null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 20:56:46 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: ./2f4p-1.9-parrot-mrncs/2f4p-1.9-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2f4p-1.9-parrot-mrncs/2f4p-1.9-parrot-mrncs.ins Phases from ./2f4p-1.9-parrot-mrncs/2f4p-1.9-parrot-mrncs.phi Native data from ./2f4p-1.9-parrot-mrncs/2f4p-1.9-parrot-mrncs.hkl Listing output to ./2f4p-1.9-parrot-mrncs/2f4p-1.9-parrot-mrncs.lst Phases output to ./2f4p-1.9-parrot-mrncs/2f4p-1.9-parrot-mrncs.phs Poly-Ala trace output to ./2f4p-1.9-parrot-mrncs/2f4p-1.9-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 65 Allowed origin shift code: 8 43047 Reflections read from file ./2f4p-1.9-parrot-mrncs/2f4p-1.9-parrot-mrncs.phi 43047 Reflections read from file ./2f4p-1.9-parrot-mrncs/2f4p-1.9-parrot-mrncs.hkl 43047 Unique data, highest resolution = 1.900 Angstroms Anisotropic scaling: intensities multiplied by -0.000105h^2 -0.000105k^2 +0.000032l^2 +0.000000kl +0.000000hl -0.000105hk 32 Reflections with d > 2.100 and 0 in range 2.100 > d > 1.900 added Density sharpening factor set to 0.90 Fourier grid = 128 x 128 x 50 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.756 = 0.300, Contrast = 0.332, Connect. = 0.685 for dens.mod. cycle 1 = 0.300, Contrast = 0.384, Connect. = 0.693 for dens.mod. cycle 2 = 0.300, Contrast = 0.475, Connect. = 0.731 for dens.mod. cycle 3 = 0.300, Contrast = 0.501, Connect. = 0.740 for dens.mod. cycle 4 = 0.300, Contrast = 0.519, Connect. = 0.746 for dens.mod. cycle 5 = 0.300, Contrast = 0.530, Connect. = 0.750 for dens.mod. cycle 6 = 0.300, Contrast = 0.539, Connect. = 0.753 for dens.mod. cycle 7 = 0.300, Contrast = 0.544, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.548, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.551, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2724 peaks > 0.5 sigma used to seed fragment search Space for about 617 unique residues taking solvent into account 576 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 45 35.454 2.293 0.870 0.490 0.864 0.636 CB 1.457 B: 46 34.240 2.175 0.823 0.521 0.889 0.489 CB 1.418 C: 57 32.784 2.202 0.891 0.444 0.839 0.482 CB 1.329 56 residues pruned to eliminate duplicates D: 49 31.693 2.223 0.963 0.421 0.833 0.479 CB 1.366 14 residues pruned to eliminate duplicates E: 19 24.583 1.996 1.018 0.500 0.944 0.444 CB 1.523 F: 11 14.207 1.932 0.759 0.530 0.900 0.700 CA 1.427 G: 69 34.989 2.197 0.817 0.475 0.868 0.515 CB 1.256 51 residues pruned to eliminate duplicates H: 27 16.761 2.198 0.774 0.325 0.731 0.500 CB 1.398 27 residues pruned to eliminate duplicates I: 26 25.633 2.046 0.936 0.433 0.920 0.760 CA 1.508 J: 13 17.305 1.886 0.857 0.560 0.917 0.500 CA 1.467 11 residues pruned to eliminate duplicates K: 10 12.127 1.905 0.911 0.440 0.889 0.556 CA 1.329 10 residues pruned to eliminate duplicates L: 39 21.302 1.923 0.773 0.401 0.842 0.632 CB 1.335 25 residues pruned to eliminate duplicates M: 16 18.620 2.009 1.074 0.478 0.800 0.600 CA 1.475 12 residues pruned to eliminate duplicates N: 34 19.361 1.871 0.880 0.431 0.879 0.515 CB 1.171 23 residues pruned to eliminate duplicates O: 35 25.903 2.014 0.746 0.374 0.971 0.618 CB 1.488 P: 33 31.569 2.154 1.119 0.575 0.812 0.625 CB 1.400 34 residues pruned to eliminate duplicates Q: 49 35.491 2.184 1.047 0.460 0.833 0.562 CB 1.433 49 residues pruned to eliminate duplicates R: 9 7.332 2.147 1.139 0.394 0.625 0.500 CB 1.010 9 residues pruned to eliminate duplicates S: 24 18.599 2.024 0.852 0.382 0.826 0.522 CB 1.421 24 residues pruned to eliminate duplicates T: 29 24.975 2.030 0.902 0.371 0.929 0.679 CA 1.512 29 residues pruned to eliminate duplicates U: 27 23.944 2.110 0.951 0.447 0.846 0.423 CB 1.425 27 residues pruned to eliminate duplicates V: 14 25.475 2.115 1.104 0.577 0.923 0.692 CA 1.596 14 residues pruned to eliminate duplicates W: 30 26.327 2.046 0.857 0.421 0.897 0.621 CB 1.558 30 residues pruned to eliminate duplicates X: 11 18.843 1.957 1.049 0.553 0.900 0.600 CA 1.568 11 residues pruned to eliminate duplicates Y: 27 25.113 2.060 0.990 0.422 0.923 0.769 CB 1.412 29 residues pruned to eliminate duplicates Z: 46 31.722 2.204 0.918 0.487 0.889 0.511 CB 1.274 46 residues pruned to eliminate duplicates Z: 24 31.217 2.152 1.070 0.533 0.913 0.783 CB 1.549 24 residues pruned to eliminate duplicates Z: 18 24.750 2.265 0.912 0.536 0.882 0.765 CB 1.515 18 residues pruned to eliminate duplicates Z: 28 23.852 2.121 0.867 0.434 0.852 0.519 CB 1.457 28 residues pruned to eliminate duplicates Z: 79 38.477 2.133 0.893 0.451 0.872 0.474 CB 1.302 79 residues pruned to eliminate duplicates Z: 17 18.308 1.956 0.933 0.456 0.938 0.625 CB 1.351 Z: 32 18.201 1.978 0.561 0.505 0.935 0.516 CB 1.126 Z: 13 11.732 1.842 0.744 0.365 0.833 0.417 CA 1.463 13 residues pruned to eliminate duplicates Z: 47 25.151 2.128 0.634 0.434 0.870 0.543 CB 1.312 47 residues pruned to eliminate duplicates Z: 16 7.943 1.778 0.599 0.367 0.733 0.400 CB 1.135 16 residues pruned to eliminate duplicates Z: 8 10.127 2.191 1.077 0.480 0.714 0.571 CB 1.202 8 residues pruned to eliminate duplicates Z: 9 13.026 1.901 0.747 0.546 1.000 0.750 CB 1.326 Z: 62 31.225 2.053 0.813 0.455 0.852 0.443 CB 1.320 62 residues pruned to eliminate duplicates Z: 66 33.890 2.103 0.758 0.511 0.877 0.554 CB 1.282 48 residues pruned to eliminate duplicates Z: 16 23.458 2.074 1.230 0.531 0.867 0.600 CA 1.466 16 residues pruned to eliminate duplicates Z: 21 20.139 2.150 1.045 0.373 0.850 0.500 CB 1.380 21 residues pruned to eliminate duplicates Z: 10 10.752 1.918 0.677 0.485 0.778 0.444 CA 1.454 10 residues pruned to eliminate duplicates Z: 32 19.595 1.994 0.638 0.495 0.935 0.581 CB 1.158 Z: 12 17.999 2.038 0.760 0.532 1.000 0.727 CA 1.466 12 residues pruned to eliminate duplicates Z: 36 22.209 1.879 0.953 0.424 0.857 0.514 CB 1.291 33 residues pruned to eliminate duplicates Z: 35 29.963 2.052 0.978 0.425 0.882 0.471 CB 1.550 36 residues pruned to eliminate duplicates Z: 41 37.222 2.160 1.133 0.495 0.850 0.575 CB 1.510 41 residues pruned to eliminate duplicates Z: 19 14.931 2.187 0.460 0.431 0.778 0.500 CB 1.523 19 residues pruned to eliminate duplicates Z: 55 32.444 2.112 0.878 0.430 0.815 0.519 CB 1.468 55 residues pruned to eliminate duplicates Z: 12 6.493 2.033 0.893 0.359 0.636 0.364 CB 0.930 12 residues pruned to eliminate duplicates Z: 19 19.531 1.912 1.008 0.519 1.000 0.611 CB 1.176 20 residues pruned to eliminate duplicates Z: 28 17.710 2.056 0.591 0.396 0.815 0.519 CB 1.427 28 residues pruned to eliminate duplicates Z: 23 20.814 1.907 1.053 0.527 0.864 0.500 CB 1.278 19 residues pruned to eliminate duplicates Z: 40 24.946 2.109 0.736 0.506 0.846 0.641 CB 1.283 40 residues pruned to eliminate duplicates Z: 65 34.207 2.113 0.881 0.461 0.875 0.484 CB 1.279 65 residues pruned to eliminate duplicates Z: 32 22.303 2.098 0.899 0.507 0.903 0.548 CB 1.105 32 residues pruned to eliminate duplicates Z: 26 29.536 2.062 0.878 0.523 0.960 0.560 CB 1.554 26 residues pruned to eliminate duplicates Z: 18 21.654 2.079 1.120 0.530 0.765 0.647 CB 1.513 18 residues pruned to eliminate duplicates Z: 49 28.793 1.974 0.849 0.465 0.896 0.667 CB 1.318 46 residues pruned to eliminate duplicates Z: 30 15.590 1.915 0.633 0.371 0.828 0.517 CB 1.283 15 residues pruned to eliminate duplicates Z: 37 21.841 1.932 0.854 0.475 0.833 0.611 CB 1.251 37 residues pruned to eliminate duplicates Z: 16 19.905 2.035 1.182 0.482 0.933 0.733 CB 1.262 16 residues pruned to eliminate duplicates Z: 25 18.186 1.938 0.672 0.511 0.875 0.500 CB 1.295 25 residues pruned to eliminate duplicates Z: 60 32.330 1.982 0.820 0.462 0.932 0.661 CB 1.302 50 residues pruned to eliminate duplicates Z: 17 13.443 1.876 0.638 0.489 0.875 0.625 CB 1.263 Z: 16 18.046 2.103 0.623 0.623 0.933 0.600 CB 1.303 16 residues pruned to eliminate duplicates Z: 53 28.826 1.888 1.014 0.408 0.923 0.615 CB 1.254 53 residues pruned to eliminate duplicates Z: 17 8.841 2.000 0.553 0.489 0.750 0.500 CB 0.959 17 residues pruned to eliminate duplicates Z: 13 8.676 2.055 0.387 0.382 0.833 0.417 CB 1.195 13 residues pruned to eliminate duplicates Z: 6 6.425 1.567 0.611 0.822 0.800 0.600 N 1.076 6 residues pruned to eliminate duplicates Z: 29 26.660 2.155 0.880 0.506 0.857 0.500 CB 1.441 29 residues pruned to eliminate duplicates Z: 10 7.210 2.006 0.415 0.438 0.889 0.444 CB 1.016 10 residues pruned to eliminate duplicates Z: 51 35.603 2.209 0.822 0.489 0.940 0.560 CB 1.346 51 residues pruned to eliminate duplicates Z: 12 20.814 2.008 1.034 0.655 0.909 0.636 CA 1.463 12 residues pruned to eliminate duplicates Z: 16 17.625 2.138 0.575 0.592 0.933 0.533 CB 1.326 16 residues pruned to eliminate duplicates Z: 24 23.550 2.060 0.815 0.355 0.957 0.435 CA 1.605 24 residues pruned to eliminate duplicates Z: 65 38.856 