 Z: 7 6.222 1.620 0.787 0.510 0.667 0.667 N 1.302 7 residues pruned to eliminate duplicates Z: 10 30.582 2.193 1.025 0.840 1.000 0.667 CB 1.713 Z: 16 34.750 2.306 0.615 0.887 1.000 0.867 CA 1.737 16 residues pruned to eliminate duplicates Z: 79 61.477 2.310 1.058 0.478 0.910 0.603 CB 1.645 89 residues pruned to eliminate duplicates Z: 125 80.059 2.334 1.100 0.508 0.911 0.605 CB 1.597 105 residues pruned to eliminate duplicates Z: 12 35.774 2.368 1.007 0.946 1.000 0.909 CB 1.570 12 residues pruned to eliminate duplicates Z: 22 18.765 2.297 0.686 0.402 0.762 0.333 CB 1.538 22 residues pruned to eliminate duplicates Z: 65 48.068 2.246 1.046 0.424 0.906 0.578 CB 1.562 65 residues pruned to eliminate duplicates Z: 25 27.980 2.183 1.025 0.433 0.917 0.833 CB 1.511 25 residues pruned to eliminate duplicates Z: 28 18.403 2.005 0.659 0.413 0.852 0.667 CB 1.369 28 residues pruned to eliminate duplicates Z: 49 42.317 2.215 0.855 0.451 0.979 0.667 CB 1.597 49 residues pruned to eliminate duplicates Z: 19 16.317 2.028 1.027 0.335 0.778 0.500 CB 1.441 Z: 7 3.977 1.656 0.246 0.247 0.833 0.500 CB 1.263 Z: 10 14.120 1.864 0.409 0.893 1.000 0.889 CA 1.286 10 residues pruned to eliminate duplicates Z: 10 17.863 1.859 0.580 0.897 1.000 1.000 C 1.450 10 residues pruned to eliminate duplicates Z: 60 46.494 2.234 0.985 0.433 0.932 0.627 CB 1.570 60 residues pruned to eliminate duplicates Z: 12 18.156 1.803 0.456 0.876 1.000 1.000 CB 1.516 12 residues pruned to eliminate duplicates Z: 22 29.393 2.417 1.065 0.362 0.952 0.762 CB 1.565 22 residues pruned to eliminate duplicates Z: 7 9.852 1.860 0.443 0.617 1.000 0.667 CA 1.343 4 residues pruned to eliminate duplicates Z: 17 27.577 2.197 0.562 0.831 0.938 0.750 CB 1.610 17 residues pruned to eliminate duplicates Z: 7 10.065 1.995 0.784 0.345 1.000 0.500 CB 1.367 6 residues pruned to eliminate duplicates Z: 17 8.559 1.791 0.435 0.475 0.875 0.438 CB 0.976 Z: 11 13.340 2.138 1.165 0.287 0.800 0.600 CB 1.448 11 residues pruned to eliminate duplicates Z: 47 45.830 2.261 0.986 0.454 0.957 0.652 CB 1.650 47 residues pruned to eliminate duplicates Z: 10 11.176 1.788 1.242 0.335 0.889 0.778 CB 1.253 10 residues pruned to eliminate duplicates Z: 70 44.014 2.290 0.861 0.393 0.870 0.580 CB 1.601 70 residues pruned to eliminate duplicates Z: 10 15.138 2.203 0.802 0.579 0.778 0.667 CB 1.515 8 residues pruned to eliminate duplicates Z: 8 6.886 2.070 0.764 0.282 0.857 0.429 CB 1.064 16 residues pruned to eliminate duplicates Z: 8 22.744 2.164 1.261 0.637 1.000 0.571 CB 1.546 8 residues pruned to eliminate duplicates Z: 8 17.340 2.217 1.058 0.477 1.000 1.000 CA 1.471 8 residues pruned to eliminate duplicates Z: 20 36.387 2.389 1.392 0.490 0.842 0.526 CB 1.752 20 residues pruned to eliminate duplicates Z: 14 24.511 2.256 1.162 0.433 0.846 0.769 CA 1.766 14 residues pruned to eliminate duplicates Z: 14 26.588 2.188 0.647 0.872 1.000 0.692 CB 1.492 14 residues pruned to eliminate duplicates Z: 60 41.862 2.291 0.895 0.421 0.864 0.593 CB 1.577 60 residues pruned to eliminate duplicates Z: 12 27.194 1.835 1.056 0.930 1.000 0.818 CB 1.520 12 residues pruned to eliminate duplicates Z: 12 22.170 1.862 0.763 0.909 1.000 0.818 CB 1.446 12 residues pruned to eliminate duplicates Z: 16 27.018 2.248 0.533 0.746 1.000 0.933 CB 1.624 16 residues pruned to eliminate duplicates Z: 111 59.737 2.316 1.033 0.373 0.873 0.564 CB 1.587 111 residues pruned to eliminate duplicates Z: 52 44.597 2.229 1.021 0.437 0.941 0.667 CB 1.571 52 residues pruned to eliminate duplicates Z: 25 25.866 2.059 0.953 0.435 0.958 0.792 CB 1.466 25 residues pruned to eliminate duplicates Z: 22 31.466 2.162 0.738 0.671 1.000 0.905 CB 1.561 22 residues pruned to eliminate duplicates Z: 12 24.645 2.295 1.429 0.340 1.000 0.636 CB 1.587 12 residues pruned to eliminate duplicates Z: 70 39.482 2.233 0.905 0.388 0.841 0.594 CB 1.497 95 residues pruned to eliminate duplicates Z: 6 3.062 1.217 0.523 0.439 0.800 0.600 O 0.983 6 residues pruned to eliminate duplicates Z: 8 12.659 2.135 0.639 0.700 0.857 0.714 CB 1.329 9 residues pruned to eliminate duplicates Z: 8 6.544 1.956 0.498 0.268 0.714 0.571 CA 1.538 8 residues pruned to eliminate duplicates Z: 9 8.971 1.969 0.413 0.524 1.000 0.375 CB 1.113 9 residues pruned to eliminate duplicates Z: 6 4.986 1.504 0.769 0.434 1.000 0.800 CB 0.897 6 residues pruned to eliminate duplicates Z: 85 69.355 2.393 1.176 0.524 0.857 0.631 CB 1.656 85 residues pruned to eliminate duplicates Z: 19 29.242 2.308 1.180 0.489 0.778 0.556 CB 1.780 Z: 142 73.201 2.357 0.899 0.452 0.901 0.631 CB 1.606 141 residues pruned to eliminate duplicates Z: 25 33.225 2.164 0.843 0.566 0.958 0.833 CB 1.665 25 residues pruned to eliminate duplicates Z: 28 34.936 2.303 0.871 0.562 0.963 0.704 CB 1.526 28 residues pruned to eliminate duplicates Z: 46 48.865 2.412 1.139 0.493 0.867 0.578 CB 1.639 46 residues pruned to eliminate duplicates Z: 47 32.855 2.154 0.915 0.394 0.870 0.609 CB 1.512 47 residues pruned to eliminate duplicates Z: 7 4.110 1.957 0.539 0.083 0.833 0.333 CA 1.146 7 residues pruned to eliminate duplicates Z: 73 48.683 2.291 1.041 0.391 0.889 0.611 CB 1.550 73 residues pruned to eliminate duplicates Z: 125 79.350 2.299 1.049 0.498 0.927 0.669 CB 1.635 125 residues pruned to eliminate duplicates Z: 63 47.113 2.294 0.990 0.412 0.903 0.581 CB 1.592 63 residues pruned to eliminate duplicates Z: 16 42.914 2.324 1.135 0.882 0.933 0.733 CB 1.732 16 residues pruned to eliminate duplicates Z: 13 19.281 1.676 0.676 0.895 1.000 0.667 CB 1.420 13 residues pruned to eliminate duplicates Z: 16 36.063 2.296 1.367 0.626 0.933 0.667 CB 1.631 16 residues pruned to eliminate duplicates Z: 77 63.534 2.370 1.010 0.511 0.934 0.566 CB 1.620 77 residues pruned to eliminate duplicates Z: 80 48.003 2.203 0.960 0.447 0.861 0.582 CB 1.534 80 residues pruned to eliminate duplicates Z: 66 66.901 2.336 1.218 0.581 0.892 0.677 CB 1.660 78 residues pruned to eliminate duplicates Z: 11 12.095 1.975 0.796 0.277 0.900 0.500 CB 1.541 11 residues pruned to eliminate duplicates Z: 53 43.166 2.321 0.929 0.406 0.885 0.558 CB 1.668 53 residues pruned to eliminate duplicates Z: 74 48.926 2.280 1.083 0.376 0.890 0.562 CB 1.546 74 residues pruned to eliminate duplicates Z: 6 5.387 1.686 0.722 0.487 0.600 0.600 CB 1.401 6 residues pruned to eliminate duplicates Z: 14 26.154 2.064 0.670 0.849 1.000 0.769 CB 1.561 14 residues pruned to eliminate duplicates Z: 13 26.834 2.363 0.903 0.511 1.000 0.750 CB 1.703 13 residues pruned to eliminate duplicates Z: 37 28.931 2.270 0.944 0.386 0.806 0.417 CB 1.531 37 residues pruned to eliminate duplicates Z: 73 42.419 2.223 0.977 0.387 0.847 0.569 CB 1.513 73 residues pruned to eliminate duplicates Z: 23 19.764 2.131 0.675 0.509 0.818 0.591 CB 1.429 23 residues pruned to eliminate duplicates Z: 9 15.114 2.199 1.291 0.480 0.875 0.625 CB 1.238 9 residues pruned to eliminate duplicates Z: 12 17.748 1.951 0.868 0.489 0.909 0.636 C 1.633 12 residues pruned to eliminate duplicates Z: 24 24.047 2.304 0.869 0.340 0.913 0.522 CB 1.518 24 residues pruned to eliminate duplicates Z: 13 22.412 2.278 1.095 0.386 0.917 0.583 CB 1.670 13 residues pruned to eliminate duplicates Z: 6 3.282 1.503 0.049 0.524 1.000 0.600 CB 0.909 Z: 21 22.206 2.330 0.870 0.315 0.950 0.550 CB 1.472 21 residues pruned to eliminate duplicates Z: 26 24.375 2.124 0.801 0.509 0.880 0.720 CB 1.435 26 residues pruned to eliminate duplicates Z: 11 23.256 1.996 0.761 0.925 1.000 0.900 CB 1.469 11 residues pruned to eliminate duplicates Z: 44 38.267 2.278 0.973 0.472 0.930 0.605 CB 1.436 44 residues pruned to eliminate duplicates Z: 24 18.723 2.250 0.679 0.317 0.870 0.565 CB 1.456 24 residues pruned to eliminate duplicates Z: 7 3.460 1.509 0.387 0.237 0.833 0.500 CA 1.099 Z: 32 40.612 2.179 1.059 0.643 0.935 0.871 CB 1.521 32 residues pruned to eliminate duplicates Z: 21 32.795 2.214 0.772 0.660 1.000 0.850 CB 1.611 21 residues pruned to eliminate duplicates Z: 27 30.781 2.379 0.978 0.393 0.846 0.462 CB 1.697 27 residues pruned to eliminate duplicates Z: 6 6.131 1.740 0.581 0.475 0.800 0.800 CA 1.277 6 residues pruned to eliminate duplicates Z: 6 6.406 1.947 0.680 0.562 0.800 0.800 CB 1.031 6 residues pruned to eliminate duplicates Z: 42 40.752 2.183 1.038 0.471 0.927 0.707 CB 1.591 42 residues pruned to eliminate duplicates Z: 7 10.475 1.770 1.199 0.690 1.000 0.833 N 0.924 Z: 18 21.276 2.346 1.284 0.315 0.765 0.588 CB 1.545 18 residues pruned to eliminate duplicates Z: 23 34.140 2.285 1.271 0.546 0.909 0.727 CB 1.475 23 residues pruned to eliminate duplicates Z: 66 54.163 2.328 0.946 0.499 0.923 0.615 CB 1.609 66 residues pruned to eliminate duplicates Z: 15 18.012 2.097 0.978 0.279 0.857 0.643 CA 1.738 15 residues pruned to eliminate duplicates Z: 6 4.045 1.827 0.087 0.435 0.800 0.600 CA 1.217 Z: 40 25.058 2.204 0.819 0.310 0.872 0.462 CB 1.417 40 residues pruned to eliminate duplicates Z: 15 18.711 2.123 0.942 0.491 0.857 0.714 CB 1.428 15 residues pruned to eliminate duplicates Z: 13 37.284 2.183 1.337 0.906 0.917 0.667 CB 1.636 13 residues pruned to eliminate duplicates Z: 15 25.285 2.343 0.929 0.434 1.000 0.429 CB 1.600 15 residues pruned to eliminate duplicates Z: 28 26.605 2.122 0.974 0.425 0.852 0.556 CB 1.552 28 residues pruned to eliminate duplicates Z: 49 45.040 2.277 1.061 0.478 0.917 0.604 CB 1.545 49 residues pruned to eliminate duplicates Z: 6 4.383 1.245 0.599 0.842 1.000 0.600 CB 0.734 6 residues pruned to eliminate duplicates Z: 99 71.635 2.340 1.155 0.474 0.888 0.663 CB 1.659 96 residues pruned to eliminate duplicates Z: 7 3.920 1.796 0.615 0.230 0.667 0.333 CB 1.133 7 residues pruned to eliminate duplicates Z: 22 28.854 2.153 0.910 0.565 0.857 0.667 CB 1.678 22 residues pruned to eliminate duplicates Z: 7 2.840 1.640 0.469 0.083 0.667 0.333 CB 1.238 7 residues pruned to eliminate duplicates Z: 10 4.859 1.605 0.751 0.190 0.778 0.444 N 1.074 4 residues pruned to eliminate duplicates Z: 9 6.040 1.612 0.700 0.388 0.750 0.375 N 1.170 9 residues pruned to eliminate duplicates Z: 6 3.989 1.624 0.185 0.584 0.800 0.800 CB 1.068 6 residues pruned to eliminate duplicates Z: 7 6.113 1.608 0.354 0.492 1.000 0.833 N 1.157 Z: 27 19.321 2.002 0.744 0.344 0.923 0.615 CB 1.393 27 residues pruned to eliminate duplicates Z: 17 33.095 2.226 0.953 0.882 0.875 0.375 CB 1.574 17 residues pruned to eliminate duplicates Z: 13 32.686 2.195 1.307 0.757 0.917 0.833 CA 1.617 13 residues pruned to eliminate duplicates Z: 72 45.960 2.265 1.020 0.381 0.873 0.676 CB 1.550 72 residues pruned to eliminate duplicates Z: 15 20.397 2.263 0.636 0.495 0.857 0.643 CB 1.726 6 residues pruned to eliminate duplicates Z: 14 8.398 2.258 0.541 0.241 0.615 0.385 CB 1.467 14 residues pruned to eliminate duplicates Z: 94 68.500 2.345 1.102 0.464 0.892 0.624 CB 1.675 94 residues pruned to eliminate duplicates Z: 9 4.082 1.528 0.478 0.436 1.000 0.625 CB 0.683 Z: 6 13.352 1.906 1.373 0.870 1.000 1.000 CB 0.964 Z: 19 33.043 2.358 0.967 0.571 1.000 0.611 CB 1.569 19 residues pruned to eliminate duplicates Z: 7 3.110 1.362 0.349 0.244 1.000 0.667 CB 0.929 Z: 68 40.214 2.221 0.914 0.388 0.866 0.582 CB 1.503 68 residues pruned to eliminate duplicates 393 residues left after pruning, divided into chains as follows: A: 6 B: 181 C: 193 D: 13 CC for partial structure against native data = 43.34 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.526, Connect. = 0.763 for dens.mod. cycle 1 = 0.300, Contrast = 0.612, Connect. = 0.793 for dens.mod. cycle 2 = 0.300, Contrast = 0.731, Connect. = 0.819 for dens.mod. cycle 3 = 0.300, Contrast = 0.747, Connect. = 0.822 for dens.mod. cycle 4 = 0.300, Contrast = 0.761, Connect. = 0.824 for dens.mod. cycle 5 = 0.300, Contrast = 0.767, Connect. = 0.825 for dens.mod. cycle 6 = 0.300, Contrast = 0.773, 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) 2559 peaks > 0.5 sigma used to seed fragment search Space for about 560 unique residues taking solvent into account 605 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 75 56.359 2.406 0.927 0.461 0.878 0.541 CB 1.674 B: 23 23.617 2.326 1.070 0.294 0.818 0.455 CB 1.610 23 residues pruned to eliminate duplicates C: 13 32.279 2.288 0.859 0.817 0.917 0.833 CA 1.815 13 residues pruned to eliminate duplicates D: 17 40.942 2.391 1.079 0.888 0.875 0.750 CB 1.696 17 residues pruned to eliminate duplicates E: 13 36.607 2.345 0.960 0.836 0.917 0.917 CA 1.877 13 residues pruned to eliminate duplicates F: 15 27.426 2.168 0.473 0.916 0.929 0.857 CB 1.745 G: 19 33.392 2.344 1.331 0.459 0.889 0.611 CB 1.690 3 residues pruned to eliminate duplicates H: 7 15.549 2.197 1.399 0.526 0.833 0.667 CA 1.409 7 residues pruned to eliminate duplicates I: 16 44.423 2.457 1.029 0.905 0.867 0.667 CB 1.890 18 residues pruned to eliminate duplicates J: 13 36.454 2.267 1.032 0.820 0.917 0.833 CA 1.889 13 residues pruned to eliminate duplicates K: 12 46.936 2.426 1.097 0.927 1.000 1.000 CA 1.950 12 residues pruned to eliminate duplicates L: 16 44.156 2.348 0.865 0.909 1.000 0.733 CA 1.848 16 residues pruned to eliminate duplicates M: 50 43.470 2.309 0.897 0.436 0.918 0.633 CB 1.650 50 residues pruned to eliminate duplicates N: 17 44.925 2.544 1.548 0.533 0.938 0.750 CB 1.788 19 residues pruned to eliminate duplicates O: 39 47.294 2.375 1.114 0.568 0.789 0.684 CB 1.812 39 residues pruned to eliminate duplicates P: 34 28.107 2.276 0.945 0.414 0.848 0.394 CB 1.425 34 residues pruned to eliminate duplicates Q: 13 25.653 2.402 0.272 0.939 1.000 1.000 CB 1.684 13 residues pruned to eliminate duplicates R: 10 15.778 2.080 1.072 0.443 0.778 0.556 CB 1.664 10 residues pruned to eliminate duplicates S: 54 40.119 2.296 0.786 0.402 0.887 0.679 CB 1.681 54 residues pruned to eliminate duplicates T: 7 13.649 2.135 0.566 0.745 1.000 0.833 CA 1.338 U: 12 51.615 2.496 1.251 0.930 1.000 0.909 CB 1.936 12 residues pruned to eliminate duplicates V: 27 34.505 2.493 0.986 0.416 0.846 0.615 CB 1.763 W: 11 13.446 2.028 0.802 0.428 0.800 0.600 CA 1.567 11 residues pruned to eliminate duplicates X: 13 41.542 2.339 1.215 0.844 0.917 0.833 CA 1.879 13 residues pruned to eliminate duplicates Y: 16 44.489 2.407 0.802 0.914 1.000 0.867 CA 1.872 16 residues pruned to eliminate duplicates Z: 14 29.253 2.239 0.547 0.888 1.000 0.923 CB 1.687 Z: 15 31.078 2.137 0.620 0.915 1.000 0.929 CB 1.695 15 residues pruned to eliminate duplicates Z: 14 42.381 2.254 1.067 0.890 1.000 0.846 CB 1.815 14 residues pruned to eliminate duplicates Z: 83 61.461 2.418 0.828 0.481 0.878 0.610 CB 1.782 45 residues pruned to eliminate duplicates Z: 16 39.847 2.399 0.884 0.891 0.933 0.800 CB 1.754 16 residues pruned to eliminate duplicates Z: 8 28.337 2.367 1.360 0.554 1.000 0.857 CB 1.818 Z: 58 48.725 2.385 0.794 0.549 0.877 0.649 CB 1.640 43 residues pruned to eliminate duplicates Z: 13 36.597 2.325 1.046 0.847 0.917 0.833 CB 1.799 13 residues pruned to eliminate duplicates Z: 17 39.895 2.325 0.958 0.880 0.938 0.688 CB 1.694 17 residues pruned to eliminate duplicates Z: 127 69.632 2.316 0.882 0.449 0.881 0.587 CB 1.703 62 residues pruned to eliminate duplicates Z: 17 39.359 2.380 1.011 0.861 0.812 0.688 CB 1.860 17 residues pruned to eliminate duplicates Z: 6 10.220 2.142 0.471 0.742 0.800 0.400 CA 1.459 Z: 13 17.635 2.052 1.214 0.622 1.000 0.750 CB 0.999 13 residues pruned to eliminate duplicates Z: 55 55.929 2.389 0.995 0.538 0.963 0.667 CB 1.597 54 residues pruned to eliminate duplicates Z: 19 18.412 2.209 0.850 0.385 0.722 0.667 CB 1.661 19 residues pruned to eliminate duplicates Z: 31 38.197 2.456 0.758 0.541 0.967 0.733 CB 1.605 31 residues pruned to eliminate duplicates Z: 110 69.777 2.386 0.937 0.443 0.890 0.596 CB 1.723 110 residues pruned to eliminate duplicates Z: 108 67.003 2.314 0.984 0.441 0.916 0.607 CB 1.637 108 residues pruned to eliminate duplicates Z: 15 27.747 2.114 0.635 0.910 1.000 0.857 CB 1.521 15 residues pruned to eliminate duplicates Z: 15 26.480 2.128 0.459 0.881 1.000 0.929 CB 1.651 15 residues pruned to eliminate duplicates Z: 53 58.700 2.447 0.935 0.519 0.923 0.558 CB 1.828 53 residues pruned to eliminate duplicates Z: 31 37.239 2.441 0.767 0.524 0.967 0.700 CB 1.592 31 residues pruned to eliminate duplicates Z: 77 57.448 2.395 0.858 0.468 0.882 0.645 CB 1.736 77 residues pruned to eliminate duplicates Z: 17 44.889 2.330 1.052 0.893 0.938 0.875 CB 1.797 17 residues pruned to eliminate duplicates Z: 17 22.991 2.219 0.898 0.464 0.875 0.750 CA 1.618 Z: 23 37.204 2.598 1.020 0.450 0.955 0.727 CB 1.665 23 residues pruned to eliminate duplicates Z: 76 63.870 2.426 0.883 0.491 0.933 0.613 CB 1.746 76 residues pruned to eliminate duplicates Z: 18 35.247 2.159 1.096 0.895 0.824 0.471 CB 1.643 18 residues pruned to eliminate duplicates Z: 15 15.396 2.233 0.794 0.316 0.714 0.286 CB 1.763 15 residues pruned to eliminate duplicates Z: 79 70.103 2.471 0.965 0.521 0.936 0.667 CB 1.712 79 residues pruned to eliminate duplicates Z: 25 31.108 2.278 0.785 0.493 0.833 0.583 CA 1.887 25 residues pruned to eliminate duplicates Z: 78 63.745 2.464 0.848 0.512 0.909 0.597 CB 1.735 78 residues pruned to eliminate duplicates Z: 22 32.141 2.346 0.725 0.640 0.905 0.762 CB 1.680 22 residues pruned to eliminate duplicates Z: 15 25.537 2.187 0.279 0.911 1.000 0.929 CB 1.729 15 residues pruned to eliminate duplicates Z: 79 70.975 2.495 0.939 0.525 0.910 0.641 CB 1.781 80 residues pruned to eliminate duplicates Z: 9 25.095 2.332 0.554 0.832 1.000 0.875 CB 1.838 9 residues pruned to eliminate duplicates Z: 13 30.763 2.381 0.534 0.941 1.000 0.917 CB 1.687 14 residues pruned to eliminate duplicates Z: 16 22.699 2.355 0.863 0.537 0.733 0.667 CA 1.756 16 residues pruned to eliminate duplicates Z: 14 25.105 2.191 0.788 0.835 0.846 0.769 CB 1.573 14 residues pruned to eliminate duplicates Z: 20 15.899 2.321 0.664 0.333 0.737 0.579 CB 1.539 Z: 103 75.814 2.410 1.152 0.461 0.863 0.647 CB 1.747 100 residues pruned to eliminate duplicates Z: 21 19.779 2.075 0.909 0.351 0.850 0.450 CB 1.544 20 residues pruned to eliminate duplicates Z: 15 28.550 2.150 0.503 0.901 1.000 0.786 CB 1.685 15 residues pruned to eliminate duplicates Z: 17 41.798 2.260 0.832 0.917 1.000 0.812 CA 1.782 17 residues pruned to eliminate duplicates Z: 10 14.861 1.957 0.146 0.898 1.000 1.000 CA 1.579 Z: 14 34.407 2.226 0.843 0.918 1.000 0.769 CB 1.640 14 residues pruned to eliminate duplicates Z: 10 21.530 2.007 0.711 0.855 0.889 0.778 CB 1.735 10 residues pruned to eliminate duplicates Z: 7 21.535 2.319 1.097 0.635 1.000 0.667 CA 1.593 7 residues pruned to eliminate duplicates Z: 13 45.047 2.280 1.270 0.906 1.000 0.833 CA 1.786 13 residues pruned to eliminate duplicates Z: 89 67.336 2.396 1.004 0.458 0.909 0.659 CB 1.716 120 residues pruned to eliminate duplicates Z: 9 21.141 2.163 0.499 0.871 1.000 0.875 CB 1.682 Z: 141 69.651 2.345 0.815 0.431 0.893 0.629 CB 1.663 150 residues pruned to eliminate duplicates Z: 19 31.955 2.353 1.190 0.489 0.833 0.667 CB 1.772 19 residues pruned to eliminate duplicates Z: 51 67.355 2.476 1.204 0.573 0.900 0.680 CB 1.808 51 residues pruned to eliminate duplicates Z: 75 62.442 2.417 0.918 0.491 0.932 0.622 CB 1.696 75 residues pruned to eliminate duplicates Z: 46 36.382 2.282 0.799 0.417 0.933 0.556 CB 1.542 46 residues pruned to eliminate duplicates Z: 25 24.937 2.363 0.813 0.410 0.792 0.625 CB 1.650 29 residues pruned to eliminate duplicates Z: 15 22.714 2.083 0.374 0.910 1.000 0.857 CB 1.505 15 residues pruned to eliminate duplicates Z: 14 29.984 2.261 0.612 0.920 1.000 0.846 CB 1.608 14 residues pruned to eliminate duplicates Z: 81 45.180 2.199 0.736 0.439 0.887 0.588 CB 1.588 68 residues pruned to eliminate duplicates Z: 8 10.559 1.917 0.584 0.696 1.000 0.571 CA 1.098 8 residues pruned to eliminate duplicates Z: 15 31.709 2.154 0.796 0.845 1.000 0.929 CB 1.629 15 residues pruned to eliminate duplicates Z: 71 47.062 2.304 0.870 0.397 0.914 0.643 CB 1.592 71 residues pruned to eliminate duplicates Z: 83 49.491 2.284 0.867 0.409 0.878 0.610 CB 1.605 83 residues pruned to eliminate duplicates Z: 6 13.662 2.095 0.565 0.713 1.000 1.000 CA 1.536 6 residues pruned to eliminate duplicates Z: 17 35.479 2.343 0.744 0.839 0.938 0.750 CB 1.729 17 residues pruned to eliminate duplicates Z: 16 42.656 2.373 0.785 0.925 1.000 1.000 CA 1.825 16 residues pruned to eliminate duplicates Z: 13 44.077 2.266 1.337 0.879 1.000 0.833 CA 1.742 13 residues pruned to eliminate duplicates Z: 88 66.380 2.381 1.054 0.447 0.908 0.655 CB 1.692 88 residues pruned to eliminate duplicates Z: 17 32.717 2.400 0.498 0.890 0.875 0.812 CA 1.870 17 residues pruned to eliminate duplicates Z: 8 16.798 1.800 0.745 0.743 1.000 0.714 C 1.627 8 residues pruned to eliminate duplicates Z: 8 7.648 1.865 0.932 0.483 0.571 0.286 CA 1.429 7 residues pruned to eliminate duplicates Z: 15 31.726 2.174 0.735 0.846 1.000 0.929 CB 1.670 15 residues pruned to eliminate duplicates Z: 70 46.873 2.324 0.946 0.394 0.884 0.594 CB 1.578 70 residues pruned to eliminate duplicates Z: 17 29.844 2.192 0.395 0.878 1.000 1.000 CA 1.770 17 residues pruned to eliminate duplicates Z: 13 37.198 2.256 1.036 0.886 1.000 0.833 CA 1.687 13 residues pruned to eliminate duplicates Z: 16 40.201 2.384 0.692 0.893 1.000 0.800 CA 1.848 16 residues pruned to eliminate duplicates Z: 50 44.378 2.286 0.986 0.430 0.918 0.653 CB 1.635 56 residues pruned to eliminate duplicates Z: 15 33.147 2.162 0.779 0.897 1.000 0.714 CB 1.649 15 residues pruned to eliminate duplicates Z: 16 37.555 2.412 0.628 0.908 0.933 0.867 CA 1.880 16 residues pruned to eliminate duplicates Z: 16 36.039 2.111 0.949 0.922 1.000 0.800 CB 1.590 16 residues pruned to eliminate duplicates Z: 58 53.153 2.368 0.754 0.577 0.947 0.719 CB 1.660 58 residues pruned to eliminate duplicates Z: 49 40.267 2.308 0.827 0.410 0.896 0.604 CB 1.690 49 residues pruned to eliminate duplicates Z: 14 30.568 2.233 0.951 0.855 0.923 0.846 CB 1.555 14 residues pruned to eliminate duplicates Z: 7 4.558 1.895 0.615 0.353 1.000 0.333 CB 0.713 7 residues pruned to eliminate duplicates Z: 90 53.854 2.320 1.007 0.397 0.865 0.607 CB 1.580 90 residues pruned to eliminate duplicates Z: 91 54.885 2.235 0.797 0.488 0.911 0.656 CB 1.601 83 residues pruned to eliminate duplicates Z: 16 35.256 2.385 0.559 0.887 0.933 0.733 CB 1.892 16 residues pruned to eliminate duplicates Z: 16 47.721 2.359 1.015 0.909 1.000 0.800 CB 1.840 16 residues pruned to eliminate duplicates Z: 16 41.903 2.334 0.704 0.908 1.000 0.867 CA 1.932 16 residues pruned to eliminate duplicates Z: 15 21.844 2.119 0.206 0.934 1.000 0.929 CB 1.593 15 residues pruned to eliminate duplicates Z: 51 42.752 2.367 0.832 0.504 0.900 0.560 CB 1.544 51 residues pruned to eliminate duplicates Z: 6 9.097 2.291 0.235 0.643 0.800 0.400 CB 1.573 6 residues pruned to eliminate duplicates Z: 78 51.637 2.231 0.936 0.459 0.896 0.623 CB 1.585 78 residues pruned to eliminate duplicates Z: 15 28.577 2.151 0.644 0.897 0.929 0.786 CB 1.665 15 residues pruned to eliminate duplicates Z: 98 47.923 2.220 0.860 0.397 0.876 0.588 CB 1.498 98 residues pruned to eliminate duplicates Z: 17 24.051 2.350 0.762 0.475 0.812 0.688 CB 1.832 17 residues pruned to eliminate duplicates Z: 59 35.220 2.176 0.658 0.446 0.897 0.517 CB 1.511 59 residues pruned to eliminate duplicates Z: 16 28.468 2.374 0.266 0.913 0.933 0.933 CA 1.856 16 residues pruned to eliminate duplicates Z: 31 39.764 2.446 0.772 0.569 0.933 0.767 CB 1.679 31 residues pruned to eliminate duplicates Z: 71 43.847 2.332 0.756 0.379 0.871 0.614 CB 1.669 71 residues pruned to eliminate duplicates Z: 48 37.516 2.266 0.897 0.416 0.872 0.596 CB 1.592 48 residues pruned to eliminate duplicates Z: 80 42.769 2.202 0.878 0.362 0.899 0.582 CB 1.501 80 residues pruned to eliminate duplicates Z: 13 25.578 2.230 1.185 0.600 0.917 0.917 CB 1.503 13 residues pruned to eliminate duplicates Z: 35 37.312 2.319 0.913 0.495 0.824 0.529 CB 1.761 35 residues pruned to eliminate duplicates Z: 18 21.971 2.296 0.756 0.436 0.824 0.529 CA 1.716 17 residues pruned to eliminate duplicates Z: 50 41.748 2.272 0.894 0.425 0.898 0.612 CB 1.668 50 residues pruned to eliminate duplicates Z: 12 19.643 1.987 0.469 0.866 1.000 0.909 CA 1.486 12 residues pruned to eliminate duplicates Z: 69 43.954 2.269 0.867 0.400 0.882 0.676 CB 1.585 69 residues pruned to eliminate duplicates Z: 26 17.284 2.048 0.543 0.325 0.800 0.560 CA 1.658 14 residues pruned to eliminate duplicates Z: 71 46.007 2.300 0.870 0.380 0.914 0.557 CB 1.588 71 residues pruned to eliminate duplicates Z: 11 12.977 2.021 0.157 0.863 0.900 0.700 CB 1.430 11 residues pruned to eliminate duplicates Z: 16 41.721 2.403 0.931 0.919 0.933 0.733 CB 1.753 16 residues pruned to eliminate duplicates Z: 79 65.183 2.483 0.835 0.531 0.897 0.654 CB 1.750 78 residues pruned to eliminate duplicates Z: 37 46.247 2.343 0.948 0.576 0.889 0.722 CB 1.765 37 residues pruned to eliminate duplicates Z: 9 10.079 2.073 0.516 0.393 0.750 0.625 C 1.693 9 residues pruned to eliminate duplicates Z: 73 45.202 2.289 0.850 0.394 0.875 0.639 CB 1.608 73 residues pruned to eliminate duplicates Z: 20 35.091 2.346 0.633 0.706 1.000 0.789 CB 1.742 20 residues pruned to eliminate duplicates Z: 74 48.901 2.279 0.922 0.405 0.918 0.575 CB 1.573 74 residues pruned to eliminate duplicates Z: 60 44.226 2.286 0.874 0.425 0.898 0.627 CB 1.616 60 residues pruned to eliminate duplicates Z: 12 40.487 2.447 1.107 0.944 1.000 0.818 CB 1.639 12 residues pruned to eliminate duplicates Z: 15 28.078 2.084 0.761 0.899 1.000 0.786 CB 1.461 15 residues pruned to eliminate duplicates Z: 9 27.219 2.178 1.320 0.575 1.000 0.875 CB 1.771 9 residues pruned to eliminate duplicates Z: 17 36.766 2.461 0.888 0.674 0.875 0.750 CB 1.927 17 residues pruned to eliminate duplicates Z: 12 18.460 1.890 0.415 0.914 1.000 0.818 CB 1.472 12 residues pruned to eliminate duplicates Z: 12 18.680 1.899 0.455 0.907 1.000 0.818 CB 1.448 12 residues pruned to eliminate duplicates Z: 64 49.193 2.457 0.840 0.440 0.873 0.571 CB 1.670 64 residues pruned to eliminate duplicates Z: 37 25.622 2.236 0.896 0.354 0.806 0.444 CB 1.465 37 residues pruned to eliminate duplicates Z: 75 42.834 2.287 0.847 0.369 0.892 0.581 CB 1.522 75 residues pruned to eliminate duplicates Z: 13 45.611 2.248 1.389 0.934 1.000 0.750 CA 1.710 13 residues pruned to eliminate duplicates Z: 28 14.014 1.848 0.561 0.352 0.778 0.519 CB 1.411 28 residues pruned to eliminate duplicates Z: 18 14.810 2.003 0.748 0.315 0.765 0.529 CB 1.645 16 residues pruned to eliminate duplicates Z: 72 66.561 2.441 0.945 0.500 0.944 0.620 CB 1.762 72 residues pruned to eliminate duplicates Z: 64 48.431 2.285 0.999 0.433 0.873 0.683 CB 1.640 64 residues pruned to eliminate duplicates Z: 9 13.354 2.384 0.521 0.561 0.750 0.625 CB 1.636 9 residues pruned to eliminate duplicates Z: 67 49.187 2.340 0.952 0.409 0.864 0.636 CB 1.689 67 residues pruned to eliminate duplicates Z: 18 17.221 2.082 0.616 0.456 0.824 0.706 CA 1.576 18 residues pruned to eliminate duplicates Z: 25 25.639 2.170 0.951 0.528 0.792 0.583 CB 1.519 25 residues pruned to eliminate duplicates Z: 12 9.565 1.917 0.253 0.474 0.909 0.818 CA 1.356 12 residues pruned to eliminate duplicates Z: 15 12.327 2.018 1.062 0.270 0.786 0.500 CB 1.309 15 residues pruned to eliminate duplicates Z: 10 15.936 1.940 0.535 0.855 0.889 0.889 CA 1.481 10 residues pruned to eliminate duplicates Z: 18 25.823 2.274 1.082 0.487 0.882 0.588 CB 1.518 18 residues pruned to eliminate duplicates Z: 47 46.623 2.284 1.122 0.419 0.913 0.630 CB 1.690 47 residues pruned to eliminate duplicates Z: 20 13.453 1.885 0.693 0.373 0.842 0.526 CB 1.316 19 residues pruned to eliminate duplicates Z: 29 27.528 2.340 1.008 0.331 0.893 0.536 CB 1.493 29 residues pruned to eliminate duplicates Z: 50 41.077 2.257 0.895 0.416 0.939 0.653 CB 1.595 50 residues pruned to eliminate duplicates Z: 37 58.274 2.479 1.443 0.574 0.861 0.667 CB 1.735 37 residues pruned to eliminate duplicates Z: 56 57.251 2.411 0.798 0.562 0.964 0.745 CB 1.740 56 residues pruned to eliminate duplicates Z: 54 44.904 2.295 1.001 0.395 0.887 0.604 CB 1.694 54 residues pruned to eliminate duplicates Z: 65 64.145 2.399 1.064 0.503 0.938 0.672 CB 1.722 65 residues pruned to eliminate duplicates Z: 46 64.176 2.547 1.251 0.531 0.867 0.733 CB 1.868 46 residues pruned to eliminate duplicates Z: 23 21.987 2.083 0.968 0.407 0.818 0.591 CB 1.540 23 residues pruned to eliminate duplicates Z: 7 11.417 1.799 0.390 0.699 1.000 0.500 C 1.554 7 residues pruned to eliminate duplicates Z: 10 17.933 1.896 0.861 0.826 0.889 0.889 CA 1.438 Z: 15 31.188 2.145 0.770 0.845 1.000 0.786 CB 1.633 15 residues pruned to eliminate duplicates Z: 10 5.426 1.620 0.269 0.383 0.778 0.222 N 1.281 10 residues pruned to eliminate duplicates Z: 19 18.507 2.188 0.816 0.423 0.778 0.611 CB 1.529 19 residues pruned to eliminate duplicates Z: 91 56.307 2.265 0.997 0.441 0.889 0.600 CB 1.569 91 residues pruned to eliminate duplicates Z: 36 31.497 2.350 0.878 0.433 0.800 0.571 CB 1.617 36 residues pruned to eliminate duplicates Z: 33 19.266 2.222 0.749 0.299 0.688 0.469 CB 1.596 Z: 12 23.951 1.909 0.715 0.905 1.000 0.909 CB 1.571 12 residues pruned to eliminate duplicates Z: 33 34.662 2.340 0.964 0.470 0.844 0.656 CB 1.629 33 residues pruned to eliminate duplicates Z: 84 48.419 2.273 0.701 0.462 0.892 0.614 CB 1.603 