2.069 0.996 0.432 0.891 0.500 CB 1.417 65 residues pruned to eliminate duplicates Z: 29 18.724 1.874 0.748 0.467 0.893 0.679 CB 1.252 29 residues pruned to eliminate duplicates Z: 51 37.030 2.214 1.003 0.468 0.900 0.580 CB 1.356 51 residues pruned to eliminate duplicates Z: 31 24.606 2.118 0.879 0.462 0.867 0.500 CB 1.354 31 residues pruned to eliminate duplicates Z: 10 13.477 1.838 0.957 0.653 0.889 0.556 CB 1.219 10 residues pruned to eliminate duplicates Z: 35 32.594 2.148 0.921 0.510 0.912 0.471 CB 1.471 35 residues pruned to eliminate duplicates Z: 23 22.637 2.035 1.223 0.444 0.818 0.591 CB 1.382 23 residues pruned to eliminate duplicates Z: 13 13.887 2.098 1.003 0.338 0.833 0.500 CB 1.366 13 residues pruned to eliminate duplicates Z: 29 23.203 2.079 0.781 0.478 0.929 0.500 CB 1.305 29 residues pruned to eliminate duplicates Z: 23 22.774 2.238 0.788 0.445 0.864 0.545 CB 1.486 23 residues pruned to eliminate duplicates Z: 9 10.962 2.053 0.920 0.367 0.875 0.625 CB 1.296 9 residues pruned to eliminate duplicates Z: 38 18.188 1.909 0.651 0.451 0.865 0.486 CB 1.154 33 residues pruned to eliminate duplicates Z: 35 31.452 2.145 0.973 0.508 0.882 0.618 CB 1.433 35 residues pruned to eliminate duplicates Z: 59 33.466 1.994 0.920 0.455 0.862 0.569 CB 1.395 59 residues pruned to eliminate duplicates Z: 30 21.514 2.009 0.704 0.512 0.931 0.621 CB 1.238 31 residues pruned to eliminate duplicates Z: 9 6.956 1.537 1.003 0.457 0.750 0.625 CA 1.113 9 residues pruned to eliminate duplicates Z: 16 19.904 2.238 0.917 0.439 0.800 0.533 CB 1.595 16 residues pruned to eliminate duplicates Z: 20 16.775 1.993 0.691 0.476 0.842 0.526 CB 1.389 20 residues pruned to eliminate duplicates Z: 11 30.156 2.205 1.176 0.760 0.900 0.800 CA 1.753 12 residues pruned to eliminate duplicates Z: 17 17.138 1.946 0.899 0.546 0.812 0.625 CB 1.363 17 residues pruned to eliminate duplicates Z: 67 28.840 1.955 0.788 0.406 0.909 0.530 CB 1.233 71 residues pruned to eliminate duplicates Z: 7 9.439 1.546 0.714 0.860 1.000 0.833 N 1.069 7 residues pruned to eliminate duplicates Z: 27 24.857 2.013 0.853 0.452 0.923 0.731 CB 1.487 27 residues pruned to eliminate duplicates Z: 55 31.888 2.084 0.861 0.549 0.907 0.574 CB 1.175 49 residues pruned to eliminate duplicates Z: 20 21.152 2.027 1.022 0.460 0.947 0.579 CB 1.301 20 residues pruned to eliminate duplicates Z: 9 12.733 2.235 0.631 0.548 0.875 0.750 CB 1.348 9 residues pruned to eliminate duplicates Z: 13 11.516 1.862 0.890 0.464 0.833 0.500 CB 1.175 13 residues pruned to eliminate duplicates Z: 23 26.149 2.180 0.983 0.483 0.864 0.591 CB 1.519 23 residues pruned to eliminate duplicates Z: 9 8.217 1.971 0.384 0.277 0.875 0.625 CB 1.567 9 residues pruned to eliminate duplicates Z: 8 5.975 1.836 0.621 0.590 0.714 0.714 CB 0.974 8 residues pruned to eliminate duplicates Z: 57 19.846 1.941 0.775 0.401 0.732 0.518 CB 1.167 57 residues pruned to eliminate duplicates Z: 8 6.814 1.613 0.882 0.592 0.857 0.429 CB 0.907 Z: 25 15.604 1.911 0.710 0.423 0.875 0.583 CB 1.207 18 residues pruned to eliminate duplicates Z: 9 10.099 1.670 0.725 0.586 1.000 0.750 CB 1.141 Z: 41 20.937 1.988 0.720 0.451 0.850 0.525 CB 1.198 41 residues pruned to eliminate duplicates Z: 35 23.467 2.029 1.032 0.452 0.794 0.471 CB 1.291 35 residues pruned to eliminate duplicates Z: 10 10.833 1.879 0.569 0.414 0.889 0.556 CA 1.507 10 residues pruned to eliminate duplicates Z: 19 8.307 1.846 0.910 0.312 0.667 0.389 CB 1.026 19 residues pruned to eliminate duplicates Z: 31 21.342 2.165 0.693 0.433 0.833 0.400 CB 1.368 31 residues pruned to eliminate duplicates Z: 9 10.753 1.863 0.971 0.662 0.875 0.625 CB 1.018 9 residues pruned to eliminate duplicates Z: 60 35.707 2.217 0.832 0.443 0.881 0.475 CB 1.378 60 residues pruned to eliminate duplicates Z: 31 16.638 1.901 0.652 0.472 0.867 0.467 CB 1.148 32 residues pruned to eliminate duplicates Z: 9 5.636 1.706 0.754 0.448 0.750 0.750 CB 0.937 9 residues pruned to eliminate duplicates Z: 7 4.557 1.772 0.253 0.383 0.833 0.333 CB 1.139 7 residues pruned to eliminate duplicates Z: 25 30.375 2.210 1.004 0.482 0.917 0.500 CB 1.555 24 residues pruned to eliminate duplicates Z: 24 18.940 2.102 0.693 0.493 0.913 0.348 CB 1.224 24 residues pruned to eliminate duplicates Z: 34 18.215 1.936 0.559 0.372 0.939 0.545 CB 1.282 19 residues pruned to eliminate duplicates Z: 7 8.506 1.890 0.099 0.751 1.000 0.833 CB 1.336 7 residues pruned to eliminate duplicates Z: 13 13.745 1.981 0.846 0.440 0.833 0.417 CB 1.385 13 residues pruned to eliminate duplicates Z: 31 15.466 1.914 0.524 0.441 0.800 0.567 CB 1.286 31 residues pruned to eliminate duplicates Z: 23 13.845 1.851 0.746 0.416 0.909 0.409 CB 1.097 Z: 69 30.673 2.089 0.780 0.411 0.868 0.500 CB 1.266 69 residues pruned to eliminate duplicates Z: 22 13.107 1.927 0.628 0.464 0.905 0.571 CB 1.045 21 residues pruned to eliminate duplicates Z: 33 15.626 1.978 0.604 0.497 0.812 0.531 CB 1.074 33 residues pruned to eliminate duplicates Z: 17 7.457 1.644 0.489 0.432 0.812 0.500 CB 1.006 17 residues pruned to eliminate duplicates Z: 12 11.812 1.829 0.780 0.481 0.909 0.364 CB 1.226 13 residues pruned to eliminate duplicates Z: 22 13.244 1.890 0.584 0.530 0.857 0.619 CB 1.093 22 residues pruned to eliminate duplicates Z: 11 18.057 2.127 0.467 0.596 1.000 0.800 CA 1.670 11 residues pruned to eliminate duplicates Z: 7 9.629 2.104 0.500 0.534 1.000 0.667 CB 1.204 7 residues pruned to eliminate duplicates Z: 76 31.715 1.975 0.878 0.434 0.853 0.560 CB 1.238 76 residues pruned to eliminate duplicates Z: 13 14.849 1.957 1.189 0.493 0.750 0.583 CB 1.343 13 residues pruned to eliminate duplicates Z: 36 21.672 2.062 0.983 0.435 0.857 0.400 CB 1.117 36 residues pruned to eliminate duplicates Z: 6 7.521 1.513 0.629 0.828 1.000 0.600 CA 1.027 6 residues pruned to eliminate duplicates Z: 9 13.728 1.897 0.884 0.641 0.875 0.750 CA 1.360 9 residues pruned to eliminate duplicates Z: 9 8.942 1.973 0.657 0.546 0.750 0.625 CA 1.233 9 residues pruned to eliminate duplicates Z: 35 21.001 2.021 0.787 0.530 0.794 0.529 CB 1.219 35 residues pruned to eliminate duplicates Z: 11 12.247 1.773 0.694 0.796 1.000 0.900 CB 0.995 11 residues pruned to eliminate duplicates Z: 28 23.224 2.130 0.646 0.494 0.852 0.444 CB 1.506 28 residues pruned to eliminate duplicates Z: 33 18.093 1.931 0.552 0.510 0.906 0.469 CB 1.166 33 residues pruned to eliminate duplicates Z: 41 21.428 2.019 0.710 0.330 0.825 0.475 CB 1.434 41 residues pruned to eliminate duplicates Z: 23 11.048 1.892 0.612 0.323 0.909 0.455 CB 1.033 23 residues pruned to eliminate duplicates Z: 17 16.592 1.996 0.596 0.601 0.938 0.688 CB 1.262 17 residues pruned to eliminate duplicates Z: 10 12.362 2.009 0.865 0.457 0.778 0.556 CB 1.478 10 residues pruned to eliminate duplicates Z: 12 9.921 1.708 1.111 0.593 0.727 0.545 CB 1.044 12 residues pruned to eliminate duplicates Z: 27 18.355 1.948 0.848 0.446 0.885 0.500 CB 1.195 27 residues pruned to eliminate duplicates Z: 22 9.951 1.832 0.657 0.312 0.762 0.333 CB 1.156 22 residues pruned to eliminate duplicates Z: 9 11.342 2.216 0.426 0.441 0.875 0.625 CB 1.541 9 residues pruned to eliminate duplicates Z: 49 34.489 2.204 0.801 0.493 0.875 0.604 CB 1.444 49 residues pruned to eliminate duplicates Z: 13 11.250 1.826 0.590 0.545 0.833 0.583 CB 1.285 13 residues pruned to eliminate duplicates Z: 30 19.668 1.946 0.884 0.400 0.828 0.517 CB 1.338 30 residues pruned to eliminate duplicates Z: 37 13.468 1.757 0.578 0.451 0.861 0.611 CB 0.988 37 residues pruned to eliminate duplicates Z: 44 25.603 1.863 0.941 0.404 0.907 0.465 CB 1.318 39 residues pruned to eliminate duplicates Z: 12 10.157 1.875 0.510 0.685 0.818 0.364 CB 1.116 12 residues pruned to eliminate duplicates Z: 37 23.907 1.941 0.888 0.405 0.917 0.556 CB 1.311 37 residues pruned to eliminate duplicates Z: 10 17.134 1.923 0.842 0.622 1.000 0.667 CB 1.437 10 residues pruned to eliminate duplicates Z: 40 25.290 1.897 0.977 0.427 0.897 0.538 CB 1.298 37 residues pruned to eliminate duplicates Z: 29 14.433 2.011 0.456 0.481 0.821 0.464 CB 1.156 29 residues pruned to eliminate duplicates Z: 33 18.368 1.906 0.667 0.448 0.844 0.469 CB 1.278 33 residues pruned to eliminate duplicates Z: 26 23.567 2.095 1.008 0.457 0.840 0.480 CA 1.394 26 residues pruned to eliminate duplicates Z: 30 21.748 1.940 0.692 0.507 1.000 0.621 CB 1.222 30 residues pruned to eliminate duplicates Z: 6 2.454 1.541 -0.020 0.567 0.600 0.600 CB 1.136 Z: 44 26.514 2.109 0.878 0.440 0.884 0.581 CB 1.228 44 residues pruned to eliminate duplicates Z: 12 15.200 1.992 1.060 0.436 0.818 0.636 CB 1.458 12 residues pruned to eliminate duplicates Z: 8 5.085 1.546 0.865 0.337 1.000 0.571 CA 0.797 8 residues pruned to eliminate duplicates Z: 24 25.135 2.124 0.817 0.505 0.913 0.696 CB 1.481 24 residues pruned to