84 residues pruned to eliminate duplicates Z: 20 17.051 1.856 0.567 0.569 0.842 0.632 CB 1.495 20 residues pruned to eliminate duplicates Z: 85 49.093 2.239 0.851 0.447 0.905 0.607 CB 1.508 85 residues pruned to eliminate duplicates Z: 29 25.083 2.096 0.882 0.373 0.929 0.679 CB 1.483 13 residues pruned to eliminate duplicates Z: 114 61.986 2.363 0.827 0.424 0.867 0.593 CB 1.685 114 residues pruned to eliminate duplicates Z: 13 18.876 1.826 0.481 0.882 1.000 0.833 CA 1.458 13 residues pruned to eliminate duplicates Z: 15 18.750 2.171 0.983 0.425 0.857 0.500 CB 1.469 15 residues pruned to eliminate duplicates Z: 78 47.371 2.207 0.841 0.474 0.870 0.662 CB 1.568 78 residues pruned to eliminate duplicates Z: 29 19.446 2.192 0.548 0.313 0.857 0.464 CB 1.554 78 residues pruned to eliminate duplicates Z: 12 21.284 1.881 0.650 0.919 1.000 0.909 CB 1.458 12 residues pruned to eliminate duplicates Z: 22 29.228 2.359 1.092 0.336 0.857 0.619 CB 1.803 22 residues pruned to eliminate duplicates Z: 11 25.722 2.048 0.858 0.796 1.000 0.800 CB 1.649 10 residues pruned to eliminate duplicates Z: 36 29.327 2.281 0.416 0.549 0.886 0.629 CB 1.653 36 residues pruned to eliminate duplicates Z: 16 47.097 2.390 1.027 0.934 1.000 0.800 CB 1.750 16 residues pruned to eliminate duplicates Z: 12 11.729 1.904 0.951 0.421 0.818 0.545 CB 1.263 12 residues pruned to eliminate duplicates Z: 61 40.000 2.204 0.887 0.372 0.933 0.633 CB 1.525 61 residues pruned to eliminate duplicates Z: 7 6.504 1.680 0.822 0.516 0.667 0.667 CA 1.281 7 residues pruned to eliminate duplicates Z: 12 15.789 1.909 0.289 0.873 1.000 0.818 CA 1.409 12 residues pruned to eliminate duplicates Z: 37 31.028 2.408 0.898 0.347 0.833 0.556 CB 1.603 37 residues pruned to eliminate duplicates Z: 7 4.589 1.730 0.337 0.392 0.833 0.333 CB 1.090 7 residues pruned to eliminate duplicates Z: 16 10.631 2.143 0.526 0.266 0.733 0.600 CB 1.495 16 residues pruned to eliminate duplicates Z: 48 41.654 2.376 0.840 0.456 0.872 0.489 CB 1.666 48 residues pruned to eliminate duplicates Z: 13 28.093 2.239 0.463 0.868 1.000 0.917 CB 1.810 13 residues pruned to eliminate duplicates Z: 6 3.658 1.586 0.096 0.664 0.800 0.400 CA 1.011 6 residues pruned to eliminate duplicates Z: 16 35.564 2.359 0.753 0.908 0.867 0.667 CB 1.819 16 residues pruned to eliminate duplicates Z: 18 20.303 2.369 1.127 0.361 0.824 0.529 CB 1.378 18 residues pruned to eliminate duplicates Z: 6 8.482 1.576 0.518 0.817 1.000 0.600 N 1.204 6 residues pruned to eliminate duplicates Z: 71 51.023 2.300 0.925 0.400 0.914 0.643 CB 1.674 71 residues pruned to eliminate duplicates Z: 15 34.499 2.129 0.942 0.913 1.000 0.857 CB 1.578 15 residues pruned to eliminate duplicates Z: 12 21.767 1.905 0.587 0.926 1.000 0.909 CB 1.523 12 residues pruned to eliminate duplicates Z: 10 29.191 2.109 0.897 0.835 1.000 0.667 CB 1.821 10 residues pruned to eliminate duplicates Z: 15 37.124 2.105 1.238 0.891 1.000 0.857 CB 1.514 15 residues pruned to eliminate duplicates Z: 10 19.468 2.232 0.952 0.616 0.889 0.556 CB 1.502 10 residues pruned to eliminate duplicates Z: 76 43.543 2.220 0.909 0.384 0.867 0.600 CB 1.548 76 residues pruned to eliminate duplicates Z: 13 13.608 2.326 0.674 0.165 0.833 0.583 CB 1.820 Z: 30 35.773 2.435 0.963 0.464 0.828 0.517 CB 1.743 30 residues pruned to eliminate duplicates Z: 12 16.393 1.873 0.226 0.914 1.000 1.000 CA 1.523 12 residues pruned to eliminate duplicates Z: 36 32.882 2.277 0.566 0.532 0.943 0.743 CB 1.602 36 residues pruned to eliminate duplicates Z: 11 18.924 2.040 0.327 0.890 1.000 0.900 CB 1.590 11 residues pruned to eliminate duplicates Z: 89 58.281 2.375 0.841 0.438 0.886 0.602 CB 1.710 113 residues pruned to eliminate duplicates Z: 7 9.382 1.921 0.787 0.565 0.833 0.500 CA 1.258 7 residues pruned to eliminate duplicates Z: 15 25.470 2.143 0.721 0.810 0.929 0.643 CB 1.517 15 residues pruned to eliminate duplicates Z: 32 20.394 2.156 0.706 0.311 0.806 0.548 CB 1.524 32 residues pruned to eliminate duplicates Z: 13 36.834 2.322 0.981 0.841 0.917 0.917 CB 1.881 13 residues pruned to eliminate duplicates Z: 16 47.042 2.409 0.912 0.919 1.000 0.800 CA 1.859 16 residues pruned to eliminate duplicates Z: 8 5.631 1.891 0.727 0.554 0.714 0.571 CB 0.865 8 residues pruned to eliminate duplicates Z: 12 16.645 1.865 0.680 0.722 0.909 0.636 CA 1.442 12 residues pruned to eliminate duplicates Z: 12 19.129 1.898 0.435 0.926 1.000 0.909 CB 1.484 12 residues pruned to eliminate duplicates Z: 15 11.812 1.780 0.916 0.296 0.786 0.429 CA 1.479 15 residues pruned to eliminate duplicates Z: 76 50.954 2.308 0.941 0.405 0.893 0.600 CB 1.623 76 residues pruned to eliminate duplicates Z: 24 24.622 2.358 0.940 0.316 0.870 0.478 CB 1.581 Z: 78 69.308 2.457 1.007 0.511 0.909 0.623 CB 1.743 78 residues pruned to eliminate duplicates Z: 17 34.726 2.327 1.355 0.579 0.875 0.750 CB 1.679 17 residues pruned to eliminate duplicates Z: 14 30.331 2.254 0.646 0.920 1.000 0.846 CB 1.597 14 residues pruned to eliminate duplicates Z: 22 34.731 2.183 0.867 0.706 0.905 0.857 CB 1.704 22 residues pruned to eliminate duplicates Z: 10 8.524 1.994 0.474 0.424 0.667 0.667 CA 1.568 10 residues pruned to eliminate duplicates Z: 7 10.704 2.336 0.836 0.346 0.833 0.833 CB 1.446 7 residues pruned to eliminate duplicates Z: 96 52.564 2.251 0.891 0.454 0.884 0.611 CB 1.502 96 residues pruned to eliminate duplicates Z: 14 18.694 1.939 1.107 0.549 1.000 0.769 CB 1.210 14 residues pruned to eliminate duplicates Z: 121 65.063 2.325 0.861 0.457 0.875 0.642 CB 1.639 121 residues pruned to eliminate duplicates Z: 72 60.219 2.407 0.858 0.524 0.930 0.577 CB 1.678 72 residues pruned to eliminate duplicates Z: 15 47.056 2.462 1.073 0.934 0.929 0.857 CB 1.851 15 residues pruned to eliminate duplicates Z: 31 35.378 2.210 1.037 0.495 0.933 0.633 CB 1.545 31 residues pruned to eliminate duplicates Z: 97 62.372 2.294 1.041 0.441 0.885 0.604 CB 1.633 97 residues pruned to eliminate duplicates Z: 14 20.998 2.162 1.149 0.374 1.000 0.615 CB 1.435 14 residues pruned to eliminate duplicates Z: 6 2.604 1.289 0.612 0.442 0.800 0.400 CA 0.743 Z: 28 38.579 2.401 0.700 0.628 0.963 0.852 CB 1.675 28 residues pruned to eliminate duplicates Z: 9 16.379 2.069 1.355 0.511 0.875 0.625 CA 1.343 9 residues pruned to eliminate duplicates Z: 13 38.019 2.460 1.298 0.627 0.917 0.750 CB 1.880 13 residues pruned to eliminate duplicates Z: 6 7.257 2.023 1.238 0.345 0.800 0.600 CB 1.060 6 residues pruned to eliminate duplicates Z: 17 11.354 1.882 0.749 0.214 0.750 0.500 CB 1.609 6 residues pruned to eliminate duplicates Z: 23 47.672 2.454 1.159 0.642 0.955 0.727 CB 1.760 23 residues pruned to eliminate duplicates Z: 11 16.921 1.873 0.398 0.888 1.000 0.600 CB 1.473 Z: 6 3.664 1.906 0.205 0.329 0.600 0.600 N 1.435 6 residues pruned to eliminate duplicates Z: 11 25.966 2.326 1.195 0.509 0.900 0.800 CB 1.771 11 residues pruned to eliminate duplicates Z: 17 27.839 2.220 0.468 0.744 1.000 0.812 CB 1.717 17 residues pruned to eliminate duplicates Z: 141 72.200 2.322 0.888 0.463 0.893 0.564 CB 1.619 141 residues pruned to eliminate duplicates Z: 8 15.575 2.161 0.359 0.783 1.000 0.571 CA 1.563 8 residues pruned to eliminate duplicates Z: 20 13.281 1.976 0.606 0.288 0.842 0.579 CB 1.447 20 residues pruned to eliminate duplicates Z: 67 60.612 2.369 1.083 0.507 0.894 0.636 CB 1.680 78 residues pruned to eliminate duplicates Z: 10 6.593 1.834 0.345 0.408 0.667 0.556 CB 1.471 10 residues pruned to eliminate duplicates Z: 22 16.671 2.206 0.655 0.309 0.762 0.476 CB 1.617 22 residues pruned to eliminate duplicates Z: 18 34.145 2.314 1.361 0.563 0.882 0.706 CB 1.615 18 residues pruned to eliminate duplicates Z: 14 26.822 2.174 0.529 0.930 1.000 0.846 CB 1.564 14 residues pruned to eliminate duplicates Z: 16 31.234 2.295 0.618 0.894 0.933 0.867 CA 1.669 16 residues pruned to eliminate duplicates Z: 15 19.552 2.229 0.652 0.494 0.929 0.429 CB 1.538 15 residues pruned to eliminate duplicates Z: 55 46.279 2.361 0.621 0.544 0.926 0.630 CB 1.702 55 residues pruned to eliminate duplicates Z: 53 49.289 2.396 0.940 0.513 0.885 0.538 CB 1.640 53 residues pruned to eliminate duplicates Z: 15 31.051 2.137 0.973 0.885 0.857 0.786 CB 1.658 15 residues pruned to eliminate duplicates Z: 45 45.769 2.365 0.865 0.521 0.909 0.614 CB 1.685 45 residues pruned to eliminate duplicates Z: 16 17.724 2.119 0.672 0.482 0.867 0.733 CA 1.517 16 residues pruned to eliminate duplicates Z: 16 39.362 2.437 0.770 0.714 1.000 0.667 CA 1.941 16 residues pruned to eliminate duplicates Z: 27 17.670 2.266 0.685 0.306 0.731 0.538 CB 1.542 27 residues pruned to eliminate duplicates Z: 57 48.150 2.253 0.969 0.519 0.911 0.554 CB 1.563 57 residues pruned to eliminate duplicates Z: 46 52.904 2.534 0.874 0.496 0.933 0.622 CB 1.786 46 residues pruned to eliminate duplicates Z: 14 32.710 2.333 1.450 0.644 0.846 0.769 CB 1.639 14 residues pruned to eliminate duplicates Z: 11 22.520 2.312 1.096 0.412 1.000 0.700 CB 1.611 11 residues pruned to eliminate duplicates Z: 69 38.013 2.164 0.866 0.360 0.882 0.618 CB 1.505 69 residues pruned to eliminate duplicates Z: 9 17.802 1.937 0.801 0.653 1.000 0.750 CB 1.564 9 residues pruned to eliminate duplicates Z: 9 15.401 1.750 0.686 0.693 1.000 0.750 N 1.547 9 residues pruned to eliminate duplicates Z: 8 7.674 2.156 0.279 0.280 0.857 0.286 CB 1.572 8 residues pruned to eliminate duplicates Z: 53 42.383 2.243 0.875 0.443 0.942 0.596 CB 1.573 53 residues pruned to eliminate duplicates Z: 7 10.545 2.377 0.625 0.328 0.833 0.333 CB 1.616 7 residues pruned to eliminate duplicates Z: 15 8.529 1.886 0.192 0.420 0.714 0.429 CB 1.543 15 residues pruned to eliminate duplicates Z: 8 11.675 1.993 0.536 0.541 1.000 0.714 CA 1.384 8 residues pruned to eliminate duplicates Z: 7 21.630 2.337 0.997 0.650 1.000 0.333 CA 1.645 7 residues pruned to eliminate duplicates Z: 7 4.955 1.639 0.427 0.250 0.833 0.500 CA 1.384 7 residues pruned to eliminate duplicates Z: 7 7.310 1.801 0.247 0.565 1.000 0.833 CB 1.248 7 residues pruned to eliminate duplicates Z: 11 19.857 1.994 0.502 0.927 1.000 0.800 CB 1.469 11 residues pruned to eliminate duplicates Z: 7 6.663 1.840 0.475 0.516 0.833 0.833 CB 1.184 7 residues pruned to eliminate duplicates Z: 21 18.418 1.961 0.589 0.582 0.850 0.650 CB 1.437 21 residues pruned to eliminate duplicates Z: 77 46.178 2.190 0.688 0.494 0.908 0.618 CB 1.588 77 residues pruned to eliminate duplicates Z: 25 33.291 2.244 0.839 0.638 0.917 0.792 CB 1.578 25 residues pruned to eliminate duplicates Z: 7 5.496 1.575 0.569 0.472 0.667 0.667 CB 1.401 7 residues pruned to eliminate duplicates Z: 16 41.643 2.409 0.689 0.905 1.000 0.933 CA 1.881 16 residues pruned to eliminate duplicates Z: 7 5.848 1.626 0.615 0.465 0.833 0.667 C 1.131 7 residues pruned to eliminate duplicates Z: 30 33.752 2.340 0.954 0.451 0.862 0.586 CB 1.672 30 residues pruned to eliminate duplicates Z: 22 17.888 2.191 0.704 0.385 0.714 0.476 CB 1.654 22 residues pruned to eliminate duplicates Z: 61 51.451 2.348 1.005 0.432 0.917 0.633 CB 1.652 96 residues pruned to eliminate duplicates Z: 9 20.081 2.102 0.542 0.816 1.000 0.750 CA 1.664 9 residues pruned to eliminate duplicates Z: 82 50.801 2.336 0.975 0.385 0.815 0.593 CB 1.695 82 residues pruned to eliminate duplicates Z: 66 51.553 2.292 0.986 0.482 0.877 0.492 CB 1.632 66 residues pruned to eliminate duplicates Z: 17 14.701 2.208 0.769 0.379 0.688 0.625 CB 1.557 17 residues pruned to eliminate duplicates Z: 14 24.396 2.252 0.196 0.941 1.000 0.923 CB 1.742 14 residues pruned to eliminate duplicates Z: 15 11.251 1.911 0.594 0.406 0.786 0.500 CB 1.387 15 residues pruned to eliminate duplicates Z: 40 49.300 2.336 1.070 0.574 0.923 0.564 CB 1.646 40 residues pruned to eliminate duplicates Z: 15 20.890 2.381 0.741 0.465 0.857 0.714 CB 1.628 15 residues pruned to eliminate duplicates Z: 13 17.010 2.298 0.673 0.576 0.833 0.333 CB 1.425 13 residues pruned to eliminate duplicates Z: 13 5.622 1.705 0.446 0.296 0.667 0.500 CB 1.241 13 residues pruned to eliminate duplicates Z: 22 28.291 2.285 1.241 0.423 0.762 0.524 CB 1.714 22 residues pruned to eliminate duplicates Z: 11 16.205 2.017 0.491 0.790 0.900 0.700 CB 1.468 Z: 16 9.438 1.751 0.690 0.226 0.933 0.867 CB 1.215 Z: 68 64.920 2.360 1.009 0.497 0.955 0.642 CB 1.756 95 residues pruned to eliminate duplicates Z: 23 33.659 2.302 0.917 0.599 0.955 0.591 CB 1.550 23 residues pruned to eliminate duplicates Z: 84 48.787 2.272 0.770 0.451 0.880 0.602 CB 1.592 84 residues pruned to eliminate duplicates Z: 51 47.699 2.364 1.051 0.445 0.880 0.500 CB 1.672 51 residues pruned to eliminate duplicates Z: 8 7.207 1.781 0.531 0.631 0.857 0.714 N 1.030 Z: 52 44.710 2.264 0.943 0.443 0.922 0.627 CB 1.637 52 residues pruned to eliminate duplicates Z: 41 32.830 2.206 0.799 0.408 0.900 0.625 CB 1.601 Z: 14 33.162 2.222 0.718 0.937 1.000 0.846 CB 1.676 14 residues pruned to eliminate duplicates Z: 25 30.618 2.169 0.559 0.640 0.958 0.875 CB 1.692 25 residues pruned to eliminate duplicates Z: 15 26.511 2.402 1.060 0.381 0.857 0.571 CA 1.896 15 residues pruned to eliminate duplicates Z: 97 71.009 2.355 1.053 0.461 0.896 0.677 CB 1.741 138 residues pruned to eliminate duplicates Z: 11 14.688 2.171 1.286 0.331 0.800 0.500 CB 1.408 11 residues pruned to eliminate duplicates Z: 43 49.152 2.371 0.952 0.571 0.952 0.524 CB 1.606 43 residues pruned to eliminate duplicates Z: 12 21.106 1.848 0.629 0.916 1.000 1.000 CB 1.494 12 residues pruned to eliminate duplicates Z: 61 62.630 2.428 0.846 0.591 0.933 0.650 CB 1.772 61 residues pruned to eliminate duplicates Z: 58 40.343 2.305 0.657 0.523 0.860 0.632 CB 1.592 58 residues pruned to eliminate duplicates Z: 72 45.219 2.273 0.881 0.386 0.887 0.620 CB 1.596 72 residues pruned to eliminate duplicates Z: 48 44.688 2.350 0.989 0.529 0.830 0.596 CB 1.633 48 residues pruned to eliminate duplicates Z: 28 21.822 2.135 0.808 0.369 0.852 0.667 CB 1.470 Z: 7 3.182 2.282 0.268 0.083 0.500 0.333 CB 1.539 7 residues pruned to eliminate duplicates Z: 16 14.554 2.140 0.649 0.443 0.867 0.600 CB 1.303 16 residues pruned to eliminate duplicates Z: 19 14.925 2.277 0.646 0.299 0.833 0.278 CB 1.409 19 residues pruned to eliminate duplicates Z: 18 36.675 2.307 1.402 0.577 0.882 0.824 CB 1.689 18 residues pruned to eliminate duplicates Z: 78 62.559 2.390 0.938 0.486 0.896 0.649 CB 1.742 106 residues pruned to eliminate duplicates Z: 88 67.492 2.375 1.059 0.466 0.908 0.575 CB 1.686 94 residues pruned to eliminate duplicates Z: 72 44.157 2.292 0.705 0.396 0.915 0.620 CB 1.635 72 residues pruned to eliminate duplicates Z: 12 21.067 1.921 0.634 0.869 1.000 0.545 CA 1.478 12 residues pruned to eliminate duplicates Z: 76 42.140 2.203 0.670 0.442 0.867 0.680 CB 1.621 76 residues pruned to eliminate duplicates 6 0.870 1.414 -0.157 0.314 0.800 0.400 CB 0.502 ? Z: 6 5.880 1.936 1.258 0.477 0.800 0.600 CB 0.770 Z: 62 37.430 2.168 0.781 0.396 0.869 0.590 CB 1.594 Z: 6 3.717 1.701 0.573 0.679 1.000 0.800 N 0.527 Z: 18 29.692 2.248 1.089 0.597 0.824 0.706 CB 1.697 18 residues pruned to eliminate duplicates Z: 13 7.509 1.904 0.510 0.259 0.667 0.417 CB 1.489 13 residues pruned to eliminate duplicates Z: 12 15.690 2.195 0.781 0.367 1.000 0.545 CB 1.395 12 residues pruned to eliminate duplicates Z: 18 28.809 2.348 1.403 0.407 0.882 0.647 CB 1.547 80 residues pruned to eliminate duplicates Z: 12 15.454 1.846 0.404 0.809 0.909 0.636 CA 1.510 12 residues pruned to eliminate duplicates Z: 12 15.331 1.783 0.543 0.899 1.000 0.727 CB 1.200 12 residues pruned to eliminate duplicates Z: 18 23.427 2.176 0.703 0.508 0.941 0.471 CB 1.616 18 residues pruned to eliminate duplicates Z: 22 30.456 2.235 0.765 0.620 0.952 0.714 CB 1.579 22 residues pruned to eliminate duplicates Z: 12 19.206 2.132 1.090 0.391 0.909 0.818 CB 1.604 12 residues pruned to eliminate duplicates Z: 50 49.206 2.303 1.040 0.432 0.959 0.653 CB 1.674 50 residues pruned to eliminate duplicates Z: 10 11.161 2.186 0.600 0.396 0.667 0.444 CB 1.781 10 residues pruned to eliminate duplicates Z: 9 19.161 2.080 0.367 0.903 1.000 1.000 CB 1.698 Z: 15 23.371 2.262 1.176 0.504 0.786 0.643 CB 1.608 15 residues pruned to eliminate duplicates Z: 8 11.229 1.803 1.308 0.627 1.000 0.714 CB 0.905 8 residues pruned to eliminate duplicates Z: 22 20.724 2.252 0.851 0.418 0.810 0.571 CB 1.460 22 residues pruned to eliminate duplicates Z: 64 46.266 2.289 0.878 0.432 0.905 0.619 CB 1.608 64 residues pruned to eliminate duplicates Z: 12 30.933 2.355 1.038 0.558 1.000 0.727 CB 1.836 12 residues pruned to eliminate duplicates Z: 37 34.137 2.261 0.771 0.453 0.917 0.611 CB 1.627 37 residues pruned to eliminate duplicates Z: 6 8.916 1.694 0.765 0.423 1.000 1.000 O 1.446 Z: 13 15.484 2.184 1.021 0.301 0.833 0.583 CB 1.517 Z: 15 22.398 2.236 0.882 0.518 0.929 0.714 CB 1.505 15 residues pruned to eliminate duplicates Z: 25 50.220 2.414 0.982 0.685 1.000 0.458 CB 1.807 25 residues pruned to eliminate duplicates Z: 79 48.500 2.313 0.851 0.392 0.846 0.590 CB 1.699 107 residues pruned to eliminate duplicates Z: 8 3.965 1.292 0.294 0.660 0.857 0.714 CA 0.901 Z: 56 51.181 2.463 0.928 0.453 0.891 0.618 CB 1.711 56 residues pruned to eliminate duplicates Z: 14 21.852 2.209 1.022 0.441 0.923 0.846 CB 1.562 14 residues pruned to eliminate duplicates Z: 9 12.370 2.159 0.727 0.408 0.875 0.625 CB 1.477 9 residues pruned to eliminate duplicates Z: 85 52.558 2.332 0.830 0.414 0.869 0.571 CB 1.692 85 residues pruned to eliminate duplicates Z: 6 7.151 1.997 0.399 0.577 1.000 0.800 CB 1.063 6 residues pruned to eliminate duplicates Z: 45 46.782 2.310 0.965 0.454 0.955 0.727 CB 1.706 45 residues pruned to eliminate duplicates Z: 20 29.748 2.347 0.783 0.535 0.947 0.474 CB 1.663 20 residues pruned to eliminate duplicates Z: 25 17.415 2.055 0.580 0.347 0.875 0.667 CB 1.478 25 residues pruned to eliminate duplicates Z: 8 12.563 1.793 0.439 0.716 1.000 0.857 CA 1.513 8 residues pruned to eliminate duplicates Z: 32 58.545 2.472 1.365 0.565 0.903 0.710 CB 1.870 32 residues pruned to eliminate duplicates Z: 6 5.894 1.589 0.151 0.730 1.000 1.000 CB 1.171 6 residues pruned to eliminate duplicates Z: 65 39.672 2.210 0.760 0.388 0.875 0.594 CB 1.641 65 residues pruned to eliminate duplicates Z: 26 21.129 2.292 0.723 0.330 0.800 0.600 CB 1.611 Z: 8 4.300 1.499 0.584 0.511 0.857 0.429 CB 0.790 Z: 8 16.994 2.143 0.712 0.815 0.857 0.571 CA 1.553 8 residues pruned to eliminate duplicates Z: 6 2.103 1.458 0.561 0.473 0.800 0.600 CB 0.531 Z: 18 15.988 2.030 0.558 0.454 0.941 0.412 CB 1.365 18 residues pruned to eliminate duplicates Z: 6 8.213 2.217 0.655 0.326 0.800 0.600 CB 1.516 Z: 62 60.955 2.351 1.082 0.522 0.934 0.672 CB 1.671 62 residues pruned to eliminate duplicates Z: 12 46.327 2.514 1.359 0.750 0.909 0.727 CA 2.072 12 residues pruned to eliminate duplicates Z: 11 16.587 1.815 0.842 0.763 0.900 0.500 CA 1.380 Z: 25 41.319 2.401 0.808 0.649 1.000 0.542 CB 1.690 25 residues pruned to eliminate duplicates Z: 12 18.601 1.805 0.606 0.921 1.000 0.909 CB 1.362 12 residues pruned to eliminate duplicates Z: 29 26.885 2.253 0.650 0.418 0.929 0.464 CB 1.603 29 residues pruned to eliminate duplicates Z: 15 28.280 2.081 0.933 0.885 0.929 0.429 CB 1.461 15 residues pruned to eliminate duplicates Z: 17 13.280 1.883 0.214 0.682 0.875 0.688 CA 1.404 17 residues pruned to eliminate duplicates Z: 36 31.916 2.283 0.770 0.482 0.857 0.486 CB 1.586 36 residues pruned to eliminate duplicates Z: 8 5.590 1.537 0.092 0.860 0.857 0.429 CB 1.080 7 residues pruned to eliminate duplicates Z: 8 3.435 1.526 0.410 0.370 0.571 0.286 N 1.215 Z: 7 8.971 1.935 0.549 0.661 0.833 0.833 CB 1.263 7 residues pruned to eliminate duplicates Z: 14 16.439 2.258 0.554 0.412 0.846 0.615 CA 1.684 15 residues pruned to eliminate duplicates Z: 69 48.067 2.205 0.960 0.467 0.882 0.676 CB 1.581 69 residues pruned to eliminate duplicates Z: 49 59.131 2.464 0.939 0.537 0.979 0.667 CB 1.759 49 residues pruned to eliminate duplicates Z: 7 8.867 1.950 0.543 0.539 0.833 0.833 CB 1.390 7 residues pruned to eliminate duplicates Z: 10 31.095 2.601 0.796 0.595 1.000 0.667 CA 2.025 10 residues pruned to eliminate duplicates Z: 7 7.334 1.614 0.247 0.714 1.000 0.667 C 1.226 Z: 10 11.111 1.923 0.787 0.314 0.889 0.667 CB 1.490 10 residues pruned to eliminate duplicates Z: 54 65.110 2.499 0.979 0.569 0.981 0.679 CB 1.724 57 residues pruned to eliminate duplicates Z: 7 3.602 1.628 0.366 0.539 0.833 0.667 CB 0.764 7 residues pruned to eliminate duplicates Z: 16 32.574 2.215 0.589 0.887 1.000 0.733 CB 1.723 16 residues pruned to eliminate duplicates Z: 10 13.144 2.312 0.622 0.193 0.889 0.444 C 1.897 10 residues pruned to eliminate duplicates Z: 40 36.879 2.365 0.752 0.439 0.872 0.590 CB 1.742 40 residues pruned to eliminate duplicates Z: 45 42.417 2.285 0.782 0.471 0.955 0.659 CB 1.695 45 residues pruned to eliminate duplicates Z: 32 40.625 2.396 0.873 0.524 0.935 0.677 CB 1.697 29 residues pruned to eliminate duplicates Z: 30 36.288 2.201 0.843 0.669 0.931 0.862 CB 1.526 30 residues pruned to eliminate duplicates Z: 39 23.943 2.255 0.690 0.345 0.763 0.395 CB 1.580 39 residues pruned to eliminate duplicates Z: 42 40.287 2.421 0.932 0.457 0.829 0.488 CB 1.695 42 residues pruned to eliminate duplicates Z: 11 14.058 2.531 0.077 0.525 1.000 0.900 CB 1.591 11 residues pruned to eliminate duplicates Z: 34 24.313 2.270 0.641 0.340 0.848 0.576 CB 1.594 26 residues pruned to eliminate duplicates Z: 14 21.339 2.212 1.221 0.379 0.923 0.615 CB 1.485 14 residues pruned to eliminate duplicates Z: 57 35.833 2.210 0.809 0.373 0.875 0.571 CB 1.567 51 residues pruned to eliminate duplicates Z: 37 47.198 2.453 0.834 0.530 0.972 0.694 CB 1.747 37 residues pruned to eliminate duplicates Z: 13 46.697 2.276 1.190 0.930 1.000 0.583 CA 1.891 13 residues pruned to eliminate duplicates Z: 11 5.319 1.844 0.373 0.374 0.800 0.600 CB 0.950 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 76 44.348 2.303 0.808 0.368 0.907 0.533 CB 1.562 76 residues pruned to eliminate duplicates Z: 30 23.389 2.214 0.834 0.289 0.862 0.483 CB 1.572 30 residues pruned to eliminate duplicates Z: 11 14.363 2.076 1.005 0.379 0.900 0.500 CB 1.380 6 residues pruned to eliminate duplicates Z: 6 6.250 1.744 0.963 0.293 0.800 0.600 N 1.286 6 residues pruned to eliminate duplicates Z: 86 72.016 2.405 1.104 0.463 0.906 0.647 CB 1.770 144 residues pruned to eliminate duplicates Z: 16 25.137 2.186 0.988 0.540 0.933 0.800 CB 1.538 16 residues pruned to eliminate duplicates Z: 12 23.672 2.232 1.224 0.577 0.909 0.909 CB 1.469 12 residues pruned to eliminate duplicates Z: 25 32.606 2.362 0.855 0.426 0.875 0.708 CB 1.875 25 residues pruned to eliminate duplicates Z: 64 44.915 2.305 0.894 0.456 0.841 0.556 CB 1.613 64 residues pruned to eliminate duplicates Z: 105 68.832 2.418 0.917 0.434 0.894 0.635 CB 1.743 105 residues pruned to eliminate duplicates Z: 19 40.151 2.413 1.457 0.539 0.889 0.778 CB 1.729 19 residues pruned to eliminate duplicates Z: 37 54.276 2.425 1.131 0.554 0.889 0.667 CB 1.869 37 residues pruned to eliminate duplicates Z: 81 60.722 2.380 0.951 0.451 0.900 0.650 CB 1.708 81 residues pruned to eliminate duplicates Z: 9 23.687 2.383 1.434 0.480 0.875 0.750 CA 1.684 9 residues pruned to eliminate duplicates Z: 15 27.472 2.315 1.477 0.415 0.857 0.714 CB 1.633 15 residues pruned to eliminate duplicates Z: 23 48.404 2.503 1.139 0.662 0.864 0.727 CB 1.921 23 residues pruned to eliminate duplicates Z: 38 60.815 2.521 1.332 0.580 0.892 0.811 CB 1.767 38 residues pruned to eliminate duplicates Z: 79 63.890 2.416 0.918 0.486 0.885 0.628 CB 1.789 79 residues pruned to eliminate duplicates Z: 24 40.061 2.405 1.123 0.529 0.826 0.565 CB 1.925 24 residues pruned to eliminate duplicates Z: 17 45.676 2.551 1.169 0.707 0.875 0.688 CB 1.954 17 residues pruned to eliminate duplicates Z: 32 59.312 2.488 1.232 0.622 0.903 0.710 CB 1.893 32 residues pruned to eliminate duplicates Z: 16 48.289 2.615 1.027 0.754 0.933 0.733 CB 2.010 16 residues pruned to eliminate duplicates Z: 15 47.819 2.568 1.099 0.757 0.929 0.786 CA 2.031 15 residues pruned to eliminate duplicates Z: 21 36.669 2.478 1.082 0.606 0.800 0.650 CB 1.796 21 residues pruned to eliminate duplicates Z: 16 47.893 2.562 1.059 0.720 0.933 0.733 CB 2.059 16 residues pruned to eliminate duplicates Z: 21 47.017 2.416 1.126 0.632 0.950 0.750 CB 1.904 21 residues pruned to eliminate duplicates Z: 69 57.849 2.396 1.010 0.451 0.868 0.588 CB 1.765 69 residues pruned to eliminate duplicates Z: 80 65.216 2.389 0.967 0.475 0.899 0.633 CB 1.781 80 residues pruned to eliminate duplicates Z: 17 53.553 2.595 1.307 0.749 0.875 0.688 CB 2.046 17 residues pruned to eliminate duplicates Z: 68 63.242 2.373 0.994 0.491 0.925 0.657 CB 1.780 68 residues pruned to eliminate duplicates Z: 82 60.784 2.357 0.996 0.443 0.877 0.556 CB 1.736 82 residues pruned to eliminate duplicates Z: 89 62.556 2.398 0.966 0.434 0.886 0.614 CB 1.709 89 residues pruned to eliminate duplicates Z: 71 47.664 2.345 0.850 0.392 0.871 0.629 CB 1.688 71 residues pruned to eliminate duplicates Z: 92 60.589 2.343 0.980 0.434 0.890 0.593 CB 1.646 92 residues pruned to eliminate duplicates Z: 51 36.178 2.285 0.832 0.401 0.880 0.600 CB 1.541 51 residues pruned to eliminate duplicates Z: 53 42.610 2.337 0.826 0.402 0.904 0.635 CB 1.699 53 residues pruned to eliminate duplicates Z: 24 22.408 2.141 0.556 0.446 0.870 0.522 CB 1.705 24 residues pruned to eliminate duplicates Z: 63 55.732 2.336 0.989 0.497 0.919 0.645 CB 1.663 63 residues pruned to eliminate duplicates Z: 106 69.634 2.366 1.025 0.444 0.895 0.657 CB 1.678 106 residues pruned to eliminate duplicates Z: 65 44.113 2.330 0.886 0.388 0.859 0.594 CB 1.644 65 residues pruned to eliminate duplicates Z: 61 42.677 2.290 0.784 0.407 0.883 0.583 CB 1.683 61 residues pruned to eliminate duplicates Z: 63 45.535 2.318 0.865 0.396 0.903 0.613 CB 1.652 63 residues pruned to eliminate duplicates Z: 84 71.752 2.406 1.027 0.495 0.928 0.663 CB 1.749 84 residues pruned to eliminate duplicates Z: 85 48.608 2.297 0.861 0.346 0.893 0.512 CB 1.642 85 residues pruned to eliminate duplicates Z: 50 57.258 2.413 1.071 0.537 0.898 0.592 CB 1.758 50 residues pruned to eliminate duplicates Z: 22 31.203 2.391 0.893 0.522 0.810 0.714 CB 1.819 22 residues pruned to eliminate duplicates Z: 46 40.494 2.281 0.853 0.443 0.911 0.711 CB 1.663 46 residues pruned to eliminate duplicates Z: 36 41.465 2.371 0.956 0.490 0.914 0.571 CB 1.670 36 residues pruned to eliminate duplicates Z: 64 51.895 2.319 0.928 0.433 0.921 0.603 CB 1.702 64 residues pruned to eliminate duplicates Z: 64 49.054 2.313 0.927 0.411 0.889 0.667 CB 1.712 64 residues pruned to eliminate duplicates Z: 70 56.125 2.353 1.003 0.451 0.899 0.609 CB 1.677 70 residues pruned to eliminate duplicates Z: 52 43.147 2.328 0.874 0.396 0.941 0.608 CB 1.642 52 residues pruned to eliminate duplicates Z: 45 38.957 2.269 0.890 0.430 0.886 0.636 CB 1.660 45 residues pruned to eliminate duplicates Z: 60 45.460 2.338 0.846 0.415 0.898 0.576 CB 1.668 60 residues pruned to eliminate duplicates Z: 71 40.725 2.298 0.859 0.354 0.814 0.543 CB 1.639 71 residues pruned to eliminate duplicates Z: 106 71.201 2.361 0.968 0.467 0.895 0.629 CB 1.727 106 residues pruned to eliminate duplicates Z: 66 44.950 2.315 0.937 0.397 0.846 0.615 CB 1.638 66 residues pruned to eliminate duplicates Z: 81 62.609 2.372 1.048 0.470 0.875 0.613 CB 1.698 81 residues pruned to eliminate duplicates Z: 51 41.589 2.313 0.858 0.384 0.900 0.580 CB 1.720 51 residues pruned to eliminate duplicates Z: 51 40.133 2.305 0.871 0.389 0.900 0.620 CB 1.646 51 residues pruned to eliminate duplicates Z: 51 42.382 2.275 0.923 0.411 0.900 0.580 CB 1.670 51 residues pruned to eliminate duplicates Z: 37 42.030 2.399 1.021 0.478 0.889 0.583 CB 1.662 37 residues pruned to eliminate duplicates Z: 69 58.887 2.360 0.998 0.477 0.912 0.691 CB 1.701 69 residues pruned to eliminate duplicates Z: 51 44.266 2.262 0.889 0.416 0.960 0.740 CB 1.666 51 residues pruned to eliminate duplicates Z: 65 48.298 2.319 0.939 0.427 0.875 0.703 CB 1.655 65 residues pruned to eliminate duplicates Z: 86 59.671 2.395 0.951 0.388 0.906 0.588 CB 1.721 86 residues pruned to eliminate duplicates Z: 79 58.888 2.333 0.968 0.437 0.910 0.590 CB 1.702 79 residues pruned to eliminate duplicates Z: 67 48.446 2.352 0.909 0.397 0.879 0.576 CB 1.684 67 residues pruned to eliminate duplicates Z: 69 45.014 2.295 0.889 0.386 0.853 0.632 CB 1.665 69 residues pruned to eliminate duplicates Z: 61 45.694 2.258 0.866 0.412 0.917 0.617 CB 1.675 61 residues pruned to eliminate duplicates Z: 64 42.215 2.298 0.874 0.382 0.841 0.603 CB 1.665 64 residues pruned to eliminate duplicates Z: 86 74.923 2.396 1.143 0.480 0.918 0.612 CB 1.760 86 residues pruned to eliminate duplicates Z: 57 39.001 2.286 0.920 0.375 0.839 0.625 CB 1.617 57 residues pruned to eliminate duplicates Z: 79 71.008 2.389 1.172 0.489 0.910 0.628 CB 1.722 79 residues pruned to eliminate duplicates Z: 38 19.049 2.136 0.596 0.295 0.811 0.568 CB 1.424 Z: 6 2.676 1.633 0.089 0.228 1.000 0.800 CA 0.925 6 residues pruned to eliminate duplicates Z: 80 67.759 2.369 1.055 0.475 0.899 0.608 CB 1.787 118 residues pruned to eliminate duplicates Z: 53 43.641 2.317 0.953 0.395 0.885 0.654 CB 1.688 53 residues pruned to eliminate duplicates Z: 66 49.392 2.314 1.030 0.417 0.862 0.585 CB 1.651 66 residues pruned to eliminate duplicates Z: 52 45.386 2.332 0.940 0.418 0.902 0.667 CB 1.696 52 residues pruned to eliminate duplicates Z: 71 63.358 2.403 1.009 0.472 0.929 0.614 CB 1.738 71 residues pruned to eliminate duplicates Z: 47 31.026 2.234 0.796 0.335 0.891 0.565 CB 1.531 Z: 6 8.444 1.940 0.885 0.395 0.800 0.600 C 1.442 6 residues pruned to eliminate duplicates Z: 20 23.763 2.373 0.916 0.331 0.842 0.579 CB 1.714 24 residues pruned to eliminate duplicates Z: 6 4.476 1.625 0.586 0.441 1.000 0.600 CA 0.825 6 residues pruned to eliminate duplicates Z: 11 30.849 2.253 1.197 0.680 0.900 0.700 CA 1.855 11 residues pruned to eliminate duplicates Z: 72 47.316 2.338 0.795 0.397 0.887 0.620 CB 1.681 115 residues pruned to eliminate duplicates Z: 71 51.015 2.341 0.951 0.397 0.900 0.600 CB 1.653 71 residues pruned to eliminate duplicates Z: 74 50.592 2.355 0.941 0.389 0.877 0.616 CB 1.661 74 residues pruned to eliminate duplicates Z: 69 48.722 2.347 0.935 0.402 0.868 0.603 CB 1.663 69 residues pruned to eliminate duplicates Z: 17 14.921 2.277 0.732 0.308 0.938 0.562 CB 1.249 17 residues pruned to eliminate duplicates Z: 95 62.151 2.410 1.043 0.408 0.851 0.521 CB 1.685 82 residues pruned to eliminate duplicates Z: 6 4.413 1.567 0.383 0.367 1.000 0.600 CA 1.051 6 residues pruned to eliminate duplicates Z: 74 52.118 2.340 0.940 0.400 0.904 0.658 CB 1.650 74 residues pruned to eliminate duplicates Z: 105 55.439 2.332 0.979 0.361 0.856 0.529 CB 1.598 105 residues pruned to eliminate duplicates Z: 29 26.916 2.365 0.900 0.302 0.857 0.536 CB 1.647 29 residues pruned to eliminate duplicates Z: 142 78.649 2.370 0.874 0.454 0.915 0.624 CB 1.708 142 residues pruned to eliminate duplicates Z: 29 29.656 2.426 1.115 0.353 0.786 0.607 CB 1.630 29 residues pruned to eliminate duplicates Z: 78 62.237 2.420 0.882 0.498 0.896 0.597 CB 1.740 78 residues pruned to eliminate duplicates Z: 88 57.421 2.367 1.015 0.387 0.885 0.621 CB 1.644 88 residues pruned to eliminate duplicates Z: 22 30.230 2.448 1.195 0.381 0.762 0.429 CB 1.828 22 residues pruned to eliminate duplicates Z: 51 32.703 2.287 0.756 0.385 0.780 0.520 CB 1.668 51 residues pruned to eliminate duplicates Z: 81 56.514 2.346 0.983 0.391 0.887 0.575 CB 1.718 81 residues pruned to eliminate duplicates Z: 22 16.403 2.294 0.993 0.243 0.714 0.429 CB 1.476 22 residues pruned to eliminate duplicates Z: 82 53.478 2.405 0.754 0.481 0.864 0.593 CB 1.661 82 residues pruned to eliminate duplicates Z: 40 33.390 2.275 0.669 0.446 0.923 0.462 CB 1.613 40 residues pruned to eliminate duplicates Z: 79 56.589 2.405 0.791 0.500 0.885 0.628 CB 1.681 79 residues pruned to eliminate duplicates Z: 21 20.179 2.337 1.089 0.307 0.700 0.400 CB 1.636 21 residues pruned to eliminate duplicates Z: 50 44.041 2.450 0.776 0.498 0.878 0.571 CB 1.651 50 residues pruned to eliminate duplicates Z: 49 32.339 2.317 0.553 0.434 0.833 0.500 CB 1.667 49 residues pruned to eliminate duplicates Z: 74 61.521 2.470 0.853 0.494 0.890 0.644 CB 1.777 75 residues pruned to eliminate duplicates Z: 6 2.801 1.576 0.237 0.328 0.800 0.400 C 0.970 6 residues pruned to eliminate duplicates Z: 78 62.979 2.485 0.870 0.512 0.883 0.597 CB 1.728 78 residues pruned to eliminate duplicates Z: 52 46.750 2.404 0.825 0.506 0.882 0.627 CB 1.682 52 residues pruned to eliminate duplicates Z: 45 38.863 2.360 0.814 0.488 0.795 0.545 CB 1.741 45 residues pruned to eliminate duplicates Z: 34 38.433 2.364 0.641 0.568 0.939 0.576 CB 1.720 34 residues pruned to eliminate duplicates Z: 53 48.223 2.386 0.784 0.516 0.885 0.538 CB 1.748 53 residues pruned to eliminate duplicates Z: 29 39.745 2.393 0.609 0.627 1.000 0.643 CB 1.731 29 residues pruned to eliminate duplicates Z: 50 50.850 2.462 0.762 0.513 0.959 0.551 CB 1.723 50 residues pruned to eliminate duplicates Z: 50 47.793 2.474 0.834 0.514 0.857 0.551 CB 1.731 50 residues pruned to eliminate duplicates Z: 50 50.593 2.450 0.796 0.535 0.898 0.531 CB 1.767 50 residues pruned to eliminate duplicates Z: 79 65.427 2.448 0.878 0.515 0.923 0.603 CB 1.719 79 residues pruned to eliminate duplicates Z: 25 16.199 2.142 0.489 0.348 0.875 0.417 CB 1.398 25 residues pruned to eliminate duplicates Z: 31 41.949 2.329 0.643 0.646 1.000 0.567 CB 1.747 31 residues pruned to eliminate duplicates Z: 48 38.452 2.370 0.599 0.491 0.894 0.553 CB 1.670 48 residues pruned to eliminate duplicates Z: 51 43.120 2.372 0.683 0.495 0.900 0.560 CB 1.706 51 residues pruned to eliminate duplicates Z: 37 39.871 2.387 0.708 0.530 0.944 0.722 CB 1.676 37 residues pruned to eliminate duplicates Z: 58 56.113 2.495 0.877 0.468 0.912 0.509 CB 1.797 58 residues pruned to eliminate duplicates Z: 32 39.609 2.293 0.667 0.578 0.968 0.581 CB 1.785 32 residues pruned to eliminate duplicates Z: 112 67.868 2.356 0.866 0.425 0.901 0.613 CB 1.758 112 residues pruned to eliminate duplicates Z: 73 56.608 2.378 0.888 0.495 0.903 0.611 CB 1.654 73 residues pruned to eliminate duplicates Z: 57 63.241 2.456 0.857 0.592 0.964 0.679 CB 1.760 57 residues pruned to eliminate duplicates Z: 29 42.203 2.399 0.670 0.638 1.000 0.643 CB 1.749 29 residues pruned to eliminate duplicates Z: 57 60.461 2.469 0.815 0.583 0.964 0.732 CB 1.727 57 residues pruned to eliminate duplicates Z: 76 60.822 2.448 0.897 0.508 0.880 0.547 CB 1.705 76 residues pruned to eliminate duplicates Z: 44 53.012 2.471 1.074 0.505 0.907 0.581 CB 1.731 44 residues pruned to eliminate duplicates Z: 37 55.669 2.442 1.031 0.560 1.000 0.583 CB 1.764 37 residues pruned to eliminate duplicates Z: 41 30.526 2.208 0.729 0.492 0.875 0.550 CB 1.456 41 residues pruned to eliminate duplicates Z: 49 43.434 2.425 0.873 0.499 0.833 0.562 CB 1.658 49 residues pruned to eliminate duplicates Z: 49 50.769 2.404 1.003 0.507 0.896 0.583 CB 1.686 49 residues pruned to eliminate duplicates Z: 79 61.446 2.405 0.814 0.502 0.910 0.590 CB 1.750 78 residues pruned to eliminate duplicates Z: 7 3.903 1.769 0.082 0.358 0.667 0.333 CA 1.457 7 residues pruned to eliminate duplicates Z: 56 57.588 2.438 0.827 0.592 0.927 0.691 CB 1.722 56 residues pruned to eliminate duplicates Z: 43 56.261 2.485 1.139 0.505 0.929 0.619 CB 1.749 43 residues pruned to eliminate duplicates Z: 58 51.321 2.430 0.979 0.446 0.895 0.561 CB 1.670 58 residues pruned to eliminate duplicates Z: 45 39.838 2.314 0.941 0.437 0.886 0.545 CB 1.610 45 residues pruned to eliminate duplicates Z: 55 49.933 2.348 0.876 0.522 0.944 0.574 CB 1.599 55 residues pruned to eliminate duplicates Z: 17 17.615 2.211 1.020 0.291 0.875 0.438 CB 1.426 17 residues pruned to eliminate duplicates Z: 76 70.485 2.508 1.007 0.521 0.920 0.627 CB 1.722 76 residues pruned to eliminate duplicates Z: 80 54.424 2.367 0.771 0.480 0.873 0.570 CB 1.706 80 residues pruned to eliminate duplicates Z: 56 60.170 2.455 0.794 0.588 0.964 0.636 CB 1.758 56 residues pruned to eliminate duplicates Z: 55 58.606 2.480 0.829 0.575 0.926 0.704 CB 1.767 55 residues pruned to eliminate duplicates Z: 76 68.612 2.441 1.044 0.498 0.933 0.613 CB 1.705 76 residues pruned to eliminate duplicates Z: 57 55.757 2.434 0.715 0.570 0.946 0.607 CB 1.763 57 residues pruned to eliminate duplicates Z: 57 57.515 2.429 0.844 0.590 0.929 0.679 CB 1.695 57 residues pruned to eliminate duplicates Z: 79 62.498 2.447 0.913 0.508 0.872 0.577 CB 1.720 79 residues pruned to eliminate duplicates Z: 78 65.063 2.446 0.994 0.523 0.870 0.662 CB 1.707 78 residues pruned to eliminate duplicates Z: 21 31.959 2.318 0.778 0.638 0.950 0.800 CB 1.603 21 residues pruned to eliminate duplicates Z: 56 59.720 2.441 0.861 0.585 0.927 0.691 CB 1.762 56 residues pruned to eliminate duplicates Z: 22 26.296 2.254 0.762 0.597 0.905 0.762 CB 1.456 22 residues pruned to eliminate duplicates Z: 80 67.889 2.440 0.971 0.507 0.911 0.646 CB 1.732 80 residues pruned to eliminate duplicates Z: 77 63.364 2.467 0.920 0.510 0.895 0.539 CB 1.697 77 residues pruned to eliminate duplicates Z: 20 37.273 2.397 0.931 0.666 1.000 0.789 CB 1.584 21 residues pruned to eliminate duplicates Z: 14 32.729 2.290 0.728 0.886 1.000 0.923 CB 1.654 14 residues pruned to eliminate duplicates Z: 66 56.788 2.418 0.897 0.515 0.908 0.646 CB 1.666 66 residues pruned to eliminate duplicates Z: 76 57.487 2.393 0.934 0.461 0.893 0.533 CB 1.670 76 residues pruned to eliminate duplicates Z: 21 38.056 2.258 1.146 0.638 0.950 0.800 CB 1.624 21 residues pruned to eliminate duplicates Z: 32 41.292 2.439 0.943 0.508 0.935 0.581 CB 1.660 32 residues pruned to eliminate duplicates Z: 20 16.688 1.953 0.698 0.401 0.842 0.579 CB 1.521 20 residues pruned to eliminate duplicates Z: 19 15.406 2.032 0.815 0.331 0.722 0.556 CB 1.641 19 residues pruned to eliminate duplicates Z: 16 13.777 2.072 0.694 0.405 0.800 0.600 CA 1.399 16 residues pruned to eliminate duplicates Z: 17 22.060 2.095 0.798 0.435 0.938 0.750 CA 1.671 17 residues pruned to eliminate duplicates Z: 16 18.131 2.062 0.719 0.470 0.867 0.600 CA 1.570 16 residues pruned to eliminate duplicates Z: 20 13.416 1.948 0.520 0.395 0.789 0.684 CB 1.470 20 residues pruned to eliminate duplicates Z: 18 17.804 2.084 0.668 0.344 0.882 0.706 CB 1.667 18 residues pruned to eliminate duplicates Z: 16 15.962 2.096 0.712 0.357 0.800 0.667 CB 1.675 16 residues pruned to eliminate duplicates Z: 16 17.724 2.123 0.718 0.361 0.800 0.733 CA 1.822 16 residues pruned to eliminate duplicates Z: 17 18.040 2.063 0.571 0.458 0.812 0.625 CA 1.788 17 residues pruned to eliminate duplicates Z: 17 17.835 2.153 0.527 0.338 0.875 0.625 CA 1.850 17 residues pruned to eliminate duplicates Z: 19 15.513 1.985 0.604 0.291 0.889 0.500 CA 1.633 19 residues pruned to eliminate duplicates Z: 24 15.246 2.012 0.417 0.323 0.870 0.478 CB 1.558 24 residues pruned to eliminate duplicates Z: 30 19.805 2.012 0.664 0.357 0.862 0.483 CB 1.486 30 residues pruned to eliminate duplicates Z: 17 11.552 1.896 0.752 0.452 0.812 0.438 CB 1.124 17 residues pruned to eliminate duplicates Z: 14 11.491 1.903 0.304 0.472 0.923 0.385 CB 1.431 14 residues pruned to eliminate duplicates Z: 13 8.109 1.901 0.219 0.424 0.750 0.417 CA 1.457 13 residues pruned to eliminate duplicates Z: 13 12.632 2.040 0.475 0.422 0.833 0.333 CB 1.578 13 residues pruned to eliminate duplicates Z: 14 15.046 2.026 0.866 0.474 0.846 0.615 CB 1.339 14 residues pruned to eliminate duplicates Z: 15 13.979 1.881 0.657 0.575 0.857 0.643 CB 1.301 15 residues pruned to eliminate duplicates Z: 16 14.016 1.834 0.802 0.561 0.800 0.733 CB 1.291 16 residues pruned to eliminate duplicates Z: 6 5.149 1.645 0.759 0.535 0.800 0.400 C 0.961 6 residues pruned to eliminate duplicates Z: 16 8.838 1.786 0.639 0.354 0.800 0.600 CB 1.141 16 residues pruned to eliminate duplicates Z: 11 8.613 1.797 0.339 0.486 0.900 0.500 CB 1.276 11 residues pruned to eliminate duplicates Z: 16 12.338 1.876 0.937 0.512 0.867 0.467 CB 1.000 16 residues pruned to eliminate duplicates Z: 21 24.522 2.126 1.026 0.438 0.850 0.700 CA 1.597 21 residues pruned to eliminate duplicates Z: 24 25.680 2.175 0.846 0.395 0.870 0.696 CB 1.714 24 residues pruned to eliminate duplicates Z: 11 15.473 2.037 0.995 0.509 0.900 0.500 CB 1.326 11 residues pruned to eliminate duplicates Z: 32 45.828 2.291 0.970 0.640 0.968 0.774 CB 1.653 32 residues pruned to eliminate duplicates Z: 33 39.266 2.206 0.948 0.609 0.938 0.750 CB 1.554 33 residues pruned to eliminate duplicates Z: 17 21.542 1.982 0.971 0.490 0.875 0.688 CB 1.591 17 residues pruned to eliminate duplicates Z: 10 9.275 1.747 0.569 0.417 0.889 0.667 CB 1.384 10 residues pruned to eliminate duplicates Z: 34 40.640 2.190 1.085 0.602 0.879 0.758 CB 1.599 34 residues pruned to eliminate duplicates Z: 100 56.157 2.265 0.840 0.455 0.899 0.646 CB 1.577 100 residues pruned to eliminate duplicates Z: 23 28.187 2.079 0.817 0.604 0.909 0.773 CA 1.586 23 residues pruned to eliminate duplicates Z: 27 21.514 2.076 0.649 0.538 0.808 0.615 CB 1.470 27 residues pruned to eliminate duplicates Z: 9 19.093 2.259 1.045 0.510 0.875 0.750 CA 1.653 9 residues pruned to eliminate duplicates Z: 8 21.878 2.385 1.208 0.517 0.857 0.857 CB 1.801 8 residues pruned to eliminate duplicates Z: 85 54.418 2.263 0.785 0.474 0.905 0.619 CB 1.668 85 residues pruned to eliminate duplicates Z: 22 37.300 2.223 0.810 0.704 0.952 0.810 CB 1.764 22 residues pruned to eliminate duplicates Z: 22 15.170 1.917 0.405 0.587 0.810 0.667 CB 1.396 22 residues pruned to eliminate duplicates Z: 18 24.073 2.115 0.565 0.702 1.000 0.765 CB 1.468 18 residues pruned to eliminate duplicates Z: 65 44.872 2.241 0.654 0.518 0.922 0.688 CB 1.612 65 residues pruned to eliminate duplicates Z: 33 36.714 2.175 0.985 0.615 0.906 0.688 CB 1.487 33 residues pruned to eliminate duplicates Z: 21 37.013 2.225 0.947 0.688 0.950 0.700 CB 1.693 21 residues pruned to eliminate duplicates Z: 17 24.024 2.097 0.680 0.686 1.000 0.625 CB 1.437 17 residues pruned to eliminate duplicates Z: 26 19.745 2.069 0.633 0.495 0.880 0.520 CB 1.334 26 residues pruned to eliminate duplicates Z: 17 21.442 2.000 0.637 0.763 0.875 0.750 CB 1.482 17 residues pruned to eliminate duplicates Z: 16 29.781 2.145 0.639 0.791 1.000 0.667 CB 1.695 16 residues pruned to eliminate duplicates Z: 21 28.389 2.179 0.688 0.668 0.900 0.800 CB 1.641 21 residues pruned to eliminate duplicates Z: 21 39.699 2.224 0.928 0.713 1.000 0.750 CB 1.706 21 residues pruned to eliminate duplicates Z: 26 31.013 2.002 0.883 0.638 0.920 0.640 CB 1.571 26 residues pruned to eliminate duplicates Z: 23 34.969 2.167 0.962 0.672 0.955 0.682 CB 1.566 23 residues pruned to eliminate duplicates Z: 69 47.174 2.264 0.792 0.487 0.897 0.574 CB 1.592 69 residues pruned to eliminate duplicates Z: 95 53.744 2.255 0.850 0.462 0.872 0.596 CB 1.584 95 residues pruned to eliminate duplicates Z: 54 37.976 2.304 0.691 0.397 0.906 0.547 CB 1.648 54 residues pruned to eliminate duplicates Z: 74 39.839 2.265 0.813 0.373 0.836 0.507 CB 1.557 74 residues pruned to eliminate duplicates Z: 88 49.941 2.242 0.800 0.434 0.897 0.563 CB 1.585 88 residues pruned to eliminate duplicates Z: 6 7.601 2.100 1.038 0.239 0.800 0.400 CB 1.342 6 residues pruned to eliminate duplicates Z: 22 18.043 1.973 0.896 0.470 0.762 0.619 CB 1.424 22 residues pruned to eliminate duplicates Z: 81 41.251 2.170 0.737 0.433 0.863 0.625 CB 1.520 81 residues pruned to eliminate duplicates Z: 72 43.195 2.261 0.781 0.390 0.887 0.535 CB 1.612 72 residues pruned to eliminate duplicates Z: 64 47.444 2.230 0.817 0.512 0.921 0.635 CB 1.582 64 residues pruned to eliminate duplicates Z: 82 49.100 2.244 0.831 0.454 0.877 0.630 CB 1.588 82 residues pruned to eliminate duplicates Z: 73 43.629 2.307 0.751 0.395 0.875 0.653 CB 1.626 73 residues pruned to eliminate duplicates Z: 55 40.975 2.258 0.787 0.454 0.907 0.593 CB 1.596 55 residues pruned to eliminate duplicates Z: 71 42.046 2.225 0.705 0.463 0.886 0.600 CB 1.552 71 residues pruned to eliminate duplicates Z: 56 41.705 2.191 0.845 0.485 0.909 0.545 CB 1.554 56 residues pruned to eliminate duplicates Z: 63 40.715 2.220 0.821 0.426 0.887 0.629 CB 1.557 63 residues pruned to eliminate duplicates Z: 55 39.333 2.246 0.828 0.399 0.907 0.667 CB 1.599 55 residues pruned to eliminate duplicates Z: 72 50.786 2.287 0.967 0.390 0.915 0.648 CB 1.645 72 residues pruned to eliminate duplicates Z: 53 39.514 2.260 0.784 0.409 0.923 0.615 CB 1.620 53 residues pruned to eliminate duplicates Z: 72 43.439 2.281 0.838 0.387 0.873 0.606 CB 1.588 72 residues pruned to eliminate duplicates Z: 71 46.147 2.334 0.847 0.391 0.886 0.614 CB 1.621 71 residues pruned to eliminate duplicates Z: 82 49.190 2.215 0.950 0.456 0.852 0.630 CB 1.553 82 residues pruned to eliminate duplicates Z: 72 44.391 2.282 0.906 0.396 0.873 0.606 CB 1.548 72 residues pruned to eliminate duplicates Z: 75 40.662 2.260 0.775 0.370 0.865 0.608 CB 1.566 75 residues pruned to eliminate duplicates Z: 54 40.219 2.266 0.860 0.393 0.925 0.623 CB 1.587 54 residues pruned to eliminate duplicates Z: 53 40.766 2.300 0.852 0.394 0.942 0.615 CB 1.575 53 residues pruned to eliminate duplicates Z: 71 43.611 2.291 0.845 0.376 0.871 0.586 CB 1.615 71 residues pruned to eliminate duplicates Z: 68 48.902 2.253 0.830 0.489 0.925 0.657 CB 1.582 68 residues pruned to eliminate duplicates Z: 63 42.778 2.287 0.825 0.409 0.903 0.629 CB 1.586 63 residues pruned to eliminate duplicates Z: 50 40.568 2.270 0.943 0.433 0.878 0.694 CB 1.606 50 residues pruned to eliminate duplicates Z: 70 40.633 2.295 0.879 0.360 0.841 0.580 CB 1.569 70 residues pruned to eliminate duplicates Z: 59 47.081 2.350 0.898 0.430 0.897 0.672 CB 1.662 59 residues pruned to eliminate duplicates Z: 47 32.878 2.247 0.725 0.378 0.870 0.565 CB 1.637 47 residues pruned to eliminate duplicates Z: 63 42.165 2.263 0.912 0.406 0.855 0.597 CB 1.599 63 residues pruned to eliminate duplicates Z: 63 48.026 2.317 0.894 0.430 0.903 0.661 CB 1.655 63 residues pruned to eliminate duplicates Z: 87 48.988 2.263 0.889 0.415 0.872 0.535 CB 1.549 87 residues pruned to eliminate duplicates Z: 50 41.463 2.322 0.842 0.423 0.918 0.673 CB 1.634 50 residues pruned to eliminate duplicates Z: 82 50.350 2.239 0.902 0.409 0.901 0.654 CB 1.604 82 residues pruned to eliminate duplicates Z: 36 34.729 2.255 0.788 0.433 0.943 0.714 CB 1.654 36 residues pruned to eliminate duplicates Z: 103 57.332 2.335 0.808 0.428 0.912 0.647 CB 1.590 103 residues pruned to eliminate duplicates Z: 50 41.563 2.263 0.904 0.428 0.918 0.673 CB 1.617 50 residues pruned to eliminate duplicates Z: 50 38.797 2.253 0.828 0.410 0.918 0.612 CB 1.610 50 residues pruned to eliminate duplicates Z: 68 45.220 2.326 0.897 0.392 0.881 0.642 CB 1.593 68 residues pruned to eliminate duplicates Z: 66 41.055 2.188 0.837 0.395 0.908 0.677 CB 1.558 66 residues pruned to eliminate duplicates Z: 64 44.827 2.301 0.921 0.393 0.889 0.619 CB 1.609 64 residues pruned to eliminate duplicates Z: 55 34.558 2.266 0.760 0.376 0.870 0.556 CB 1.547 55 residues pruned to eliminate duplicates Z: 94 58.077 2.270 0.993 0.446 0.903 0.602 CB 1.558 94 residues pruned to eliminate duplicates Z: 69 42.344 2.315 0.812 0.380 0.868 0.588 CB 1.604 69 residues pruned to eliminate duplicates Z: 73 40.273 2.290 0.833 0.378 0.847 0.597 CB 1.520 73 residues pruned to eliminate duplicates Z: 50 43.064 2.306 1.027 0.415 0.898 0.673 CB 1.602 50 residues pruned to eliminate duplicates Z: 19 15.677 2.234 0.671 0.315 0.778 0.556 CB 1.561 19 residues pruned to eliminate duplicates Z: 71 44.540 2.259 0.997 0.404 0.857 0.657 CB 1.523 71 residues pruned to eliminate duplicates Z: 143 78.099 2.406 0.870 0.448 0.901 0.613 CB 1.705 143 residues pruned to eliminate duplicates Z: 76 38.787 2.191 0.804 0.366 0.880 0.573 CB 1.487 76 residues pruned to eliminate duplicates Z: 62 43.404 2.275 0.834 0.421 0.902 0.574 CB 1.603 62 residues pruned to eliminate duplicates Z: 44 28.451 2.239 0.664 0.350 0.884 0.581 CB 1.550 44 residues pruned to eliminate duplicates Z: 63 44.961 2.291 0.929 0.401 0.903 0.548 CB 1.587 63 residues pruned to eliminate duplicates Z: 71 43.958 2.269 0.917 0.390 0.871 0.557 CB 1.558 71 residues pruned to eliminate duplicates Z: 23 16.737 2.259 0.674 0.304 0.773 0.500 CB 1.519 23 residues pruned to eliminate duplicates Z: 45 38.340 2.282 0.849 0.453 0.841 0.614 CB 1.710 45 residues pruned to eliminate duplicates Z: 11 12.860 2.046 0.915 0.376 0.700 0.400 CB 1.692 11 residues pruned to eliminate duplicates Z: 104 65.712 2.306 0.982 0.448 0.893 0.631 CB 1.673 104 residues pruned to eliminate duplicates Z: 80 56.715 2.256 0.978 0.469 0.899 0.582 CB 1.642 80 residues pruned to eliminate duplicates Z: 10 14.207 2.218 0.927 0.356 0.889 0.333 CB 1.456 10 residues pruned to eliminate duplicates Z: 15 25.643 2.372 1.082 0.463 0.786 0.429 CB 1.833 15 residues pruned to eliminate duplicates Z: 21 38.968 2.517 1.141 0.417 0.950 0.600 CB 1.856 21 residues pruned to eliminate duplicates Z: 102 74.081 2.424 0.929 0.463 0.931 0.614 CB 1.759 102 residues pruned to eliminate duplicates Z: 82 72.076 2.428 0.978 0.502 0.938 0.630 CB 1.774 82 residues pruned to eliminate duplicates Z: 7 8.972 2.252 0.710 0.345 0.833 0.500 CA 1.351 7 residues pruned to eliminate duplicates Z: 110 69.661 2.379 0.966 0.436 0.890 0.560 CB 1.712 110 residues pruned to eliminate duplicates Z: 18 27.983 2.271 1.225 0.365 0.882 0.412 CA 1.761 18 residues pruned to eliminate duplicates Z: 21 22.625 2.440 0.823 0.320 0.750 0.450 CB 1.849 21 residues pruned to eliminate duplicates Z: 152 81.582 2.324 0.896 0.505 0.901 0.636 CB 1.665 152 residues pruned to eliminate duplicates Z: 26 19.152 2.339 0.835 0.257 0.720 0.440 CB 1.637 26 residues pruned to eliminate duplicates Z: 23 21.913 2.413 1.133 0.292 0.727 0.409 CB 1.575 23 residues pruned to eliminate duplicates Z: 140 78.088 2.398 0.880 0.463 0.892 0.604 CB 1.711 140 residues pruned to eliminate duplicates Z: 67 66.295 2.463 0.896 0.536 0.955 0.682 CB 1.768 67 residues pruned to eliminate duplicates Z: 66 56.182 2.473 0.984 0.447 0.846 0.554 CB 1.772 66 residues pruned to eliminate duplicates Z: 39 46.979 2.458 0.966 0.518 0.868 0.579 CB 1.784 39 residues pruned to eliminate duplicates Z: 74 67.814 2.497 0.910 0.531 0.918 0.658 CB 1.759 74 residues pruned to eliminate duplicates Z: 6 6.635 1.726 1.006 0.443 1.000 0.400 CB 0.909 6 residues pruned to eliminate duplicates Z: 66 60.627 2.496 0.798 0.524 0.923 0.631 CB 1.773 66 residues pruned to eliminate duplicates Z: 38 50.127 2.489 0.896 0.521 0.946 0.649 CB 1.808 38 residues pruned to eliminate duplicates Z: 28 46.377 2.452 0.882 0.684 0.889 0.630 CB 1.838 28 residues pruned to eliminate duplicates Z: 67 58.106 2.404 0.850 0.538 0.939 0.652 CB 1.650 67 residues pruned to eliminate duplicates Z: 43 44.909 2.377 0.862 0.464 0.929 0.548 CB 1.748 43 residues pruned to eliminate duplicates Z: 63 60.557 2.474 0.852 0.556 0.935 0.677 CB 1.699 63 residues pruned to eliminate duplicates Z: 44 53.812 2.480 1.017 0.534 0.884 0.605 CB 1.796 44 residues pruned to eliminate duplicates Z: 39 46.199 2.465 0.891 0.499 0.868 0.658 CB 1.854 39 residues pruned to eliminate duplicates Z: 54 51.591 2.520 0.918 0.445 0.868 0.604 CB 1.788 54 residues pruned to eliminate duplicates Z: 58 59.057 2.428 0.872 0.567 0.947 0.632 CB 1.702 58 residues pruned to eliminate duplicates Z: 44 44.601 2.389 0.886 0.526 0.907 0.535 CB 1.623 44 residues pruned to eliminate duplicates Z: 31 43.297 2.394 0.827 0.600 0.933 0.600 CB 1.761 31 residues pruned to eliminate duplicates Z: 121 73.615 2.362 0.921 0.465 0.908 0.592 CB 1.689 121 residues pruned to eliminate duplicates Z: 57 66.773 2.485 0.908 0.578 0.982 0.696 CB 1.778 57 residues pruned to eliminate duplicates Z: 16 43.514 2.433 1.056 0.897 0.867 0.800 CB 1.854 16 residues pruned to eliminate duplicates Z: 48 46.947 2.461 0.876 0.463 0.894 0.511 CB 1.724 48 residues pruned to eliminate duplicates Z: 79 76.428 2.502 0.992 0.540 0.923 0.603 CB 1.809 79 residues pruned to eliminate duplicates Z: 17 46.534 2.321 1.091 0.897 0.938 0.812 CA 1.830 17 residues pruned to eliminate duplicates Z: 78 64.436 2.446 0.901 0.504 0.896 0.597 CB 1.757 78 residues pruned to eliminate duplicates Z: 112 69.395 2.361 0.997 0.445 0.883 0.550 CB 1.675 112 residues pruned to eliminate duplicates Z: 58 60.087 2.430 0.923 0.584 0.930 0.632 CB 1.690 58 residues pruned to eliminate duplicates Z: 57 68.929 2.496 0.966 0.603 0.964 0.696 CB 1.765 57 residues pruned to eliminate duplicates Z: 42 43.627 2.419 0.907 0.499 0.854 0.488 CB 1.732 42 residues pruned to eliminate duplicates Z: 57 67.869 2.493 0.927 0.605 0.982 0.679 CB 1.739 57 residues pruned to eliminate duplicates Z: 34 37.811 2.368 0.710 0.510 0.970 0.788 CB 1.659 34 residues pruned to eliminate duplicates Z: 67 68.997 2.463 1.041 0.533 0.970 0.636 CB 1.688 67 residues pruned to eliminate duplicates Z: 13 17.387 2.433 1.013 0.313 0.917 0.583 CB 1.374 13 residues pruned to eliminate duplicates Z: 79 66.978 2.473 0.961 0.519 0.885 0.551 CB 1.736 79 residues pruned to eliminate duplicates Z: 32 35.043 2.404 0.643 0.543 0.968 0.774 CB 1.579 32 residues pruned to eliminate duplicates Z: 57 63.341 2.453 0.895 0.612 0.982 0.661 CB 1.667 57 residues pruned to eliminate duplicates Z: 63 58.508 2.431 0.883 0.522 0.952 0.613 CB 1.668 63 residues pruned to eliminate duplicates Z: 12 22.479 2.486 1.089 0.354 1.000 0.727 CB 1.528 12 residues pruned to eliminate duplicates Z: 32 41.600 2.423 0.898 0.540 0.968 0.677 CB 1.614 32 residues pruned to eliminate duplicates Z: 55 48.404 2.413 0.896 0.544 0.889 0.704 CB 1.550 55 residues pruned to eliminate duplicates Z: 6 4.058 1.825 0.930 0.255 0.800 0.400 CB 0.853 6 residues pruned to eliminate duplicates Z: 35 37.016 2.371 0.853 0.500 0.941 0.706 CB 1.535 35 residues pruned to eliminate duplicates Z: 32 30.538 2.300 0.795 0.513 0.871 0.710 CB 1.507 32 residues pruned to eliminate duplicates Z: 17 31.322 2.298 0.616 0.744 1.000 0.812 CA 1.695 17 residues pruned to eliminate duplicates Z: 21 36.297 2.256 0.878 0.681 1.000 0.750 CB 1.622 21 residues pruned to eliminate duplicates Z: 32 40.468 2.417 0.805 0.549 0.968 0.774 CB 1.640 32 residues pruned to eliminate duplicates Z: 136 74.957 2.362 0.955 0.432 0.926 0.563 CB 1.620 136 residues pruned to eliminate duplicates Z: 32 38.208 2.380 0.887 0.537 0.935 0.645 CB 1.575 32 residues pruned to eliminate duplicates Z: 20 38.267 2.388 1.011 0.671 1.000 0.737 CB 1.561 21 residues pruned to eliminate duplicates Z: 15 30.917 2.120 0.821 0.895 1.000 0.643 CB 1.534 15 residues pruned to eliminate duplicates Z: 22 36.328 2.358 0.976 0.646 0.952 0.714 CB 1.559 21 residues pruned to eliminate duplicates Z: 15 30.272 2.162 0.609 0.916 1.000 0.786 CB 1.643 15 residues pruned to eliminate duplicates Z: 84 67.455 2.416 0.967 0.494 0.916 0.566 CB 1.711 84 residues pruned to eliminate duplicates Z: 78 66.504 2.427 1.024 0.509 0.909 0.623 CB 1.683 78 residues pruned to eliminate duplicates Z: 55 52.823 2.378 0.997 0.547 0.926 0.648 CB 1.561 55 residues pruned to eliminate duplicates Z: 22 36.789 2.263 0.901 0.649 1.000 0.762 CB 1.625 22 residues pruned to eliminate duplicates Z: 32 40.885 2.418 1.008 0.531 0.968 0.710 CB 1.516 32 residues pruned to eliminate duplicates Z: 8 8.735 2.049 0.404 0.490 0.857 0.571 CA 1.352 Z: 6 10.594 2.563 0.121 0.405 1.000 0.400 CA 1.822 3 residues pruned to eliminate duplicates Z: 7 9.496 2.176 0.419 0.432 1.000 0.667 CA 1.347 5 residues pruned to eliminate duplicates 357 residues left after pruning, divided into chains as follows: A: 6 B: 146 C: 192 D: 13 CC for partial structure against native data = 39.25 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.524, Connect. = 0.756 for dens.mod. cycle 1 = 0.300, Contrast = 0.609, Connect. = 0.787 for dens.mod. cycle 2 = 0.300, Contrast = 0.723, Connect. = 0.816 for dens.mod. cycle 3 = 0.300, Contrast = 0.738, Connect. = 0.819 for dens.mod. cycle 4 = 0.300, Contrast = 0.753, Connect. = 0.822 for dens.mod. cycle 5 = 0.300, Contrast = 0.760, Connect. = 0.824 for dens.mod. cycle 6 = 0.300, Contrast = 0.766, Connect. = 0.826 for dens.mod. cycle 7 = 0.300, Contrast = 0.769, Connect. = 0.827 for dens.mod. cycle 8 = 0.300, Contrast = 0.772, 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) 2643 peaks > 0.5 sigma used to seed fragment search Space for about 560 unique residues taking solvent into account 616 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 51 47.600 2.407 0.845 0.471 0.900 0.540 CB 1.734 B: 22 23.393 2.329 0.796 0.302 0.905 0.571 CB 1.682 22 residues pruned to eliminate duplicates C: 22 25.711 2.466 1.044 0.365 0.762 0.476 CB 1.688 23 residues pruned to eliminate duplicates D: 12 47.330 2.461 1.138 0.867 1.000 0.818 CA 1.985 E: 12 47.490 2.562 0.926 0.917 1.000 0.909 CB 2.048 12 residues pruned to eliminate duplicates F: 13 24.775 2.404 0.211 0.944 1.000 0.917 CB 1.701 G: 17 47.432 2.361 1.043 0.906 0.938 0.688 CA 1.865 18 residues pruned to eliminate duplicates H: 20 33.999 2.396 1.224 0.384 0.895 0.579 CB 1.852 20 residues pruned to eliminate duplicates I: 13 40.652 2.308 1.034 0.891 1.000 0.833 CA 1.798 13 residues pruned to eliminate duplicates J: 70 56.696 2.368 0.974 0.455 0.899 0.609 CB 1.701 12 residues pruned to eliminate duplicates K: 13 29.130 2.410 0.413 0.900 1.000 0.917 CB 1.765 13 residues pruned to eliminate duplicates L: 15 42.565 2.487 0.834 0.923 0.929 0.786 CB 1.887 15 residues pruned to eliminate duplicates M: 16 40.175 2.370 0.826 0.879 0.933 0.733 CB 1.862 16 residues pruned to eliminate duplicates N: 13 38.741 2.338 1.080 0.836 0.917 0.750 CA 1.879 13 residues pruned to eliminate duplicates O: 40 47.856 2.373 0.979 0.509 0.897 0.615 CB 1.802 39 residues pruned to eliminate duplicates P: 11 11.089 1.986 0.637 0.422 0.800 0.600 CA 1.462 Q: 21 23.795 2.422 1.050 0.316 0.800 0.600 CB 1.642 21 residues pruned to eliminate duplicates R: 12 52.795 2.584 1.115 0.927 1.000 0.818 CA 2.041 12 residues pruned to eliminate duplicates S: 24 15.509 2.259 0.845 0.292 0.696 0.435 CB 1.408 24 residues pruned to eliminate duplicates T: 71 54.091 2.296 0.953 0.463 0.929 0.586 CB 1.613 72 residues pruned to eliminate duplicates U: 13 31.543 2.297 0.846 0.839 0.917 0.917 CB 1.748 13 residues pruned to eliminate duplicates V: 125 68.440 2.354 0.795 0.471 0.895 0.589 CB 1.673 11 residues pruned to eliminate duplicates W: 21 34.561 2.399 0.669 0.651 0.950 0.800 CB 