eliminate duplicates Z: 15 11.264 1.843 0.864 0.342 0.786 0.643 CB 1.325 15 residues pruned to eliminate duplicates Z: 7 8.651 1.892 0.819 0.889 1.000 1.000 CB 0.739 9 residues pruned to eliminate duplicates Z: 31 13.246 1.777 0.510 0.443 0.900 0.500 CB 1.061 17 residues pruned to eliminate duplicates Z: 10 7.119 1.841 1.034 0.320 0.889 0.444 CB 0.869 10 residues pruned to eliminate duplicates Z: 6 6.354 1.772 -0.025 0.640 1.000 0.800 CB 1.442 Z: 7 6.119 1.863 0.889 0.878 1.000 1.000 CB 0.515 7 residues pruned to eliminate duplicates Z: 44 28.292 2.098 0.895 0.516 0.884 0.535 CB 1.209 44 residues pruned to eliminate duplicates Z: 28 20.868 2.013 0.698 0.551 0.852 0.519 CB 1.312 28 residues pruned to eliminate duplicates Z: 18 16.117 2.052 0.885 0.379 0.824 0.471 CB 1.396 18 residues pruned to eliminate duplicates Z: 80 35.231 2.103 0.890 0.381 0.835 0.481 CB 1.354 80 residues pruned to eliminate duplicates Z: 46 18.202 1.875 0.575 0.444 0.822 0.489 CB 1.183 45 residues pruned to eliminate duplicates Z: 23 22.653 2.068 0.627 0.401 1.000 0.591 CA 1.593 23 residues pruned to eliminate duplicates Z: 29 17.424 1.926 0.915 0.447 0.857 0.607 CB 1.100 29 residues pruned to eliminate duplicates Z: 6 8.415 1.802 0.480 0.710 1.000 0.800 CA 1.166 7 residues pruned to eliminate duplicates Z: 59 32.732 2.146 0.759 0.481 0.897 0.517 CB 1.294 59 residues pruned to eliminate duplicates Z: 19 13.220 1.800 0.636 0.709 0.833 0.500 CB 1.051 19 residues pruned to eliminate duplicates Z: 26 14.049 1.849 0.655 0.496 0.880 0.680 CB 1.048 26 residues pruned to eliminate duplicates Z: 8 4.549 1.464 0.550 0.533 0.714 0.571 CB 1.027 8 residues pruned to eliminate duplicates Z: 12 7.541 1.704 0.492 0.582 0.818 0.636 CB 1.010 12 residues pruned to eliminate duplicates Z: 13 13.705 1.790 0.857 0.666 0.917 0.500 CB 1.113 13 residues pruned to eliminate duplicates Z: 12 10.646 1.790 1.080 0.505 0.909 0.545 CB 0.944 12 residues pruned to eliminate duplicates Z: 15 12.190 1.964 0.725 0.338 0.857 0.571 CB 1.339 15 residues pruned to eliminate duplicates Z: 10 5.132 1.750 0.357 0.339 0.778 0.556 CB 1.104 10 residues pruned to eliminate duplicates Z: 7 9.247 1.717 0.700 0.709 0.833 0.833 CB 1.284 7 residues pruned to eliminate duplicates Z: 7 7.094 1.870 0.575 0.891 1.000 1.000 CB 0.707 7 residues pruned to eliminate duplicates Z: 7 7.382 1.718 0.638 0.860 1.000 0.667 CB 0.787 5 residues pruned to eliminate duplicates Z: 50 30.673 1.984 0.925 0.453 0.898 0.673 CB 1.341 50 residues pruned to eliminate duplicates Z: 60 35.270 1.981 1.037 0.469 0.898 0.627 CB 1.307 63 residues pruned to eliminate duplicates Z: 26 32.483 2.192 1.200 0.468 0.920 0.480 CB 1.512 26 residues pruned to eliminate duplicates Z: 15 20.752 2.228 0.712 0.553 0.857 0.643 CB 1.611 15 residues pruned to eliminate duplicates Z: 7 8.925 1.612 1.219 0.887 1.000 1.000 CB 0.735 Z: 23 20.574 2.208 0.668 0.494 0.818 0.455 CB 1.465 23 residues pruned to eliminate duplicates Z: 8 16.046 1.785 1.320 0.685 1.000 0.714 CB 1.236 Z: 33 14.997 1.920 0.650 0.492 0.812 0.531 CB 1.038 31 residues pruned to eliminate duplicates Z: 16 10.818 1.756 0.707 0.385 0.933 0.533 CB 1.128 16 residues pruned to eliminate duplicates Z: 23 19.448 1.871 0.822 0.514 0.909 0.636 CB 1.319 23 residues pruned to eliminate duplicates Z: 13 12.473 1.849 0.646 0.504 0.917 0.417 CB 1.286 12 residues pruned to eliminate duplicates Z: 13 4.920 1.634 0.789 0.279 0.833 0.500 CB 0.749 13 residues pruned to eliminate duplicates Z: 15 7.841 1.647 0.788 0.556 0.714 0.571 N 0.944 8 residues pruned to eliminate duplicates Z: 14 10.761 1.896 0.539 0.400 0.846 0.615 CB 1.343 14 residues pruned to eliminate duplicates Z: 20 13.812 1.799 0.624 0.691 0.895 0.684 CB 1.018 20 residues pruned to eliminate duplicates Z: 37 20.895 1.894 0.845 0.465 0.861 0.556 CB 1.199 37 residues pruned to eliminate duplicates Z: 6 4.942 1.756 -0.149 0.656 1.000 0.800 CB 1.279 Z: 22 15.816 1.893 0.681 0.507 0.857 0.571 CB 1.256 22 residues pruned to eliminate duplicates Z: 16 8.765 1.675 0.545 0.580 0.800 0.667 CB 1.012 18 residues pruned to eliminate duplicates Z: 52 24.759 2.055 0.721 0.368 0.863 0.510 CB 1.309 52 residues pruned to eliminate duplicates Z: 7 3.680 1.569 0.484 0.487 0.667 0.500 CA 0.981 7 residues pruned to eliminate duplicates Z: 12 7.779 1.745 0.441 0.577 0.818 0.273 CB 1.058 12 residues pruned to eliminate duplicates Z: 7 7.496 1.846 1.143 0.872 1.000 1.000 CB 0.564 7 residues pruned to eliminate duplicates Z: 13 9.108 1.804 0.783 0.527 0.917 0.583 CB 0.868 13 residues pruned to eliminate duplicates Z: 17 13.848 1.990 0.600 0.544 0.750 0.500 CB 1.389 17 residues pruned to eliminate duplicates Z: 34 26.581 2.039 0.822 0.490 0.909 0.485 CB 1.384 34 residues pruned to eliminate duplicates Z: 29 17.975 1.865 0.850 0.360 0.929 0.536 CB 1.233 29 residues pruned to eliminate duplicates Z: 56 31.180 1.959 0.958 0.444 0.891 0.600 CB 1.303 56 residues pruned to eliminate duplicates Z: 21 20.931 1.893 0.909 0.505 1.000 0.400 CB 1.288 21 residues pruned to eliminate duplicates Z: 6 3.336 1.586 -0.058 0.663 1.000 0.800 CB 0.858 Z: 62 29.443 1.936 0.826 0.402 0.885 0.557 CB 1.335 62 residues pruned to eliminate duplicates Z: 21 14.097 1.852 0.617 0.545 0.900 0.600 CB 1.118 21 residues pruned to eliminate duplicates Z: 8 7.020 1.891 0.376 0.582 0.714 0.286 CB 1.319 8 residues pruned to eliminate duplicates Z: 7 6.004 1.373 0.866 0.812 0.833 0.833 CA 0.875 7 residues pruned to eliminate duplicates Z: 8 6.147 1.562 0.740 0.358 1.000 0.571 CB 0.996 8 residues pruned to eliminate duplicates Z: 30 11.307 1.783 0.561 0.421 0.793 0.483 CB 1.033 118 residues pruned to eliminate duplicates Z: 7 4.584 1.726 0.595 0.460 0.667 0.333 CB 1.062 7 residues pruned to eliminate duplicates Z: 7 9.891 2.308 0.372 0.472 0.833 0.500 CB 1.575 7 residues pruned to eliminate duplicates Z: 49 23.845 1.932 0.601 0.558 0.917 0.542 CB 1.148 16 residues pruned to eliminate duplicates Z: 7 2.949 1.301 0.460 0.402 1.000 0.500 CB 0.703 Z: 13 8.202 1.709 0.546 0.436 0.917 0.500 CB 1.044 13 residues pruned to eliminate duplicates Z: 10 5.826 1.600 0.673 0.504 0.667 0.667 CA 1.084 10 residues pruned to eliminate duplicates Z: 11 4.627 1.579 -0.078 0.431 0.900 0.500 CB 1.199 11 residues pruned to eliminate duplicates Z: 26 18.660 1.855 0.990 0.489 0.880 0.400 CB 1.162 26 residues pruned to eliminate duplicates Z: 12 8.283 1.544 0.695 0.376 0.909 0.636 N 1.199 12 residues pruned to eliminate duplicates Z: 19 11.191 1.892 0.692 0.404 0.889 0.333 CB 1.025 19 residues pruned to eliminate duplicates Z: 27 15.308 1.928 0.706 0.461 0.846 0.500 CB 1.123 27 residues pruned to eliminate duplicates Z: 23 19.926 1.899 1.097 0.524 0.864 0.636 CB 1.207 23 residues pruned to eliminate duplicates Z: 13 6.190 1.641 0.509 0.447 0.750 0.417 CB 1.015 13 residues pruned to eliminate duplicates Z: 11 6.332 1.716 0.692 0.506 0.800 0.500 CB 0.857 11 residues pruned to eliminate duplicates Z: 14 6.783 1.844 0.704 0.367 0.769 0.538 CB 0.898 14 residues pruned to eliminate duplicates Z: 10 7.521 1.983 0.507 0.455 0.889 0.556 CB 0.988 10 residues pruned to eliminate duplicates Z: 23 18.803 1.884 0.723 0.508 0.955 0.591 CB 1.284 23 residues pruned to eliminate duplicates Z: 6 4.174 1.694 0.286 0.290 0.800 0.600 CA 1.356 6 residues pruned to eliminate duplicates Z: 14 9.063 1.797 0.502 0.352 0.846 0.462 CB 1.292 Z: 49 26.329 2.158 0.708 0.426 0.812 0.500 CB 1.370 49 residues pruned to eliminate duplicates Z: 7 7.321 1.704 1.006 0.882 1.000 0.667 CB 0.633 Z: 36 28.754 2.044 0.940 0.434 0.914 0.429 CB 1.436 36 residues pruned to eliminate duplicates Z: 6 17.636 2.031 1.127 0.704 1.000 0.800 CB 1.516 6 residues pruned to eliminate duplicates Z: 39 25.251 2.165 0.750 0.478 0.868 0.526 CB 1.274 39 residues pruned to eliminate duplicates Z: 15 26.764 1.960 1.268 0.633 0.929 0.786 CB 1.529 15 residues pruned to eliminate duplicates Z: 6 3.796 1.543 0.834 0.447 1.000 0.600 CB 0.633 6 residues pruned to eliminate duplicates Z: 36 20.132 1.865 0.792 0.418 0.857 0.429 CB 1.294 14 residues pruned to eliminate duplicates Z: 16 11.703 1.919 0.577 0.410 0.800 0.400 CB 1.371 16 residues pruned to eliminate duplicates Z: 6 3.410 1.648 0.194 0.743 1.000 1.000 CB 0.624 6 residues pruned to eliminate duplicates Z: 9 11.849 1.846 1.271 0.515 0.750 0.750 CA 1.312 9 residues pruned to eliminate duplicates Z: 13 14.526 1.953 0.731 0.358 1.000 0.583 CB 1.446 13 residues pruned to eliminate duplicates Z: 14 6.804 1.655 0.579 0.466 0.923 0.538 CB 0.810 14 residues pruned to eliminate duplicates Z: 12 4.489 1.426 0.564 0.412 0.727 0.636 CB 0.915 Z: 21 10.561 1.756 0.621 0.429 0.900 0.400 CB 0.992 21 residues pruned to eliminate duplicates Z: 43 29.219 2.016 0.873 0.407 0.952 0.548 CB 1.382 43 residues pruned to eliminate duplicates Z: 7 3.416 1.475 0.271 0.568 0.667 0.333 N 1.045 Z: 38 14.042 1.822 0.522 0.339 0.919 0.514 CB 1.080 34 residues pruned to eliminate duplicates Z: 37 34.638 2.201 0.928 0.520 0.861 0.611 CB 1.548 37 residues pruned to eliminate duplicates Z: 6 3.732 1.686 0.199 0.705 0.800 0.600 CB 0.856 Z: 33 17.008 1.933 0.619 0.458 0.844 0.562 CB 1.189 39 residues pruned to eliminate duplicates 6 1.705 1.572 -0.224 0.413 0.800 0.600 CB 0.856 ? Z: 27 18.377 2.023 0.972 0.427 0.923 0.462 CB 1.056 27 residues pruned to eliminate duplicates Z: 11 14.876 1.822 0.977 0.650 1.000 0.600 CB 1.136 16 residues pruned to eliminate duplicates Z: 23 12.507 1.777 0.499 0.545 0.909 0.409 CB 1.054 23 residues pruned to eliminate duplicates Z: 23 25.008 2.185 0.875 0.518 0.955 0.545 CB 1.340 23 residues pruned to eliminate duplicates Z: 35 19.166 1.910 0.720 0.487 0.912 0.559 CB 1.112 35 residues pruned to eliminate duplicates Z: 8 2.256 1.663 0.007 0.359 0.857 0.286 CB 0.691 8 residues pruned to eliminate duplicates Z: 10 9.006 2.005 0.604 0.603 0.778 0.778 CB 1.088 10 residues pruned to eliminate duplicates Z: 30 17.205 2.013 0.454 0.490 0.897 0.483 CB 1.229 30 residues pruned to eliminate duplicates Z: 19 12.984 1.904 0.636 0.431 0.833 0.556 CB 1.267 19 residues pruned to eliminate duplicates Z: 17 13.202 1.863 0.773 0.500 0.812 0.625 CB 1.230 17 residues pruned to eliminate duplicates Z: 13 12.216 1.916 0.571 0.349 1.000 0.583 CB 1.380 13 residues pruned to eliminate duplicates Z: 34 17.588 2.011 0.682 0.470 0.818 0.424 CB 1.141 34 residues pruned to eliminate duplicates Z: 12 8.885 1.969 0.254 0.516 0.727 0.636 CB 1.468 12 residues pruned to eliminate duplicates Z: 6 5.497 1.628 0.328 0.802 0.800 0.800 CA 1.092 6 residues pruned to eliminate duplicates Z: 6 7.338 1.357 0.638 0.779 1.000 0.600 O 1.154 6 residues pruned to eliminate duplicates Z: 9 5.032 1.692 0.217 0.608 0.750 0.250 CB 1.040 9 residues pruned to eliminate duplicates Z: 15 14.665 1.900 0.680 0.428 0.857 0.429 CB 1.544 15 residues pruned to eliminate duplicates Z: 53 26.844 1.944 0.716 0.513 0.942 0.577 CB 1.169 53 residues pruned to eliminate duplicates Z: 16 12.956 1.924 0.991 0.396 0.667 0.467 CB 1.461 16 residues pruned to eliminate duplicates Z: 6 7.300 1.640 0.400 0.855 1.000 1.000 CB 1.049 6 residues pruned to eliminate duplicates Z: 39 20.617 1.870 0.725 0.411 0.842 0.474 CB 1.352 124 residues pruned to eliminate duplicates Z: 52 28.871 2.120 0.821 0.413 0.863 0.431 CB 1.330 52 residues pruned to eliminate duplicates Z: 9 4.919 1.688 0.274 0.680 0.750 0.500 CB 0.914 9 residues pruned to eliminate duplicates Z: 7 6.044 1.628 0.466 0.880 1.000 0.667 CB 0.749 12 residues pruned to eliminate duplicates Z: 13 9.681 1.843 0.686 0.272 0.917 0.417 CA 1.271 Z: 13 19.990 1.982 1.022 0.652 0.833 0.833 CB 1.500 13 residues pruned to eliminate duplicates Z: 7 5.318 1.929 0.919 0.372 0.667 0.500 CB 1.009 7 residues pruned to eliminate duplicates Z: 8 10.421 1.741 0.597 0.742 1.000 0.857 CB 1.140 8 residues pruned to eliminate duplicates Z: 40 28.633 1.995 0.765 0.457 0.923 0.590 CB 1.474 53 residues pruned to eliminate duplicates Z: 15 10.567 1.862 0.392 0.351 0.929 0.429 CB 1.379 15 residues pruned to eliminate duplicates Z: 24 13.733 2.064 0.604 0.307 0.739 0.435 CB 1.450 24 residues pruned to eliminate duplicates Z: 7 6.754 1.602 0.633 0.884 1.000 1.000 CB 0.762 7 residues pruned to eliminate duplicates Z: 8 12.124 1.682 1.155 0.667 1.000 0.857 N 1.083 9 residues pruned to eliminate duplicates Z: 30 20.206 2.143 0.605 0.493 0.862 0.483 CB 1.275 30 residues pruned to eliminate duplicates Z: 13 19.145 1.970 0.920 0.436 1.000 0.583 CA 1.560 Z: 15 10.148 1.629 0.811 0.578 0.786 0.500 CB 1.085 15 residues pruned to eliminate duplicates Z: 18 19.078 2.099 0.779 0.525 0.941 0.588 CB 1.284 18 residues pruned to eliminate duplicates Z: 15 14.315 1.842 0.537 0.536 1.000 0.571 CB 1.305 15 residues pruned to eliminate duplicates Z: 8 5.254 1.640 0.364 0.692 1.000 0.429 CB 0.744 8 residues pruned to eliminate duplicates Z: 25 16.741 2.004 0.799 0.376 0.792 0.458 CB 1.366 25 residues pruned to eliminate duplicates Z: 11 11.900 1.897 0.896 0.683 0.900 0.700 CB 0.983 11 residues pruned to eliminate duplicates Z: 42 22.661 2.132 0.663 0.435 0.854 0.585 CB 1.251 42 residues pruned to eliminate duplicates Z: 14 13.873 1.891 0.448 0.540 0.923 0.462 CA 1.464 Z: 6 3.099 1.587 -0.020 0.555 0.800 0.400 CB 1.056 Z: 17 5.431 1.473 0.386 0.260 0.812 0.500 CB 1.077 Z: 20 25.847 2.070 1.049 0.587 0.895 0.632 CB 1.437 20 residues pruned to eliminate duplicates Z: 9 4.313 1.753 -0.334 0.673 1.000 1.000 CB 1.114 11 residues pruned to eliminate duplicates Z: 8 3.004 1.332 0.397 0.436 0.857 0.286 CB 0.761 8 residues pruned to eliminate duplicates Z: 6 2.477 1.586 -0.132 0.578 0.800 0.800 N 0.933 Z: 23 7.660 1.624 0.523 0.458 0.727 0.409 CB 0.948 23 residues pruned to eliminate duplicates Z: 8 6.113 1.853 0.672 0.430 0.714 0.714 CB 1.123 8 residues pruned to eliminate duplicates Z: 7 4.687 1.546 0.376 0.834 1.000 1.000 CB 0.674 7 residues pruned to eliminate duplicates Z: 8 4.555 1.546 0.046 0.839 0.857 0.571 CB 0.928 6 residues pruned to eliminate duplicates Z: 24 19.892 1.989 0.753 0.473 0.957 0.478 CB 1.279 24 residues pruned to eliminate duplicates Z: 8 7.131 1.663 0.634 0.876 1.000 0.857 CB 0.721 7 residues pruned to eliminate duplicates Z: 24 27.026 2.021 0.992 0.429 0.957 0.609 CA 1.576 24 residues pruned to eliminate duplicates Z: 8 2.680 1.636 0.643 0.253 0.714 0.286 CB 0.701 Z: 46 34.104 2.192 0.965 0.474 0.889 0.556 CB 1.364 46 residues pruned to eliminate duplicates Z: 8 8.667 1.997 0.450 0.428 0.857 0.571 CA 1.422 8 residues pruned to eliminate duplicates Z: 11 8.918 1.709 0.292 0.776 1.000 0.800 CB 1.001 11 residues pruned to eliminate duplicates Z: 22 12.726 1.786 0.715 0.502 0.952 0.667 CB 0.950 22 residues pruned to eliminate duplicates Z: 35 21.283 1.922 0.839 0.390 0.853 0.529 CB 1.362 35 residues pruned to eliminate duplicates Z: 8 13.199 1.791 0.995 0.886 1.000 0.857 CB 1.007 8 residues pruned to eliminate duplicates Z: 19 14.416 2.056 0.569 0.366 0.833 0.611 CB 1.459 19 residues pruned to eliminate duplicates Z: 8 2.857 1.270 0.265 0.354 0.857 0.571 CB 0.918 Z: 7 2.721 1.596 0.364 0.508 1.000 0.500 CB 0.506 Z: 11 5.806 1.774 0.311 0.237 0.900 0.400 CB 1.190 11 residues pruned to eliminate duplicates Z: 6 5.498 1.523 0.612 0.712 1.000 1.000 CB 0.826 Z: 20 17.001 1.938 0.567 0.591 0.947 0.421 CB 1.243 20 residues pruned to eliminate duplicates Z: 7 3.844 1.761 0.253 0.247 0.833 0.500 CB 1.143 Z: 7 11.148 1.896 1.102 0.879 1.000 0.833 CB 0.828 7 residues pruned to eliminate duplicates Z: 6 4.736 1.890 0.892 0.639 0.600 0.600 CA 0.867 6 residues pruned to eliminate duplicates Z: 10 4.337 1.434 0.816 0.176 0.889 0.556 CB 0.925 Z: 29 21.331 1.951 0.939 0.423 0.857 0.500 CB 1.347 29 residues pruned to eliminate duplicates Z: 11 6.758 1.631 0.574 0.436 0.800 0.200 CB 1.111 11 residues pruned to eliminate duplicates Z: 20 16.616 1.937 0.819 0.366 0.895 0.579 CA 1.397 13 residues pruned to eliminate duplicates Z: 7 6.205 1.805 0.760 0.669 0.833 0.667 CB 0.819 7 residues pruned to eliminate duplicates Z: 33 18.404 1.963 0.471 0.525 0.938 0.562 CB 1.172 14 residues pruned to eliminate duplicates Z: 18 21.564 1.904 1.183 0.591 1.000 0.706 CB 1.153 18 residues pruned to eliminate duplicates Z: 54 21.359 1.843 0.682 0.502 0.868 0.491 CB 1.089 33 residues pruned to eliminate duplicates Z: 7 5.528 1.648 0.819 0.302 1.000 0.667 CA 0.938 Z: 13 5.872 1.423 0.272 0.518 1.000 0.750 CB 0.920 Z: 7 7.564 1.675 0.644 0.880 1.000 1.000 CB 0.812 7 residues pruned to eliminate duplicates Z: 21 8.356 1.737 0.527 0.361 0.850 0.350 CB 0.963 21 residues pruned to eliminate duplicates Z: 10 9.991 2.045 0.673 0.430 0.889 0.444 CB 1.177 10 residues pruned to eliminate duplicates Z: 22 10.433 1.861 0.495 0.326 0.905 0.429 CB 1.095 22 residues pruned to eliminate duplicates Z: 7 3.542 1.498 0.306 0.544 1.000 0.833 CB 0.708 7 residues pruned to eliminate duplicates 6 1.902 1.540 -0.098 0.478 1.000 0.600 C 0.626 ? Z: 27 16.804 1.856 0.914 0.370 0.846 0.500 CB 1.260 26 residues pruned to eliminate duplicates Z: 10 10.532 1.943 0.619 0.606 0.778 0.444 CB 1.298 10 residues pruned to eliminate duplicates Z: 23 20.087 2.159 0.757 0.508 0.909 0.682 CB 1.233 23 residues pruned to eliminate duplicates Z: 28 16.794 1.897 0.750 0.531 0.815 0.667 CB 1.159 28 residues pruned to eliminate duplicates Z: 12 4.624 1.509 0.302 0.407 0.818 0.364 CB 0.957 Z: 35 15.962 1.891 0.699 0.445 0.824 0.441 CB 1.094 35 residues pruned to eliminate duplicates Z: 19 10.341 1.924 0.249 0.390 0.889 0.278 CA 1.282 19 residues pruned to eliminate duplicates Z: 9 10.114 1.901 0.629 0.651 1.000 0.625 CB 1.003 9 residues pruned to eliminate duplicates Z: 9 4.359 1.590 