1.766 13 residues pruned to eliminate duplicates X: 14 31.203 2.301 0.572 0.882 1.000 0.846 CB 1.730 14 residues pruned to eliminate duplicates Y: 14 23.059 2.220 0.285 0.888 1.000 0.846 CB 1.615 Z: 16 46.691 2.417 0.871 0.935 1.000 0.600 CA 1.857 16 residues pruned to eliminate duplicates Z: 13 38.139 2.298 1.093 0.814 0.917 0.833 CA 1.899 13 residues pruned to eliminate duplicates Z: 6 14.432 2.240 0.498 0.787 1.000 0.600 CB 1.494 6 residues pruned to eliminate duplicates Z: 17 25.841 2.250 1.158 0.449 0.812 0.625 CA 1.726 17 residues pruned to eliminate duplicates Z: 14 34.042 2.270 0.696 0.896 1.000 0.769 CB 1.757 14 residues pruned to eliminate duplicates Z: 24 23.875 2.070 0.484 0.610 0.913 0.652 CB 1.599 38 residues pruned to eliminate duplicates Z: 35 34.277 2.155 0.916 0.597 0.824 0.706 CB 1.576 19 residues pruned to eliminate duplicates Z: 16 47.934 2.447 1.040 0.898 0.933 0.467 CB 1.900 16 residues pruned to eliminate duplicates Z: 23 25.391 2.390 0.948 0.378 0.864 0.545 CB 1.533 23 residues pruned to eliminate duplicates Z: 17 37.553 2.261 0.743 0.886 0.938 0.750 CB 1.833 17 residues pruned to eliminate duplicates Z: 7 13.216 2.257 0.698 0.539 0.833 0.667 CA 1.625 7 residues pruned to eliminate duplicates Z: 16 44.526 2.461 0.918 0.862 0.933 0.800 CB 1.916 16 residues pruned to eliminate duplicates Z: 14 29.318 2.293 0.472 0.932 1.000 0.769 CB 1.682 14 residues pruned to eliminate duplicates Z: 15 45.745 2.461 0.874 0.897 1.000 0.571 CB 1.896 15 residues pruned to eliminate duplicates Z: 17 19.888 2.345 0.541 0.434 0.812 0.562 CB 1.813 Z: 62 58.361 2.455 0.822 0.466 0.918 0.607 CB 1.885 62 residues pruned to eliminate duplicates Z: 31 40.930 2.499 0.744 0.546 0.967 0.767 CB 1.695 Z: 17 39.324 2.399 0.889 0.882 0.875 0.625 CB 1.794 17 residues pruned to eliminate duplicates Z: 32 37.644 2.237 0.865 0.613 0.871 0.839 CB 1.672 32 residues pruned to eliminate duplicates Z: 7 7.841 1.923 0.250 0.698 0.833 0.500 CB 1.334 7 residues pruned to eliminate duplicates Z: 30 42.657 2.535 0.722 0.551 0.966 0.759 CB 1.789 31 residues pruned to eliminate duplicates Z: 17 43.206 2.364 0.908 0.894 0.938 0.625 CB 1.833 17 residues pruned to eliminate duplicates Z: 14 28.658 2.276 0.355 0.937 1.000 1.000 CB 1.795 14 residues pruned to eliminate duplicates Z: 17 40.471 2.231 0.952 0.871 1.000 0.688 CB 1.694 17 residues pruned to eliminate duplicates Z: 37 55.141 2.494 0.968 0.593 0.972 0.722 CB 1.761 30 residues pruned to eliminate duplicates Z: 31 44.652 2.487 0.938 0.525 0.933 0.767 CB 1.768 31 residues pruned to eliminate duplicates Z: 51 56.036 2.430 1.021 0.544 0.900 0.580 CB 1.717 51 residues pruned to eliminate duplicates Z: 84 57.900 2.337 0.955 0.442 0.880 0.627 CB 1.679 67 residues pruned to eliminate duplicates Z: 13 37.212 2.302 0.776 0.907 1.000 1.000 CA 1.867 13 residues pruned to eliminate duplicates Z: 32 34.015 2.371 0.737 0.560 0.935 0.645 CB 1.497 32 residues pruned to eliminate duplicates Z: 16 45.416 2.378 0.890 0.910 1.000 0.667 CB 1.850 16 residues pruned to eliminate duplicates Z: 136 80.920 2.393 0.905 0.453 0.919 0.607 CB 1.746 132 residues pruned to eliminate duplicates Z: 12 54.322 2.529 1.330 0.935 1.000 0.909 CB 1.937 12 residues pruned to eliminate duplicates Z: 53 43.017 2.329 0.831 0.401 0.923 0.596 CB 1.683 53 residues pruned to eliminate duplicates Z: 16 49.333 2.362 1.042 0.917 1.000 0.733 CA 1.864 16 residues pruned to eliminate duplicates Z: 9 18.458 2.154 0.253 0.871 1.000 0.750 CA 1.763 9 residues pruned to eliminate duplicates Z: 16 36.565 2.363 0.560 0.901 1.000 0.800 CB 1.829 16 residues pruned to eliminate duplicates Z: 16 42.482 2.351 0.852 0.905 1.000 0.733 CA 1.793 16 residues pruned to eliminate duplicates Z: 15 28.840 2.123 0.608 0.899 1.000 0.929 CB 1.614 14 residues pruned to eliminate duplicates Z: 73 48.854 2.308 0.977 0.386 0.889 0.611 CB 1.603 73 residues pruned to eliminate duplicates Z: 12 15.580 1.997 0.915 0.514 0.909 0.727 CB 1.333 12 residues pruned to eliminate duplicates Z: 62 52.755 2.395 0.814 0.550 0.918 0.656 CB 1.613 62 residues pruned to eliminate duplicates Z: 55 55.375 2.414 0.932 0.556 0.944 0.593 CB 1.619 59 residues pruned to eliminate duplicates Z: 15 32.244 2.174 0.771 0.868 1.000 0.714 CB 1.636 15 residues pruned to eliminate duplicates Z: 6 13.221 2.114 0.643 0.719 1.000 1.000 CA 1.396 6 residues pruned to eliminate duplicates Z: 11 18.813 2.018 0.616 0.735 0.900 0.900 CB 1.641 11 residues pruned to eliminate duplicates Z: 30 40.123 2.548 0.622 0.557 0.966 0.793 CB 1.767 30 residues pruned to eliminate duplicates Z: 15 26.341 2.163 0.388 0.894 1.000 0.714 CA 1.682 15 residues pruned to eliminate duplicates Z: 17 20.390 2.377 0.726 0.429 0.875 0.438 CB 1.529 17 residues pruned to eliminate duplicates Z: 11 15.608 2.147 0.333 0.757 0.900 0.800 CB 1.524 11 residues pruned to eliminate duplicates Z: 15 25.190 2.119 0.431 0.902 1.000 0.929 CB 1.583 15 residues pruned to eliminate duplicates Z: 62 62.700 2.456 0.805 0.572 0.967 0.607 CB 1.746 59 residues pruned to eliminate duplicates Z: 69 54.942 2.454 0.844 0.473 0.882 0.544 CB 1.715 69 residues pruned to eliminate duplicates Z: 17 35.003 2.345 0.518 0.919 0.938 0.938 CA 1.849 17 residues pruned to eliminate duplicates Z: 89 65.498 2.389 0.968 0.448 0.920 0.682 CB 1.701 89 residues pruned to eliminate duplicates Z: 33 51.390 2.455 1.185 0.591 0.906 0.750 CB 1.713 34 residues pruned to eliminate duplicates Z: 15 30.732 2.176 0.685 0.879 1.000 0.714 CB 1.625 15 residues pruned to eliminate duplicates Z: 11 20.723 2.111 0.443 0.885 1.000 0.800 CB 1.554 11 residues pruned to eliminate duplicates Z: 9 27.512 2.325 0.729 0.833 1.000 0.875 CB 1.815 9 residues pruned to eliminate duplicates Z: 85 58.049 2.388 0.940 0.434 0.881 0.583 CB 1.661 85 residues pruned to eliminate duplicates Z: 11 6.699 2.186 0.322 0.232 0.700 0.300 CB 1.431 11 residues pruned to eliminate duplicates Z: 83 64.483 2.392 1.110 0.452 0.878 0.646 CB 1.688 83 residues pruned to eliminate duplicates Z: 89 55.501 2.296 0.928 0.447 0.875 0.602 CB 1.613 89 residues pruned to eliminate duplicates Z: 28 25.001 1.990 0.717 0.573 0.852 0.667 CB 1.541 28 residues pruned to eliminate duplicates Z: 15 37.004 2.184 0.832 0.925 1.000 0.857 CB 1.735 15 residues pruned to eliminate duplicates Z: 16 38.310 2.376 0.546 0.906 1.000 1.000 CA 1.915 16 residues pruned to eliminate duplicates Z: 72 54.369 2.332 1.105 0.397 0.887 0.648 CB 1.651 72 residues pruned to eliminate duplicates Z: 14 29.786 2.209 0.623 0.927 1.000 0.923 CB 1.614 14 residues pruned to eliminate duplicates Z: 8 9.893 2.321 0.565 0.452 0.571 0.286 CA 1.892 8 residues pruned to eliminate duplicates Z: 60 55.765 2.440 0.867 0.430 0.932 0.542 CB 1.838 60 residues pruned to eliminate duplicates Z: 8 14.266 1.866 0.678 0.651 1.000 0.571 CA 1.497 8 residues pruned to eliminate duplicates Z: 30 38.926 2.292 0.811 0.622 0.931 0.724 CB 1.668 30 residues pruned to eliminate duplicates Z: 61 38.612 2.228 0.826 0.403 0.867 0.600 CB 1.565 61 residues pruned to eliminate duplicates Z: 16 38.892 2.383 0.626 0.910 1.000 0.933 CA 1.838 16 residues pruned to eliminate duplicates Z: 15 18.672 2.277 0.864 0.461 0.714 0.500 CB 1.712 15 residues pruned to eliminate duplicates Z: 15 28.255 2.151 0.761 0.835 0.929 0.786 CB 1.607 15 residues pruned to eliminate duplicates Z: 19 39.419 2.474 0.712 0.717 1.000 0.889 CB 1.803 19 residues pruned to eliminate duplicates Z: 17 27.210 2.369 1.089 0.511 0.812 0.750 CB 1.673 17 residues pruned to eliminate duplicates Z: 14 43.148 2.190 1.222 0.946 1.000 0.846 CB 1.701 14 residues pruned to eliminate duplicates Z: 16 37.742 2.352 0.568 0.900 1.000 0.800 CA 1.888 16 residues pruned to eliminate duplicates Z: 10 10.903 2.229 0.749 0.432 0.667 0.444 CB 1.501 10 residues pruned to eliminate duplicates Z: 17 35.617 2.324 0.783 0.866 0.875 0.812 CB 1.797 17 residues pruned to eliminate duplicates Z: 63 50.588 2.453 0.840 0.480 0.903 0.581 CB 1.608 63 residues pruned to eliminate duplicates Z: 8 12.219 2.022 0.538 0.733 1.000 0.714 CB 1.204 8 residues pruned to eliminate duplicates Z: 12 28.352 2.274 1.306 0.626 1.000 0.909 CB 1.448 10 residues pruned to eliminate duplicates Z: 16 36.747 2.385 0.721 0.883 0.933 0.800 CA 1.790 16 residues pruned to eliminate duplicates Z: 21 7.960 1.872 0.555 0.312 0.750 0.550 CB 1.004 21 residues pruned to eliminate duplicates Z: 80 51.768 2.277 0.854 0.423 0.937 0.620 CB 1.596 80 residues pruned to eliminate duplicates Z: 10 18.551 2.096 0.260 0.882 1.000 0.778 CA 1.694 10 residues pruned to eliminate duplicates Z: 17 33.207 2.264 0.690 0.859 0.938 0.875 CB 1.703 17 residues pruned to eliminate duplicates Z: 14 29.549 2.279 0.514 0.938 1.000 1.000 CB 1.651 14 residues pruned to eliminate duplicates Z: 12 9.950 1.954 0.458 0.470 0.727 0.364 CA 1.492 12 residues pruned to eliminate duplicates Z: 14 30.455 2.262 0.799 0.858 0.923 0.846 CB 1.657 14 residues pruned to eliminate duplicates Z: 89 52.497 2.271 0.851 0.454 0.909 0.659 CB 1.535 89 residues pruned to eliminate duplicates Z: 15 21.068 2.126 0.121 0.872 1.000 0.714 CA 1.722 16 residues pruned to eliminate duplicates Z: 85 55.997 2.296 0.908 0.492 0.869 0.631 CB 1.618 85 residues pruned to eliminate duplicates Z: 72 48.513 2.320 0.902 0.414 0.887 0.634 CB 1.608 72 residues pruned to eliminate duplicates Z: 7 10.632 2.111 0.436 0.672 0.833 0.500 CB 1.465 7 residues pruned to eliminate duplicates Z: 13 37.062 2.329 1.009 0.840 0.917 0.833 CB 1.862 13 residues pruned to eliminate duplicates Z: 57 56.887 2.406 0.829 0.572 0.929 0.714 CB 1.735 57 residues pruned to eliminate duplicates Z: 12 36.537 2.495 0.773 0.943 1.000 0.818 CB 1.726 12 residues pruned to eliminate duplicates Z: 14 11.612 2.088 0.773 0.190 0.769 0.462 CB 1.638 14 residues pruned to eliminate duplicates Z: 9 16.486 2.293 1.040 0.565 0.875 0.875 CB 1.337 9 residues pruned to eliminate duplicates Z: 50 44.079 2.374 0.746 0.545 0.878 0.571 CB 1.657 50 residues pruned to eliminate duplicates Z: 52 49.972 2.469 0.904 0.461 0.882 0.549 CB 1.756 52 residues pruned to eliminate duplicates Z: 74 46.126 2.280 0.906 0.368 0.904 0.644 CB 1.583 74 residues pruned to eliminate duplicates Z: 47 40.036 2.188 0.996 0.437 0.913 0.674 CB 1.580 47 residues pruned to eliminate duplicates Z: 6 8.486 2.060 -0.038 0.833 1.000 0.800 CA 1.436 6 residues pruned to eliminate duplicates Z: 17 27.356 1.949 0.973 0.690 0.938 0.562 C 1.593 17 residues pruned to eliminate duplicates Z: 10 23.306 2.290 0.373 0.870 1.000 0.778 CB 1.805 10 residues pruned to eliminate duplicates Z: 86 52.076 2.294 0.871 0.447 0.882 0.565 CB 1.576 86 residues pruned to eliminate duplicates Z: 11 14.119 2.024 0.127 0.916 1.000 0.900 CB 1.383 11 residues pruned to eliminate duplicates Z: 18 13.519 1.950 0.436 0.490 0.824 0.647 CB 1.436 Z: 12 13.970 1.896 0.130 0.914 1.000 0.818 CB 1.391 12 residues pruned to eliminate duplicates Z: 88 67.032 2.380 1.047 0.450 0.931 0.678 CB 1.668 88 residues pruned to eliminate duplicates Z: 12 47.451 2.468 1.167 0.887 1.000 0.818 CA 1.929 12 residues pruned to eliminate duplicates Z: 22 32.932 2.461 0.986 0.409 0.905 0.476 CB 1.788 22 residues pruned to eliminate duplicates Z: 21 27.770 2.278 1.001 0.458 0.900 0.650 CB 1.580 21 residues pruned to eliminate duplicates Z: 53 47.294 2.401 0.813 0.531 0.865 0.558 CB 1.689 53 residues pruned to eliminate duplicates Z: 87 58.081 2.329 0.992 0.406 0.907 0.581 CB 1.643 87 residues pruned to eliminate duplicates Z: 10 14.593 1.953 0.371 0.848 0.889 0.889 CA 1.516 10 residues pruned to eliminate duplicates Z: 16 37.055 2.359 0.629 0.903 1.000 0.800 CA 1.775 16 residues pruned to eliminate duplicates Z: 92 55.074 2.315 0.830 0.461 0.879 0.626 CB 1.614 92 residues pruned to eliminate duplicates Z: 73 49.396 2.301 0.925 0.404 0.917 0.625 CB 1.585 73 residues pruned to eliminate duplicates Z: 11 20.290 2.050 0.727 0.743 1.000 0.700 CB 1.458 11 residues pruned to eliminate duplicates Z: 15 34.911 2.163 0.865 0.888 1.000 0.857 CB 1.667 14 residues pruned to eliminate duplicates Z: 54 37.828 2.285 0.792 0.360 0.906 0.547 CB 1.629 54 residues pruned to eliminate duplicates Z: 106 64.915 2.316 1.046 0.442 0.876 0.610 CB 1.620 106 residues pruned to eliminate duplicates Z: 21 31.925 2.289 0.449 0.722 1.000 0.700 CA 1.761 21 residues pruned to eliminate duplicates Z: 110 49.122 2.203 0.674 0.433 0.881 0.606 CB 1.552 110 residues pruned to eliminate duplicates Z: 14 33.846 2.295 0.681 0.895 1.000 0.923 CB 1.744 14 residues pruned to eliminate duplicates Z: 33 46.339 2.359 1.116 0.592 0.906 0.750 CB 1.658 33 residues pruned to eliminate duplicates Z: 14 13.705 2.077 0.528 0.360 0.846 0.692 CB 1.645 14 residues pruned to eliminate duplicates Z: 15 23.502 2.163 0.238 0.887 1.000 0.929 CB 1.692 15 residues pruned to eliminate duplicates Z: 66 45.614 2.240 1.023 0.382 0.892 0.600 CB 1.587 66 residues pruned to eliminate duplicates Z: 28 48.732 2.400 0.855 0.651 0.963 0.593 CB 1.900 28 residues pruned to eliminate duplicates Z: 16 14.751 2.073 0.638 0.390 0.867 0.800 CA 1.454 8 residues pruned to eliminate duplicates Z: 73 46.964 2.304 0.935 0.384 0.889 0.569 CB 1.579 73 residues pruned to eliminate duplicates Z: 16 16.134 2.126 0.517 0.378 0.867 0.667 CA 1.698 16 residues pruned to eliminate duplicates Z: 16 18.414 2.286 0.510 0.471 0.800 0.533 CB 1.772 16 residues pruned to eliminate duplicates Z: 78 46.869 2.328 0.758 0.417 0.870 0.558 CB 1.636 78 residues pruned to eliminate duplicates Z: 9 26.909 2.497 0.850 0.635 1.000 0.875 CB 1.814 9 residues pruned to eliminate duplicates Z: 12 37.196 2.461 0.673 0.903 1.000 0.818 CB 1.941 12 residues pruned to eliminate duplicates Z: 16 40.959 2.298 0.746 0.923 1.000 0.800 CA 1.852 16 residues pruned to eliminate duplicates Z: 21 32.632 2.213 0.682 0.656 1.000 0.800 CB 1.695 21 residues pruned to eliminate duplicates Z: 19 16.434 1.989 0.687 0.377 0.833 0.667 CA 1.580 17 residues pruned to eliminate duplicates Z: 15 17.585 2.099 0.634 0.457 0.857 0.500 CB 1.671 15 residues pruned to eliminate duplicates Z: 17 24.332 2.285 1.014 0.551 0.812 0.688 CB 1.548 17 residues pruned to eliminate duplicates Z: 48 45.111 2.282 1.081 0.447 0.915 0.660 CB 1.599 48 residues pruned to eliminate duplicates Z: 99 57.996 2.311 0.934 0.422 0.867 0.592 CB 1.638 99 residues pruned to eliminate duplicates Z: 12 44.810 2.467 0.976 0.909 1.000 0.818 CA 1.967 12 residues pruned to eliminate duplicates Z: 37 33.714 2.144 0.881 0.483 0.917 0.694 CB 1.547 37 residues pruned to eliminate duplicates Z: 69 36.211 2.225 0.765 0.362 0.853 0.603 CB 1.522 69 residues pruned to eliminate duplicates Z: 8 22.419 2.298 0.570 0.868 1.000 0.714 CB 1.718 8 residues pruned to eliminate duplicates Z: 15 38.327 2.292 1.007 0.916 0.929 0.714 CB 1.694 15 residues pruned to eliminate duplicates Z: 14 11.602 1.908 0.297 0.464 0.923 0.615 CB 1.461 12 residues pruned to eliminate duplicates Z: 8 9.405 1.710 0.163 0.704 1.000 0.714 CB 1.484 8 residues pruned to eliminate duplicates Z: 28 44.575 2.387 0.766 0.585 0.963 0.704 CB 1.947 28 residues pruned to eliminate duplicates Z: 76 59.986 2.456 0.839 0.494 0.893 0.653 CB 1.728 76 residues pruned to eliminate duplicates Z: 7 11.083 1.969 0.495 0.630 1.000 0.667 CB 1.360 7 residues pruned to eliminate duplicates Z: 24 23.208 2.374 0.665 0.286 0.913 0.435 CB 1.706 24 residues pruned to eliminate duplicates Z: 90 53.593 2.308 0.976 0.406 0.876 0.618 CB 1.569 90 residues pruned to eliminate duplicates Z: 20 17.838 2.203 0.682 0.383 0.842 0.579 CB 1.486 20 residues pruned to eliminate duplicates Z: 66 47.998 2.295 0.910 0.425 0.908 0.600 CB 1.617 66 residues pruned to eliminate duplicates Z: 34 54.245 2.301 1.321 0.608 0.909 0.758 CB 1.755 34 residues pruned to eliminate duplicates Z: 9 16.450 2.101 0.331 0.845 1.000 0.750 CA 1.547 9 residues pruned to eliminate duplicates Z: 59 41.987 2.322 0.853 0.405 0.862 0.552 CB 1.642 59 residues pruned to eliminate duplicates Z: 16 22.662 2.399 0.625 0.453 0.867 0.667 CB 1.817 16 residues pruned to eliminate duplicates Z: 55 37.230 2.293 0.760 0.388 0.870 0.574 CB 1.624 55 residues pruned to eliminate duplicates Z: 11 20.516 2.274 0.526 0.624 1.000 0.400 CB 1.663 11 residues pruned to eliminate duplicates Z: 51 35.922 2.212 0.786 0.415 0.880 0.700 CB 1.597 51 residues pruned to eliminate duplicates Z: 16 14.138 2.084 0.653 0.420 0.867 0.533 CB 1.330 16 residues pruned to eliminate duplicates Z: 13 11.040 1.909 0.483 0.422 0.917 0.583 CB 1.331 18 residues pruned to eliminate duplicates Z: 103 56.938 2.277 0.838 0.462 0.882 0.657 CB 1.587 103 residues pruned to eliminate duplicates Z: 33 34.186 2.169 0.725 0.641 0.875 0.750 CB 1.619 33 residues pruned to eliminate duplicates Z: 11 20.730 2.101 0.739 0.777 0.900 0.700 CB 1.561 11 residues pruned to eliminate duplicates Z: 14 36.394 2.243 0.861 0.913 1.000 0.769 CB 1.711 14 residues pruned to eliminate duplicates Z: 14 12.908 1.947 0.924 0.429 0.769 0.538 CB 1.337 14 residues pruned to eliminate duplicates Z: 13 15.283 1.774 0.362 0.917 1.000 0.917 CB 1.288 13 residues pruned to eliminate duplicates Z: 10 18.985 2.124 0.492 0.898 1.000 0.889 CA 1.428 10 residues pruned to eliminate duplicates Z: 15 27.876 2.196 1.071 0.639 0.929 0.571 CB 1.549 15 residues pruned to eliminate duplicates Z: 73 42.727 2.224 0.844 0.390 0.875 0.625 CB 1.576 73 residues pruned to eliminate duplicates Z: 7 12.470 2.210 0.583 0.647 1.000 0.500 CB 1.269 7 residues pruned to eliminate duplicates Z: 50 40.092 2.223 0.884 0.441 0.898 0.694 CB 1.618 50 residues pruned to eliminate duplicates Z: 24 12.398 2.057 0.658 0.244 0.783 0.609 CB 1.303 24 residues pruned to eliminate duplicates Z: 6 3.972 1.673 0.980 0.277 0.600 0.600 C 1.150 6 residues pruned to eliminate duplicates Z: 65 63.850 2.477 0.758 0.545 0.953 0.609 CB 1.840 65 residues pruned to eliminate duplicates Z: 12 22.499 1.946 0.620 0.929 1.000 0.909 CB 1.506 12 residues pruned to eliminate duplicates Z: 80 70.005 2.509 0.847 0.516 0.924 0.557 CB 1.811 80 residues pruned to eliminate duplicates Z: 11 21.597 2.061 0.679 0.898 0.900 0.800 CB 1.568 11 residues pruned to eliminate duplicates Z: 27 24.811 2.292 0.999 0.318 0.769 0.538 CB 1.687 27 residues pruned to eliminate duplicates Z: 10 12.078 2.208 0.353 0.429 0.778 0.444 CA 1.865 11 residues pruned to eliminate duplicates Z: 13 16.951 1.846 0.396 0.905 1.000 0.917 CA 1.351 13 residues pruned to eliminate duplicates Z: 63 38.233 2.191 0.750 0.400 0.887 0.565 CB 1.586 63 residues pruned to eliminate duplicates Z: 9 8.182 1.840 0.517 0.596 0.750 0.750 CB 1.261 8 residues pruned to eliminate duplicates Z: 10 16.693 2.165 1.144 0.565 0.778 0.778 CB 1.447 10 residues pruned to eliminate duplicates Z: 11 20.955 2.062 0.422 0.905 1.000 0.900 CB 1.608 11 residues pruned to eliminate duplicates Z: 20 25.709 2.284 0.602 0.688 0.842 0.632 CB 1.612 20 residues pruned to eliminate duplicates Z: 8 18.610 2.328 0.630 0.752 1.000 0.429 CB 1.480 8 residues pruned to eliminate duplicates Z: 21 17.276 2.085 0.975 0.336 0.800 0.450 CB 1.403 21 residues pruned to eliminate duplicates Z: 47 38.876 2.165 1.020 0.411 0.913 0.630 CB 1.575 47 residues pruned to eliminate duplicates Z: 14 33.347 2.201 0.746 0.911 1.000 0.923 CB 1.707 14 residues pruned to eliminate duplicates Z: 6 5.335 1.567 0.364 0.666 0.800 0.400 CA 1.197 6 residues pruned to eliminate duplicates Z: 47 59.613 2.457 1.119 0.567 0.891 0.652 CB 1.775 47 residues pruned to eliminate duplicates Z: 16 15.786 2.255 0.951 0.322 0.733 0.533 CB 1.537 16 residues pruned to eliminate duplicates Z: 66 38.978 2.280 0.854 0.386 0.831 0.538 CB 1.555 66 residues pruned to eliminate duplicates Z: 78 62.849 2.379 0.865 0.505 0.922 0.649 CB 1.741 78 residues pruned to eliminate duplicates Z: 12 20.767 1.895 0.662 0.932 1.000 0.909 CB 1.388 12 residues pruned to eliminate duplicates Z: 11 19.396 2.053 0.541 0.916 1.000 0.900 CB 1.369 11 residues pruned to eliminate duplicates Z: 11 18.084 1.849 0.773 0.875 1.000 0.900 CA 1.270 11 residues pruned to eliminate duplicates Z: 16 46.173 2.554 1.013 0.750 0.933 0.733 CB 1.987 16 residues pruned to eliminate duplicates Z: 11 15.975 2.079 0.089 0.902 1.000 0.900 CB 1.592 11 residues pruned to eliminate duplicates Z: 12 45.796 2.421 1.120 0.902 1.000 0.909 CA 1.919 12 residues pruned to eliminate duplicates Z: 7 10.212 1.941 0.566 0.692 0.833 0.500 CB 1.381 7 residues pruned to eliminate duplicates Z: 17 45.174 2.317 0.915 0.926 1.000 0.688 CB 1.785 17 residues pruned to eliminate duplicates Z: 12 20.319 1.926 0.875 0.793 0.909 0.727 CA 1.443 12 residues pruned to eliminate duplicates Z: 79 63.183 2.430 0.960 0.509 0.872 0.577 CB 1.708 79 residues pruned to eliminate duplicates Z: 76 44.023 2.290 0.855 0.378 0.867 0.600 CB 1.572 76 residues pruned to eliminate duplicates Z: 43 48.361 2.427 0.787 0.515 0.952 0.595 CB 1.779 43 residues pruned to eliminate duplicates Z: 32 40.830 2.334 0.887 0.601 0.903 0.548 CB 1.674 32 residues pruned to eliminate duplicates Z: 14 33.191 2.161 0.804 0.905 1.000 0.769 CB 1.680 14 residues pruned to eliminate duplicates Z: 49 41.851 2.266 0.809 0.437 0.958 0.646 CB 1.641 49 residues pruned to eliminate duplicates Z: 67 54.910 2.319 0.909 0.483 0.939 0.606 CB 1.653 67 residues pruned to eliminate duplicates Z: 13 28.726 2.323 0.539 0.853 0.917 0.917 CA 1.870 13 residues pruned to eliminate duplicates Z: 19 18.451 2.027 0.540 0.640 0.833 0.667 CB 1.467 19 residues pruned to eliminate duplicates Z: 46 36.715 2.322 0.734 0.441 0.822 0.533 CB 1.757 46 residues pruned to eliminate duplicates Z: 68 40.220 2.225 0.825 0.382 0.881 0.567 CB 1.557 68 residues pruned to eliminate duplicates Z: 23 37.000 2.371 1.056 0.608 0.864 0.636 CB 1.692 23 residues pruned to eliminate duplicates Z: 42 46.239 2.397 1.054 0.480 0.927 0.537 CB 1.616 42 residues pruned to eliminate duplicates Z: 27 38.119 2.482 0.566 0.626 0.962 0.885 CB 1.776 27 residues pruned to eliminate duplicates Z: 12 20.428 1.877 0.523 0.927 1.000 0.818 CB 1.509 12 residues pruned to eliminate duplicates Z: 42 47.970 2.319 0.895 0.549 0.927 0.634 CB 1.754 42 residues pruned to eliminate duplicates Z: 10 14.118 2.062 0.231 0.790 0.889 0.889 CB 1.617 10 residues pruned to eliminate duplicates Z: 12 6.945 1.669 0.581 0.404 0.818 0.545 CB 1.074 Z: 29 48.203 2.382 1.339 0.599 0.893 0.643 CB 1.666 29 residues pruned to eliminate duplicates Z: 26 34.672 2.366 0.574 0.664 0.920 0.760 CB 1.739 26 residues pruned to eliminate duplicates Z: 6 5.868 1.560 0.341 0.536 1.000 0.400 C 1.211 6 residues pruned to eliminate duplicates Z: 18 24.174 2.442 0.844 0.414 0.765 0.412 CB 1.863 18 residues pruned to eliminate duplicates Z: 21 30.660 2.332 0.691 0.667 0.950 0.750 CB 1.569 21 residues pruned to eliminate duplicates Z: 18 12.881 1.936 0.587 0.408 0.824 0.647 CA 1.359 18 residues pruned to eliminate duplicates Z: 36 25.777 2.304 0.777 0.340 0.771 0.457 CB 1.642 36 residues pruned to eliminate duplicates Z: 13 16.910 1.841 0.512 0.863 0.917 0.750 CA 1.405 13 residues pruned to eliminate duplicates Z: 9 17.649 2.068 1.315 0.525 1.000 0.875 CB 1.271 9 residues pruned to eliminate duplicates Z: 14 36.205 2.247 0.914 0.939 1.000 0.923 CB 1.623 14 residues pruned to eliminate duplicates Z: 11 6.695 1.814 0.141 0.394 0.900 0.400 CB 1.272 11 residues pruned to eliminate duplicates Z: 6 7.029 1.956 0.899 0.480 0.800 0.600 N 1.079 6 residues pruned to eliminate duplicates Z: 16 18.717 2.310 0.686 0.421 0.800 0.733 CB 1.683 16 residues pruned to eliminate duplicates Z: 15 17.066 2.043 0.636 0.408 0.929 0.714 CB 1.618 15 residues pruned to eliminate duplicates Z: 33 44.524 2.391 0.814 0.614 0.969 0.531 CB 1.681 33 residues pruned to eliminate duplicates Z: 14 29.878 2.219 0.581 0.898 1.000 0.615 CB 1.689 14 residues pruned to eliminate duplicates Z: 59 59.182 2.429 0.798 0.553 0.966 0.586 CB 1.750 59 residues pruned to eliminate duplicates Z: 7 6.923 2.031 0.890 0.443 0.833 0.333 CB 0.937 7 residues pruned to eliminate duplicates Z: 15 49.616 2.467 0.967 0.937 1.000 0.786 CB 1.902 15 residues pruned to eliminate duplicates Z: 15 47.383 2.428 0.872 0.937 1.000 0.714 CB 1.940 15 residues pruned to eliminate duplicates Z: 13 36.133 2.347 0.891 0.944 1.000 0.750 CB 1.627 14 residues pruned to eliminate duplicates Z: 28 52.617 2.463 0.854 0.699 1.000 0.556 CB 1.850 28 residues pruned to eliminate duplicates Z: 78 65.348 2.320 1.016 0.527 0.935 0.688 CB 1.659 78 residues pruned to eliminate duplicates Z: 21 15.546 2.162 0.719 0.278 0.750 0.450 CB 1.604 21 residues pruned to eliminate duplicates Z: 9 18.530 1.994 0.743 0.666 1.000 0.500 CB 1.616 9 residues pruned to eliminate duplicates Z: 14 30.172 2.241 0.857 0.845 0.923 0.769 CB 1.620 14 residues pruned to eliminate duplicates Z: 15 37.509 2.127 1.056 0.929 1.000 0.929 CB 1.604 15 residues pruned to eliminate duplicates Z: 82 50.348 2.300 0.653 0.475 0.901 0.642 CB 1.675 82 residues pruned to eliminate duplicates Z: 44 40.810 2.227 0.958 0.454 0.953 0.651 CB 1.568 44 residues pruned to eliminate duplicates Z: 6 2.322 1.727 0.035 0.299 0.600 0.600 CB 1.212 6 residues pruned to eliminate duplicates Z: 22 22.425 2.079 0.656 0.457 0.905 0.667 CB 1.642 22 residues pruned to eliminate duplicates Z: 45 45.886 2.373 0.826 0.492 0.886 0.659 CB 1.817 45 residues pruned to eliminate duplicates Z: 73 65.225 2.441 0.957 0.510 0.917 0.708 CB 1.737 73 residues pruned to eliminate duplicates Z: 33 36.683 2.230 0.920 0.548 0.906 0.625 CB 1.595 33 residues pruned to eliminate duplicates Z: 45 42.698 2.420 0.851 0.494 0.864 0.545 CB 1.675 45 residues pruned to eliminate duplicates Z: 8 26.840 2.133 1.462 0.779 1.000 0.714 CB 1.510 8 residues pruned to eliminate duplicates Z: 16 29.003 2.223 1.196 0.583 0.933 0.800 CB 1.517 16 residues pruned to eliminate duplicates Z: 11 17.377 1.796 0.457 0.818 1.000 0.900 C 1.593 11 residues pruned to eliminate duplicates Z: 6 9.492 1.869 0.798 0.539 0.800 0.800 N 1.521 Z: 7 4.160 1.925 0.724 0.552 0.667 0.667 CB 0.730 Z: 14 16.702 2.063 0.773 0.436 0.846 0.769 CA 1.599 14 residues pruned to eliminate duplicates Z: 76 51.723 2.341 1.018 0.410 0.867 0.653 CB 1.603 82 residues pruned to eliminate duplicates Z: 89 59.069 2.359 0.886 0.444 0.886 0.602 CB 1.691 89 residues pruned to eliminate duplicates Z: 12 19.587 1.820 0.796 0.880 1.000 0.727 CB 1.308 12 residues pruned to eliminate duplicates Z: 23 29.779 2.210 0.485 0.626 1.000 0.773 CB 1.719 22 residues pruned to eliminate duplicates Z: 15 40.750 2.420 0.795 0.903 1.000 0.857 CB 1.787 15 residues pruned to eliminate duplicates Z: 135 70.293 2.325 0.803 0.477 0.918 0.679 CB 1.615 135 residues pruned to eliminate duplicates Z: 8 14.899 2.025 0.579 0.836 1.000 1.000 CA 1.318 8 residues pruned to eliminate duplicates Z: 16 25.457 2.289 0.490 0.732 0.933 0.800 CB 1.676 16 residues pruned to eliminate duplicates Z: 14 22.334 2.110 0.485 0.847 0.923 0.846 CB 1.590 14 residues pruned to eliminate duplicates Z: 56 41.506 2.280 0.686 0.476 0.909 0.491 CB 1.640 56 residues pruned to eliminate duplicates Z: 83 59.823 2.384 0.994 0.464 0.866 0.683 CB 1.664 83 residues pruned to eliminate duplicates Z: 6 7.411 1.792 0.635 0.572 0.800 0.600 CA 1.318 6 residues pruned to eliminate duplicates Z: 58 54.036 2.425 0.696 0.555 0.947 0.719 CB 1.742 58 residues pruned to eliminate duplicates Z: 14 36.479 2.214 1.029 0.947 1.000 0.769 CB 1.557 14 residues pruned to eliminate duplicates Z: 14 13.897 1.949 1.116 0.613 0.846 0.615 CB 0.992 14 residues pruned to eliminate duplicates Z: 12 14.317 2.279 0.391 0.260 1.000 0.545 CA 1.792 12 residues pruned to eliminate duplicates Z: 11 19.219 2.125 0.433 0.821 1.000 0.700 CB 1.511 11 residues pruned to eliminate duplicates Z: 19 22.349 2.234 0.809 0.438 0.778 0.667 CB 1.787 19 residues pruned to eliminate duplicates Z: 6 2.579 1.486 0.331 0.484 0.600 0.600 CB 0.987 5 residues pruned to eliminate duplicates Z: 20 24.753 2.173 0.774 0.471 0.947 0.421 CB 1.601 20 residues pruned to eliminate duplicates Z: 14 33.575 2.193 0.817 0.934 1.000 0.846 CB 1.629 15 residues pruned to eliminate duplicates Z: 7 3.318 1.522 0.372 0.562 0.833 0.500 CB 0.733 7 residues pruned to eliminate duplicates Z: 14 35.933 2.228 1.031 0.897 1.000 0.846 CB 1.576 14 residues pruned to eliminate duplicates Z: 38 47.876 2.303 1.133 0.508 0.919 0.595 CB 1.730 38 residues pruned to eliminate duplicates Z: 8 13.286 1.989 0.635 0.626 0.857 0.714 CA 1.600 8 residues pruned to eliminate duplicates Z: 65 42.137 2.260 0.819 0.407 0.891 0.578 CB 1.586 65 residues pruned to eliminate duplicates Z: 20 22.882 2.340 0.958 0.328 0.947 0.632 CB 1.460 20 residues pruned to eliminate duplicates Z: 7 12.691 1.901 0.518 0.667 1.000 0.500 CA 1.539 7 residues pruned to eliminate duplicates Z: 17 19.305 2.196 0.610 0.432 0.875 0.688 CA 1.674 17 residues pruned to eliminate duplicates Z: 39 41.513 2.232 0.714 0.612 0.947 0.632 CB 1.671 39 residues pruned to eliminate duplicates Z: 16 28.136 2.052 0.633 0.872 1.000 0.867 CB 1.580 16 residues pruned to eliminate duplicates Z: 6 10.416 2.242 0.269 0.476 1.000 0.800 CB 1.676 6 residues pruned to eliminate duplicates Z: 16 24.899 2.159 1.074 0.581 0.933 0.733 CB 1.423 16 residues pruned to eliminate duplicates Z: 20 21.233 2.181 0.811 0.513 0.789 0.526 CB 1.542 20 residues pruned to eliminate