0.575 0.454 0.750 0.375 N 0.859 9 residues pruned to eliminate duplicates Z: 10 6.145 1.707 0.406 0.403 0.778 0.556 CB 1.215 10 residues pruned to eliminate duplicates Z: 47 31.916 2.183 0.847 0.454 0.891 0.435 CB 1.373 47 residues pruned to eliminate duplicates Z: 7 3.912 1.602 0.269 0.442 1.000 0.500 CB 0.834 Z: 6 6.701 1.332 1.186 0.726 0.800 0.600 CA 1.050 6 residues pruned to eliminate duplicates Z: 7 8.715 1.721 0.927 0.807 0.833 0.833 CB 0.985 6 residues pruned to eliminate duplicates Z: 16 8.535 1.711 0.514 0.575 0.867 0.667 CB 0.913 16 residues pruned to eliminate duplicates Z: 30 17.958 1.970 0.500 0.487 0.897 0.586 CB 1.274 30 residues pruned to eliminate duplicates Z: 22 11.685 1.814 0.645 0.457 0.810 0.524 CB 1.103 22 residues pruned to eliminate duplicates Z: 13 12.529 1.867 0.550 0.552 0.917 0.417 CB 1.296 13 residues pruned to eliminate duplicates Z: 24 21.202 2.100 0.737 0.458 0.826 0.522 CB 1.532 24 residues pruned to eliminate duplicates Z: 10 7.263 1.669 0.727 0.393 0.889 0.556 CB 1.058 10 residues pruned to eliminate duplicates Z: 6 9.917 1.875 0.913 0.880 1.000 1.000 CB 0.896 6 residues pruned to eliminate duplicates Z: 44 22.361 2.129 0.688 0.454 0.744 0.558 CB 1.336 44 residues pruned to eliminate duplicates Z: 7 3.996 1.567 0.004 0.613 0.833 0.667 CB 1.118 Z: 25 13.961 1.879 0.423 0.445 0.917 0.333 CB 1.230 25 residues pruned to eliminate duplicates Z: 7 11.721 1.828 0.547 0.834 1.000 0.833 CB 1.269 7 residues pruned to eliminate duplicates Z: 36 21.282 2.071 0.729 0.453 0.857 0.600 CB 1.230 36 residues pruned to eliminate duplicates Z: 21 9.395 1.837 0.405 0.447 0.800 0.650 CB 1.074 21 residues pruned to eliminate duplicates Z: 27 15.596 1.866 0.596 0.379 0.885 0.500 CB 1.321 27 residues pruned to eliminate duplicates 477 residues left after pruning, divided into chains as follows: A: 9 B: 134 C: 26 D: 53 E: 6 F: 127 G: 122 CC for partial structure against native data = 39.84 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.378, Connect. = 0.684 for dens.mod. cycle 1 = 0.300, Contrast = 0.441, Connect. = 0.713 for dens.mod. cycle 2 = 0.300, Contrast = 0.528, Connect. = 0.747 for dens.mod. cycle 3 = 0.300, Contrast = 0.539, Connect. = 0.750 for dens.mod. cycle 4 = 0.300, Contrast = 0.550, Connect. = 0.753 for dens.mod. cycle 5 = 0.300, Contrast = 0.555, Connect. = 0.756 for dens.mod. cycle 6 = 0.300, Contrast = 0.560, Connect. = 0.757 for dens.mod. cycle 7 = 0.300, Contrast = 0.563, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.564, Connect. = 0.759 for dens.mod. cycle 9 = 0.300, Contrast = 0.565, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2795 peaks > 0.5 sigma used to seed fragment search Space for about 617 unique residues taking solvent into account 594 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 30 29.565 2.347 0.812 0.471 0.862 0.552 CB 1.543 B: 48 29.264 2.301 0.628 0.430 0.851 0.426 CB 1.441 C: 60 33.701 2.058 0.771 0.430 0.915 0.508 CB 1.414 D: 42 23.922 1.852 0.692 0.466 0.927 0.634 CB 1.332 E: 62 30.721 2.165 0.638 0.474 0.836 0.459 CB 1.362 32 residues pruned to eliminate duplicates F: 44 37.958 2.240 1.059 0.431 0.884 0.535 CB 1.525 57 residues pruned to eliminate duplicates G: 12 11.083 1.749 0.851 0.322 0.909 0.364 CA 1.381 H: 27 28.529 2.105 0.721 0.462 0.962 0.731 CA 1.670 28 residues pruned to eliminate duplicates I: 39 21.064 1.923 0.659 0.406 0.921 0.658 CB 1.284 J: 49 33.763 2.261 0.815 0.423 0.896 0.583 CB 1.435 48 residues pruned to eliminate duplicates K: 29 20.707 1.994 0.787 0.417 0.929 0.643 CB 1.290 19 residues pruned to eliminate duplicates L: 61 31.354 2.034 0.776 0.466 0.817 0.600 CB 1.420 61 residues pruned to eliminate duplicates M: 66 36.578 2.185 0.730 0.468 0.877 0.523 CB 1.414 49 residues pruned to eliminate duplicates N: 36 23.741 2.064 0.723 0.431 0.857 0.571 CB 1.414 36 residues pruned to eliminate duplicates O: 18 23.166 2.210 0.784 0.469 0.882 0.529 CB 1.668 13 residues pruned to eliminate duplicates P: 42 26.588 2.095 0.949 0.356 0.878 0.561 CB 1.354 37 residues pruned to eliminate duplicates Q: 84 46.631 2.244 0.826 0.470 0.892 0.518 CB 1.444 72 residues pruned to eliminate duplicates R: 16 16.412 2.032 0.658 0.456 0.933 0.667 CB 1.409 16 residues pruned to eliminate duplicates S: 48 39.003 2.319 0.818 0.483 0.915 0.596 CB 1.501 49 residues pruned to eliminate duplicates T: 28 24.502 2.175 1.043 0.430 0.852 0.481 CB 1.339 28 residues pruned to eliminate duplicates U: 65 36.566 2.193 0.684 0.502 0.906 0.453 CB 1.363 47 residues pruned to eliminate duplicates V: 69 33.281 2.069 0.708 0.448 0.853 0.618 CB 1.413 69 residues pruned to eliminate duplicates W: 33 23.852 2.098 0.771 0.446 0.875 0.469 CB 1.371 8 residues pruned to eliminate duplicates X: 29 27.631 2.329 0.795 0.441 0.821 0.464 CB 1.617 29 residues pruned to eliminate duplicates Y: 34 24.194 2.013 0.814 0.498 0.818 0.606 CB 1.412 23 residues pruned to eliminate duplicates Z: 27 22.320 2.237 0.989 0.439 0.808 0.692 CB 1.297 27 residues pruned to eliminate duplicates Z: 10 19.935 2.185 0.999 0.478 1.000 0.556 CA 1.555 10 residues pruned to eliminate duplicates Z: 6 29.560 2.279 1.217 0.871 1.000 1.000 C 1.908 6 residues pruned to eliminate duplicates Z: 59 42.857 2.305 0.852 0.474 0.914 0.534 CB 1.481 59 residues pruned to eliminate duplicates Z: 33 23.437 2.201 0.540 0.442 0.906 0.500 CB 1.431 33 residues pruned to eliminate duplicates Z: 32 35.859 2.287 0.920 0.480 0.968 0.613 CB 1.546 32 residues pruned to eliminate duplicates Z: 31 12.945 2.049 0.724 0.205 0.767 0.433 CB 1.238 31 residues pruned to eliminate duplicates Z: 33 40.854 2.245 1.159 0.486 0.969 0.562 CB 1.560 33 residues pruned to eliminate duplicates Z: 42 33.722 2.174 1.057 0.510 0.854 0.561 CB 1.366 42 residues pruned to eliminate duplicates Z: 28 31.559 2.276 0.831 0.537 0.889 0.667 CB 1.580 28 residues pruned to eliminate duplicates Z: 6 12.066 2.122 0.630 0.450 1.000 0.600 CB 1.642 6 residues pruned to eliminate duplicates Z: 12 14.082 2.026 0.645 0.440 1.000 0.545 CB 1.356 12 residues pruned to eliminate duplicates Z: 36 19.319 1.934 0.506 0.467 0.971 0.514 CB 1.194 12 residues pruned to eliminate duplicates Z: 19 17.576 2.211 0.630 0.370 0.944 0.444 CB 1.400 19 residues pruned to eliminate duplicates Z: 9 11.119 1.952 0.705 0.617 0.750 0.750 CA 1.409 9 residues pruned to eliminate duplicates Z: 28 21.294 2.032 0.898 0.507 0.852 0.667 CB 1.239 28 residues pruned to eliminate duplicates Z: 18 23.920 2.192 1.058 0.510 1.000 0.529 CB 1.273 18 residues pruned to eliminate duplicates Z: 27 22.269 1.975 0.854 0.388 0.923 0.692 CA 1.456 27 residues pruned to eliminate duplicates Z: 14 14.933 1.944 0.910 0.403 0.846 0.615 CB 1.460 14 residues pruned to eliminate duplicates Z: 14 4.463 1.864 0.454 0.267 0.692 0.462 CB 0.860 14 residues pruned to eliminate duplicates Z: 34 18.705 1.930 0.708 0.307 0.909 0.667 CB 1.347 34 residues pruned to eliminate duplicates Z: 53 30.009 2.227 0.707 0.418 0.885 0.558 CB 1.349 53 residues pruned to eliminate duplicates Z: 76 36.120 2.048 0.770 0.429 0.893 0.467 CB 1.386 77 residues pruned to eliminate duplicates Z: 45 34.007 2.275 0.746 0.524 0.909 0.500 CB 1.386 45 residues pruned to eliminate duplicates Z: 10 13.127 1.863 1.001 0.508 0.889 0.444 CA 1.309 10 residues pruned to eliminate duplicates Z: 41 24.624 2.005 0.608 0.526 0.950 0.500 CB 1.239 Z: 11 20.287 2.205 1.044 0.598 1.000 0.800 CB 1.296 11 residues pruned to eliminate duplicates Z: 27 18.776 1.992 0.625 0.468 0.923 0.538 CB 1.273 27 residues pruned to eliminate duplicates Z: 25 29.025 2.091 0.913 0.518 0.958 0.625 CB 1.519 25 residues pruned to eliminate duplicates Z: 60 37.105 2.175 0.861 0.495 0.881 0.542 CB 1.360 60 residues pruned to eliminate duplicates Z: 20 8.629 1.741 0.535 0.412 0.737 0.421 CB 1.103 Z: 31 24.325 2.185 0.707 0.439 0.800 0.433 CB 1.585 31 residues pruned to eliminate duplicates Z: 25 16.040 1.896 0.711 0.426 0.875 0.583 CB 1.246 16 residues pruned to eliminate duplicates Z: 11 11.957 2.024 0.970 0.265 0.800 0.500 CA 1.549 11 residues pruned to eliminate duplicates Z: 20 22.099 2.063 0.910 0.380 0.947 0.579 CA 1.544 20 residues pruned to eliminate duplicates Z: 49 36.324 2.263 0.848 0.485 0.875 0.604 CB 1.454 49 residues pruned to eliminate duplicates Z: 94 54.270 2.240 0.885 0.490 0.914 0.527 CB 1.472 101 residues pruned to eliminate duplicates Z: 25 25.522 2.134 0.974 0.453 0.792 0.542 CA 1.639 25 residues pruned to eliminate duplicates Z: 42 24.514 2.086 0.696 0.432 0.805 0.439 CB 1.443 42 residues pruned to eliminate duplicates Z: 25 26.031 2.110 0.977 0.501 0.917 0.667 CB 1.388 25 residues pruned to eliminate duplicates Z: 49 26.238 2.201 0.643 0.428 0.854 0.500 CB 1.321 49 residues pruned to eliminate duplicates Z: 38 25.993 2.014 0.736 0.429 0.892 0.622 CB 1.475 38 residues pruned to eliminate duplicates Z: 24 27.353 2.172 1.057 0.505 0.913 0.783 CB 1.391 24 residues pruned to eliminate duplicates Z: 11 20.397 2.251 0.996 0.467 1.000 0.600 CB 1.484 11 residues pruned to eliminate duplicates Z: 17 16.581 2.051 0.697 0.486 0.938 0.562 CB 1.289 17 residues pruned to eliminate duplicates Z: 38 32.932 2.226 0.910 0.534 0.865 0.649 CB 1.424 38 residues pruned to eliminate duplicates Z: 15 15.424 2.130 0.595 0.357 0.929 0.357 CB 1.524 15 residues pruned to eliminate duplicates Z: 14 9.464 1.874 0.366 0.358 0.923 0.385 CB 1.293 14 residues pruned to eliminate duplicates Z: 53 35.777 2.215 0.763 0.478 0.942 0.538 CB 1.378 53 residues pruned to eliminate duplicates Z: 6 9.934 1.920 0.952 0.876 1.000 0.600 CB 0.862 Z: 18 15.885 2.139 0.751 0.487 0.882 0.588 CB 1.181 18 residues pruned to eliminate duplicates Z: 13 17.925 1.851 1.023 0.621 0.833 0.500 CB 1.479 13 residues pruned to eliminate duplicates Z: 76 37.276 2.174 0.698 0.494 0.907 0.520 CB 1.294 76 residues pruned to eliminate duplicates Z: 68 33.829 2.052 0.772 0.486 0.851 0.552 CB 1.355 68 residues pruned to eliminate duplicates Z: 37 26.008 2.176 0.684 0.503 0.833 0.556 CB 1.416 37 residues pruned to eliminate duplicates Z: 13 13.322 1.931 0.401 0.533 0.917 0.667 CB 1.501 20 residues pruned to eliminate duplicates Z: 50 30.155 2.210 0.734 0.466 0.857 0.490 CB 1.358 50 residues pruned to eliminate duplicates Z: 13 26.124 2.108 0.932 0.612 1.000 0.750 CB 1.665 13 residues pruned to eliminate duplicates Z: 33 17.422 1.952 0.574 0.470 0.906 0.562 CB 1.141 31 residues pruned to eliminate duplicates Z: 51 27.597 2.226 0.636 0.432 0.840 0.500 CB 1.370 51 residues pruned to eliminate duplicates Z: 25 23.639 2.124 0.841 0.517 0.875 0.667 CB 1.387 25 residues pruned to eliminate duplicates Z: 8 3.926 1.840 0.426 0.444 0.571 0.571 CB 1.048 8 residues pruned to eliminate duplicates Z: 15 10.432 1.875 0.431 0.540 0.786 0.500 CA 1.271 15 residues pruned to eliminate duplicates Z: 46 17.762 1.829 0.431 0.431 0.800 0.511 CB 1.358 56 residues pruned to eliminate duplicates Z: 33 29.724 2.032 0.840 0.531 0.938 0.719 CB 1.455 33 residues pruned to eliminate duplicates Z: 31 18.714 2.024 0.535 0.506 0.867 0.600 CB 1.262 31 residues pruned to eliminate duplicates Z: 38 23.202 2.248 0.603 0.443 0.838 0.486 CB 1.339 38 residues pruned to eliminate duplicates Z: 38 24.839 2.051 0.622 0.420 0.946 0.622 CB 1.410 38 residues pruned to eliminate duplicates Z: 19 12.497 1.952 0.623 0.495 0.722 0.389 CB 1.294 19 residues pruned to eliminate duplicates Z: 31 15.115 1.853 0.643 0.484 0.933 0.567 CB 0.987 31 residues pruned to eliminate duplicates Z: 68 35.249 2.077 0.749 0.470 0.866 0.537 CB 1.412 68 residues pruned to eliminate duplicates Z: 7 10.819 1.909 0.682 0.801 1.000 0.833 CB 1.057 Z: 11 8.143 1.939 0.355 0.646 0.700 0.500 CB 1.222 11 residues pruned to eliminate duplicates Z: 22 18.795 1.931 0.970 0.429 0.905 0.571 CB 1.283 22 residues pruned to eliminate duplicates Z: 11 11.014 1.857 0.515 0.468 0.900 0.700 CB 1.421 11 residues pruned to eliminate duplicates Z: 27 15.015 1.776 0.951 0.449 0.885 0.500 CB 1.013 6 residues pruned to eliminate duplicates Z: 13 10.767 2.008 0.804 0.457 0.667 0.500 CB 1.344 13 residues pruned to eliminate duplicates Z: 14 11.496 1.954 0.469 0.499 0.923 0.615 CB 1.204 14 residues pruned to eliminate duplicates Z: 14 9.376 1.973 0.607 0.349 0.769 0.615 CB 1.256 14 residues pruned to eliminate duplicates Z: 38 24.920 2.142 0.737 0.469 0.865 0.514 CB 1.314 38 residues pruned to eliminate duplicates Z: 25 25.394 2.067 0.974 0.479 1.000 0.667 CB 1.297 25 residues pruned to eliminate duplicates Z: 13 14.046 2.221 1.088 0.427 0.750 0.500 CB 1.257 13 residues pruned to eliminate duplicates Z: 8 9.254 2.307 0.602 0.420 0.714 0.571 CA 1.439 8 residues pruned to eliminate duplicates Z: 27 27.234 2.274 0.830 0.484 0.885 0.500 CB 1.475 27 residues pruned to eliminate duplicates Z: 8 10.476 2.083 0.484 0.531 0.857 0.571 CB 1.449 8 residues pruned to eliminate duplicates Z: 37 25.458 2.059 0.718 0.350 0.917 0.528 CB 1.539 37 residues pruned to eliminate duplicates Z: 49 40.230 2.248 0.920 0.528 0.917 0.542 CB 1.428 49 residues pruned to eliminate duplicates Z: 49 31.200 2.196 0.749 0.489 0.917 0.521 CB 1.294 51 residues pruned to eliminate duplicates Z: 45 32.212 2.237 0.655 0.533 0.909 0.545 CB 1.397 45 residues pruned to eliminate duplicates Z: 22 18.240 2.011 0.875 0.443 0.857 0.571 CB 1.307 22 residues pruned to eliminate duplicates Z: 7 10.361 1.886 0.597 0.899 1.000 1.000 CB 1.004 7 residues pruned to eliminate duplicates Z: 20 26.559 2.297 1.210 0.353 0.947 0.579 CB 1.485 20 residues pruned to eliminate duplicates Z: 16 8.358 1.889 0.433 0.208 0.867 0.533 CB 1.300 16 residues pruned to eliminate duplicates Z: 59 35.022 2.215 0.797 0.469 0.862 0.534 CB 1.384 59 residues pruned to eliminate duplicates Z: 80 43.061 2.211 0.882 0.444 0.899 0.468 CB 1.373 80 residues pruned to eliminate duplicates Z: 7 13.019 1.932 0.887 0.825 1.000 1.000 CB 1.101 Z: 11 9.149 1.953 0.671 0.467 0.700 0.300 CB 1.309 11 residues pruned to eliminate duplicates Z: 13 9.051 1.702 0.547 0.571 0.833 0.417 CB 1.112 13 residues pruned to eliminate duplicates Z: 33 14.690 1.843 0.724 0.356 0.875 0.406 CB 1.092 86 residues pruned to eliminate duplicates Z: 21 17.875 1.947 0.848 0.433 0.900 0.500 CB 1.323 21 residues pruned to eliminate duplicates Z: 55 35.969 2.092 0.823 0.471 0.889 0.630 CB 1.487 55 residues pruned to eliminate duplicates Z: 6 4.747 1.779 -0.002 0.507 1.000 0.600 CB 1.187 Z: 29 25.755 2.025 0.807 0.474 0.857 0.821 CB 1.593 Z: 8 4.520 1.768 0.559 0.446 0.714 0.571 CB 0.918 8 residues pruned to eliminate duplicates Z: 88 46.554 2.216 0.855 0.489 0.885 0.552 CB 1.388 85 residues pruned to eliminate duplicates Z: 16 12.206 2.035 0.607 0.252 0.867 0.667 CB 1.479 16 residues pruned to eliminate duplicates Z: 29 20.627 2.009 0.875 0.487 0.857 0.607 CB 1.223 29 residues pruned to eliminate duplicates Z: 23 15.771 1.826 0.753 0.527 0.864 0.591 CB 1.185 23 residues pruned to eliminate duplicates Z: 32 17.590 1.944 0.648 0.519 0.806 0.516 CB 1.201 32 residues pruned to eliminate duplicates Z: 29 19.441 2.006 0.578 0.493 0.857 0.536 CB 1.364 29 residues pruned to eliminate duplicates Z: 31 17.818 1.810 0.642 0.409 0.900 0.433 CB 1.338 60 residues pruned to eliminate duplicates Z: 6 6.914 1.802 0.484 0.891 1.000 1.000 CB 0.831 Z: 6 5.361 1.451 0.356 0.766 1.000 1.000 CB 0.962 Z: 39 18.444 1.948 0.588 0.415 0.816 0.447 CB 1.296 88 residues pruned to eliminate duplicates Z: 22 24.089 2.148 1.091 0.396 0.952 0.476 CB 1.372 22 residues pruned to eliminate duplicates Z: 51 30.451 2.247 0.778 0.443 0.840 0.500 CB 1.361 51 residues pruned to eliminate duplicates Z: 23 15.019 1.798 0.740 0.347 0.955 0.636 CB 1.266 23 residues pruned to eliminate duplicates Z: 90 28.913 1.948 0.541 0.447 0.843 0.528 CB 1.280 90 residues pruned to eliminate duplicates Z: 70 40.457 2.268 0.769 0.450 0.870 0.536 CB 1.469 70 residues pruned to eliminate duplicates Z: 53 26.089 1.969 0.635 0.499 0.904 0.500 CB 1.244 53 residues pruned to eliminate duplicates Z: 12 8.062 1.916 0.643 0.452 0.909 0.455 CB 0.892 Z: 19 8.476 1.711 0.479 0.434 0.833 0.556 CB 1.015 19 residues pruned to eliminate duplicates Z: 11 14.421 1.985 0.618 0.582 1.000 0.600 CB 1.313 11 residues pruned to eliminate duplicates Z: 9 8.930 1.749 0.911 0.489 0.875 0.500 CB 1.091 9 residues pruned to eliminate duplicates Z: 15 9.364 1.974 0.494 0.505 0.714 0.643 CB 1.182 Z: 7 12.208 1.954 0.310 0.707 1.000 0.833 CA 1.613 7 residues pruned to eliminate duplicates Z: 8 8.765 1.870 0.598 0.861 1.000 0.857 CB 0.814 7 residues pruned to eliminate duplicates Z: 7 4.867 1.745 1.131 0.769 0.833 0.833 CB 0.505 Z: 19 14.246 2.221 0.591 0.359 0.833 0.500 CB 1.328 19 residues pruned to eliminate duplicates Z: 9 4.104 1.737 0.204 0.283 0.750 0.500 CB 1.182 Z: 33 18.385 2.031 0.536 0.534 0.844 0.688 CB 1.194 33 residues pruned to eliminate duplicates Z: 34 17.712 2.195 0.646 0.428 0.697 0.515 CB 1.320 34 residues pruned to eliminate duplicates Z: 35 22.257 2.198 0.551 0.430 0.824 0.559 CB 1.463 35 residues pruned to eliminate duplicates Z: 8 9.605 1.831 0.649 0.723 1.000 0.571 CB 0.984 8 residues pruned to eliminate duplicates Z: 41 27.155 2.029 0.677 0.415 0.925 0.625 CB 1.490 41 residues pruned to eliminate duplicates Z: 12 4.375 1.436 0.442 0.633 0.545 0.364 CB 1.031 13 residues pruned to eliminate duplicates Z: 49 26.158 1.996 0.586 0.464 0.958 0.542 CB 1.291 49 residues pruned to eliminate duplicates Z: 10 18.428 2.235 0.709 0.566 0.889 0.444 CB 1.697 10 residues pruned to eliminate duplicates Z: 8 12.291 1.837 0.618 0.893 1.000 0.714 CB 1.122 8 residues pruned to eliminate duplicates Z: 18 17.179 1.787 0.908 0.474 1.000 0.588 