duplicates Z: 12 18.996 1.811 0.686 0.922 1.000 0.909 CB 1.318 12 residues pruned to eliminate duplicates Z: 53 45.487 2.311 0.923 0.431 0.904 0.635 CB 1.686 53 residues pruned to eliminate duplicates Z: 57 57.199 2.467 0.876 0.520 0.911 0.571 CB 1.777 57 residues pruned to eliminate duplicates Z: 67 45.097 2.216 0.839 0.437 0.939 0.636 CB 1.548 67 residues pruned to eliminate duplicates Z: 58 46.419 2.256 0.872 0.485 0.930 0.561 CB 1.589 58 residues pruned to eliminate duplicates Z: 48 55.715 2.473 0.910 0.516 0.979 0.574 CB 1.731 48 residues pruned to eliminate duplicates Z: 15 27.595 2.210 0.366 0.917 1.000 0.786 CB 1.724 15 residues pruned to eliminate duplicates Z: 11 26.301 2.141 0.993 0.736 0.900 0.500 CB 1.751 11 residues pruned to eliminate duplicates Z: 14 10.449 1.884 0.533 0.448 0.846 0.692 CB 1.251 14 residues pruned to eliminate duplicates Z: 9 4.094 1.588 0.989 0.434 0.750 0.500 CB 0.654 9 residues pruned to eliminate duplicates Z: 7 8.346 1.833 0.576 0.534 0.833 0.833 CB 1.369 7 residues pruned to eliminate duplicates Z: 105 52.750 2.250 0.797 0.430 0.865 0.625 CB 1.590 105 residues pruned to eliminate duplicates Z: 19 12.733 2.231 0.481 0.310 0.778 0.500 CB 1.441 19 residues pruned to eliminate duplicates Z: 62 43.969 2.297 0.882 0.434 0.885 0.656 CB 1.575 62 residues pruned to eliminate duplicates Z: 15 18.947 1.977 0.498 0.845 0.929 0.786 CB 1.369 15 residues pruned to eliminate duplicates Z: 15 27.500 2.414 1.425 0.462 0.786 0.714 CB 1.661 15 residues pruned to eliminate duplicates Z: 34 43.468 2.415 1.025 0.474 0.970 0.455 CB 1.638 34 residues pruned to eliminate duplicates Z: 15 19.609 2.316 0.755 0.414 0.857 0.500 CB 1.645 15 residues pruned to eliminate duplicates Z: 6 13.641 1.935 0.705 0.580 1.000 0.600 CA 1.712 6 residues pruned to eliminate duplicates Z: 15 17.949 2.157 0.992 0.434 0.786 0.643 CB 1.521 15 residues pruned to eliminate duplicates Z: 33 54.384 2.521 1.241 0.548 0.875 0.719 CB 1.856 33 residues pruned to eliminate duplicates Z: 9 5.932 1.848 0.491 0.373 1.000 0.500 CB 0.872 9 residues pruned to eliminate duplicates Z: 80 60.038 2.340 1.020 0.462 0.873 0.633 CB 1.700 80 residues pruned to eliminate duplicates Z: 39 58.062 2.498 0.937 0.589 0.974 0.553 CB 1.836 39 residues pruned to eliminate duplicates Z: 29 32.036 2.429 0.657 0.412 0.929 0.571 CB 1.776 29 residues pruned to eliminate duplicates Z: 23 18.722 2.291 0.708 0.329 0.773 0.591 CB 1.592 23 residues pruned to eliminate duplicates Z: 34 53.012 2.485 1.152 0.558 0.879 0.758 CB 1.855 34 residues pruned to eliminate duplicates Z: 31 22.709 2.030 0.824 0.361 0.900 0.633 CB 1.445 31 residues pruned to eliminate duplicates Z: 8 19.199 2.067 1.081 0.651 1.000 0.571 CA 1.466 8 residues pruned to eliminate duplicates Z: 14 4.776 1.743 0.241 0.258 0.769 0.462 CA 1.050 14 residues pruned to eliminate duplicates Z: 11 15.284 2.241 0.938 0.405 0.700 0.600 CB 1.757 11 residues pruned to eliminate duplicates Z: 21 33.212 2.359 0.730 0.652 0.900 0.650 CB 1.755 21 residues pruned to eliminate duplicates Z: 99 60.088 2.301 0.910 0.467 0.898 0.602 CB 1.590 99 residues pruned to eliminate duplicates Z: 90 63.521 2.370 0.989 0.442 0.888 0.607 CB 1.708 90 residues pruned to eliminate duplicates Z: 13 6.017 1.875 0.430 0.216 0.750 0.417 CB 1.207 13 residues pruned to eliminate duplicates Z: 6 11.675 2.118 0.281 0.716 1.000 0.400 CA 1.582 6 residues pruned to eliminate duplicates Z: 71 48.088 2.315 0.910 0.407 0.871 0.614 CB 1.646 71 residues pruned to eliminate duplicates Z: 20 33.274 2.331 0.631 0.685 1.000 0.842 CB 1.695 20 residues pruned to eliminate duplicates Z: 11 15.567 1.934 0.290 0.897 1.000 0.900 CB 1.413 11 residues pruned to eliminate duplicates Z: 9 18.556 2.300 0.751 0.653 1.000 1.000 CB 1.413 9 residues pruned to eliminate duplicates Z: 23 25.408 2.170 0.870 0.564 0.818 0.727 CB 1.533 23 residues pruned to eliminate duplicates Z: 32 36.711 2.209 0.821 0.589 0.903 0.742 CB 1.666 32 residues pruned to eliminate duplicates Z: 79 45.727 2.225 0.822 0.448 0.885 0.577 CB 1.522 79 residues pruned to eliminate duplicates Z: 7 5.862 1.881 0.209 0.527 0.833 0.667 CB 1.229 7 residues pruned to eliminate duplicates Z: 25 27.888 2.497 0.911 0.390 0.875 0.667 CB 1.532 25 residues pruned to eliminate duplicates Z: 69 42.602 2.295 0.941 0.381 0.838 0.618 CB 1.570 69 residues pruned to eliminate duplicates Z: 112 59.054 2.333 0.889 0.382 0.856 0.541 CB 1.685 112 residues pruned to eliminate duplicates Z: 101 51.170 2.283 0.841 0.379 0.870 0.560 CB 1.592 101 residues pruned to eliminate duplicates Z: 16 17.198 2.160 0.977 0.463 0.733 0.667 CB 1.473 16 residues pruned to eliminate duplicates Z: 34 32.109 2.168 0.755 0.589 0.848 0.788 CB 1.591 34 residues pruned to eliminate duplicates Z: 22 14.921 2.177 0.433 0.332 0.810 0.476 CA 1.549 22 residues pruned to eliminate duplicates Z: 7 8.965 1.996 0.494 0.636 0.833 0.833 CB 1.296 Z: 6 2.812 2.080 -0.035 0.215 0.600 0.200 CB 1.460 6 residues pruned to eliminate duplicates Z: 24 34.434 2.256 0.824 0.606 0.957 0.739 CB 1.649 24 residues pruned to eliminate duplicates Z: 12 17.502 2.318 0.953 0.317 0.818 0.545 CB 1.744 Z: 28 33.025 2.436 0.836 0.387 0.889 0.556 CB 1.802 28 residues pruned to eliminate duplicates Z: 26 43.522 2.423 0.780 0.684 0.960 0.600 CB 1.776 26 residues pruned to eliminate duplicates Z: 84 64.479 2.347 1.056 0.455 0.928 0.651 CB 1.656 84 residues pruned to eliminate duplicates Z: 15 20.227 2.185 1.160 0.351 0.929 0.643 CB 1.449 15 residues pruned to eliminate duplicates Z: 24 36.304 2.624 1.036 0.384 0.913 0.652 CB 1.755 24 residues pruned to eliminate duplicates Z: 48 40.784 2.273 0.966 0.444 0.894 0.681 CB 1.578 48 residues pruned to eliminate duplicates Z: 23 21.182 2.266 0.714 0.381 0.818 0.545 CB 1.613 23 residues pruned to eliminate duplicates Z: 36 26.397 2.292 0.793 0.316 0.800 0.514 CB 1.663 48 residues pruned to eliminate duplicates Z: 24 31.449 2.500 0.770 0.400 0.957 0.609 CB 1.722 24 residues pruned to eliminate duplicates Z: 6 8.221 1.653 0.863 0.423 1.000 0.800 O 1.294 6 residues pruned to eliminate duplicates Z: 42 32.552 2.117 0.758 0.447 0.927 0.659 CB 1.556 42 residues pruned to eliminate duplicates Z: 12 18.393 1.934 0.461 0.900 1.000 0.727 CA 1.402 12 residues pruned to eliminate duplicates Z: 10 17.543 2.030 0.450 0.919 1.000 1.000 CA 1.400 10 residues pruned to eliminate duplicates Z: 6 11.174 1.934 0.622 0.804 1.000 1.000 CB 1.222 7 residues pruned to eliminate duplicates Z: 6 4.709 1.658 0.415 0.611 0.800 0.600 CB 1.010 6 residues pruned to eliminate duplicates Z: 6 7.458 1.811 1.083 0.831 1.000 0.600 CB 0.665 Z: 63 56.229 2.478 0.905 0.490 0.887 0.548 CB 1.722 63 residues pruned to eliminate duplicates Z: 41 36.391 2.263 0.947 0.425 0.900 0.625 CB 1.569 41 residues pruned to eliminate duplicates Z: 70 59.763 2.336 1.056 0.474 0.899 0.609 CB 1.712 70 residues pruned to eliminate duplicates Z: 25 24.703 2.374 0.749 0.307 0.875 0.417 CB 1.719 25 residues pruned to eliminate duplicates Z: 28 40.471 2.223 0.865 0.608 1.000 0.519 CB 1.695 28 residues pruned to eliminate duplicates Z: 7 10.483 1.615 1.217 0.828 1.000 0.833 CB 0.900 Z: 63 44.653 2.301 0.778 0.410 0.919 0.613 CB 1.656 63 residues pruned to eliminate duplicates Z: 7 3.192 1.420 -0.184 0.477 1.000 0.500 CA 1.152 Z: 8 15.924 1.979 0.809 0.708 1.000 0.571 CA 1.391 8 residues pruned to eliminate duplicates Z: 38 37.069 2.388 0.776 0.424 0.919 0.568 CB 1.693 38 residues pruned to eliminate duplicates Z: 22 13.564 2.034 0.894 0.292 0.762 0.524 CB 1.272 22 residues pruned to eliminate duplicates 6 1.367 1.299 0.013 0.331 1.000 0.600 N 0.559 ? Z: 17 21.972 2.180 0.783 0.478 0.875 0.688 CB 1.651 18 residues pruned to eliminate duplicates Z: 25 44.044 2.410 0.849 0.669 1.000 0.500 CB 1.726 25 residues pruned to eliminate duplicates Z: 30 43.166 2.236 1.058 0.615 0.931 0.828 CB 1.678 30 residues pruned to eliminate duplicates Z: 17 18.225 2.013 0.404 0.736 0.875 0.812 CA 1.491 17 residues pruned to eliminate duplicates Z: 13 42.581 2.254 1.171 0.916 1.000 0.667 CA 1.774 13 residues pruned to eliminate duplicates Z: 15 16.019 2.072 0.897 0.474 0.786 0.714 CB 1.423 14 residues pruned to eliminate duplicates Z: 49 57.970 2.422 0.883 0.581 0.958 0.792 CB 1.771 49 residues pruned to eliminate duplicates Z: 18 30.624 2.407 0.949 0.476 0.882 0.647 CA 1.838 18 residues pruned to eliminate duplicates Z: 6 2.199 1.613 0.188 0.314 0.600 0.400 C 1.050 Z: 35 53.728 2.324 1.265 0.583 0.941 0.735 CB 1.718 35 residues pruned to eliminate duplicates Z: 41 28.104 2.235 0.688 0.357 0.850 0.400 CB 1.616 41 residues pruned to eliminate duplicates Z: 11 11.451 1.923 0.407 0.655 0.900 0.500 CB 1.287 11 residues pruned to eliminate duplicates Z: 44 55.173 2.443 1.023 0.546 0.930 0.628 CB 1.750 44 residues pruned to eliminate duplicates Z: 108 65.358 2.360 0.934 0.411 0.888 0.542 CB 1.711 108 residues pruned to eliminate duplicates Z: 6 4.745 1.539 0.678 0.645 0.800 0.800 CB 0.897 Z: 26 30.578 2.277 0.740 0.546 0.960 0.800 CB 1.536 26 residues pruned to eliminate duplicates Z: 42 37.435 2.307 0.747 0.442 0.927 0.634 CB 1.661 42 residues pruned to eliminate duplicates Z: 17 26.899 2.344 1.024 0.542 0.875 0.812 CB 1.555 17 residues pruned to eliminate duplicates Z: 15 19.616 2.251 0.624 0.453 1.000 0.429 CB 1.505 15 residues pruned to eliminate duplicates Z: 37 44.663 2.477 0.682 0.510 0.972 0.750 CB 1.819 37 residues pruned to eliminate duplicates Z: 27 23.588 2.069 1.193 0.443 0.846 0.692 CB 1.278 27 residues pruned to eliminate duplicates Z: 18 17.014 2.031 0.965 0.431 0.882 0.706 CB 1.259 18 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 19 17.562 2.245 0.677 0.337 0.889 0.556 CB 1.477 19 residues pruned to eliminate duplicates Z: 24 14.101 2.280 0.405 0.232 0.870 0.348 CB 1.441 24 residues pruned to eliminate duplicates Z: 94 46.960 2.185 0.880 0.390 0.882 0.624 CB 1.510 94 residues pruned to eliminate duplicates Z: 12 16.244 2.241 0.686 0.372 1.000 0.727 CB 1.487 12 residues pruned to eliminate duplicates Z: 89 56.290 2.329 0.879 0.438 0.898 0.580 CB 1.629 89 residues pruned to eliminate duplicates Z: 32 61.266 2.470 1.235 0.644 0.935 0.645 CB 1.862 32 residues pruned to eliminate duplicates Z: 33 44.645 2.459 1.076 0.593 0.875 0.656 CB 1.617 33 residues pruned to eliminate duplicates Z: 69 49.896 2.363 0.834 0.450 0.897 0.662 CB 1.638 69 residues pruned to eliminate duplicates Z: 17 45.221 2.460 1.131 0.721 0.875 0.750 CB 2.018 17 residues pruned to eliminate duplicates Z: 52 59.090 2.443 0.992 0.544 0.922 0.608 CB 1.767 52 residues pruned to eliminate duplicates Z: 22 47.609 2.529 1.308 0.624 0.857 0.667 CB 1.848 22 residues pruned to eliminate duplicates Z: 36 58.912 2.459 1.347 0.599 0.886 0.743 CB 1.772 39 residues pruned to eliminate duplicates Z: 13 47.205 2.380 1.147 0.918 1.000 0.833 CA 1.881 13 residues pruned to eliminate duplicates Z: 67 58.392 2.374 0.933 0.466 0.939 0.606 CB 1.727 67 residues pruned to eliminate duplicates Z: 17 49.907 2.555 1.386 0.727 0.875 0.812 CB 1.907 17 residues pruned to eliminate duplicates Z: 19 45.630 2.383 1.285 0.684 0.944 0.611 CB 1.766 19 residues pruned to eliminate duplicates Z: 18 51.926 2.490 1.388 0.729 0.941 0.765 CB 1.832 18 residues pruned to eliminate duplicates Z: 69 54.665 2.364 0.967 0.446 0.926 0.574 CB 1.626 69 residues pruned to eliminate duplicates Z: 82 61.705 2.341 0.984 0.481 0.901 0.605 CB 1.669 82 residues pruned to eliminate duplicates Z: 12 8.966 2.132 1.033 0.197 0.727 0.455 CB 1.232 12 residues pruned to eliminate duplicates Z: 36 41.684 2.352 0.996 0.484 0.914 0.571 CB 1.669 36 residues pruned to eliminate duplicates Z: 122 71.799 2.361 0.935 0.466 0.893 0.603 CB 1.657 122 residues pruned to eliminate duplicates Z: 71 43.803 2.302 0.863 0.383 0.857 0.500 CB 1.614 71 residues pruned to eliminate duplicates Z: 36 39.707 2.332 0.985 0.484 0.914 0.600 CB 1.611 36 residues pruned to eliminate duplicates Z: 46 44.102 2.288 1.009 0.439 0.956 0.733 CB 1.594 46 residues pruned to eliminate duplicates Z: 64 60.643 2.348 1.120 0.495 0.937 0.619 CB 1.648 64 residues pruned to eliminate duplicates Z: 85 54.157 2.342 0.907 0.388 0.893 0.571 CB 1.669 85 residues pruned to eliminate duplicates Z: 76 46.170 2.323 0.919 0.369 0.853 0.573 CB 1.612 76 residues pruned to eliminate duplicates Z: 37 38.433 2.301 0.944 0.478 0.944 0.611 CB 1.550 37 residues pruned to eliminate duplicates Z: 49 38.481 2.193 0.929 0.403 0.917 0.667 CB 1.585 49 residues pruned to eliminate duplicates Z: 70 54.766 2.343 0.981 0.473 0.899 0.696 CB 1.625 70 residues pruned to eliminate duplicates Z: 55 42.296 2.263 0.931 0.395 0.926 0.556 CB 1.590 55 residues pruned to eliminate duplicates Z: 52 39.718 2.295 0.893 0.396 0.902 0.686 CB 1.585 52 residues pruned to eliminate duplicates Z: 50 38.472 2.232 0.851 0.406 0.918 0.633 CB 1.599 50 residues pruned to eliminate duplicates Z: 89 60.481 2.365 0.992 0.445 0.864 0.648 CB 1.676 89 residues pruned to eliminate duplicates Z: 33 37.360 2.338 0.887 0.490 0.906 0.562 CB 1.669 33 residues pruned to eliminate duplicates Z: 63 57.581 2.345 1.029 0.499 0.919 0.661 CB 1.674 63 residues pruned to eliminate duplicates Z: 53 59.202 2.422 1.062 0.566 0.904 0.654 CB 1.707 53 residues pruned to eliminate duplicates Z: 38 38.547 2.340 0.949 0.471 0.892 0.541 CB 1.605 38 residues pruned to eliminate duplicates Z: 70 42.908 2.261 0.881 0.402 0.870 0.594 CB 1.549 70 residues pruned to eliminate duplicates Z: 76 45.892 2.341 0.917 0.369 0.853 0.560 CB 1.592 76 residues pruned to eliminate duplicates Z: 53 38.518 2.223 0.870 0.390 0.885 0.673 CB 1.633 53 residues pruned to eliminate duplicates Z: 67 47.787 2.196 0.960 0.436 0.924 0.606 CB 1.579 67 residues pruned to eliminate duplicates Z: 54 38.392 2.261 0.925 0.380 0.887 0.623 CB 1.553 54 residues pruned to eliminate duplicates Z: 54 39.211 2.390 1.027 0.340 0.755 0.509 CB 1.753 54 residues pruned to eliminate duplicates Z: 77 54.286 2.386 0.967 0.415 0.842 0.553 CB 1.722 77 residues pruned to eliminate duplicates Z: 46 41.515 2.272 1.043 0.412 0.844 0.533 CB 1.731 46 residues pruned to eliminate duplicates Z: 10 6.209 1.881 0.580 0.173 0.778 0.444 CB 1.329 10 residues pruned to eliminate duplicates Z: 35 20.010 2.274 0.689 0.296 0.765 0.500 CB 1.467 35 residues pruned to eliminate duplicates Z: 132 66.103 2.313 0.812 0.461 0.885 0.595 CB 1.618 132 residues pruned to eliminate duplicates Z: 84 72.738 2.396 1.161 0.501 0.892 0.675 CB 1.728 84 residues pruned to eliminate duplicates Z: 85 59.289 2.370 0.981 0.443 0.893 0.643 CB 1.637 85 residues pruned to eliminate duplicates Z: 71 44.647 2.279 0.874 0.401 0.857 0.614 CB 1.619 71 residues pruned to eliminate duplicates Z: 76 45.123 2.278 0.949 0.378 0.867 0.627 CB 1.542 76 residues pruned to eliminate duplicates Z: 86 58.180 2.329 1.015 0.432 0.882 0.565 CB 1.636 86 residues pruned to eliminate duplicates Z: 65 49.114 2.277 0.957 0.431 0.906 0.609 CB 1.633 65 residues pruned to eliminate duplicates Z: 62 53.146 2.337 1.041 0.438 0.918 0.689 CB 1.656 62 residues pruned to eliminate duplicates Z: 68 47.368 2.327 0.856 0.395 0.896 0.582 CB 1.672 68 residues pruned to eliminate duplicates Z: 90 56.743 2.358 0.937 0.387 0.888 0.607 CB 1.671 90 residues pruned to eliminate duplicates Z: 30 23.362 2.334 0.695 0.299 0.828 0.448 CB 1.659 30 residues pruned to eliminate duplicates Z: 88 65.000 2.382 1.041 0.447 0.897 0.621 CB 1.688 88 residues pruned to eliminate duplicates Z: 69 49.034 2.304 0.902 0.403 0.897 0.647 CB 1.674 69 residues pruned to eliminate duplicates Z: 71 51.067 2.278 1.036 0.392 0.900 0.614 CB 1.639 71 residues pruned to eliminate duplicates Z: 71 49.228 2.324 0.949 0.392 0.900 0.629 CB 1.617 71 residues pruned to eliminate duplicates Z: 76 46.425 2.290 0.881 0.374 0.907 0.587 CB 1.571 76 residues pruned to eliminate duplicates Z: 68 44.992 2.280 0.893 0.366 0.896 0.597 CB 1.643 68 residues pruned to eliminate duplicates Z: 18 15.984 2.338 0.560 0.311 0.824 0.471 CB 1.591 18 residues pruned to eliminate duplicates Z: 85 45.957 2.314 0.852 0.336 0.869 0.512 CB 1.611 85 residues pruned to eliminate duplicates Z: 47 31.041 2.216 0.827 0.350 0.891 0.587 CB 1.493 47 residues pruned to eliminate duplicates Z: 71 47.480 2.317 0.926 0.377 0.886 0.629 CB 1.637 71 residues pruned to eliminate duplicates Z: 39 34.711 2.353 0.728 0.473 0.895 0.684 CB 1.590 39 residues pruned to eliminate duplicates Z: 18 22.417 2.367 0.648 0.405 0.941 0.471 CB 1.637 18 residues pruned to eliminate duplicates Z: 87 57.559 2.324 0.979 0.417 0.907 0.593 CB 1.623 87 residues pruned to eliminate duplicates Z: 74 50.721 2.334 1.037 0.366 0.877 0.575 CB 1.644 74 residues pruned to eliminate duplicates Z: 132 73.406 2.376 0.886 0.441 0.885 0.573 CB 1.717 132 residues pruned to eliminate duplicates Z: 52 52.746 2.431 0.887 0.495 0.922 0.549 CB 1.756 52 residues pruned to eliminate duplicates Z: 79 69.487 2.486 0.940 0.509 0.910 0.679 CB 1.776 79 residues pruned to eliminate duplicates Z: 42 27.403 2.250 0.863 0.279 0.854 0.390 CB 1.536 42 residues pruned to eliminate duplicates Z: 67 54.273 2.359 0.738 0.557 0.879 0.591 CB 1.754 67 residues pruned to eliminate duplicates Z: 58 57.645 2.469 0.933 0.470 0.930 0.596 CB 1.775 58 residues pruned to eliminate duplicates Z: 51 44.225 2.402 0.867 0.503 0.820 0.640 CB 1.696 51 residues pruned to eliminate duplicates Z: 77 61.785 2.452 0.857 0.476 0.908 0.632 CB 1.757 77 residues pruned to eliminate duplicates Z: 49 45.948 2.402 0.796 0.456 0.917 0.521 CB 1.754 49 residues pruned to eliminate duplicates Z: 70 49.965 2.446 0.862 0.424 0.841 0.493 CB 1.700 70 residues pruned to eliminate duplicates Z: 94 66.613 2.399 1.031 0.409 0.892 0.548 CB 1.748 94 residues pruned to eliminate duplicates Z: 46 32.531 2.279 0.611 0.434 0.889 0.511 CB 1.590 46 residues pruned to eliminate duplicates Z: 50 47.606 2.460 0.844 0.498 0.857 0.510 CB 1.753 50 residues pruned to eliminate duplicates Z: 41 34.306 2.361 0.612 0.479 0.875 0.575 CB 1.664 41 residues pruned to eliminate duplicates Z: 9 10.165 2.372 0.484 0.153 0.875 0.375 CA 1.787 9 residues pruned to eliminate duplicates Z: 17 22.889 2.528 0.972 0.296 0.875 0.500 CB 1.649 17 residues pruned to eliminate duplicates Z: 55 45.944 2.426 0.783 0.430 0.907 0.537 CB 1.712 55 residues pruned to eliminate duplicates Z: 46 36.384 2.311 0.672 0.489 0.889 0.578 CB 1.596 46 residues pruned to eliminate duplicates Z: 17 5.500 2.075 0.332 0.137 0.562 0.250 CB 1.388 17 residues pruned to eliminate duplicates Z: 52 40.852 2.375 0.783 0.463 0.824 0.569 CB 1.704 52 residues pruned to eliminate duplicates Z: 71 55.587 2.439 0.734 0.508 0.886 0.643 CB 1.760 71 residues pruned to eliminate duplicates Z: 44 39.579 2.378 0.721 0.471 0.884 0.419 CB 1.718 44 residues pruned to eliminate duplicates Z: 33 39.957 2.300 0.683 0.591 0.969 0.500 CB 1.727 33 residues pruned to eliminate duplicates Z: 38 35.998 2.293 0.760 0.486 0.919 0.595 CB 1.618 38 residues pruned to eliminate duplicates Z: 44 46.569 2.464 0.745 0.483 0.953 0.651 CB 1.762 44 residues pruned to eliminate duplicates Z: 38 46.118 2.426 0.780 0.544 0.973 0.676 CB 1.728 38 residues pruned to eliminate duplicates Z: 65 54.849 2.492 0.854 0.445 0.875 0.594 CB 1.795 65 residues pruned to eliminate duplicates Z: 66 48.729 2.423 0.785 0.430 0.877 0.631 CB 1.714 66 residues pruned to eliminate duplicates Z: 43 33.762 2.359 0.649 0.438 0.881 0.452 CB 1.620 43 residues pruned to eliminate duplicates Z: 45 30.113 2.256 0.521 0.443 0.841 0.523 CB 1.669 45 residues pruned to eliminate duplicates Z: 40 43.376 2.399 0.829 0.537 0.923 0.641 CB 1.653 40 residues pruned to eliminate duplicates Z: 30 38.888 2.331 0.733 0.612 0.966 0.621 CB 1.666 30 residues pruned to eliminate duplicates Z: 54 42.827 2.340 0.607 0.471 0.906 0.547 CB 1.779 54 residues pruned to eliminate duplicates Z: 77 61.653 2.445 0.856 0.492 0.895 0.579 CB 1.755 77 residues pruned to eliminate duplicates Z: 42 43.536 2.338 0.622 0.671 0.927 0.659 CB 1.652 42 residues pruned to eliminate duplicates Z: 45 44.681 2.383 0.895 0.539 0.864 0.659 CB 1.662 45 residues pruned to eliminate duplicates Z: 34 46.011 2.344 0.751 0.605 1.000 0.606 CB 1.766 34 residues pruned to eliminate duplicates Z: 46 44.166 2.450 0.744 0.497 0.889 0.556 CB 1.739 46 residues pruned to eliminate duplicates Z: 45 51.725 2.464 0.922 0.497 0.932 0.636 CB 1.772 45 residues pruned to eliminate duplicates Z: 37 47.270 2.388 0.897 0.546 0.944 0.611 CB 1.761 37 residues pruned to eliminate duplicates Z: 55 66.031 2.517 0.854 0.584 0.981 0.704 CB 1.810 55 residues pruned to eliminate duplicates Z: 58 57.253 2.406 0.790 0.562 0.965 0.684 CB 1.718 58 residues pruned to eliminate duplicates Z: 42 46.218 2.430 0.786 0.504 0.951 0.537 CB 1.741 42 residues pruned to eliminate duplicates Z: 58 56.257 2.379 0.855 0.570 0.947 0.684 CB 1.666 58 residues pruned to eliminate duplicates Z: 46 44.993 2.446 0.745 0.468 0.911 0.644 CB 1.782 46 residues pruned to eliminate duplicates Z: 78 69.526 2.473 0.963 0.517 0.909 0.597 CB 1.765 78 residues pruned to eliminate duplicates Z: 46 51.296 2.447 0.981 0.490 0.933 0.644 CB 1.707 46 residues pruned to eliminate duplicates Z: 57 64.458 2.467 0.894 0.585 0.964 0.607 CB 1.762 57 residues pruned to eliminate duplicates Z: 36 55.002 2.524 0.937 0.560 0.971 0.514 CB 1.847 36 residues pruned to eliminate duplicates Z: 34 39.316 2.389 0.876 0.479 0.939 0.697 CB 1.661 34 residues pruned to eliminate duplicates Z: 102 66.014 2.342 1.033 0.432 0.881 0.634 CB 1.680 102 residues pruned to eliminate duplicates Z: 31 42.957 2.492 0.888 0.507 0.933 0.667 CB 1.774 31 residues pruned to eliminate duplicates Z: 65 59.539 2.471 0.817 0.517 0.922 0.688 CB 1.768 65 residues pruned to eliminate duplicates Z: 31 38.384 2.480 0.857 0.464 0.933 0.633 CB 1.691 31 residues pruned to eliminate duplicates Z: 44 53.729 2.523 0.973 0.498 0.907 0.651 CB 1.818 44 residues pruned to eliminate duplicates Z: 64 49.306 2.365 0.824 0.454 0.921 0.667 CB 1.640 64 residues pruned to eliminate duplicates Z: 76 64.484 2.452 0.941 0.505 0.893 0.547 CB 1.743 76 residues pruned to eliminate duplicates Z: 57 56.630 2.440 0.765 0.577 0.946 0.696 CB 1.724 57 residues pruned to eliminate duplicates Z: 32 41.154 2.417 0.906 0.508 0.935 0.742 CB 1.701 32 residues pruned to eliminate duplicates Z: 20 39.892 2.372 0.860 0.662 1.000 0.789 CB 1.784 20 residues pruned to eliminate duplicates Z: 20 37.400 2.427 0.798 0.677 1.000 0.895 CB 1.671 20 residues pruned to eliminate duplicates Z: 21 34.356 2.353 0.850 0.653 0.950 0.800 CB 1.610 21 residues pruned to eliminate duplicates Z: 57 56.375 2.451 0.826 0.574 0.911 0.643 CB 1.721 57 residues pruned to eliminate duplicates Z: 21 34.307 2.386 0.829 0.637 0.900 0.600 CB 1.718 21 residues pruned to eliminate duplicates Z: 31 43.328 2.485 0.848 0.545 0.933 0.733 CB 1.766 31 residues pruned to eliminate duplicates Z: 31 42.920 2.500 0.843 0.521 0.933 0.667 CB 1.784 31 residues pruned to eliminate duplicates Z: 79 62.975 2.445 0.986 0.494 0.859 0.526 CB 1.719 79 residues pruned to eliminate duplicates Z: 56 64.506 2.448 0.867 0.594 0.982 0.673 CB 1.772 56 residues pruned to eliminate duplicates Z: 38 47.056 2.418 0.887 0.548 0.919 0.757 CB 1.760 19 residues pruned to eliminate duplicates Z: 15 33.131 2.166 0.960 0.856 0.929 0.643 CB 1.657 15 residues pruned to eliminate duplicates Z: 20 36.152 2.393 0.908 0.674 0.947 0.737 CB 1.633 20 residues pruned to eliminate duplicates Z: 54 56.779 2.444 0.868 0.564 0.943 0.679 CB 1.703 54 residues pruned to eliminate duplicates Z: 31 45.098 2.452 1.086 0.523 0.933 0.633 CB 1.686 31 residues pruned to eliminate duplicates Z: 64 55.633 2.403 0.872 0.481 0.905 0.667 CB 1.756 64 residues pruned to eliminate duplicates Z: 8 7.357 1.851 0.391 0.467 0.857 0.429 CA 1.303 8 residues pruned to eliminate duplicates Z: 19 17.975 2.010 0.596 0.499 0.833 0.611 CB 1.586 19 residues pruned to eliminate duplicates Z: 6 3.628 1.800 0.022 0.322 0.800 0.600 CA 1.341 6 residues pruned to eliminate duplicates Z: 16 16.555 2.184 0.529 0.420 0.800 0.600 CA 1.739 22 residues pruned to eliminate duplicates Z: 20 16.574 2.058 0.532 0.414 0.842 0.579 CA 1.567 20 residues pruned to eliminate duplicates Z: 15 18.693 2.184 0.698 0.452 0.857 0.786 CA 1.650 15 residues pruned to eliminate duplicates Z: 17 18.298 2.090 0.602 0.405 0.875 0.562 CA 1.726 17 residues pruned to eliminate duplicates Z: 17 15.251 2.154 0.550 0.355 0.812 0.438 CA 1.645 17 residues pruned to eliminate duplicates Z: 20 15.485 1.974 0.625 0.335 0.842 0.684 CB 1.575 20 residues pruned to eliminate duplicates Z: 17 14.417 2.132 0.416 0.268 0.875 0.500 CB 1.776 17 residues pruned to eliminate duplicates Z: 18 16.653 2.110 0.590 0.329 0.882 0.647 CA 1.647 18 residues pruned to eliminate duplicates Z: 28 17.530 2.030 0.476 0.330 0.852 0.593 CA 1.593 28 residues pruned to eliminate duplicates Z: 10 10.062 1.996 0.377 0.459 0.889 0.556 CB 1.431 10 residues pruned to eliminate duplicates Z: 14 13.713 1.964 0.591 0.430 0.923 0.615 CB 1.418 14 residues pruned to eliminate duplicates Z: 13 10.147 2.012 0.437 0.354 0.833 0.667 CB 1.423 13 residues pruned to eliminate duplicates Z: 8 11.404 2.014 0.555 0.463 1.000 0.714 CB 1.429 8 residues pruned to eliminate duplicates Z: 14 13.980 1.975 0.689 0.439 0.846 0.538 CB 1.463 14 residues pruned to eliminate duplicates Z: 12 14.811 2.023 0.621 0.459 0.909 0.818 CB 1.562 12 residues pruned to eliminate duplicates Z: 13 14.064 1.985 0.527 0.445 0.917 0.750 CA 1.547 13 residues pruned to eliminate duplicates Z: 13 13.301 1.972 0.395 0.515 0.917 0.667 CB 1.501 13 residues pruned to eliminate duplicates Z: 14 13.828 1.954 0.612 0.470 0.846 0.615 CB 1.483 14 residues pruned to eliminate duplicates Z: 13 11.509 1.893 0.649 0.496 0.833 0.750 CA 1.283 13 residues pruned to eliminate duplicates Z: 21 20.686 2.140 0.729 0.511 0.850 0.650 CB 1.454 21 residues pruned to eliminate duplicates Z: 19 20.617 2.213 0.817 0.468 0.833 0.667 CB 1.499 19 residues pruned to eliminate duplicates Z: 18 28.989 2.296 0.983 0.547 0.882 0.824 CB 1.672 18 residues pruned to eliminate duplicates Z: 102 54.036 2.286 0.728 0.447 0.891 0.644 CB 1.612 102 residues pruned to eliminate duplicates Z: 17 31.680 2.405 1.173 0.530 0.938 0.875 CB 1.569 17 residues pruned to eliminate duplicates Z: 31 44.414 2.223 0.954 0.617 1.000 0.733 CB 1.671 31 residues pruned to eliminate duplicates Z: 31 34.559 2.190 0.861 0.603 0.900 0.767 CB 1.560 31 residues pruned to eliminate duplicates Z: 12 18.606 2.045 1.176 0.530 0.818 0.727 CB 1.496 12 residues pruned to eliminate duplicates Z: 12 22.595 2.159 1.050 0.567 1.000 0.818 CB 1.442 12 residues pruned to eliminate duplicates Z: 45 42.612 2.226 0.915 0.519 0.864 0.705 CB 1.713 45 residues pruned to eliminate duplicates Z: 33 39.235 2.178 0.984 0.618 0.938 0.781 CB 1.531 33 residues pruned to eliminate duplicates Z: 32 37.922 2.227 0.925 0.595 0.903 0.742 CB 1.606 32 residues pruned to eliminate duplicates Z: 22 33.028 2.204 0.755 0.692 0.952 0.857 CB 1.641 22 residues pruned to eliminate duplicates Z: 24 27.993 2.103 0.788 0.601 0.870 0.739 CB 1.621 24 residues pruned to eliminate duplicates Z: 25 21.570 2.130 1.077 0.380 0.750 0.583 CB 1.507 25 residues pruned to eliminate duplicates Z: 17 30.932 2.372 1.130 0.515 0.875 0.812 CB 1.722 17 residues pruned to eliminate duplicates Z: 21 35.591 2.221 0.832 0.673 0.950 0.750 CB 1.756 21 residues pruned to eliminate duplicates Z: 32 35.637 2.232 0.701 0.652 0.935 0.806 CB 1.564 32 residues pruned to eliminate duplicates Z: 85 45.090 2.285 0.664 0.426 0.881 0.583 CB 1.586 85 residues pruned to eliminate duplicates Z: 22 21.149 2.113 0.492 0.638 0.905 0.810 CB 1.421 22 residues pruned to eliminate duplicates Z: 32 37.262 2.142 0.810 0.614 0.935 0.710 CB 1.656 32 residues pruned to eliminate duplicates Z: 16 22.500 2.144 0.413 0.752 1.000 0.667 CB 1.532 16 residues pruned to eliminate duplicates Z: 23 33.543 2.172 0.836 0.695 0.909 0.818 CB 1.651 23 residues pruned to eliminate duplicates Z: 16 22.323 2.118 0.536 0.743 0.933 0.733 CB 1.528 16 residues pruned to eliminate duplicates Z: 22 24.459 2.196 0.604 0.596 0.905 0.714 CB 1.528 22 residues pruned to eliminate duplicates Z: 26 27.200 2.054 0.815 0.614 0.840 0.720 CB 1.559 26 residues pruned to eliminate duplicates Z: 16 27.022 2.164 0.574 0.788 0.933 0.733 CB 1.704 16 residues pruned to eliminate duplicates Z: 16 26.066 2.193 0.530 0.732 0.933 0.733 CA 1.744 16 residues pruned to eliminate duplicates Z: 17 23.860 2.119 0.572 0.718 0.938 0.688 CB 1.568 17 residues pruned to eliminate duplicates Z: 90 51.219 2.283 0.825 0.449 0.888 0.573 CB 1.548 90 residues pruned to eliminate duplicates Z: 85 53.936 2.290 0.834 0.475 0.881 0.667 CB 1.632 85 residues pruned to eliminate duplicates Z: 75 49.881 2.274 0.809 0.485 0.878 0.662 CB 1.629 75 residues pruned to eliminate duplicates Z: 72 45.600 2.280 0.776 0.413 0.873 0.606 CB 1.676 72 residues pruned to eliminate duplicates Z: 49 39.065 2.272 0.856 0.413 0.896 0.646 CB 1.635 49 residues pruned to eliminate duplicates Z: 83 48.391 2.272 0.830 0.402 0.866 0.585 CB 1.646 83 residues pruned to eliminate duplicates Z: 73 42.659 2.291 0.755 0.390 0.875 0.611 CB 1.605 73 residues pruned to eliminate duplicates Z: 62 46.959 2.255 