CB 1.254 18 residues pruned to eliminate duplicates Z: 41 27.222 2.212 0.710 0.413 0.850 0.500 CB 1.465 41 residues pruned to eliminate duplicates Z: 7 14.559 1.978 1.079 0.506 1.000 0.833 CB 1.437 Z: 24 15.468 1.858 0.834 0.431 0.870 0.609 CB 1.170 7 residues pruned to eliminate duplicates Z: 36 18.952 1.875 0.770 0.477 0.886 0.400 CB 1.116 36 residues pruned to eliminate duplicates Z: 27 21.951 2.050 0.647 0.372 0.923 0.731 CA 1.583 6 residues pruned to eliminate duplicates Z: 34 21.140 2.024 0.825 0.389 0.879 0.576 CB 1.276 34 residues pruned to eliminate duplicates Z: 30 18.738 2.159 0.627 0.404 0.828 0.483 CB 1.325 30 residues pruned to eliminate duplicates Z: 7 3.109 1.911 0.126 0.385 0.667 0.667 CB 1.000 Z: 13 4.737 1.540 0.190 0.443 0.750 0.500 N 1.055 Z: 35 31.708 2.217 0.947 0.416 0.912 0.471 CB 1.508 35 residues pruned to eliminate duplicates Z: 16 14.546 1.912 0.831 0.408 0.933 0.600 CB 1.266 16 residues pruned to eliminate duplicates Z: 23 23.893 2.113 0.796 0.452 0.909 0.545 CB 1.550 23 residues pruned to eliminate duplicates Z: 9 3.058 1.644 -0.070 0.475 0.750 0.500 CB 0.967 Z: 85 50.886 2.257 0.941 0.476 0.917 0.571 CB 1.416 85 residues pruned to eliminate duplicates Z: 24 12.625 1.864 0.666 0.367 0.826 0.348 CB 1.184 24 residues pruned to eliminate duplicates Z: 7 7.700 1.866 0.369 0.903 1.000 1.000 CB 0.877 7 residues pruned to eliminate duplicates Z: 28 13.199 1.905 0.664 0.356 0.815 0.407 CB 1.149 28 residues pruned to eliminate duplicates Z: 31 25.982 2.020 0.822 0.398 0.900 0.500 CA 1.595 30 residues pruned to eliminate duplicates Z: 57 28.420 2.168 0.639 0.428 0.893 0.464 CB 1.290 57 residues pruned to eliminate duplicates Z: 10 4.638 1.644 0.572 0.392 0.667 0.444 CB 1.006 10 residues pruned to eliminate duplicates Z: 31 12.559 1.858 0.598 0.360 0.833 0.500 CB 1.077 31 residues pruned to eliminate duplicates Z: 24 13.318 1.863 0.596 0.455 0.870 0.522 CB 1.125 24 residues pruned to eliminate duplicates Z: 8 4.547 1.704 0.149 0.844 1.000 0.857 CB 0.654 7 residues pruned to eliminate duplicates Z: 14 10.944 1.822 0.565 0.541 0.846 0.462 CB 1.209 12 residues pruned to eliminate duplicates Z: 100 45.198 2.210 0.801 0.473 0.889 0.505 CB 1.320 100 residues pruned to eliminate duplicates Z: 8 7.580 1.764 0.388 0.882 1.000 0.714 CB 0.847 7 residues pruned to eliminate duplicates Z: 38 21.867 1.999 0.598 0.420 0.865 0.514 CB 1.415 38 residues pruned to eliminate duplicates Z: 15 12.555 2.010 0.676 0.385 0.929 0.429 CB 1.212 Z: 31 17.967 1.999 0.542 0.513 0.867 0.467 CB 1.212 31 residues pruned to eliminate duplicates Z: 29 15.329 1.893 0.647 0.374 0.857 0.500 CB 1.241 29 residues pruned to eliminate duplicates Z: 39 23.402 1.930 0.724 0.394 0.947 0.605 CB 1.347 37 residues pruned to eliminate duplicates Z: 61 19.812 1.853 0.652 0.352 0.817 0.550 CB 1.201 61 residues pruned to eliminate duplicates Z: 57 36.084 2.113 0.789 0.448 0.929 0.625 CB 1.448 57 residues pruned to eliminate duplicates Z: 24 19.952 2.107 0.799 0.494 0.739 0.565 CB 1.494 24 residues pruned to eliminate duplicates Z: 73 39.842 2.165 0.880 0.464 0.889 0.528 CB 1.347 79 residues pruned to eliminate duplicates Z: 6 6.714 1.499 1.158 0.749 0.800 0.400 N 0.929 6 residues pruned to eliminate duplicates Z: 7 11.061 1.885 1.089 0.886 1.000 1.000 CB 0.827 7 residues pruned to eliminate duplicates Z: 10 8.047 1.709 1.048 0.437 0.778 0.556 CB 1.052 10 residues pruned to eliminate duplicates Z: 16 10.907 1.911 0.548 0.487 0.733 0.600 CB 1.316 16 residues pruned to eliminate duplicates Z: 36 20.359 1.928 0.685 0.502 0.914 0.543 CB 1.157 36 residues pruned to eliminate duplicates Z: 66 33.554 2.054 0.754 0.495 0.892 0.569 CB 1.300 66 residues pruned to eliminate duplicates Z: 13 10.003 1.817 0.434 0.260 1.000 0.500 CB 1.459 13 residues pruned to eliminate duplicates Z: 8 7.626 1.802 0.440 0.672 0.857 0.571 CB 1.105 6 residues pruned to eliminate duplicates Z: 59 41.516 2.234 1.049 0.486 0.879 0.621 CB 1.374 59 residues pruned to eliminate duplicates Z: 18 14.381 1.940 0.682 0.486 0.941 0.471 CB 1.152 Z: 30 15.088 1.961 0.466 0.467 0.828 0.414 CB 1.219 30 residues pruned to eliminate duplicates Z: 35 29.716 2.093 0.967 0.478 0.853 0.647 CB 1.484 35 residues pruned to eliminate duplicates Z: 19 17.721 2.102 0.885 0.440 0.889 0.556 CB 1.262 11 residues pruned to eliminate duplicates Z: 7 4.418 1.930 0.198 0.509 0.833 0.500 CB 0.928 Z: 6 11.100 1.558 0.739 0.864 1.000 1.000 C 1.343 6 residues pruned to eliminate duplicates Z: 80 41.150 2.215 0.801 0.443 0.848 0.519 CB 1.451 80 residues pruned to eliminate duplicates Z: 39 29.920 2.072 0.717 0.461 0.947 0.632 CB 1.499 39 residues pruned to eliminate duplicates Z: 8 7.274 1.752 0.445 0.888 1.000 0.714 CB 0.782 Z: 27 14.095 1.762 0.730 0.404 0.808 0.577 CB 1.241 55 residues pruned to eliminate duplicates Z: 18 9.977 1.762 0.437 0.482 0.824 0.471 CB 1.182 18 residues pruned to eliminate duplicates Z: 6 5.223 1.639 0.285 0.547 1.000 0.600 CA 1.059 Z: 7 5.664 1.836 0.586 0.630 0.833 0.333 CB 0.843 7 residues pruned to eliminate duplicates Z: 18 28.044 1.994 0.995 0.512 1.000 0.647 CB 1.690 18 residues pruned to eliminate duplicates Z: 7 6.670 1.790 0.275 0.860 0.833 0.833 CB 1.052 7 residues pruned to eliminate duplicates Z: 27 21.197 2.041 0.692 0.347 0.885 0.462 CB 1.606 Z: 21 27.373 2.202 1.048 0.545 0.950 0.500 CB 1.368 21 residues pruned to eliminate duplicates Z: 25 18.944 1.882 0.903 0.352 0.875 0.542 CB 1.448 25 residues pruned to eliminate duplicates Z: 41 22.598 2.083 0.655 0.350 0.875 0.475 CB 1.393 41 residues pruned to eliminate duplicates Z: 7 4.360 1.610 0.438 0.542 0.833 0.500 CB 0.885 3 residues pruned to eliminate duplicates Z: 8 7.091 1.662 0.780 0.649 0.857 0.429 CA 0.920 8 residues pruned to eliminate duplicates Z: 7 8.661 1.825 0.405 0.893 1.000 0.833 CB 0.990 8 residues pruned to eliminate duplicates Z: 26 26.838 2.162 1.121 0.440 0.840 0.560 CB 1.483 26 residues pruned to eliminate duplicates Z: 62 37.013 2.223 0.885 0.432 0.869 0.574 CB 1.397 62 residues pruned to eliminate duplicates Z: 40 26.865 2.075 0.682 0.432 0.897 0.615 CB 1.475 40 residues pruned to eliminate duplicates Z: 12 12.496 1.869 0.742 0.545 0.909 0.455 CA 1.218 24 residues pruned to eliminate duplicates Z: 44 26.788 2.253 0.790 0.380 0.814 0.512 CB 1.414 44 residues pruned to eliminate duplicates Z: 21 12.619 2.090 0.504 0.419 0.700 0.300 CB 1.396 21 residues pruned to eliminate duplicates Z: 9 12.642 1.989 0.745 0.508 0.875 0.625 CA 1.460 9 residues pruned to eliminate duplicates Z: 16 11.278 1.847 0.560 0.495 0.800 0.733 CB 1.270 16 residues pruned to eliminate duplicates Z: 34 23.115 2.099 0.942 0.410 0.879 0.545 CB 1.235 34 residues pruned to eliminate duplicates Z: 8 3.278 1.800 -0.082 0.485 0.857 0.714 CB 0.888 8 residues pruned to eliminate duplicates Z: 14 13.925 2.056 0.858 0.459 0.923 0.538 CB 1.142 14 residues pruned to eliminate duplicates Z: 12 4.703 1.429 -0.120 0.544 1.000 0.545 CA 1.080 Z: 24 23.134 2.175 0.784 0.572 0.913 0.652 CB 1.270 21 residues pruned to eliminate duplicates Z: 7 2.431 1.313 0.083 0.529 1.000 0.667 CB 0.679 4 residues pruned to eliminate duplicates Z: 9 7.670 1.690 0.604 0.398 1.000 0.625 CB 1.114 9 residues pruned to eliminate duplicates Z: 41 25.963 1.991 0.705 0.502 0.975 0.500 CB 1.238 41 residues pruned to eliminate duplicates Z: 33 19.403 2.010 0.526 0.506 0.906 0.500 CB 1.227 33 residues pruned to eliminate duplicates Z: 12 5.992 1.441 0.477 0.400 1.000 0.273 CB 0.943 Z: 7 3.107 1.464 -0.023 0.575 0.833 0.667 O 0.990 Z: 6 6.817 1.788 0.711 0.477 0.800 0.800 CA 1.276 6 residues pruned to eliminate duplicates Z: 19 20.798 2.110 0.822 0.362 0.944 0.611 CA 1.566 21 residues pruned to eliminate duplicates Z: 13 8.217 1.749 0.502 0.552 0.917 0.583 CB 0.937 13 residues pruned to eliminate duplicates Z: 8 3.565 1.812 0.358 0.588 0.857 0.857 CB 0.587 Z: 9 4.064 1.470 0.256 0.507 0.750 0.625 CB 1.031 9 residues pruned to eliminate duplicates Z: 33 23.252 2.264 0.521 0.493 0.875 0.656 CB 1.374 21 residues pruned to eliminate duplicates Z: 60 30.497 2.184 0.775 0.442 0.831 0.492 CB 1.309 60 residues pruned to eliminate duplicates Z: 18 10.769 1.753 0.797 0.452 0.882 0.588 CB 0.988 18 residues pruned to eliminate duplicates Z: 22 14.635 1.959 0.512 0.365 0.857 0.619 CB 1.454 22 residues pruned to eliminate duplicates Z: 22 13.378 1.964 0.747 0.285 0.905 0.476 CB 1.198 37 residues pruned to eliminate duplicates Z: 10 7.985 1.765 0.596 0.456 0.889 0.333 CB 1.112 10 residues pruned to eliminate duplicates Z: 10 11.427 1.907 0.372 0.514 1.000 0.889 CA 1.436 11 residues pruned to eliminate duplicates Z: 6 6.579 1.811 0.258 0.829 0.800 0.600 CB 1.214 6 residues pruned to eliminate duplicates Z: 17 23.211 2.160 1.006 0.495 0.938 0.562 CB 1.436 17 residues pruned to eliminate