0.778 0.495 0.918 0.639 CB 1.641 62 residues pruned to eliminate duplicates Z: 68 45.064 2.345 0.815 0.392 0.866 0.552 CB 1.676 68 residues pruned to eliminate duplicates Z: 95 49.647 2.289 0.882 0.369 0.862 0.543 CB 1.588 95 residues pruned to eliminate duplicates Z: 65 46.684 2.260 0.796 0.477 0.906 0.594 CB 1.624 65 residues pruned to eliminate duplicates Z: 80 47.016 2.269 0.800 0.433 0.873 0.532 CB 1.589 80 residues pruned to eliminate duplicates Z: 59 35.179 2.204 0.756 0.353 0.879 0.603 CB 1.592 59 residues pruned to eliminate duplicates Z: 65 44.236 2.283 0.818 0.399 0.891 0.578 CB 1.664 65 residues pruned to eliminate duplicates Z: 69 45.230 2.325 0.894 0.381 0.868 0.603 CB 1.630 69 residues pruned to eliminate duplicates Z: 50 41.480 2.320 0.857 0.436 0.918 0.653 CB 1.601 50 residues pruned to eliminate duplicates Z: 64 46.202 2.318 0.897 0.403 0.889 0.571 CB 1.650 64 residues pruned to eliminate duplicates Z: 36 26.918 2.169 0.855 0.386 0.829 0.543 CB 1.541 36 residues pruned to eliminate duplicates Z: 106 61.900 2.355 0.853 0.439 0.895 0.590 CB 1.648 106 residues pruned to eliminate duplicates Z: 49 42.572 2.253 0.861 0.437 0.958 0.625 CB 1.632 49 residues pruned to eliminate duplicates Z: 54 36.822 2.288 0.656 0.397 0.943 0.585 CB 1.577 54 residues pruned to eliminate duplicates Z: 73 49.816 2.327 0.945 0.400 0.889 0.611 CB 1.621 73 residues pruned to eliminate duplicates Z: 54 38.424 2.273 0.816 0.403 0.887 0.585 CB 1.597 54 residues pruned to eliminate duplicates Z: 57 43.060 2.265 0.913 0.414 0.929 0.643 CB 1.564 57 residues pruned to eliminate duplicates Z: 50 40.388 2.299 0.785 0.437 0.918 0.673 CB 1.634 50 residues pruned to eliminate duplicates Z: 55 38.568 2.266 0.781 0.406 0.907 0.574 CB 1.581 55 residues pruned to eliminate duplicates Z: 97 49.404 2.255 0.838 0.411 0.844 0.583 CB 1.583 97 residues pruned to eliminate duplicates Z: 73 39.895 2.277 0.773 0.384 0.875 0.611 CB 1.505 73 residues pruned to eliminate duplicates Z: 51 41.431 2.262 0.849 0.424 0.920 0.660 CB 1.647 51 residues pruned to eliminate duplicates Z: 73 50.835 2.301 0.841 0.441 0.917 0.583 CB 1.638 73 residues pruned to eliminate duplicates Z: 64 47.810 2.248 0.857 0.503 0.905 0.683 CB 1.591 64 residues pruned to eliminate duplicates Z: 55 35.983 2.259 0.653 0.393 0.944 0.630 CB 1.556 55 residues pruned to eliminate duplicates Z: 65 46.343 2.356 0.876 0.406 0.891 0.641 CB 1.625 65 residues pruned to eliminate duplicates Z: 54 35.650 2.258 0.702 0.394 0.925 0.623 CB 1.542 54 residues pruned to eliminate duplicates Z: 84 45.978 2.288 0.805 0.362 0.892 0.614 CB 1.591 84 residues pruned to eliminate duplicates Z: 80 38.241 2.228 0.757 0.337 0.873 0.608 CB 1.503 80 residues pruned to eliminate duplicates Z: 73 46.071 2.306 0.879 0.386 0.903 0.625 CB 1.568 73 residues pruned to eliminate duplicates Z: 65 41.563 2.290 0.944 0.372 0.859 0.609 CB 1.558 65 residues pruned to eliminate duplicates Z: 64 43.502 2.292 0.843 0.389 0.889 0.571 CB 1.641 64 residues pruned to eliminate duplicates Z: 72 43.953 2.325 0.884 0.371 0.873 0.620 CB 1.565 72 residues pruned to eliminate duplicates Z: 28 23.363 2.267 0.749 0.309 0.852 0.630 CB 1.645 28 residues pruned to eliminate duplicates Z: 68 47.290 2.333 0.949 0.390 0.896 0.642 CB 1.595 68 residues pruned to eliminate duplicates Z: 77 41.524 2.288 0.793 0.355 0.842 0.579 CB 1.613 77 residues pruned to eliminate duplicates Z: 62 43.482 2.236 0.910 0.390 0.902 0.557 CB 1.625 62 residues pruned to eliminate duplicates Z: 72 43.898 2.301 0.898 0.371 0.873 0.577 CB 1.569 72 residues pruned to eliminate duplicates Z: 65 42.160 2.226 0.827 0.423 0.891 0.578 CB 1.576 65 residues pruned to eliminate duplicates Z: 72 45.050 2.308 0.838 0.388 0.887 0.592 CB 1.600 72 residues pruned to eliminate duplicates Z: 40 35.222 2.303 0.835 0.403 0.897 0.564 CB 1.647 40 residues pruned to eliminate duplicates Z: 92 49.539 2.268 0.885 0.403 0.868 0.670 CB 1.549 92 residues pruned to eliminate duplicates Z: 35 25.265 2.240 0.701 0.325 0.824 0.529 CB 1.674 35 residues pruned to eliminate duplicates Z: 88 53.073 2.270 0.943 0.417 0.874 0.632 CB 1.610 88 residues pruned to eliminate duplicates Z: 77 43.013 2.240 0.902 0.388 0.855 0.671 CB 1.525 77 residues pruned to eliminate duplicates Z: 65 42.340 2.292 0.904 0.395 0.859 0.578 CB 1.577 65 residues pruned to eliminate duplicates Z: 27 24.007 2.268 0.799 0.319 0.846 0.577 CB 1.666 27 residues pruned to eliminate duplicates Z: 78 47.531 2.231 0.895 0.415 0.909 0.584 CB 1.540 78 residues pruned to eliminate duplicates Z: 59 49.638 2.369 0.961 0.426 0.897 0.603 CB 1.689 59 residues pruned to eliminate duplicates Z: 59 44.538 2.331 0.879 0.403 0.897 0.638 CB 1.649 59 residues pruned to eliminate duplicates Z: 27 27.135 2.269 0.831 0.370 0.885 0.654 CB 1.665 27 residues pruned to eliminate duplicates Z: 113 49.179 2.252 0.772 0.389 0.839 0.562 CB 1.561 113 residues pruned to eliminate duplicates Z: 63 46.007 2.306 0.920 0.412 0.903 0.581 CB 1.602 63 residues pruned to eliminate duplicates Z: 70 40.249 2.248 0.855 0.356 0.855 0.609 CB 1.588 70 residues pruned to eliminate duplicates Z: 71 42.775 2.246 0.847 0.382 0.843 0.543 CB 1.657 71 residues pruned to eliminate duplicates Z: 70 47.511 2.254 0.911 0.375 0.913 0.565 CB 1.662 70 residues pruned to eliminate duplicates Z: 51 60.997 2.488 0.943 0.505 0.920 0.600 CB 1.930 51 residues pruned to eliminate duplicates Z: 91 65.466 2.462 0.769 0.461 0.911 0.622 CB 1.810 91 residues pruned to eliminate duplicates Z: 94 56.667 2.306 0.916 0.382 0.892 0.559 CB 1.689 94 residues pruned to eliminate duplicates Z: 64 57.949 2.423 0.772 0.544 0.905 0.603 CB 1.801 64 residues pruned to eliminate duplicates Z: 139 80.080 2.401 0.871 0.452 0.920 0.601 CB 1.732 139 residues pruned to eliminate duplicates Z: 53 54.090 2.455 0.885 0.506 0.885 0.596 CB 1.822 53 residues pruned to eliminate duplicates Z: 95 54.304 2.261 0.974 0.387 0.862 0.564 CB 1.642 95 residues pruned to eliminate duplicates Z: 72 49.700 2.335 0.820 0.406 0.901 0.507 CB 1.699 72 residues pruned to eliminate duplicates Z: 124 71.022 2.333 0.884 0.453 0.902 0.602 CB 1.695 124 residues pruned to eliminate duplicates Z: 74 68.880 2.500 0.903 0.517 0.904 0.644 CB 1.843 74 residues pruned to eliminate duplicates Z: 82 68.833 2.457 0.836 0.505 0.938 0.580 CB 1.797 82 residues pruned to eliminate duplicates Z: 77 72.248 2.498 0.859 0.518 0.947 0.618 CB 1.849 77 residues pruned to eliminate duplicates Z: 76 65.997 2.458 0.881 0.492 0.920 0.560 CB 1.805 76 residues pruned to eliminate duplicates Z: 86 65.597 2.446 0.847 0.491 0.871 0.647 CB 1.826 86 residues pruned to eliminate duplicates Z: 50 55.963 2.476 1.055 0.510 0.837 0.531 CB 1.859 50 residues pruned to eliminate duplicates Z: 168 86.268 2.367 0.905 0.462 0.898 0.605 CB 1.714 168 residues pruned to eliminate duplicates Z: 12 13.118 2.356 0.688 0.227 0.727 0.273 CA 1.880 12 residues pruned to eliminate duplicates Z: 68 54.086 2.464 0.857 0.395 0.881 0.493 CB 1.833 68 residues pruned to eliminate duplicates Z: 152 75.435 2.323 0.823 0.413 0.914 0.563 CB 1.738 152 residues pruned to eliminate duplicates Z: 48 37.955 2.371 0.875 0.313 0.872 0.447 CB 1.756 48 residues pruned to eliminate duplicates Z: 50 56.426 2.475 0.898 0.533 0.878 0.612 CB 1.893 50 residues pruned to eliminate duplicates Z: 52 55.335 2.460 0.942 0.488 0.882 0.569 CB 1.861 52 residues pruned to eliminate duplicates Z: 94 67.145 2.450 0.884 0.476 0.860 0.570 CB 1.797 94 residues pruned to eliminate duplicates Z: 51 56.170 2.457 0.942 0.517 0.880 0.600 CB 1.859 51 residues pruned to eliminate duplicates Z: 37 47.323 2.335 0.789 0.576 1.000 0.639 CB 1.755 53 residues pruned to eliminate duplicates Z: 52 45.504 2.382 0.817 0.443 0.863 0.569 CB 1.809 52 residues pruned to eliminate duplicates Z: 39 47.979 2.407 0.830 0.491 0.921 0.605 CB 1.936 39 residues pruned to eliminate duplicates Z: 29 46.223 2.444 0.802 0.662 0.929 0.643 CB 1.839 29 residues pruned to eliminate duplicates Z: 44 56.451 2.466 0.933 0.533 0.953 0.628 CB 1.833 44 residues pruned to eliminate duplicates Z: 66 57.101 2.401 0.696 0.525 0.969 0.631 CB 1.751 66 residues pruned to eliminate duplicates Z: 29 44.092 2.416 0.748 0.665 0.893 0.643 CB 1.897 29 residues pruned to eliminate duplicates Z: 50 43.287 2.417 0.733 0.463 0.857 0.551 CB 1.788 50 residues pruned to eliminate duplicates Z: 29 42.791 2.429 0.803 0.650 0.893 0.571 CB 1.799 29 residues pruned to eliminate duplicates Z: 37 50.278 2.521 0.756 0.548 0.972 0.556 CB 1.857 37 residues pruned to eliminate duplicates Z: 52 56.620 2.424 0.918 0.533 0.941 0.549 CB 1.754 52 residues pruned to eliminate duplicates Z: 29 50.677 2.462 0.860 0.638 1.000 0.643 CB 1.837 29 residues pruned to eliminate duplicates Z: 51 51.772 2.418 0.843 0.497 0.900 0.640 CB 1.832 51 residues pruned to eliminate duplicates Z: 56 60.959 2.453 0.916 0.508 0.909 0.564 CB 1.909 56 residues pruned to eliminate duplicates Z: 39 35.005 2.291 0.671 0.496 0.895 0.579 CB 1.665 39 residues pruned to eliminate duplicates Z: 49 54.690 2.493 0.882 0.516 0.875 0.542 CB 1.892 49 residues pruned to eliminate duplicates Z: 29 47.724 2.430 0.964 0.648 0.929 0.500 CB 1.772 29 residues pruned to eliminate duplicates Z: 68 57.145 2.422 0.770 0.539 0.896 0.716 CB 1.749 68 residues pruned to eliminate duplicates Z: 44 47.265 2.484 0.899 0.506 0.884 0.605 CB 1.718 44 residues pruned to eliminate duplicates Z: 58 60.765 2.450 0.822 0.562 0.965 0.561 CB 1.760 58 residues pruned to eliminate duplicates Z: 71 72.587 2.523 0.909 0.516 0.957 0.643 CB 1.853 71 residues pruned to eliminate duplicates Z: 46 52.065 2.440 0.905 0.476 0.956 0.556 CB 1.790 46 residues pruned to eliminate duplicates Z: 36 45.231 2.360 1.001 0.558 0.914 0.457 CB 1.674 36 residues pruned to eliminate duplicates Z: 75 68.170 2.478 0.907 0.503 0.932 0.581 CB 1.793 75 residues pruned to eliminate duplicates Z: 75 58.361 2.428 0.899 0.455 0.919 0.514 CB 1.677 75 residues pruned to eliminate duplicates Z: 57 65.296 2.499 0.833 0.587 0.982 0.571 CB 1.784 57 residues pruned to eliminate duplicates Z: 30 31.127 2.356 0.902 0.426 0.862 0.690 CB 1.615 30 residues pruned to eliminate duplicates Z: 31 42.674 2.509 0.847 0.519 0.967 0.733 CB 1.707 31 residues pruned to eliminate duplicates Z: 31 42.761 2.505 0.764 0.554 0.967 0.867 CB 1.735 31 residues pruned to eliminate duplicates Z: 60 54.930 2.462 1.020 0.451 0.898 0.542 CB 1.684 60 residues pruned to eliminate duplicates Z: 43 45.636 2.462 1.013 0.451 0.905 0.548 CB 1.651 43 residues pruned to eliminate duplicates Z: 79 72.883 2.480 0.958 0.536 0.923 0.615 CB 1.777 79 residues pruned to eliminate duplicates Z: 79 70.711 2.479 0.926 0.539 0.910 0.641 CB 1.772 79 residues pruned to eliminate duplicates Z: 54 56.654 2.415 0.922 0.546 0.962 0.660 CB 1.665 54 residues pruned to eliminate duplicates Z: 32 37.971 2.430 0.765 0.546 0.935 0.710 CB 1.625 32 residues pruned to eliminate duplicates Z: 62 42.392 2.268 0.847 0.415 0.836 0.574 CB 1.694 62 residues pruned to eliminate duplicates Z: 20 32.173 2.448 0.680 0.660 0.947 0.789 CB 1.633 20 residues pruned to eliminate duplicates Z: 21 32.477 2.416 0.593 0.664 0.900 0.750 CB 1.802 21 residues pruned to eliminate duplicates Z: 80 60.505 2.417 0.838 0.491 0.899 0.570 CB 1.721 80 residues pruned to eliminate duplicates Z: 21 32.531 2.387 0.656 0.669 0.950 0.700 CB 1.658 21 residues pruned to eliminate duplicates Z: 32 39.368 2.445 0.860 0.541 0.968 0.710 CB 1.544 32 residues pruned to eliminate duplicates Z: 90 63.563 2.431 0.846 0.488 0.888 0.584 CB 1.712 90 residues pruned to eliminate duplicates Z: 57 67.035 2.489 0.888 0.612 0.982 0.661 CB 1.746 57 residues pruned to eliminate duplicates Z: 32 40.605 2.439 0.881 0.540 0.935 0.645 CB 1.634 32 residues pruned to eliminate duplicates Z: 20 37.284 2.474 0.855 0.685 0.947 0.789 CB 1.660 20 residues pruned to eliminate duplicates Z: 32 38.118 2.453 0.953 0.528 0.903 0.645 CB 1.539 32 residues pruned to eliminate duplicates Z: 30 46.933 2.557 0.921 0.564 0.966 0.690 CB 1.728 30 residues pruned to eliminate duplicates Z: 21 41.889 2.410 1.045 0.674 0.950 0.700 CB 1.704 21 residues pruned to eliminate duplicates Z: 32 46.123 2.495 1.011 0.543 0.935 0.710 CB 1.692 32 residues pruned to eliminate duplicates Z: 31 44.793 2.483 0.935 0.571 0.933 0.567 CB 1.702 31 residues pruned to eliminate duplicates Z: 22 39.346 2.323 1.031 0.702 1.000 0.810 CB 1.514 22 residues pruned to eliminate duplicates Z: 33 44.577 2.437 1.024 0.530 0.938 0.750 CB 1.655 33 residues pruned to eliminate duplicates Z: 17 20.930 2.220 0.596 0.469 0.938 0.750 CA 1.626 Z: 6 2.625 1.543 0.270 0.279 0.800 0.800 N 0.962 6 residues pruned to eliminate duplicates Z: 17 24.520 2.352 0.863 0.443 0.875 0.688 CA 1.695 16 residues pruned to eliminate duplicates Z: 6 7.596 2.405 0.090 0.443 0.800 0.800 CB 1.718 6 residues pruned to eliminate duplicates Z: 17 17.037 2.318 0.488 0.384 0.812 0.500 CB 1.719 17 residues pruned to eliminate duplicates Z: 18 18.355 2.248 0.660 0.429 0.765 0.588 CA 1.679 18 residues pruned to eliminate duplicates Z: 6 6.283 2.032 0.571 0.374 0.800 0.600 CA 1.259 6 residues pruned to eliminate duplicates Z: 17 24.337 2.379 0.676 0.448 0.875 0.625 CA 1.838 17 residues pruned to eliminate duplicates Z: 17 13.339 2.227 0.439 0.307 0.812 0.625 CB 1.587 17 residues pruned to eliminate duplicates 376 residues left after pruning, divided into chains as follows: A: 169 B: 191 C: 16 CC for partial structure against native data = 41.30 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.529, Connect. = 0.759 for dens.mod. cycle 1 = 0.300, Contrast = 0.612, Connect. = 0.789 for dens.mod. cycle 2 = 0.300, Contrast = 0.728, Connect. = 0.817 for dens.mod. cycle 3 = 0.300, Contrast = 0.742, Connect. = 0.820 for dens.mod. cycle 4 = 0.300, Contrast = 0.757, Connect. = 0.822 for dens.mod. cycle 5 = 0.300, Contrast = 0.762, Connect. = 0.824 for dens.mod. cycle 6 = 0.300, Contrast = 0.769, Connect. = 0.825 for dens.mod. cycle 7 = 0.300, Contrast = 0.771, Connect. = 0.826 for dens.mod. cycle 8 = 0.300, Contrast = 0.773, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.774, Connect. = 0.828 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2657 peaks > 0.5 sigma used to seed fragment search Space for about 560 unique residues taking solvent into account 612 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 77 50.277 2.392 0.764 0.462 0.855 0.658 CB 1.661 B: 16 23.548 2.244 1.114 0.440 0.867 0.600 CB 1.574 14 residues pruned to eliminate duplicates C: 12 50.952 2.566 1.098 0.913 1.000 0.818 CA 2.020 D: 13 35.343 2.343 0.981 0.833 0.917 0.750 CB 1.800 13 residues pruned to eliminate duplicates E: 52 49.319 2.413 0.836 0.479 0.922 0.627 CB 1.727 51 residues pruned to eliminate duplicates F: 16 46.241 2.400 1.033 0.913 0.933 0.733 CB 1.856 16 residues pruned to eliminate duplicates G: 13 37.595 2.378 1.059 0.856 0.917 0.833 CB 1.784 13 residues pruned to eliminate duplicates H: 15 23.835 2.171 0.278 0.890 1.000 0.857 CB 1.652 15 residues pruned to eliminate duplicates I: 15 44.127 2.442 0.939 0.937 0.929 0.643 CB 1.867 15 residues pruned to eliminate duplicates J: 79 73.199 2.467 0.939 0.520 0.949 0.667 CB 1.791 80 residues pruned to eliminate duplicates K: 83 57.212 2.399 0.925 0.439 0.841 0.622 CB 1.732 12 residues pruned to eliminate duplicates L: 82 62.227 2.411 1.005 0.473 0.852 0.642 CB 1.725 80 residues pruned to eliminate duplicates M: 14 26.419 2.253 0.447 0.895 1.000 1.000 CB 1.612 14 residues pruned to eliminate duplicates N: 13 35.971 2.351 0.989 0.857 0.917 0.833 CB 1.785 13 residues pruned to eliminate duplicates O: 14 41.742 2.265 0.951 0.897 1.000 0.769 CA 1.875 14 residues pruned to eliminate duplicates P: 51 50.530 2.437 0.844 0.506 0.900 0.580 CB 1.756 51 residues pruned to eliminate duplicates Q: 24 25.259 2.414 0.692 0.376 0.826 0.565 CB 1.783 9 residues pruned to eliminate duplicates R: 12 45.515 2.528 0.991 0.883 1.000 0.909 CA 1.972 12 residues pruned to eliminate duplicates S: 15 32.574 2.535 1.160 0.454 0.857 0.714 CB 1.943 15 residues pruned to eliminate duplicates T: 8 13.100 2.127 0.980 0.516 0.714 0.571 CA 1.619 8 residues pruned to eliminate duplicates U: 17 20.160 2.547 0.992 0.297 0.750 0.562 CB 1.661 17 residues pruned to eliminate duplicates V: 23 29.616 2.586 1.215 0.354 0.773 0.636 CB 1.672 23 residues pruned to eliminate duplicates W: 28 35.181 2.331 0.956 0.491 0.926 0.630 CB 1.619 28 residues pruned to eliminate duplicates X: 8 10.526 1.895 0.540 0.654 0.857 0.429 CB 1.379 Y: 14 41.726 2.205 1.092 0.900 1.000 0.923 C 1.792 14 residues pruned to eliminate duplicates Z: 15 25.254 2.177 0.348 0.928 1.000 0.929 CB 1.610 Z: 30 41.879 2.545 0.692 0.561 0.966 0.724 CB 1.764 30 residues pruned to eliminate duplicates Z: 11 13.949 2.069 0.840 0.430 0.800 0.500 CA 1.557 11 residues pruned to eliminate duplicates Z: 28 22.678 1.958 0.575 0.558 0.852 0.593 CB 1.570 15 residues pruned to eliminate duplicates Z: 26 29.307 2.267 0.798 0.420 0.920 0.680 CB 1.701 26 residues pruned to eliminate duplicates Z: 15 31.277 2.333 1.398 0.539 0.857 0.643 CB 1.677 24 residues pruned to eliminate duplicates Z: 65 59.244 2.461 1.054 0.467 0.891 0.500 CB 1.701 15 residues pruned to eliminate duplicates Z: 16 38.362 2.377 0.802 0.879 0.933 0.533 CB 1.797 16 residues pruned to eliminate duplicates Z: 13 9.574 1.827 0.631 0.343 0.750 0.500 CA 1.467 13 residues pruned to eliminate duplicates Z: 14 31.716 2.260 0.563 0.942 1.000 0.769 CB 1.726 Z: 8 10.768 2.060 0.215 0.685 1.000 0.714 CA 1.373 8 residues pruned to eliminate duplicates Z: 16 41.481 2.379 0.876 0.911 0.933 0.733 CB 1.823 16 residues pruned to eliminate duplicates Z: 12 25.647 2.100 1.388 0.603 0.818 0.727 CA 1.709 12 residues pruned to eliminate duplicates Z: 8 20.963 2.312 1.343 0.559 0.857 0.857 CB 1.612 Z: 10 36.367 2.546 1.220 0.697 1.000 0.889 CB 1.792 10 residues pruned to eliminate duplicates Z: 19 17.151 2.220 0.667 0.384 0.778 0.556 CB 1.589 19 residues pruned to eliminate duplicates Z: 22 18.681 2.319 0.950 0.254 0.714 0.381 CB 1.675 22 residues pruned to eliminate duplicates Z: 8 12.499 2.075 0.433 0.714 1.000 0.714 CB 1.308 8 residues pruned to eliminate duplicates Z: 17 35.333 2.356 0.634 0.888 0.938 0.750 CB 1.763 17 residues pruned to eliminate duplicates Z: 15 27.719 2.156 0.432 0.929 1.000 0.929 CA 1.679 15 residues pruned to eliminate duplicates Z: 17 40.928 2.341 0.897 0.895 0.938 0.812 CB 1.762 17 residues pruned to eliminate duplicates Z: 49 41.586 2.289 0.819 0.432 0.938 0.646 CB 1.650 8 residues pruned to eliminate duplicates Z: 51 45.396 2.403 0.870 0.482 0.860 0.620 CB 1.692 51 residues pruned to eliminate duplicates Z: 16 38.929 2.410 0.833 0.907 0.867 0.800 CB 1.865 16 residues pruned to eliminate duplicates Z: 17 31.903 2.317 0.590 0.861 0.938 0.812 CB 1.697 17 residues pruned to eliminate duplicates Z: 36 47.465 2.431 0.907 0.600 0.943 0.600 CB 1.668 36 residues pruned to eliminate duplicates Z: 21 28.165 2.254 1.211 0.441 0.900 0.600 CB 1.493 21 residues pruned to eliminate duplicates Z: 43 37.489 2.376 0.841 0.421 0.905 0.476 CB 1.586 43 residues pruned to eliminate duplicates Z: 10 14.972 1.970 0.336 0.839 0.889 0.778 CA 1.593 10 residues pruned to eliminate duplicates Z: 16 42.481 2.411 0.895 0.912 0.933 0.733 CA 1.821 16 residues pruned to eliminate duplicates Z: 11 23.795 2.001 0.726 0.838 1.000 0.700 CB 1.627 11 residues pruned to eliminate duplicates Z: 13 34.452 2.351 0.945 0.843 0.917 0.833 CB 1.766 13 residues pruned to eliminate duplicates Z: 14 25.939 2.209 0.415 0.903 1.000 0.846 CB 1.640 13 residues pruned to eliminate duplicates Z: 16 37.548 2.382 0.572 0.908 1.000 0.667 CB 1.838 16 residues pruned to eliminate duplicates Z: 30 39.873 2.501 0.720 0.567 0.966 0.759 CB 1.672 33 residues pruned to eliminate duplicates Z: 16 42.777 2.439 0.910 0.912 0.933 0.800 CB 1.799 16 residues pruned to eliminate duplicates Z: 26 17.655 2.256 0.573 0.311 0.800 0.480 CB 1.533 13 residues pruned to eliminate duplicates Z: 61 58.337 2.466 1.034 0.508 0.900 0.583 CB 1.655 61 residues pruned to eliminate duplicates Z: 16 29.146 2.115 0.555 0.921 1.000 0.733 CB 1.611 15 residues pruned to eliminate duplicates Z: 32 42.615 2.462 0.952 0.536 0.968 0.774 CB 1.588 33 residues pruned to eliminate duplicates Z: 13 42.725 2.321 1.253 0.935 0.917 0.750 CA 1.793 13 residues pruned to eliminate duplicates Z: 13 38.635 2.226 1.118 0.879 1.000 0.833 C 1.716 13 residues pruned to eliminate duplicates Z: 20 24.163 2.401 0.919 0.328 0.842 0.421 CB 1.726 20 residues pruned to eliminate duplicates Z: 65 54.136 2.331 0.829 0.517 0.891 0.594 CB 1.753 65 residues pruned to eliminate duplicates Z: 19 27.344 2.328 1.041 0.500 0.833 0.556 CB 1.628 8 residues pruned to eliminate duplicates Z: 10 21.589 2.089 0.723 0.813 0.889 0.778 CA 1.713 10 residues pruned to eliminate duplicates Z: 14 27.918 2.240 0.675 0.866 0.923 0.769 CB 1.636 14 residues pruned to eliminate duplicates Z: 13 28.068 2.192 0.991 0.909 0.917 0.583 CB 1.437 13 residues pruned to eliminate duplicates Z: 77 60.310 2.457 0.789 0.519 0.868 0.632 CB 1.779 77 residues pruned to eliminate duplicates Z: 14 33.060 2.196 1.107 0.865 0.923 0.846 CB 1.572 14 residues pruned to eliminate duplicates Z: 10 13.399 1.937 0.081 0.914 1.000 1.000 CB 1.508 10 residues pruned to eliminate duplicates Z: 11 19.811 2.136 0.503 0.778 1.000 0.800 CB 1.527 11 residues pruned to eliminate duplicates Z: 56 65.978 2.507 0.925 0.615 0.945 0.618 CB 1.750 55 residues pruned to eliminate duplicates Z: 18 24.834 2.347 0.722 0.418 0.882 0.529 CB 1.840 17 residues pruned to eliminate duplicates Z: 11 16.880 1.936 0.414 0.867 1.000 0.800 CA 1.426 11 residues pruned to eliminate duplicates Z: 15 30.123 2.167 0.598 0.902 1.000 0.857 CB 1.659 15 residues pruned to eliminate duplicates Z: 6 10.533 2.047 0.321 0.753 1.000 0.400 CA 1.391 6 residues pruned to eliminate duplicates Z: 12 6.369 2.056 0.558 0.133 0.636 0.273 C 1.487 12 residues pruned to eliminate duplicates Z: 72 46.599 2.297 0.861 0.412 0.887 0.648 CB 1.598 49 residues pruned to eliminate duplicates Z: 27 26.778 2.151 0.593 0.516 0.923 0.808 CB 1.634 27 residues pruned to eliminate duplicates Z: 17 37.390 2.255 0.659 0.898 1.000 0.938 CB 1.788 17 residues pruned to eliminate duplicates Z: 81 53.170 2.309 0.768 0.454 0.900 0.637 CB 1.696 81 residues pruned to eliminate duplicates Z: 7 8.688 1.986 0.779 0.486 0.667 0.333 CA 1.526 7 residues pruned to eliminate duplicates Z: 14 35.909 2.211 0.775 0.937 1.000 1.000 CA 1.766 14 residues pruned to eliminate duplicates Z: 20 31.256 2.188 1.133 0.526 0.947 0.684 CB 1.582 19 residues pruned to eliminate duplicates Z: 8 11.360 1.752 0.674 0.744 0.857 0.714 CA 1.374 8 residues pruned to eliminate duplicates Z: 72 47.987 2.307 0.873 0.383 0.887 0.549 CB 1.682 72 residues pruned to eliminate duplicates Z: 30 42.949 2.511 0.792 0.562 0.966 0.793 CB 1.730 30 residues pruned to eliminate duplicates Z: 15 33.582 2.168 0.717 0.923 1.000 1.000 CB 1.695 15 residues pruned to eliminate duplicates Z: 85 51.725 2.287 0.837 0.396 0.893 0.524 CB 1.679 101 residues pruned to eliminate duplicates Z: 8 7.954 2.003 0.632 0.534 0.714 0.571 CB 1.246 8 residues pruned to eliminate duplicates Z: 17 35.777 2.281 0.732 0.876 0.938 0.812 CB 1.755 17 residues pruned to eliminate duplicates Z: 13 41.129 2.213 1.113 0.913 1.000 0.833 C 1.797 13 residues pruned to eliminate duplicates Z: 28 16.708 2.145 0.656 0.283 0.852 0.444 CB 1.356 28 residues pruned to eliminate duplicates Z: 16 22.450 2.331 0.864 0.476 0.800 0.733 CA 1.708 16 residues pruned to eliminate duplicates Z: 16 24.745 2.035 0.688 0.789 0.933 0.733 CB 1.546 16 residues pruned to eliminate duplicates Z: 15 33.298 2.139 0.800 0.914 1.000 0.786 CB 1.634 15 residues pruned to eliminate duplicates Z: 19 39.924 2.491 0.696 0.711 1.000 0.889 CB 1.840 19 residues pruned to eliminate duplicates Z: 19 28.969 2.299 0.979 0.476 0.944 0.611 CB 1.628 19 residues pruned to eliminate duplicates Z: 54 45.773 2.381 0.726 0.454 0.925 0.547 CB 1.733 54 residues pruned to eliminate duplicates Z: 62 50.461 2.340 0.950 0.436 0.902 0.689 CB 1.678 62 residues pruned to eliminate duplicates Z: 36 46.651 2.419 1.079 0.498 0.914 0.629 CB 1.718 36 residues pruned to eliminate duplicates Z: 14 38.237 2.287 0.795 0.925 1.000 1.000 CB 1.813 14 residues pruned to eliminate duplicates Z: 6 14.416 2.282 0.530 0.827 0.800 0.200 CA 1.740 6 residues pruned to eliminate duplicates Z: 48 39.938 2.299 0.866 0.432 0.915 0.638 CB 1.594 48 residues pruned to eliminate duplicates Z: 51 35.099 2.242 0.895 0.394 0.860 0.660 CB 1.519 51 residues pruned to eliminate duplicates Z: 17 31.764 2.266 0.406 0.873 1.000 0.938 CB 1.816 17 residues pruned to eliminate duplicates Z: 30 24.037 2.198 0.862 0.346 0.793 0.552 CB 1.626 30 residues pruned to eliminate duplicates Z: 23 23.020 2.321 0.954 0.320 0.818 0.500 CB 1.613 23 residues pruned to eliminate duplicates Z: 51 36.569 2.271 0.836 0.386 0.860 0.600 CB 1.628 51 residues pruned to eliminate duplicates Z: 63 43.796 2.287 0.870 0.427 0.871 0.629 CB 1.611 63 residues pruned to eliminate duplicates Z: 17 32.727 2.267 0.446 0.899 1.000 0.938 CB 1.783 17 residues pruned to eliminate duplicates Z: 15 27.342 2.169 0.665 0.806 0.929 0.786 CA 1.669 15 residues pruned to eliminate duplicates Z: 10 22.059 2.166 1.191 0.658 0.889 0.778 CB 1.506 10 residues pruned to eliminate duplicates Z: 54 37.125 2.278 0.878 0.382 0.849 0.585 CB 1.592 54 residues pruned to eliminate duplicates Z: 16 34.338 2.366 0.552 0.866 0.933 0.867 CB 1.894 16 residues pruned to eliminate duplicates Z: 17 23.356 2.338 0.693 0.442 0.875 0.625 CB 1.790 17 residues pruned to eliminate duplicates Z: 75 46.442 2.298 0.875 0.394 0.892 0.608 CB 1.572 75 residues pruned to eliminate duplicates Z: 26 17.486 2.024 0.512 0.366 0.840 0.680 CA 1.571 Z: 50 45.889 2.297 0.978 0.455 0.918 0.653 CB 1.644 50 residues pruned to eliminate duplicates Z: 32 39.926 2.356 0.990 0.520 0.968 0.839 CB 1.549 32 residues pruned to eliminate duplicates Z: 10 27.664 2.126 0.853 0.807 1.000 0.889 CA 1.791 10 residues pruned to eliminate duplicates Z: 52 48.218 2.326 0.884 0.485 0.902 0.588 CB 1.734 52 residues pruned to eliminate duplicates Z: 10 16.234 2.050 0.173 0.900 1.000 1.000 CB 1.608 Z: 11 9.322 2.013 0.619 0.378 0.900 0.600 CB 1.144 Z: 12 16.503 1.876 0.282 0.910 1.000 0.818 CB 1.467 10 residues pruned to eliminate duplicates Z: 84 41.167 2.236 0.737 0.375 0.843 0.602 CB 1.576 84 residues pruned to eliminate duplicates Z: 28 15.381 1.931 0.411 0.385 0.815 0.519 CA 1.506 27 residues pruned to eliminate duplicates Z: 16 42.019 2.308 0.846 0.910 1.000 0.667 CB 1.805 16 residues pruned to eliminate duplicates Z: 72 62.033 2.473 0.845 0.513 0.901 0.676 CB 1.766 72 residues pruned to eliminate duplicates Z: 29 21.929 2.288 0.850 0.226 0.750 0.429 CB 1.799 29 residues pruned to eliminate duplicates Z: 19 48.389 2.505 1.469 0.579 0.944 0.833 CB 1.809 19 residues pruned to eliminate duplicates Z: 86 65.296 2.411 0.994 0.451 0.918 0.647 CB 1.689 86 residues pruned to eliminate duplicates Z: 16 34.728 2.398 0.530 0.901 0.933 0.800 CB 1.871 16 residues pruned to eliminate duplicates Z: 14 36.975 2.242 0.906 0.890 1.000 0.769 CB 1.727 14 residues pruned to eliminate duplicates Z: 79 63.940 2.396 1.021 0.487 0.897 0.628 CB 1.688 79 residues pruned to eliminate duplicates Z: 29 24.786 2.319 0.932 0.362 0.750 0.464 CB 1.616 29 residues pruned to eliminate duplicates Z: 16 22.008 2.079 0.358 0.891 0.933 0.800 CB 1.551 16 residues pruned to eliminate duplicates Z: 88 65.112 2.408 1.039 0.395 0.920 0.632 CB 1.728 88 residues pruned to eliminate duplicates Z: 16 22.371 2.365 0.645 0.478 0.867 0.800 CA 1.751 16 residues pruned to eliminate duplicates Z: 18 26.613 2.398 1.163 0.337 0.882 0.588 CB 1.686 18 residues pruned to eliminate duplicates Z: 16 17.345 2.122 0.707 0.413 0.867 0.667 CA 1.563 16 residues pruned to eliminate duplicates Z: 73 43.574 2.282 0.891 0.381 0.875 0.597 CB 1.544 73 residues pruned to eliminate duplicates Z: 16 26.241 2.026 0.564 0.898 1.000 0.867 CB 1.529 16 residues pruned to eliminate duplicates Z: 15 18.410 2.241 0.637 0.399 0.857 0.714 CA 1.741 15 residues pruned to eliminate duplicates Z: 18 16.023 2.128 0.464 0.384 0.882 0.647 CA 1.600 15 residues pruned to eliminate duplicates Z: 15 27.236 2.143 0.747 0.826 0.929 0.929 CB 1.580 15 residues pruned to eliminate duplicates Z: 54 52.934 2.425 0.654 0.579 0.943 0.755 CB 1.781 54 residues pruned to eliminate duplicates Z: 53 32.775 2.234 0.964 0.392 0.788 0.577 CB 1.473 53 residues pruned to eliminate duplicates Z: 27 23.892 2.348 0.763 0.370 0.808 0.462 CB 1.611 27 residues pruned to eliminate duplicates Z: 77 67.592 2.492 0.848 0.518 0.934 0.658 CB 1.771 77 residues pruned to eliminate duplicates Z: 16 46.973 2.355 0.938 0.921 1.000 0.733 CA 1.870 16 residues pruned to eliminate duplicates Z: 57 37.147 2.235 0.775 0.394 0.893 0.554 CB 1.568 57 residues pruned to eliminate duplicates Z: 16 19.226 2.116 0.556 0.451 0.933 0.733 CA 1.700 19 residues pruned to eliminate duplicates Z: 71 52.525 2.328 0.923 0.411 0.900 0.629 CB 1.711 71 residues pruned to eliminate duplicates Z: 9 8.328 1.740 0.690 0.418 0.875 0.500 CB 1.247 9 residues pruned to eliminate duplicates Z: 53 54.691 2.394 1.005 0.534 0.904 0.654 CB 1.691 53 residues pruned to eliminate duplicates Z: 38 44.147 2.429 1.090 0.574 0.865 0.649 CB 1.539 38 residues pruned to eliminate duplicates Z: 10 23.008 2.185 1.035 0.601 1.000 0.667 CB 1.567 10 residues pruned to eliminate duplicates Z: 119 65.565 2.376 0.871 0.442 0.873 0.568 CB 1.651 119 residues pruned to eliminate duplicates Z: 10 10.579 2.178 0.563 0.269 0.889 0.667 CB 1.516 10 residues pruned to eliminate duplicates Z: 25 55.350 2.528 1.398 0.636 0.875 0.708 CB 1.875 25 residues pruned to eliminate duplicates Z: 49 42.238 2.256 0.988 0.416 0.938 0.708 CB 1.582 49 residues pruned to eliminate duplicates Z: 32 31.274 2.208 0.688 0.604 0.839 0.742 CB 1.628 31 residues pruned to eliminate duplicates Z: 12 15.725 1.906 0.158 0.908 1.000 0.909 CB 1.526 11 residues pruned to eliminate duplicates Z: 6 5.433 1.765 0.094 0.624 0.800 0.600 O 1.399 6 residues pruned to eliminate duplicates Z: 11 13.779 2.181 0.689 0.466 0.800 0.700 CB 1.530 11 residues pruned to eliminate duplicates Z: 88 57.513 2.329 0.952 0.393 0.897 0.563 CB 1.694 88 residues pruned to eliminate duplicates Z: 34 31.834 2.362 0.776 0.398 0.879 0.364 CB 1.674 34 residues pruned to eliminate duplicates Z: 10 16.151 2.174 1.032 0.451 0.778 0.667 CB 1.647 10 residues pruned to eliminate duplicates Z: 16 15.006 2.098 0.501 0.422 0.867 0.600 CA 1.539 16 residues pruned to eliminate duplicates Z: 33 28.354 2.276 0.820 0.339 0.812 0.469 CB 1.774 33 residues pruned to eliminate duplicates Z: 10 21.303 2.079 0.671 0.889 1.000 0.889 CA 1.472 10 residues pruned to eliminate duplicates Z: 87 63.872 2.399 0.958 0.461 0.895 0.686 CB 1.704 87 residues pruned to eliminate duplicates Z: 11 7.675 1.907 0.850 0.352 0.900 0.700 CB 0.897 11 residues pruned to eliminate duplicates Z: 11 16.499 2.004 0.444 0.879 1.000 0.800 CB 1.307 12 residues pruned to eliminate duplicates Z: 81 47.642 2.262 0.886 0.400 0.863 0.588 CB 1.608 86 residues pruned to eliminate duplicates Z: 17 25.871 2.316 0.902 0.563 0.875 0.812 CB 1.578 17 residues pruned to eliminate duplicates Z: 17 21.121 2.235 0.806 0.424 0.875 0.562 CA 1.619 17 residues pruned to eliminate duplicates Z: 6 4.108 2.094 -0.048 0.583 1.000 0.200 CB 0.851 6 residues pruned to eliminate duplicates Z: 75 45.163 2.285 0.866 0.396 0.878 0.595 CB 1.564 75 residues pruned to eliminate duplicates Z: 10 19.846 2.061 0.647 0.853 1.000 0.889 CA 1.441 10 residues pruned to eliminate duplicates Z: 11 22.363 2.000 0.905 0.693 1.000 0.700 CB 1.556 11 residues pruned to eliminate duplicates Z: 11 11.379 2.076 0.490 0.381 0.800 0.600 CB 1.651 11 residues pruned to eliminate duplicates Z: 22 27.105 2.128 0.602 0.721 0.952 0.857 CB 1.493 22 residues pruned to eliminate duplicates Z: 15 18.266 2.331 0.583 0.444 0.786 0.714 CA 1.783 15 residues pruned to eliminate duplicates Z: 12 18.277 1.983 0.389 0.875 1.000 0.818 CB 1.455 12 residues pruned to eliminate duplicates Z: 10 4.365 1.573 0.286 0.435 0.778 0.667 CA 0.989 10 residues pruned to eliminate duplicates Z: 14 11.431 1.855 0.317 0.470 0.923 0.692 CB 1.449 14 residues pruned to eliminate duplicates Z: 11 62.168 2.587 1.427 0.933 1.000 0.800 CA 2.186 11 residues pruned to eliminate duplicates Z: 79 50.868 2.242 0.905 0.475 0.897 0.615 CB 1.541 79 residues pruned to eliminate duplicates Z: 83 46.328 2.274 0.631 0.454 0.890 0.585 CB 1.624 83 residues pruned to eliminate duplicates Z: 11 8.987 2.036 0.334 0.376 0.800 0.600 CB 1.492 11 residues pruned to eliminate duplicates Z: 17 34.747 2.311 0.890 0.862 0.875 0.688 CB 1.669 17 residues pruned to eliminate duplicates Z: 12 17.653 1.905 0.316 0.895 1.000 0.909 CB 1.522 12 residues pruned to eliminate duplicates Z: 18 17.834 2.384 0.679 0.385 0.765 0.529 CB 1.597 18 residues pruned to eliminate duplicates Z: 39 60.290 2.542 1.061 0.582 0.895 0.658 CB 1.928 39 residues pruned to eliminate duplicates Z: 12 19.935 1.886 0.537 0.920 1.000 0.818 CB 1.461 12 residues pruned to eliminate duplicates Z: 22 28.547 2.353 1.045 0.425 0.857 0.476 CB 1.634 22 residues pruned to eliminate duplicates Z: 87 49.742 2.243 0.869 0.416 0.872 0.593 CB 1.602 87 residues pruned to eliminate duplicates Z: 10 9.907 1.911 0.676 0.420 0.778 0.333 CA 1.441 10 residues pruned to eliminate duplicates Z: 10 14.969 1.806 0.664 0.870 0.889 0.444 CB 1.363 10 residues pruned to eliminate duplicates Z: 66 41.083 2.247 0.876 0.405 0.862 0.585 CB 1.550 66 residues pruned to eliminate duplicates Z: 12 10.558 1.982 0.483 0.460 0.818 0.545 CB 1.379 12 residues pruned to eliminate duplicates Z: 37 42.200 2.328 1.034 0.483 0.944 0.611 CB 1.599 37 residues pruned to eliminate duplicates Z: 51 29.655 2.235 0.664 0.397 0.880 0.540 CB 1.429 51 residues pruned to eliminate duplicates Z: 10 11.355 1.826 0.966 0.541 1.000 0.778 CA 1.013 10 residues pruned to eliminate duplicates Z: 75 49.257 2.306 0.933 0.388 0.892 0.595 CB 1.623 75 residues pruned to eliminate duplicates Z: 73 47.018 2.272 0.922 0.386 0.889 0.653 CB 1.610 73 residues pruned to eliminate duplicates Z: 44 44.908 2.338 0.861 0.515 0.977 0.581 CB 1.587 44 residues pruned to eliminate duplicates Z: 32 39.575 2.367 0.977 0.491 0.935 0.710 CB 1.639 32 residues pruned to eliminate duplicates Z: 12 19.381 1.890 0.507 0.915 1.000 0.818 CB 1.450 12 residues pruned to eliminate duplicates Z: 10 17.168 1.988 0.377 0.854 0.889 0.778 CB 1.737 10 residues pruned to eliminate duplicates Z: 17 25.763 2.455 1.036 0.391 0.938 0.625 CB 1.543 17 residues pruned to eliminate duplicates Z: 19 17.572 2.305 0.541 0.369 0.778 0.611 CB 1.726 19 residues pruned to eliminate duplicates Z: 12 17.975 1.911 0.311 0.919 1.000 1.000 CA 1.525 12 residues pruned to eliminate duplicates Z: 9 17.977 2.173 1.197 0.368 1.000 0.500 CB 1.533 9 residues pruned to eliminate duplicates Z: 72 45.092 2.296 0.809 0.403 0.901 0.563 CB 1.582 72 residues pruned to eliminate duplicates Z: 71 43.242 2.282 0.846 0.359 0.886 0.571 CB 1.613 71 residues pruned to eliminate duplicates Z: 14 31.141 2.232 0.742 0.888 1.000 0.846 CB 1.600 14 residues pruned to eliminate duplicates Z: 79 64.207 2.430 0.898 0.518 0.885 0.641 CB 1.750 79 residues pruned to eliminate duplicates Z: 16 52.309 2.418 1.045 0.953 1.000 0.667 CB 1.880 16 residues pruned to eliminate duplicates Z: 72 65.018 2.418 0.960 0.523 0.930 0.620 CB 1.712 72 residues pruned to eliminate duplicates Z: 16 28.311 2.320 0.395 0.800 1.000 0.867 CB 1.738 16 residues pruned to eliminate duplicates Z: 21 27.704 2.234 1.073 0.431 0.900 0.550 CB 1.597 24 residues pruned to eliminate duplicates Z: 11 10.043 2.324 0.372 0.267 0.800 0.500 CA 1.623 11 residues pruned to eliminate duplicates Z: 9 12.042 2.165 0.693 0.479 0.875 0.750 CB 1.356 9 residues pruned to eliminate duplicates Z: 11 18.852 2.010 0.641 0.896 1.000 0.800 CB 1.294 11 residues pruned to eliminate duplicates Z: 77 64.678 2.464 0.824 0.500 0.921 0.579 CB 1.792 77 residues pruned to eliminate duplicates Z: 23 36.619 2.378 1.024 0.420 0.955 0.500 CB 1.847 23 residues pruned to eliminate duplicates Z: 16 32.850 2.403 1.196 0.514 0.800 0.667 CB 1.980 16 residues pruned to eliminate duplicates Z: 95 69.882 2.379 1.035 0.481 0.883 0.681 CB 1.719 95 residues pruned to eliminate duplicates Z: 27 40.426 2.316 0.764 0.683 0.923 0.692 CB 1.777 27 residues pruned to eliminate duplicates Z: 14 31.450 2.222 0.763 0.913 1.000 0.769 CB 1.575 14 residues pruned to eliminate duplicates Z: 74 52.758 2.396 0.870 0.489 0.822 0.589 CB 1.696 74 residues pruned to eliminate duplicates Z: 11 10.328 2.060 0.790 0.494 0.900 0.500 CB 0.991 11 residues pruned to eliminate duplicates Z: 35 29.513 2.016 0.746 0.611 0.882 0.676 CB 1.466 35 residues pruned to eliminate duplicates Z: 25 18.515 1.966 0.556 0.562 0.875 0.625 CB 1.329 25 residues pruned to eliminate duplicates Z: 14 22.674 2.225 1.140 0.373 0.923 0.692 CB 1.640 14 residues pruned to eliminate duplicates Z: 31 48.824 2.346 0.958 0.643 1.000 0.533 CB 1.698 31 residues pruned to eliminate duplicates Z: 11 16.840 2.036 0.313 0.871 1.000 0.800 CB 1.453 11 residues pruned to eliminate duplicates Z: 19 38.041 2.466 0.668 0.708 1.000 0.778 CB 1.805 19 residues pruned to eliminate duplicates Z: 77 43.053 2.251 0.723 0.395 0.882 0.618 CB 1.614 77 residues pruned to eliminate duplicates Z: 11 17.672 2.257 0.341 0.630 1.000 0.600 CB 1.633 11 residues pruned to eliminate duplicates Z: 73 42.593 2.297 0.907 0.371 0.833 0.569 CB 1.578 73 residues pruned to eliminate duplicates Z: 13 33.150 2.348 0.783 0.839 0.917 0.833 CA 1.862 13 residues pruned to eliminate duplicates Z: 17 42.958 2.368 0.964 0.769 0.938 0.812 CB 1.941 17 residues pruned to eliminate duplicates Z: 74 43.453 2.300 0.802 0.375 0.877 0.616 CB 1.599 74 residues pruned to eliminate duplicates Z: 15 48.001 2.379 0.988 0.941 1.000 0.786 CB 1.881 15 residues pruned to eliminate duplicates Z: 8 17.274 2.067 1.172 0.567 1.000 1.000 CB 1.362 8 residues pruned to eliminate duplicates Z: 7 22.319 2.446 0.802 0.654 1.000 0.833 CB 1.792 7 residues pruned to eliminate duplicates Z: 14 36.593 2.257 1.051 0.931 0.923 0.846 CB 1.660 13 residues pruned to eliminate duplicates Z: 23 13.769 2.080 0.515 0.330 0.773 0.409 CB 1.452 23 residues pruned to eliminate duplicates Z: 79 44.009 2.209 0.800 0.417 0.897 0.590 CB 1.523 79 residues pruned to eliminate duplicates Z: 8 11.178 1.914 0.389 0.590 1.000 0.571 CB 1.458 8 residues pruned to eliminate duplicates Z: 31 39.120 2.202 0.829 0.685 0.900 0.800 CB 1.664 31 residues pruned to eliminate duplicates Z: 12 23.464 2.232 0.776 0.674 1.000 1.000 CB 1.521 12 residues pruned to eliminate duplicates Z: 71 51.658 2.376 0.840 0.494 0.843 0.629 CB 1.686 71 residues pruned to eliminate duplicates Z: 77 48.787 2.196 0.858 0.465 0.921 0.671 CB 1.543 77 residues pruned to eliminate duplicates Z: 73 43.091 2.278 0.809 0.372 0.889 0.611 CB 1.590 73 residues pruned to eliminate duplicates Z: 96 51.065 2.338 0.837 0.365 0.853 0.547 CB 1.653 96 residues pruned to eliminate duplicates Z: 71 57.512 2.365 0.910 0.496 0.914 0.657 CB 1.672 71 residues pruned to eliminate duplicates Z: 14 32.073 2.187 0.863 0.892 1.000 0.538 CB 1.569 14 residues pruned to eliminate duplicates Z: 12 5.938 1.806 0.209 0.271 0.727 0.455 CB 1.461 10 residues pruned to eliminate duplicates Z: 10 19.262 1.996 0.416 0.893 1.000 1.000 CB 1.630 10 residues pruned to eliminate duplicates Z: 6 12.811 2.083 0.977 0.542 1.000 0.400 CB 1.335 6 residues pruned to eliminate duplicates Z: 27 28.258 2.425 0.918 0.356 0.885 0.385 CB 1.573 27 residues pruned to eliminate duplicates Z: 6 7.831 1.782 0.374 0.592 0.800 0.800 C 1.636 6 residues pruned to eliminate duplicates Z: 79 41.583 2.152 0.579 0.472 0.897 0.628 CB 1.588 79 residues pruned to eliminate duplicates Z: 75 46.937 2.323 0.839 0.391 0.892 0.622 CB 1.607 75 residues pruned to eliminate duplicates Z: 40 41.561 2.431 0.848 0.442 0.897 0.538 CB 1.751 40 residues pruned to eliminate duplicates Z: 39 34.765 2.233 0.550 0.510 0.947 0.579 CB 1.704 39 residues pruned to eliminate duplicates Z: 6 10.052 1.906 0.369 0.701 1.000 0.400 CB 1.434 6 residues pruned to eliminate duplicates Z: 7 19.135 2.187 1.167 0.649 1.000 0.833 CB 1.435 7 residues pruned to eliminate duplicates Z: 9 23.499 2.292 1.323 0.489 0.875 0.875 C 1.802 9 residues pruned to eliminate duplicates Z: 15 35.279 2.145 1.018 0.901 0.929 0.786 CB 1.674 15 residues pruned to eliminate duplicates Z: 62 39.757 2.216 0.861 0.408 0.852 0.672 CB 1.595 62 residues pruned to eliminate duplicates Z: 10 8.809 1.643 0.438 0.648 1.000 0.667 CB 1.082 Z: 9 23.075 2.358 0.409 0.856 1.000 1.000 CB 1.811 9 residues pruned to eliminate duplicates Z: 65 43.020 2.215 0.760 0.434 0.922 0.609 CB 1.603 65 residues pruned to eliminate duplicates Z: 16 26.147 2.092 0.510 0.884 0.933 0.867 CA 1.655 16 residues pruned to eliminate duplicates Z: 26 17.049 2.226 0.519 0.318 0.800 0.560 CB 1.542 26 residues pruned to eliminate duplicates Z: 41 21.478 1.949 0.598 0.456 0.800 0.600 CB 1.426 43 residues pruned to eliminate duplicates Z: 95 53.015 2.243 0.769 0.476 0.894 0.617 CB 1.580 95 residues pruned to eliminate duplicates Z: 53 41.383 2.245 0.873 0.444 0.923 0.654 CB 1.566 53 residues pruned to eliminate duplicates 7 1.939 1.613 0.379 0.236 0.500 0.333 N 0.967 ? Z: 14 32.352 2.207 0.838 0.913 1.000 0.769 CB 1.565 14 residues pruned to eliminate duplicates Z: 15 26.847 1.958 0.860 0.901 1.000 0.857 CB 1.407 15 residues pruned to eliminate duplicates Z: 10 7.288 1.619 0.740 0.381 0.778 0.667 N 1.258 8 residues pruned to eliminate duplicates Z: 102 69.469 2.361 1.096 0.442 0.901 0.584 CB 1.646 102 residues pruned to eliminate duplicates Z: 64 43.731 2.289 0.768 0.427 0.921 0.619 CB 1.595 64 residues pruned to eliminate duplicates Z: 68 55.235 2.440 0.811 0.528 0.851 0.612 CB 1.746 68 residues pruned to eliminate duplicates Z: 47 43.786 2.438 0.710 0.485 0.913 0.674 CB 1.721 47 residues pruned to eliminate duplicates Z: 12 18.459 1.961 0.409 0.874 1.000 0.818 CA 1.466 12 residues pruned to eliminate duplicates Z: 14 12.164 1.881 0.413 0.448 0.923 0.538 CB 1.450 14 residues pruned to eliminate duplicates Z: 8 22.193 2.294 1.307 0.583 0.857 0.714 CB 1.707 8 residues pruned to eliminate duplicates Z: 63 49.026 2.274 0.883 0.444 0.935 0.613 CB 1.646 63 residues pruned to eliminate duplicates Z: 11 15.578 1.917 0.272 0.890 1.000 0.900 CB 1.452 11 residues pruned to eliminate duplicates Z: 19 15.427 2.109 0.651 0.363 0.833 0.667 CB 1.452 19 residues pruned to eliminate duplicates Z: 6 4.320 2.176 0.250 0.229 0.600 0.200 CB 1.625 6 residues pruned to eliminate duplicates Z: 21 28.478 2.093 0.528 0.724 1.000 0.550 CB 1.628 21 residues pruned to eliminate duplicates Z: 36 51.429 2.436 0.842 0.587 0.943 0.600 CB 1.891 36 residues pruned to eliminate duplicates Z: 15 25.714 2.145 0.331 0.920 1.000 0.929 CB 1.695 15 residues pruned to eliminate duplicates Z: 17 25.104 2.279 0.502 0.828 0.938 0.688 CB 1.472 17 residues pruned to eliminate duplicates Z: 44 43.486 2.340 0.985 0.428 0.860 0.535 CB 1.788 44 residues pruned to eliminate duplicates Z: 9 18.884 2.192 1.086 0.733 0.875 0.875 CB 1.354 9 residues pruned to eliminate duplicates Z: 33 41.519 2.360 0.680 0.608 0.938 0.594 CB 1.782 33 residues pruned to eliminate duplicates Z: 21 19.653 2.235 1.039 0.342 0.750 0.500 CB 1.526 21 residues pruned to eliminate duplicates Z: 14 36.550 2.151 1.115 0.909 1.000 0.692 CB 1.582 14 residues pruned to eliminate duplicates Z: 11 22.884 2.043 0.915 0.805 0.900 0.900 CA 1.574 11 residues pruned to eliminate duplicates Z: 9 15.117 2.330 0.487 0.331 1.000 0.750 CB 1.856 9 residues pruned to eliminate duplicates Z: 14 25.141 2.153 0.499 0.892 1.000 0.923 CB 1.552 14 residues pruned to eliminate duplicates Z: 12 19.889 2.244 0.860 0.500 0.818 0.545 CA 1.757 12 residues pruned to eliminate duplicates Z: 16 19.961 2.155 0.383 0.741 0.867 0.800 CB 1.608 16 residues pruned to eliminate duplicates Z: 75 49.872 2.223 0.868 0.499 0.905 0.581 CB 1.544 75 residues pruned to eliminate duplicates Z: 11 14.732 1.817 0.210 0.917 1.000 0.900 CB 1.495 11 residues pruned to eliminate duplicates Z: 23 40.677 2.289 1.089 0.610 0.955 0.773 CB 1.712 23 residues pruned to eliminate duplicates Z: 19 34.489 2.423 1.065 0.512 0.944 0.778 CB 1.700 19 residues pruned to eliminate duplicates Z: 95 52.623 2.199 0.911 0.418 0.872 0.670 CB 1.613 111 residues pruned to eliminate duplicates Z: 29 38.036 2.435 0.748 0.541 0.964 0.786 CB 1.681 29 residues pruned to eliminate duplicates Z: 64 40.147 2.263 0.830 0.419 0.873 0.603 CB 1.522 64 residues pruned to eliminate duplicates Z: 18 12.396 2.042 0.584 0.419 0.765 0.647 CB 1.322 Z: 48 30.360 2.206 0.777 0.373 0.851 0.574 CB 1.521 48 residues pruned to eliminate duplicates Z: 47 41.580 2.425 0.742 0.470 0.848 0.522 CB 1.764 47 residues pruned to eliminate duplicates Z: 17 28.009 2.245 0.434 0.859 0.938 0.812 CB 1.707 17 residues pruned to eliminate duplicates Z: 20 32.114 2.233 0.728 0.697 1.000 0.789 CB 1.595 20 residues pruned to eliminate duplicates Z: 67 55.234 2.351 0.876 0.470 0.924 0.636 CB 1.720 67 residues pruned to eliminate duplicates Z: 12 6.595 1.760 0.542 0.305 0.727 0.545 CA 1.252 9 residues pruned to eliminate duplicates Z: 9 14.195 1.784 0.600 0.701 1.000 0.625 CA 1.464 9 residues pruned to eliminate duplicates Z: 35 51.411 2.415 1.043 0.592 0.912 0.765 CB 1.794 35 residues pruned to eliminate duplicates Z: 19 18.490 1.883 0.538 0.595 0.833 0.667 CB 1.649 19 residues pruned to eliminate duplicates Z: 85 49.521 2.304 0.838 0.387 0.893 0.607 CB 1.611 85 residues pruned to eliminate duplicates Z: 18 23.213 2.316 0.867 0.452 0.765 0.529 CB 1.790 18 residues pruned to eliminate duplicates Z: 8 6.223 1.963 0.427 0.644 0.571 0.571 CB 1.285 8 residues pruned to eliminate duplicates Z: 31 36.034 2.147 0.752 0.630 0.967 0.767 CB 1.601 31 residues pruned to eliminate duplicates Z: 62 50.991 2.327 0.904 0.475 0.885 0.623 CB 1.708 62 residues pruned to eliminate duplicates Z: 9 9.850 1.817 0.746 0.404 1.000 0.875 CB 1.215 9 residues pruned to eliminate duplicates Z: 12 25.775 1.841 1.351 0.907 1.000 0.545 CB 1.276 12 residues pruned to eliminate duplicates Z: 51 52.349 2.395 0.945 0.533 0.880 0.480 CB 1.749 51 residues pruned to eliminate duplicates Z: 32 28.988 2.102 0.978 0.532 0.871 0.484 CB 1.393 32 residues pruned to eliminate duplicates Z: 12 16.489 1.786 0.580 0.878 1.000 0.727 CB 1.278 12 residues pruned to eliminate duplicates Z: 10 7.166 1.817 0.368 0.529 0.889 0.667 CB 1.051 10 residues pruned to eliminate duplicates Z: 10 17.880 1.953 0.411 0.914 1.000 1.000 CB 1.530 10 residues pruned to eliminate duplicates Z: 41 34.891 2.270 0.844 0.426 0.925 0.675 CB 1.539 41 residues pruned to eliminate duplicates Z: 15 8.096 1.516 0.757 0.503 0.857 0.643 N 0.945 Z: 7 10.984 2.000 0.736 0.613 0.833 0.667 CB 1.393 17 residues pruned to eliminate duplicates Z: 36 36.301 2.227 0.986 0.482 0.943 0.543 CB 1.498 36 residues pruned to eliminate duplicates Z: 20 34.967 2.345 0.625 0.701 1.000 0.842 CB 1.753 20 residues pruned to eliminate duplicates Z: 10 14.304 1.951 0.234 0.890 1.000 1.000 CA 1.424 10 residues pruned to eliminate duplicates Z: 14 31.903 2.166 0.870 0.912 1.000 0.769 CB 1.548 14 residues pruned to eliminate duplicates Z: 9 5.815 2.005 0.113 0.194 0.875 0.375 CB 1.518 9 residues pruned to eliminate duplicates Z: 16 15.592 2.050 1.068 0.489 0.667 0.667 CB 1.440 16 residues pruned to eliminate duplicates Z: 93 49.924 2.213 0.894 0.450 0.870 0.630 CB 1.503 93 residues pruned to eliminate duplicates Z: 17 37.300 2.239 0.767 0.885 1.000 0.812 CB 1.701 17 residues pruned to eliminate duplicates Z: 55 54.894 2.398 0.772 0.577 0.944 0.630 CB 1.729 55 residues pruned to eliminate duplicates Z: 51 36.180 2.216 0.720 0.430 0.880 0.580 CB 1.640 51 residues pruned to eliminate duplicates Z: 18 16.089 2.162 0.472 0.442 0.824 0.647 CB 1.581 8 residues pruned to eliminate duplicates Z: 7 7.244 1.653 0.563 0.585 0.833 0.833 CA 1.266 7 residues pruned to eliminate duplicates 6 1.297 1.386 0.487 0.450 0.800 0.400 C 0.370 ? Z: 18 10.299 1.871 0.252 0.458 0.824 0.588 CA 1.352 18 residues pruned to eliminate duplicates Z: 10 22.074 2.070 0.584 0.931 1.000 0.889 CB 1.568 10 residues pruned to eliminate duplicates Z: 29 23.531 2.424 0.769 0.345 0.786 0.464 CB 1.562 29 residues pruned to eliminate duplicates Z: 87 47.867 2.251 0.687 0.433 0.884 0.616 CB 1.648 87 residues pruned to eliminate duplicates Z: 68 46.803 2.297 0.892 0.407 0.910 0.582 CB 1.593 68 residues pruned to eliminate duplicates Z: 14 22.360 2.109 0.469 0.667 1.000 0.769 CA 1.715 14 residues pruned to eliminate duplicates Z: 11 8.585 1.915 0.421 0.356 0.900 0.500 CB 1.295 11 residues pruned to eliminate duplicates Z: 29 45.805 2.488 0.904 0.600 0.929 0.607 CB 1.789 29 residues pruned to eliminate duplicates Z: 49 44.705 2.332 0.966 0.441 0.917 0.583 CB 1.631 49 residues pruned to eliminate duplicates Z: 7 7.269 1.901 0.378 0.641 0.833 0.833 CB 1.191 Z: 11 10.963 2.036 0.393 0.334 0.900 0.500 CB 1.629 11 residues pruned to eliminate duplicates Z: 41 39.301 2.333 0.885 0.504 0.850 0.550 CB 1.657 41 residues pruned to eliminate duplicates Z: 9 11.646 2.084 0.891 0.421 0.875 0.625 CA 1.297 9 residues pruned to eliminate duplicates Z: 10 14.484 1.992 0.410 0.670 0.889 0.778 CA 1.652 10 residues pruned to eliminate duplicates Z: 22 19.102 2.153 0.498 0.342 0.857 0.476 CA 1.790 22 residues pruned to eliminate duplicates Z: 12 21.812 1.836 0.871 0.906 1.000 0.727 CB 1.361 12 residues pruned to eliminate duplicates Z: 6 5.182 2.150 0.120 0.248 0.800 0.400 CB 1.608 6 residues pruned to eliminate duplicates Z: 6 7.562 1.683 0.244 0.679 1.000 0.600 CA 1.369 6 residues pruned to eliminate duplicates Z: 25 32.985 2.440 0.885 0.480 0.875 0.542 CB 1.707 25 residues pruned to eliminate duplicates Z: 12 24.085 2.065 1.252 0.619 0.909 0.727 CB 1.536 12 residues pruned to eliminate duplicates Z: 30 34.175 2.201 0.743 0.641 0.931 0.759 CB 1.557 30 residues pruned to eliminate duplicates Z: 49 47.084 2.389 0.933 0.483 0.854 0.438 CB 1.752 49 residues pruned to eliminate duplicates Z: 9 4.000 1.832 0.189 0.215 0.750 0.500 CB 1.212 9 residues pruned to eliminate duplicates Z: 6 5.688 1.413 0.510 0.837 1.000 0.800 CB 0.891 Z: 24 25.904 2.235 0.811 0.436 0.870 0.739 CB 1.640 24 residues pruned to eliminate duplicates Z: 13 8.812 1.837 0.401 0.439 0.750 0.583 CB 1.403 5 residues pruned to eliminate duplicates Z: 58 44.521 2.218 0.959 0.442 0.912 0.579 CB 1.579 58 residues pruned to eliminate duplicates Z: 62 38.430 2.206 0.862 0.398 0.869 0.639 CB 1.536 62 residues pruned to eliminate duplicates Z: 13 20.560 2.168 0.822 0.417 0.917 0.583 CB 1.786 13 residues pruned to eliminate duplicates Z: 6 7.897 1.801 0.945 0.618 0.800 0.800 CB 1.127 6 residues pruned to eliminate duplicates Z: 40 39.779 2.264 0.972 0.476 0.923 0.590 CB 1.583 40 residues pruned to eliminate duplicates Z: 16 20.527 2.208 0.956 0.417 0.933 0.667 CB 1.435 16 residues pruned to eliminate duplicates Z: 46 36.577 2.182 0.974 0.539 0.844 0.622 CB 1.442 46 residues pruned to eliminate duplicates Z: 43 61.018 2.511 1.122 0.576 0.881 0.738 CB 1.865 43 residues pruned to eliminate duplicates Z: 28 37.394 2.186 0.809 0.567 0.926 0.667 CA 1.842 28 residues pruned to eliminate duplicates Z: 6 14.498 1.861 0.726 0.728 1.000 0.800 CB 1.644 6 residues pruned to eliminate duplicates Z: 16 16.943 2.140 0.456 0.486 0.933 0.733 CA 1.526 16 residues pruned to eliminate duplicates Z: 37 35.778 2.086 0.774 0.606 0.944 0.694 CB 1.542 37 residues pruned to eliminate duplicates Z: 36 34.171 2.304 1.058 0.353 0.800 0.457 CB 1.785 36 residues pruned to eliminate duplicates Z: 7 4.118 1.689 0.641 0.492 1.000 0.667 CB 0.611 7 residues pruned to eliminate duplicates Z: 44 42.151 2.296 0.952 0.464 0.907 0.651 CB 1.640 44 residues pruned to eliminate duplicates Z: 11 13.120 1.764 0.946 0.675 0.800 0.700 CB 1.286 11 residues pruned to eliminate duplicates Z: 69 61.575 2.405 1.073 0.492 0.912 0.544 CB 1.655 69 residues pruned to eliminate duplicates Z: 21 25.858 2.526 0.944 0.337 0.700 0.500 CB 2.010 21 residues pruned to eliminate duplicates Z: 7 4.132 1.424 0.995 0.524 0.667 0.667 CA 0.870 7 residues pruned to eliminate duplicates Z: 9 11.326 1.961 0.682 0.344 1.000 0.500 CA 1.439 9 residues pruned to eliminate duplicates Z: 70 54.334 2.245 1.019 0.517 0.884 0.710 CB 1.606 70 residues pruned to eliminate duplicates Z: 12 12.582 2.073 1.029 0.294 0.909 0.545 CB 1.250 12 residues pruned to eliminate duplicates Z: 7 7.634 1.695 0.690 0.658 0.833 0.667 CA 1.128 7 residues pruned to eliminate duplicates Z: 19 15.865 1.953 0.377 0.585 0.833 0.667 CA 1.537 19 residues pruned to eliminate duplicates Z: 55 37.119 2.212 0.825 0.381 0.889 0.630 CB 1.598 55 residues pruned to eliminate duplicates Z: 20 12.369 1.920 0.389 0.428 0.842 0.526 CA 1.361 35 residues pruned to eliminate duplicates Z: 26 29.032 2.238 0.653 0.555 0.960 0.560 CB 1.550 26 residues pruned to eliminate duplicates Z: 8 9.945 2.255 0.797 0.407 0.857 0.571 CB 1.194 8 residues pruned to eliminate duplicates Z: 16 12.658 1.933 0.645 0.369 0.800 0.400 CA 1.479 16 residues pruned to eliminate duplicates Z: 22 15.330 1.809 0.766 0.444 0.810 0.571 CB 1.369 22 residues pruned to eliminate duplicates Z: 14 26.668 2.453 1.081 0.374 0.923 0.615 CB 1.796 14 residues pruned to eliminate duplicates Z: 34 35.644 2.359 0.891 0.449 0.909 0.606 CB 1.611 34 residues pruned to eliminate duplicates Z: 50 42.746 2.325 0.884 0.412 0.918 0.633 CB 1.664 50 residues pruned to eliminate duplicates Z: 13 45.002 2.296 1.170 0.922 1.000 0.667 CA 1.834 13 residues pruned to eliminate duplicates Z: 7 3.645 1.765 0.116 0.322 1.000 0.667 CB 0.919 7 residues pruned to eliminate duplicates Z: 29 25.075 2.255 0.866 0.358 0.821 0.607 CB 1.598 29 residues pruned to eliminate duplicates Z: 49 48.131 2.323 1.059 0.475 0.875 0.542 CB 1.703 49 residues pruned to eliminate duplicates Z: 20 9.661 1.824 0.519 0.264 0.789 0.421 CB 1.326 20 residues pruned to eliminate duplicates Z: 17 23.663 2.312 0.749 0.516 0.875 0.625 CA 1.646 18 residues pruned to eliminate duplicates Z: 9 2.381 1.292 0.259 0.311 0.875 0.375 N 0.730 Z: 16 16.230 2.103 0.615 0.458 0.867 0.467 CB 1.486 16 residues pruned to eliminate duplicates Z: 11 3.863 1.380 0.507 0.376 0.900 0.500 CB 0.745 Z: 31 24.636 2.088 0.816 0.377 0.933 0.633 CB 1.449 31 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 14 18.151 2.155 0.875 0.519 0.846 0.769 CB 1.445 14 residues pruned to eliminate duplicates Z: 13 32.669 2.227 1.251 0.633 1.000 0.750 CB 1.660 13 residues pruned to eliminate duplicates Z: 87 55.400 2.355 0.797 0.450 0.884 0.651 CB 1.680 87 residues pruned to eliminate duplicates Z: 14 21.445 2.133 0.973 0.576 0.923 0.615 CB 1.423 14 residues pruned to eliminate duplicates Z: 13 20.980 2.137 1.093 0.544 0.833 0.750 CB 1.557 13 residues pruned to eliminate duplicates Z: 117 73.653 2.428 1.003 0.455 0.845 0.638 CB 1.743 117 residues pruned to eliminate duplicates Z: 13 18.016 2.164 1.072 0.481 0.833 0.583 CB 1.419 13 residues pruned to eliminate duplicates Z: 21 17.996 2.168 0.818 0.421 0.800 0.700 CB 1.385 21 residues pruned to eliminate duplicates Z: 18 39.254 2.520 1.542 0.515 0.882 0.706 CB 1.659 18 residues pruned to eliminate duplicates Z: 17 36.726 2.551 1.457 0.501 0.875 0.750 CB 1.672 17 residues pruned to eliminate duplicates Z: 47 46.881 2.416 1.092 0.470 0.848 0.587 CB 1.663 64 residues pruned to eliminate duplicates Z: 108 67.103 2.356 0.940 0.444 0.888 0.598 CB 1.693 115 residues pruned to eliminate duplicates Z: 6 9.852 1.831 1.393 0.467 1.000 0.600 CB 1.040 6 residues pruned to eliminate duplicates Z: 100 58.600 2.329 0.909 0.425 0.848 0.636 CB 1.687 100 residues pruned to eliminate duplicates Z: 53 65.908 2.451 1.077 0.544 0.962 0.596 CB 1.788 59 residues pruned to eliminate duplicates Z: 25 41.863 2.440 1.096 0.568 0.875 0.625 CB 1.788 25 residues pruned to eliminate duplicates Z: 34 54.117 2.528 1.206 0.607 0.848 0.667 CB 1.798 39 residues pruned to eliminate duplicates Z: 16 41.329 2.223 1.154 0.710 1.000 0.733 CB 1.842 16 residues pruned to eliminate duplicates Z: 41 46.387 2.419 1.054 0.507 0.875 0.550 CB 1.676 41 residues pruned to eliminate duplicates Z: 66 56.729 2.376 0.916 0.477 0.908 0.677 CB 1.743 66 residues pruned to eliminate duplicates Z: 71 54.748 2.401 0.941 0.448 0.871 0.614 CB 1.699 71 residues pruned to eliminate duplicates Z: 86 53.143 2.356 0.853 0.416 0.859 0.588 CB 1.678 86 residues pruned to eliminate duplicates Z: 107 76.662 2.418 1.024 0.472 0.887 0.642 CB 1.765 95 residues pruned to eliminate duplicates Z: 13 40.515 2.301 1.220 0.826 0.917 0.833 CA 1.883 13 residues pruned to eliminate duplicates Z: 61 61.884 2.411 0.965 0.503 0.950 0.633 CB 1.771 61 residues pruned to eliminate duplicates Z: 109 68.704 2.358 1.056 0.438 0.889 0.593 CB 1.635 109 residues pruned to eliminate duplicates Z: 20 40.243 2.471 1.084 0.629 0.895 0.684 CB 1.775 20 residues pruned to eliminate duplicates Z: 17 53.065 2.527 1.229 0.735 0.938 0.625 CA 2.034 17 residues pruned to eliminate duplicates Z: 20 46.378 2.581 1.203 0.673 0.842 0.737 CB 1.894 20 residues pruned to eliminate duplicates Z: 67 54.203 2.366 0.926 0.470 0.909 0.727 CB 1.661 67 residues pruned to eliminate duplicates Z: 89 57.491 2.369 0.964 0.414 0.864 0.580 CB 1.670 89 residues pruned to eliminate duplicates Z: 70 55.114 2.373 0.920 0.462 0.884 0.623 CB 1.713 70 residues pruned to eliminate duplicates Z: 50 37.507 2.247 0.848 0.414 0.878 0.612 CB 1.608 50 residues pruned to eliminate duplicates Z: 43 58.896 2.452 1.161 0.540 0.929 0.690 CB 1.776 43 residues pruned to eliminate duplicates Z: 90 59.361 2.339 0.957 0.433 0.899 0.596 CB 1.638 90 residues pruned to eliminate duplicates Z: 109 55.060 2.255 0.735 0.454 0.880 0.546 CB 1.614 109 residues pruned to eliminate duplicates Z: 92 51.124 2.280 0.834 0.407 0.901 0.582 CB 1.567 92 residues pruned to eliminate duplicates Z: 36 39.815 2.401 0.869 0.491 0.914 0.571 CB 1.656 36 residues pruned to eliminate duplicates Z: 67 57.698 2.408 0.980 0.470 0.894 0.621 CB 1.718 67 residues pruned to eliminate duplicates Z: 52 42.343 2.287 0.960 0.419 0.882 0.608 CB 1.632 52 residues pruned to eliminate duplicates Z: 36 42.366 2.398 0.921 0.492 0.943 0.629 CB 1.663 36 residues pruned to eliminate duplicates Z: 36 43.431 2.370 0.917 0.509 0.943 0.657 CB 1.698 36 residues pruned to eliminate duplicates Z: 47 39.658 2.267 0.803 0.443 0.935 0.630 CB 1.623 47 residues pruned to eliminate duplicates Z: 86 53.057 2.345 0.904 0.368 0.882 0.635 CB 1.683 86 residues pruned to eliminate duplicates Z: 107 67.507 2.365 1.073 0.441 0.868 0.594 CB 1.637 107 residues pruned to eliminate duplicates Z: 51 63.963 2.474 1.037 0.571 0.940 0.640 CB 1.783 51 residues pruned to eliminate duplicates Z: 55 39.904 2.309 0.826 0.400 0.889 0.593 CB 1.609 55 residues pruned to eliminate duplicates Z: 61 44.898 2.270 0.855 0.431 0.883 0.583 CB 1.673 61 residues pruned to eliminate duplicates Z: 24 28.950 2.315 0.705 0.494 0.913 0.739 CB 1.686 24 residues pruned to eliminate duplicates Z: 68 42.404 2.271 0.877 0.381 0.866 0.612 CB 1.594 68 residues pruned to eliminate duplicates Z: 88 61.200 2.398 0.963 0.450 0.862 0.644 CB 1.702 88 residues pruned to eliminate duplicates Z: 72 43.047 2.284 0.821 0.397 0.873 0.634 CB 1.568 72 residues pruned to eliminate duplicates Z: 38 42.217 2.360 1.021 0.485 0.892 0.649 CB 1.656 38 residues pruned to eliminate duplicates Z: 53 41.725 2.300 0.883 0.397 0.923 0.635 CB 1.614 53 residues pruned to eliminate duplicates Z: 67 49.386 2.334 0.938 0.426 0.864 0.636 CB 1.680 67 residues pruned to eliminate duplicates Z: 52 35.959 2.175 0.845 0.396 0.922 0.647 CB 1.519 52 residues pruned to eliminate duplicates Z: 76 50.062 2.270 0.874 0.440 0.933 0.627 CB 1.549 76 residues pruned to eliminate duplicates Z: 53 40.884 2.299 1.011 0.394 0.846 0.596 CB 1.621 53 residues pruned to eliminate duplicates Z: 62 47.616 2.270 0.985 0.413 0.902 0.590 CB 1.644 62 residues pruned to eliminate duplicates Z: 87 69.000 2.402 1.129 0.467 0.895 0.698 CB 1.680 87 residues pruned to eliminate duplicates Z: 87 59.934 2.377 0.956 0.439 0.872 0.605 CB 1.698 87 residues pruned to eliminate duplicates Z: 64 45.568 2.288 0.918 0.389 0.889 0.667 CB 1.656 64 residues pruned to eliminate duplicates Z: 85 63.219 2.404 1.037 0.441 0.893 0.631 CB 1.678 85 residues pruned to eliminate duplicates Z: 90 65.032 2.383 0.968 0.458 0.910 0.640 CB 1.685 90 residues pruned to eliminate duplicates Z: 69 62.246 2.421 1.020 0.459 0.926 0.632 CB 1.738 69 residues pruned to eliminate duplicates Z: 54 42.320 2.243 0.994 0.402 0.906 0.604 CB 1.592 54 residues pruned to eliminate duplicates Z: 70 45.481 2.296 0.848 0.373 0.899 0.623 CB 1.646 70 residues pruned to eliminate duplicates Z: 83 43.383 2.307 0.838 0.344 0.854 0.598 CB 1.568 83 residues pruned to eliminate duplicates Z: 90 62.117 2.368 1.032 0.445 0.876 0.618 CB 1.653 90 residues pruned to eliminate duplicates Z: 102 59.362 2.385 0.966 0.411 0.851 0.594 CB 1.623 102 residues pruned to eliminate duplicates Z: 117 64.567 2.341 0.963 0.423 0.845 0.595 CB 1.673 117 residues pruned to eliminate duplicates Z: 89 64.071 2.362 1.002 0.453 0.898 0.591 CB 1.689 89 residues pruned to eliminate duplicates Z: 71 47.698 2.313 0.890 0.394 0.900 0.643 CB 1.620 71 residues pruned to eliminate duplicates Z: 63 43.658 2.238 0.901 0.408 0.887 0.661 CB 1.618 63 residues pruned to eliminate duplicates Z: 64 48.546 2.350 0.936 0.413 0.873 0.651 CB 1.687 64 residues pruned to eliminate duplicates Z: 67 49.939 2.363 1.059 0.402 0.848 0.621 CB 1.652 67 residues pruned to eliminate duplicates Z: 89 55.866 2.342 0.965 0.422 0.852 0.625 CB 1.646 89 residues pruned to eliminate duplicates Z: 70 43.966 2.265 0.829 0.403 0.884 0.638 CB 1.601 70 residues pruned to eliminate duplicates Z: 71 59.267 2.396 1.029 0.465 0.871 0.686 CB 1.734 71 residues pruned to eliminate duplicates Z: 70 61.226 2.388 0.985 0.472 0.928 0.594 CB 1.724 70 residues pruned to eliminate duplicates Z: 71 58.377 2.399 0.956 0.481 0.900 0.629 CB 1.684 71 residues pruned to eliminate duplicates Z: 68 49.683 2.315 0.912 0.405 0.910 0.567 CB 1.665 68 residues pruned to eliminate duplicates Z: 64 45.839 2.306 0.949 0.411 0.889 0.587 CB 1.586 64 residues pruned to eliminate duplicates Z: 71 50.570 2.310 0.906 0.391 0.914 0.600 CB 1.685 71 residues pruned to eliminate duplicates Z: 81 68.667 2.394 1.126 0.484 0.900 0.675 CB 1.703 81 residues pruned to eliminate duplicates Z: 117 82.693 2.389 1.174 0.475 0.879 0.647 CB 1.724 107 residues pruned to eliminate duplicates Z: 6 3.818 1.843 0.836 0.456 0.400 0.400 CB 1.319 6 residues pruned to eliminate duplicates Z: 23 29.153 2.368 1.060 0.358 0.864 0.500 CB 1.720 23 residues pruned to eliminate duplicates Z: 79 60.728 2.452 0.810 0.505 0.897 0.628 CB 1.717 79 residues pruned to eliminate duplicates Z: 118 67.616 2.349 0.931 0.443 0.889 0.598 CB 1.645 118 residues pruned to eliminate duplicates Z: 55 50.184 2.325 0.894 0.483 0.907 0.556 CB 1.738 55 residues pruned to eliminate duplicates Z: 49 43.926 2.434 0.800 0.481 0.833 0.583 CB 1.771 49 residues pruned to eliminate duplicates Z: 37 27.600 2.260 0.832 0.299 0.861 0.528 CB 1.615 37 residues pruned to eliminate duplicates Z: 22 39.008 2.559 1.146 0.386 0.857 0.524 CB 2.042 22 residues pruned to eliminate duplicates Z: 19 26.894 2.536 1.048 0.282 0.833 0.611 CB 1.874 19 residues pruned to eliminate duplicates Z: 22 31.366 2.448 1.171 0.377 0.762 0.524 CB 1.928 33 residues pruned to eliminate duplicates Z: 22 33.220 2.600 1.144 0.379 0.810 0.524 CB 1.828 22 residues pruned to eliminate duplicates Z: 34 26.413 2.376 0.784 0.318 0.848 0.545 CB 1.562 34 residues pruned to eliminate duplicates Z: 67 55.425 2.465 0.901 0.422 0.879 0.606 CB 1.797 67 residues pruned to eliminate duplicates Z: 77 57.310 2.410 0.768 0.482 0.908 0.605 CB 1.731 77 residues pruned to eliminate duplicates Z: 48 47.573 2.403 0.961 0.495 0.872 0.596 CB 1.696 48 residues pruned to eliminate duplicates Z: 79 67.011 2.485 0.891 0.523 0.897 0.654 CB 1.758 45 residues pruned to eliminate duplicates Z: 8 4.574 1.564 0.241 0.476 0.857 0.429 CA 1.065 8 residues pruned to eliminate duplicates Z: 67 54.169 2.428 0.734 0.523 0.909 0.606 CB 1.703 67 residues pruned to eliminate duplicates Z: 73 52.684 2.376 0.756 0.493 0.917 0.597 CB 1.635 73 residues pruned to eliminate duplicates Z: 32 38.364 2.311 0.693 0.580 0.935 0.613 CB 1.744 32 residues pruned to eliminate duplicates Z: 46 47.203 2.389 0.858 0.526 0.889 0.533 CB 1.738 46 residues pruned to eliminate duplicates Z: 28 43.526 2.394 0.741 0.629 1.000 0.630 CB 1.780 28 residues pruned to eliminate duplicates Z: 56 62.276 2.461 0.834 0.588 0.964 0.673 CB 1.774 56 residues pruned to eliminate duplicates Z: 58 54.688 2.392 0.730 0.563 0.965 0.719 CB 1.706 58 residues pruned to eliminate duplicates Z: 54 42.106 2.294 0.829 0.523 0.792 0.585 CB 1.700 54 residues pruned to eliminate duplicates Z: 56 61.658 2.458 0.837 0.590 0.964 0.709 CB 1.752 56 residues pruned to eliminate duplicates Z: 37 52.120 2.436 0.903 0.558 1.000 0.611 CB 1.772 37 residues pruned to eliminate duplicates Z: 28 41.173 2.396 0.690 0.626 0.963 0.630 CB 1.804 28 residues pruned to eliminate duplicates Z: 37 49.919 2.426 0.808 0.549 1.000 0.639 CB 1.807 37 residues pruned to eliminate duplicates Z: 77 64.369 2.411 0.922 0.482 0.947 0.605 CB 1.712 77 residues pruned to eliminate duplicates Z: 49 54.954 2.487 0.992 0.515 0.896 0.521 CB 1.760 49 residues pruned to eliminate duplicates Z: 73 64.725 2.449 0.941 0.509 0.917 0.583 CB 1.734 73 residues pruned to eliminate duplicates Z: 44 42.703 2.333 0.885 0.449 0.953 0.442 CB 1.636 44 residues pruned to eliminate duplicates Z: 41 41.992 2.348 0.877 0.526 0.900 0.550 CB 1.631 41 residues pruned to eliminate duplicates Z: 47 46.134 2.409 0.874 0.470 0.913 0.543 CB 1.702 47 residues pruned to eliminate duplicates Z: 73 68.136 2.533 0.954 0.506 0.931 0.625 CB 1.733 73 residues pruned to eliminate duplicates Z: 78 65.656 2.468 0.909 0.504 0.896 0.571 CB 1.766 78 residues pruned to eliminate duplicates Z: 78 68.455 2.478 0.990 0.523 0.896 0.714 CB 1.726 78 residues pruned to eliminate duplicates Z: 78 61.151 2.432 0.907 0.507 0.857 0.584 CB 1.741 78 residues pruned to eliminate duplicates Z: 59 55.800 2.463 0.892 0.470 0.931 0.534 CB 1.742 59 residues pruned to eliminate duplicates Z: 16 19.909 2.268 1.090 0.242 0.867 0.600 CB 1.687 16 residues pruned to eliminate duplicates Z: 43 50.068 2.424 0.919 0.534 0.976 0.667 CB 1.646 43 residues pruned to eliminate duplicates Z: 57 57.900 2.437 0.888 0.582 0.911 0.625 CB 1.706 57 residues pruned to eliminate duplicates Z: 57 62.015 2.433 0.945 0.603 0.946 0.661 CB 1.677 57 residues pruned to eliminate duplicates Z: 68 54.350 2.416 0.851 0.506 0.866 0.582 CB 1.705 68 residues pruned to eliminate duplicates Z: 52 57.451 2.475 1.100 0.495 0.941 0.608 CB 1.652 52 residues pruned to eliminate duplicates Z: 32 32.390 2.314 0.750 0.460 0.871 0.613 CB 1.719 32 residues pruned to eliminate duplicates Z: 61 56.989 2.412 0.736 0.573 0.950 0.667 CB 1.723 61 residues pruned to eliminate duplicates Z: 55 64.809 2.474 0.918 0.591 0.963 0.685 CB 1.769 55 residues pruned to eliminate duplicates Z: 32 39.374 2.423 0.875 0.506 0.935 0.677 CB 1.654 32 residues pruned to eliminate duplicates Z: 55 68.147 2.485 0.951 0.591 0.981 0.611 CB 1.787 56 residues pruned to eliminate duplicates Z: 17 31.245 2.339 0.500 0.754 1.000 0.875 CB 1.776 17 residues pruned to eliminate duplicates Z: 21 33.164 2.286 0.792 0.631 1.000 0.800 CB 1.600 20 residues pruned to eliminate duplicates Z: 14 29.122 2.312 0.443 0.926 1.000 0.923 CB 1.698 14 residues pruned to eliminate duplicates Z: 57 58.384 2.431 0.894 0.586 0.911 0.679 CB 1.714 57 residues pruned to eliminate duplicates Z: 31 41.874 2.460 0.813 0.524 0.967 0.633 CB 1.732 32 residues pruned to eliminate duplicates Z: 16 31.703 2.154 0.634 0.922 1.000 0.933 CB 1.636 16 residues pruned to eliminate duplicates Z: 32 38.365 2.407 0.974 0.509 0.871 0.581 CB 1.651 32 residues pruned to eliminate duplicates Z: 21 34.400 2.387 0.897 0.644 0.850 0.750 CB 1.746 21 residues pruned to eliminate duplicates Z: 21 35.097 2.288 1.059 0.635 0.900 0.750 CB 1.631 21 residues pruned to eliminate duplicates Z: 30 43.666 2.502 0.972 0.520 0.931 0.759 CB 1.731 30 residues pruned to eliminate duplicates Z: 13 34.467 2.387 0.717 0.917 1.000 0.750 CB 1.713 13 residues pruned to eliminate duplicates Z: 16 37.852 2.141 0.908 0.928 1.000 0.800 CB 1.675 15 residues pruned to eliminate duplicates Z: 16 33.067 2.100 0.837 0.904 0.933 0.800 CB 1.689 16 residues pruned to eliminate duplicates Z: 32 39.411 2.384 1.003 0.522 0.935 0.581 CB 1.551 32 residues pruned to eliminate duplicates Z: 39 36.320 2.287 0.773 0.448 0.921 0.658 CB 1.664 39 residues pruned to eliminate duplicates Z: 17 15.607 2.144 0.538 0.446 0.812 0.562 CA 1.539 17 residues pruned to eliminate duplicates Z: 16 16.943 2.117 0.605 0.467 0.867 0.733 CA 1.536 16 residues pruned to eliminate duplicates Z: 16 17.646 2.153 0.603 0.474 0.867 0.667 CA 1.564 16 residues pruned to eliminate duplicates Z: 17 16.025 2.138 0.665 0.436 0.750 0.625 CA 1.603 17 residues pruned to eliminate duplicates Z: 22 16.340 1.996 0.542 0.465 0.810 0.571 CA 1.482 25 residues pruned to eliminate duplicates Z: 6 9.924 2.200 0.284 0.485 1.000 1.000 CA 1.595 6 residues pruned to eliminate duplicates Z: 18 17.181 2.067 0.545 0.383 0.824 0.647 CA 1.793 18 residues pruned to eliminate duplicates Z: 18 15.250 2.079 0.481 0.374 0.824 0.647 CA 1.669 18 residues pruned to eliminate duplicates Z: 16 16.049 2.142 0.524 0.366 0.867 0.733 CA 1.692 16 residues pruned to eliminate duplicates Z: 17 17.348 2.140 0.609 0.431 0.875 0.625 CA 1.547 16 residues pruned to eliminate duplicates Z: 6 4.448 1.825 0.051 0.464 0.800 0.400 CA 1.345 Z: 6 3.211 1.658 0.255 0.308 0.800 0.400 CA 1.068 3 residues pruned to eliminate duplicates Z: 6 5.674 1.824 0.536 0.411 0.800 0.800 CA 1.243 6 residues pruned to eliminate duplicates Z: 10 25.587 2.234 1.155 0.615 1.000 0.889 CB 1.589 10 residues pruned to eliminate duplicates Z: 12 19.230 2.061 1.013 0.563 0.909 0.636 CB 1.445 12 residues pruned to eliminate duplicates Z: 44 39.697 2.239 0.810 0.509 0.860 0.744 CB 1.721 44 residues pruned to eliminate duplicates Z: 101 57.478 2.266 0.824 0.457 0.900 0.650 CB 1.615 101 residues pruned to eliminate duplicates Z: 12 13.401 2.029 1.100 0.562 0.818 0.818 CB 1.091 12 residues pruned to eliminate duplicates Z: 33 40.123 2.203 0.887 0.609 0.938 0.781 CB 1.640 33 residues pruned to eliminate duplicates Z: 45 42.610 2.229 0.773 0.518 0.932 0.750 CB 1.714 47 residues pruned to eliminate duplicates Z: 6 7.581 1.712 1.169 0.335 0.800 0.400 CA 1.367 6 residues pruned to eliminate duplicates Z: 30 32.166 2.262 0.773 0.592 0.862 0.724 CB 1.583 30 residues pruned to eliminate duplicates Z: 20 28.236 2.263 1.210 0.495 0.789 0.789 CB 1.649 20 residues pruned to eliminate duplicates Z: 9 22.247 2.211 1.235 0.460 1.000 0.875 CA 1.658 9 residues pruned to eliminate duplicates Z: 22 31.746 2.113 0.824 0.653 0.952 0.762 CB 1.637 22 residues pruned to eliminate duplicates Z: 22 32.322 2.142 0.716 0.681 0.952 0.857 CB 1.706 22 residues pruned to eliminate duplicates Z: 106 52.817 2.239 0.755 0.433 0.876 0.638 CB 1.604 106 residues pruned to eliminate duplicates Z: 16 28.523 2.150 0.565 0.780 1.000 0.867 CB 1.710 16 residues pruned to eliminate duplicates Z: 68 42.312 2.197 0.614 0.494 0.925 0.687 CB 1.585 68 residues pruned to eliminate duplicates Z: 14 23.849 2.158 0.453 0.814 0.923 0.846 CB 1.739 14 residues pruned to eliminate duplicates Z: 23 26.265 2.128 0.621 0.578 0.909 0.682 CA 1.657 23 residues pruned to eliminate duplicates Z: 18 18.805 2.125 0.339 0.691 0.941 0.706 CB 1.429 18 residues pruned to eliminate duplicates Z: 18 20.989 2.063 0.501 0.692 0.941 0.706 CB 1.466 18 residues pruned to eliminate duplicates Z: 29 27.337 2.145 0.752 0.559 0.857 0.714 CB 1.515 29 residues pruned to eliminate duplicates Z: 20 19.711 2.023 0.460 0.640 0.895 0.632 CB 1.501 20 residues pruned to eliminate duplicates Z: 21 35.993 2.229 0.827 0.709 0.950 0.800 CB 1.720 21 residues pruned to eliminate duplicates Z: 18 18.133 1.975 0.574 0.667 0.882 0.647 CB 1.374 18 residues pruned to eliminate duplicates Z: 17 26.190 2.141 0.595 0.742 1.000 0.750 CB 1.544 17 residues pruned to eliminate duplicates Z: 142 68.440 2.276 0.837 0.433 0.887 0.511 CB 1.666 142 residues pruned to eliminate duplicates Z: 70 49.499 2.279 0.894 0.468 0.899 0.594 CB 1.586 70 residues pruned to eliminate duplicates Z: 49 34.419 2.239 0.674 0.404 0.896 0.688 CB 1.637 49 residues pruned to eliminate duplicates Z: 53 34.446 2.294 0.563 0.404 0.904 0.596 CB 1.629 53 residues pruned to eliminate duplicates Z: 53 41.401 2.299 0.905 0.408 0.904 0.558 CB 1.597 53 residues pruned to eliminate duplicates Z: 75 49.220 2.250 0.880 0.447 0.892 0.554 CB 1.602 75 residues pruned to eliminate duplicates Z: 71 39.862 2.277 0.754 0.380 0.871 0.614 CB 1.554 71 residues pruned to eliminate duplicates Z: 55 35.637 2.271 0.732 0.387 0.889 0.611 CB 1.565 55 residues pruned to eliminate duplicates Z: 65 43.272 2.303 0.806 0.407 0.891 0.594 CB 1.610 65 residues pruned to eliminate duplicates Z: 72 43.538 2.266 0.796 0.413 0.901 0.606 CB 1.543 72 residues pruned to eliminate duplicates Z: 99 50.905 2.256 0.763 0.456 0.867 0.633 CB 1.559 99 residues pruned to eliminate duplicates Z: 61 35.672 2.249 0.719 0.384 0.817 0.567 CB 1.649 61 residues pruned to eliminate duplicates Z: 71 41.437 2.239 0.764 0.422 0.857 0.657 CB 1.587 71 residues pruned to eliminate duplicates Z: 48 41.625 2.339 0.792 0.457 0.915 0.638 CB 1.654 48 residues pruned to eliminate duplicates Z: 73 47.003 2.316 0.842 0.386 0.917 0.583 CB 1.598 73 residues pruned to eliminate duplicates Z: 36 40.520 2.347 0.894 0.498 0.943 0.629 CB 1.638 36 residues pruned to eliminate duplicates Z: 38 40.079 2.292 0.916 0.497 0.919 0.595 CB 1.637 38 residues pruned to eliminate duplicates Z: 66 42.899 2.260 0.699 0.410 0.938 0.600 CB 1.622 66 residues pruned to eliminate duplicates Z: 65 44.136 2.270 0.862 0.398 0.891 0.562 CB 1.631 65 residues pruned to eliminate duplicates Z: 43 34.390 2.221 0.864 0.444 0.881 0.595 CB 1.542 43 residues pruned to eliminate duplicates Z: 56 38.938 2.241 0.813 0.404 0.927 0.636 CB 1.541 56 residues pruned to eliminate duplicates Z: 101 53.500 2.245 0.877 0.427 0.890 0.660 CB 1.540 101 residues pruned to eliminate duplicates Z: 64 44.828 2.249 0.916 0.413 0.921 0.635 CB 1.560 64 residues pruned to eliminate duplicates Z: 53 36.554 2.293 0.778 0.399 0.885 0.596 CB 1.564 53 residues pruned to eliminate duplicates Z: 90 38.894 2.176 0.721 0.378 0.865 0.551 CB 1.449 90 residues pruned to eliminate duplicates Z: 69 40.343 2.227 0.793 0.386 0.882 0.603 CB 1.567 69 residues pruned to eliminate duplicates Z: 69 46.928 2.272 0.789 0.475 0.912 0.603 CB 1.575 69 residues pruned to eliminate duplicates Z: 140 77.096 2.322 0.913 0.494 0.914 0.647 CB 1.620 140 residues pruned to eliminate duplicates Z: 65 42.820 2.268 0.871 0.415 0.875 0.625 CB 1.576 65 residues pruned to eliminate duplicates Z: 85 51.462 2.272 0.903 0.428 0.881 0.595 CB 1.590 85 residues pruned to eliminate duplicates Z: 88 53.324 2.252 0.868 0.479 0.897 0.655 CB 1.549 100 residues pruned to eliminate duplicates Z: 9 14.343 2.085 0.978 0.479 0.875 0.375 CB 1.436 9 residues pruned to eliminate duplicates Z: 61 42.276 2.263 0.877 0.391 0.900 0.567 CB 1.603 61 residues pruned to eliminate duplicates Z: 83 52.235 2.253 0.869 0.443 0.902 0.695 CB 1.611 83 residues pruned to eliminate duplicates Z: 67 43.076 2.296 0.803 0.386 0.909 0.667 CB 1.590 67 residues pruned to eliminate duplicates Z: 63 42.450 2.292 0.857 0.407 0.871 0.597 CB 1.605 63 residues pruned to eliminate duplicates Z: 65 42.985 2.224 0.917 0.408 0.875 0.641 CB 1.585 65 residues pruned to eliminate duplicates Z: 55 35.681 2.258 0.855 0.376 0.852 0.630 CB 1.553 55 residues pruned to eliminate duplicates Z: 46 38.650 2.318 0.774 0.435 0.933 0.689 CB 1.606 46 residues pruned to eliminate duplicates Z: 86 54.184 2.273 0.945 0.471 0.882 0.694 CB 1.551 86 residues pruned to eliminate duplicates Z: 99 59.736 2.271 0.990 0.439 0.888 0.592 CB 1.601 99 residues pruned to eliminate duplicates Z: 74 44.201 2.226 0.790 0.434 0.904 0.548 CB 1.537 74 residues pruned to eliminate duplicates Z: 73 41.039 2.252 0.806 0.411 0.833 0.611 CB 1.566 73 residues pruned to eliminate duplicates Z: 17 12.569 2.209 0.415 0.248 0.875 0.625 CB 1.537 17 residues pruned to eliminate duplicates Z: 83 56.121 2.242 1.014 0.480 0.902 0.622 CB 1.552 83 residues pruned to eliminate duplicates Z: 72 43.944 2.273 0.874 0.396 0.901 0.563 CB 1.516 72 residues pruned to eliminate duplicates Z: 71 44.911 2.299 0.879 0.396 0.886 0.557 CB 1.566 71 residues pruned to eliminate duplicates Z: 68 40.937 2.275 0.869 0.386 0.836 0.627 CB 1.588 68 residues pruned to eliminate duplicates Z: 68 49.078 2.262 0.911 0.475 0.910 0.612 CB 1.563 68 residues pruned to eliminate duplicates Z: 54 39.339 2.295 0.857 0.392 0.887 0.660 CB 1.603 54 residues pruned to eliminate duplicates Z: 88 45.744 2.226 0.875 0.380 0.851 0.586 CB 1.570 88 residues pruned to eliminate duplicates Z: 53 41.404 2.317 0.896 0.386 0.923 0.596 CB 1.598 53 residues pruned to eliminate duplicates Z: 84 54.166 2.255 0.905 0.471 0.916 0.614 CB 1.557 84 residues pruned to eliminate duplicates Z: 83 51.365 2.335 0.958 0.368 0.878 0.573 CB 1.628 83 residues pruned to eliminate duplicates Z: 25 13.249 2.133 0.559 0.286 0.708 0.500 CB 1.460 25 residues pruned to eliminate duplicates Z: 104 57.664 2.318 0.824 0.426 0.903 0.641 CB 1.607 104 residues pruned to eliminate duplicates Z: 102 54.915 2.236 0.937 0.437 0.871 0.554 CB 1.545 102 residues pruned to eliminate duplicates Z: 74 44.441 2.266 0.861 0.373 0.904 0.548 CB 1.563 74 residues pruned to eliminate duplicates Z: 76 42.021 2.230 0.751 0.405 0.893 0.627 CB 1.538 76 residues pruned to eliminate duplicates Z: 135 72.837 2.318 0.873 0.473 0.888 0.604 CB 1.677 135 residues pruned to eliminate duplicates Z: 98 55.470 2.233 0.924 0.415 0.887 0.577 CB 1.616 98 residues pruned to eliminate duplicates Z: 83 55.841 2.350 0.804 0.473 0.841 0.549 CB 1.776 83 residues pruned to eliminate duplicates Z: 10 7.414 1.902 0.575 0.304 0.667 0.222 CA 1.539 10 residues pruned to eliminate duplicates Z: 8 11.466 2.186 0.574 0.519 0.714 0.429 CB 1.730 8 residues pruned to eliminate duplicates Z: 106 66.853 2.373 0.866 0.446 0.895 0.590 CB 1.741 106 residues pruned to eliminate duplicates Z: 51 53.568 2.467 0.899 0.511 0.880 0.520 CB 1.818 51 residues pruned to eliminate duplicates Z: 77 61.445 2.475 0.842 0.511 0.882 0.605 CB 1.735 77 residues pruned to eliminate duplicates Z: 137 79.562 2.412 0.894 0.464 0.897 0.654 CB 1.727 137 residues pruned to eliminate duplicates Z: 22 29.091 2.387 0.935 0.353 0.857 0.476 CB 1.881 22 residues pruned to eliminate duplicates Z: 111 71.597 2.394 0.936 0.447 0.891 0.555 CB 1.746 111 residues pruned to eliminate duplicates Z: 65 63.127 2.519 1.010 0.436 0.906 0.609 CB 1.838 65 residues pruned to eliminate duplicates Z: 22 34.351 2.549 0.968 0.401 0.857 0.524 CB 1.935 22 residues pruned to eliminate duplicates Z: 44 40.445 2.424 0.688 0.459 0.884 0.535 CB 1.779 44 residues pruned to eliminate duplicates Z: 17 26.053 2.539 0.930 0.298 0.812 0.438 CA 2.051 17 residues pruned to eliminate duplicates Z: 23 32.663 2.399 1.133 0.418 0.818 0.364 CA 1.812 23 residues pruned to eliminate duplicates Z: 20 36.657 2.506 1.144 0.478 0.842 0.526 CB 1.901 20 residues pruned to eliminate duplicates Z: 51 49.991 2.458 0.866 0.494 0.860 0.520 CB 1.803 51 residues pruned to eliminate duplicates Z: 45 49.231 2.411 0.930 0.502 0.909 0.591 CB 1.751 45 residues pruned to eliminate duplicates Z: 23 35.192 2.488 0.975 0.418 0.864 0.591 CA 1.925 23 residues pruned to eliminate duplicates Z: 42 20.458 2.169 0.799 0.255 0.683 0.415 CB 1.588 42 residues pruned to eliminate duplicates Z: 38 43.549 2.411 0.812 0.525 0.892 0.459 CB 1.792 38 residues pruned to eliminate duplicates Z: 47 45.059 2.442 0.756 0.505 0.826 0.543 CB 1.866 47 residues pruned to eliminate duplicates Z: 12 8.988 1.905 0.518 0.261 0.818 0.273 CB 1.505 12 residues pruned to eliminate duplicates Z: 80 71.970 2.475 0.889 0.533 0.924 0.608 CB 1.814 80 residues pruned to eliminate duplicates Z: 67 60.257 2.463 0.942 0.454 0.894 0.515 CB 1.818 67 residues pruned to eliminate duplicates Z: 56 56.788 2.451 0.704 0.582 0.945 0.764 CB 1.793 56 residues pruned to eliminate duplicates Z: 16 16.737 2.244 0.630 0.384 0.867 0.333 CB 1.542 16 residues pruned to eliminate duplicates Z: 51 53.644 2.430 0.884 0.530 0.920 0.520 CB 1.748 51 residues pruned to eliminate duplicates Z: 66 60.711 2.528 0.898 0.460 0.892 0.600 CB 1.833 66 residues pruned to eliminate duplicates Z: 77 64.521 2.480 0.815 0.512 0.908 0.592 CB 1.789 77 residues pruned to eliminate duplicates Z: 33 39.614 2.323 0.687 0.605 0.969 0.594 CB 1.669 33 residues pruned to eliminate duplicates Z: 36 26.550 2.257 0.634 0.424 0.857 0.486 CB 1.536 36 residues pruned to eliminate duplicates Z: 30 47.296 2.442 0.851 0.620 1.000 0.552 CB 1.735 30 residues pruned to eliminate duplicates Z: 45 45.759 2.370 0.888 0.501 0.886 0.568 CB 1.738 45 residues pruned to eliminate duplicates Z: 29 45.397 2.437 0.852 0.653 0.929 0.643 CB 1.774 29 residues pruned to eliminate duplicates Z: 49 49.044 2.397 0.872 0.496 0.875 0.583 CB 1.811 49 residues pruned to eliminate duplicates Z: 78 62.379 2.459 0.881 0.514 0.883 0.688 CB 1.715 78 residues pruned to eliminate duplicates Z: 66 62.258 2.451 0.842 0.546 0.923 0.646 CB 1.771 66 residues pruned to eliminate duplicates Z: 30 43.492 2.412 0.861 0.617 0.931 0.552 CB 1.729 30 residues pruned to eliminate duplicates Z: 45 52.777 2.518 0.933 0.501 0.932 0.500 CB 1.753 45 residues pruned to eliminate duplicates Z: 61 63.335 2.456 0.862 0.568 0.967 0.667 CB 1.732 61 residues pruned to eliminate duplicates Z: 51 56.346 2.453 0.981 0.508 0.900 0.500 CB 1.808 51 residues pruned to eliminate duplicates Z: 58 61.491 2.431 0.884 0.577 0.982 0.702 CB 1.680 58 residues pruned to eliminate duplicates Z: 57 61.517 2.452 0.823 0.573 0.982 0.607 CB 1.745 57 residues pruned to eliminate duplicates Z: 58 61.393 2.428 0.914 0.566 0.965 0.614 CB 1.701 58 residues pruned to eliminate duplicates Z: 155 86.551 2.358 0.955 0.498 0.909 0.610 CB 1.666 155 residues pruned to eliminate duplicates Z: 57 66.923 2.499 0.907 0.599 0.964 0.714 CB 1.771 57 residues pruned to eliminate duplicates Z: 32 45.075 2.360 1.000 0.578 0.935 0.548 CB 1.700 32 residues pruned to eliminate duplicates Z: 58 64.068 2.466 0.885 0.585 0.982 0.684 CB 1.714 58 residues pruned to eliminate duplicates Z: 37 62.130 2.536 1.046 0.583 1.000 0.583 CB 1.842 37 residues pruned to eliminate duplicates Z: 78 64.000 2.476 0.827 0.526 0.896 0.597 CB 1.754 78 residues pruned to eliminate duplicates Z: 45 45.233 2.416 0.947 0.401 0.932 0.568 CB 1.728 45 residues pruned to eliminate duplicates Z: 33 35.692 2.413 0.725 0.508 0.938 0.688 CB 1.604 33 residues pruned to eliminate duplicates Z: 56 52.994 2.388 0.870 0.526 0.964 0.618 CB 1.619 56 residues pruned to eliminate duplicates Z: 77 61.961 2.420 0.914 0.502 0.895 0.526 CB 1.712 77 residues pruned to eliminate duplicates Z: 58 59.557 2.439 0.882 0.595 0.947 0.684 CB 1.657 58 residues pruned to eliminate duplicates Z: 32 33.053 2.427 0.567 0.559 0.903 0.742 CB 1.631 32 residues pruned to eliminate duplicates Z: 57 65.496 2.498 0.912 0.593 0.964 0.643 CB 1.738 57 residues pruned to eliminate duplicates Z: 31 44.685 2.504 0.882 0.534 0.967 0.767 CB 1.731 31 residues pruned to eliminate duplicates Z: 20 34.476 2.473 0.673 0.671 0.947 0.684 CB 1.724 20 residues pruned to eliminate duplicates Z: 21 31.664 2.356 0.661 0.681 0.950 0.850 CB 1.612 21 residues pruned to eliminate duplicates Z: 20 38.556 2.398 0.696 0.713 1.000 0.789 CB 1.792 20 residues pruned to eliminate duplicates Z: 32 38.540 2.419 0.774 0.547 0.968 0.677 CB 1.592 32 residues pruned to eliminate duplicates Z: 67 60.271 2.521 0.931 0.469 0.894 0.515 CB 1.759 67 residues pruned to eliminate duplicates Z: 56 68.695 2.507 0.916 0.607 0.964 0.636 CB 1.807 56 residues pruned to eliminate duplicates Z: 20 36.427 2.488 0.767 0.665 0.947 0.684 CB 1.722 20 residues pruned to eliminate duplicates Z: 31 41.995 2.457 0.872 0.561 0.967 0.700 CB 1.625 31 residues pruned to eliminate duplicates Z: 20 37.289 2.456 0.963 0.680 0.895 0.632 CB 1.681 20 residues pruned to eliminate duplicates Z: 55 49.279 2.335 0.996 0.517 0.907 0.611 CB 1.560 55 residues pruned to eliminate duplicates Z: 21 40.874 2.321 1.059 0.648 1.000 0.600 CB 1.666 21 residues pruned to eliminate duplicates Z: 15 33.343 2.112 0.985 0.876 1.000 0.714 CB 1.545 15 residues pruned to eliminate duplicates Z: 55 59.730 2.427 1.077 0.558 0.963 0.500 CB 1.582 55 residues pruned to eliminate duplicates Z: 20 42.490 2.386 1.093 0.682 1.000 0.789 CB 1.652 20 residues pruned to eliminate duplicates Z: 14 32.776 2.237 0.887 0.903 1.000 0.846 CB 1.535 14 residues pruned to eliminate duplicates Z: 20 42.675 2.466 1.111 0.679 0.947 0.684 CB 1.684 20 residues pruned to eliminate duplicates Z: 13 37.360 2.235 1.105 0.926 1.000 0.833 CB 1.608 13 residues pruned to eliminate duplicates Z: 72 68.557 2.427 1.055 0.544 0.915 0.577 CB 1.707 72 residues pruned to eliminate duplicates Z: 18 17.274 2.261 0.645 0.404 0.765 0.706 CB 1.630 Z: 6 3.735 1.488 0.544 0.426 0.800 0.400 CA 0.981 6 residues pruned to eliminate duplicates Z: 18 22.829 2.245 0.711 0.455 0.941 0.647 CA 1.603 18 residues pruned to eliminate duplicates Z: 7 7.132 2.224 0.274 0.430 0.833 0.667 CB 1.326 7 residues pruned to eliminate duplicates Z: 17 20.857 2.416 0.609 0.424 0.812 0.688 CA 1.786 17 residues pruned to eliminate duplicates Z: 7 7.069 2.021 0.607 0.348 1.000 0.333 CA 1.048 7 residues pruned to eliminate duplicates Z: 17 25.703 2.304 0.816 0.488 0.938 0.812 CA 1.659 18 residues pruned to eliminate duplicates Z: 6 12.113 1.824 1.120 0.467 1.000 0.400 CB 1.449 6 residues pruned to eliminate duplicates Z: 17 23.334 2.407 0.664 0.416 0.875 0.688 CA 1.818 17 residues pruned to eliminate duplicates Z: 16 24.287 2.394 0.688 0.503 0.867 0.800 CB 1.785 16 residues pruned to eliminate duplicates 371 residues left after pruning, divided into chains as follows: A: 6 B: 155 C: 20 D: 175 E: 15 CC for partial structure against native data = 41.52 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.530, Connect. = 0.758 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 = 0.743, Connect. = 0.819 for dens.mod. cycle 4 = 0.300, Contrast = 0.758, Connect. = 0.822 for dens.mod. cycle 5 = 0.300, Contrast = 0.764, Connect. = 0.824 for dens.mod. cycle 6 = 0.300, Contrast = 0.771, Connect. = 0.825 for dens.mod. cycle 7 = 0.300, Contrast = 0.773, Connect. = 0.826 for dens.mod. cycle 8 = 0.300, Contrast = 0.777, Connect. = 0.827 for dens.mod. cycle 9 = 0.300, Contrast = 0.777, Connect. = 0.827 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.52 - 2.77 - 2.41 - 2.19 - 2.03 - 1.91 - 1.81 - 1.73 - 1.66 - 1.61 0.742 0.747 0.804 0.801 0.778 0.789 0.792 0.768 0.738 0.716 0.884 0.878 0.935 0.918 0.892 0.905 0.907 0.880 0.844 0.813 N 6875 6965 6987 6803 6938 6835 7144 6938 7262 5932 Estimated mean FOM = 0.768 Pseudo-free CC = 78.54 % TimeTaking 226.95