duplicates Z: 53 21.445 1.959 0.512 0.469 0.846 0.442 CB 1.224 53 residues pruned to eliminate duplicates Z: 14 11.603 1.799 0.378 0.598 0.923 0.692 CB 1.281 14 residues pruned to eliminate duplicates Z: 29 16.922 1.904 0.561 0.476 0.857 0.643 CB 1.286 29 residues pruned to eliminate duplicates Z: 27 22.518 2.076 0.871 0.467 0.885 0.462 CB 1.329 27 residues pruned to eliminate duplicates Z: 12 6.182 1.626 0.549 0.483 0.818 0.727 CB 0.921 8 residues pruned to eliminate duplicates Z: 53 22.232 1.973 0.642 0.450 0.846 0.558 CB 1.184 53 residues pruned to eliminate duplicates Z: 11 14.165 2.280 0.753 0.500 0.800 0.600 CB 1.402 11 residues pruned to eliminate duplicates Z: 17 11.104 1.949 0.529 0.487 0.938 0.562 CB 1.007 17 residues pruned to eliminate duplicates Z: 15 19.646 1.911 0.814 0.587 0.929 0.643 CB 1.500 15 residues pruned to eliminate duplicates Z: 16 18.578 1.928 0.945 0.528 1.000 0.733 CB 1.244 24 residues pruned to eliminate duplicates Z: 64 33.873 2.165 0.543 0.508 0.921 0.571 CB 1.376 123 residues pruned to eliminate duplicates Z: 15 5.075 1.632 0.340 0.327 0.643 0.429 CB 1.166 Z: 10 7.843 1.736 0.788 0.358 0.889 0.556 CA 1.105 10 residues pruned to eliminate duplicates Z: 8 11.728 1.853 0.733 0.891 1.000 0.857 CB 0.993 Z: 9 3.096 1.521 0.711 0.398 0.750 0.375 CB 0.624 Z: 14 7.758 1.734 0.194 0.719 0.923 0.615 CB 0.924 15 residues pruned to eliminate duplicates Z: 6 3.899 1.608 0.043 0.479 1.000 0.800 CB 1.062 Z: 25 13.265 1.928 0.495 0.482 0.917 0.458 CB 1.043 8 residues pruned to eliminate duplicates Z: 15 11.916 1.758 0.633 0.338 1.000 0.500 CB 1.325 15 residues pruned to eliminate duplicates Z: 51 27.928 2.195 0.775 0.410 0.820 0.540 CB 1.358 51 residues pruned to eliminate duplicates Z: 78 30.163 1.918 0.755 0.451 0.883 0.584 CB 1.215 103 residues pruned to eliminate duplicates Z: 22 9.639 1.707 0.467 0.424 0.714 0.381 CA 1.273 22 residues pruned to eliminate duplicates Z: 26 18.267 2.052 0.589 0.358 0.880 0.560 CB 1.484 26 residues pruned to eliminate duplicates Z: 15 10.641 1.745 0.491 0.684 0.857 0.857 CB 1.077 8 residues pruned to eliminate duplicates Z: 12 8.595 1.773 0.668 0.637 0.818 0.545 CB 0.942 12 residues pruned to eliminate duplicates Z: 12 6.165 1.682 0.397 0.284 0.727 0.545 CB 1.389 12 residues pruned to eliminate duplicates Z: 41 28.856 2.176 0.745 0.424 0.925 0.550 CB 1.406 41 residues pruned to eliminate duplicates Z: 21 25.059 2.357 0.573 0.545 0.900 0.600 CB 1.606 Z: 9 11.334 1.880 0.634 0.509 1.000 0.375 CB 1.293 9 residues pruned to eliminate duplicates Z: 25 14.016 1.855 0.503 0.513 0.917 0.542 CB 1.104 25 residues pruned to eliminate duplicates Z: 8 15.457 1.899 0.804 0.897 1.000 0.857 CB 1.220 Z: 83 37.554 2.038 0.749 0.447 0.902 0.463 CB 1.361 83 residues pruned to eliminate duplicates Z: 7 4.982 1.644 0.195 0.881 1.000 1.000 CB 0.750 6 residues pruned to eliminate duplicates Z: 7 7.093 1.725 0.753 0.889 1.000 1.000 CB 0.689 7 residues pruned to eliminate duplicates Z: 10 2.883 1.615 0.090 0.400 0.667 0.667 CB 0.910 Z: 7 7.564 1.804 0.387 0.857 1.000 0.667 CB 0.909 7 residues pruned to eliminate duplicates Z: 28 15.289 1.938 0.405 0.409 0.852 0.481 CB 1.395 28 residues pruned to eliminate duplicates Z: 24 14.648 2.067 0.482 0.497 0.870 0.478 CB 1.150 24 residues pruned to eliminate duplicates Z: 23 16.126 1.889 0.607 0.488 0.955 0.364 CB 1.200 23 residues pruned to eliminate duplicates Z: 9 5.286 1.582 0.398 0.415 0.750 0.500 CB 1.231 6 residues pruned to eliminate duplicates Z: 28 25.706 2.084 0.809 0.532 0.926 0.704 CB 1.374 28 residues pruned to eliminate duplicates Z: 69 36.801 2.228 0.652 0.453 0.912 0.485 CB 1.395 90 residues pruned to eliminate duplicates Z: 7 5.586 1.755 0.590 0.459 0.667 0.500 CB 1.279 7 residues pruned to eliminate duplicates Z: 6 6.930 1.619 0.251 0.843 1.000 0.800 CB 1.139 8 residues pruned to eliminate duplicates Z: 6 8.601 1.984 1.022 0.515 0.800 0.800 CB 1.180 6 residues pruned to eliminate duplicates Z: 7 6.899 1.659 0.496 0.862 1.000 0.833 CB 0.833 7 residues pruned to eliminate duplicates Z: 21 9.812 1.886 0.462 0.477 0.750 0.600 CB 1.087 21 residues pruned to eliminate duplicates Z: 23 17.407 2.050 0.602 0.432 0.909 0.545 CB 1.333 23 residues pruned to eliminate duplicates Z: 10 7.373 1.650 0.047 0.701 1.000 0.556 CB 1.184 16 residues pruned to eliminate duplicates Z: 6 3.937 1.645 0.142 0.383 0.800 0.400 CB 1.327 Z: 8 9.671 1.751 0.534 0.896 1.000 1.000 CB 0.975 8 residues pruned to eliminate duplicates Z: 7 7.864 1.604 1.123 0.655 1.000 0.833 CB 0.816 Z: 8 4.490 1.613 0.363 0.592 1.000 0.857 CB 0.707 8 residues pruned to eliminate duplicates Z: 7 8.873 1.525 0.910 0.835 0.833 0.500 CA 1.118 7 residues pruned to eliminate duplicates Z: 52 33.336 2.175 0.800 0.480 0.863 0.490 CB 1.411 60 residues pruned to eliminate duplicates Z: 8 13.445 1.774 0.748 0.718 1.000 0.714 CB 1.345 8 residues pruned to eliminate duplicates Z: 9 6.640 1.574 0.448 0.582 1.000 0.625 CB 0.952 9 residues pruned to eliminate duplicates Z: 23 16.971 1.980 0.557 0.531 0.818 0.545 CB 1.392 23 residues pruned to eliminate duplicates Z: 10 8.374 1.859 0.530 0.450 0.778 0.556 CA 1.328 10 residues pruned to eliminate duplicates Z: 7 8.066 1.744 0.567 0.891 1.000 1.000 CB 0.866 7 residues pruned to eliminate duplicates Z: 59 28.346 1.908 0.708 0.456 0.897 0.603 CB 1.332 Z: 8 6.944 1.765 0.421 0.893 1.000 0.857 CB 0.751 8 residues pruned to eliminate duplicates Z: 7 7.759 2.050 0.263 0.394 1.000 0.500 CA 1.368 7 residues pruned to eliminate duplicates Z: 36 22.763 1.988 0.743 0.393 0.857 0.543 CB 1.450 36 residues pruned to eliminate duplicates Z: 13 10.055 1.824 0.638 0.492 0.833 0.250 CB 1.176 13 residues pruned to eliminate duplicates Z: 19 21.254 2.263 0.727 0.538 0.944 0.611 CB 1.307 Z: 8 13.924 1.932 0.654 0.881 1.000 0.714 CB 1.193 Z: 68 41.722 2.165 0.942 0.489 0.881 0.552 CB 1.392 68 residues pruned to eliminate duplicates Z: 11 11.493 1.858 0.511 0.656 0.900 0.600 CB 1.244 12 residues pruned to eliminate duplicates Z: 22 19.238 2.016 0.757 0.410 0.905 0.619 CB 1.439 22 residues pruned to eliminate duplicates Z: 9 3.705 1.627 0.411 0.190 0.750 0.500 CB 1.103 9 residues pruned to eliminate duplicates Z: 7 3.395 1.679 0.693 0.514 0.667 0.500 CB 0.721 Z: 13 6.691 1.790 0.401 0.392 0.833 0.750 CB 1.036 16 residues pruned to eliminate duplicates Z: 17 24.255 2.287 0.590 0.579 0.938 0.688 CB 1.649 9 residues pruned to eliminate duplicates Z: 15 4.806 1.553 0.174 0.369 0.714 0.357 CB 1.134 14 residues pruned to eliminate duplicates Z: 12 9.428 2.043 0.380 0.478 0.909 0.636 CB 1.134 12 residues pruned to eliminate duplicates Z: 6 4.059 1.777 0.563 0.439 0.800 0.600 CB 0.870 6 residues pruned to eliminate duplicates Z: 32 18.345 1.990 0.526 0.509 0.871 0.581 CB 1.235 32 residues pruned to eliminate duplicates Z: 8 2.804 1.597 -0.221 0.529 1.000 0.571 CB 0.829 Z: 24 16.629 1.898 0.624 0.399 0.957 0.652 CB 1.307 24 residues pruned to eliminate duplicates Z: 16 9.727 1.809 0.615 0.276 0.933 0.667 CB 1.187 16 residues pruned to eliminate duplicates Z: 15 18.490 2.294 1.091 0.362 0.857 0.643 CB 1.393 15 residues pruned to eliminate duplicates Z: 7 6.452 1.680 0.305 0.536 1.000 0.500 CB 1.159 6 residues pruned to eliminate duplicates Z: 47 25.731 1.976 0.692 0.412 0.891 0.652 CB 1.395 47 residues pruned to eliminate duplicates Z: 21 8.289 1.805 0.433 0.452 0.850 0.550 CB 0.886 21 residues pruned to eliminate duplicates Z: 15 8.273 1.860 0.439 0.456 0.786 0.286 CB 1.099 9 residues pruned to eliminate duplicates Z: 8 5.068 1.869 -0.066 0.481 0.857 0.714 CB 1.304 7 residues pruned to eliminate duplicates Z: 90 34.920 2.014 0.676 0.449 0.876 0.528 CB 1.319 90 residues pruned to eliminate duplicates Z: 19 14.218 1.946 0.276 0.710 0.944 0.611 CB 1.180 20 residues pruned to eliminate duplicates Z: 6 3.125 1.300 0.140 0.832 1.000 1.000 CB 0.708 Z: 9 6.810 1.684 0.318 0.648 0.875 0.625 CB 1.080 13 residues pruned to eliminate duplicates Z: 32 23.758 2.050 0.805 0.473 0.968 0.419 CB 1.225 32 residues pruned to eliminate duplicates Z: 7 5.001 1.824 0.282 0.859 1.000 0.833 CB 0.642 7 residues pruned to eliminate duplicates Z: 8 8.960 1.865 0.587 0.672 0.857 0.857 CB 1.139 7 residues pruned to eliminate duplicates Z: 54 22.732 1.958 0.532 0.441 0.887 0.434 CB 1.248 54 residues pruned to eliminate duplicates Z: 10 13.111 1.802 0.847 0.656 0.889 0.667 CB 1.277 10 residues pruned to eliminate duplicates Z: 17 17.446 2.025 0.716 0.448 0.938 0.562 CA 1.413 17 residues pruned to eliminate duplicates Z: 24 14.649 1.909 0.476 0.463 0.870 0.609 CB 1.294 24 residues pruned to eliminate duplicates Z: 12 13.599 1.877 0.792 0.561 0.909 0.545 CB 1.264 12 residues pruned to eliminate duplicates Z: 41 23.367 2.120 0.726 0.424 0.800 0.400 CB 1.366 41 residues pruned to eliminate duplicates Z: 14 8.544 1.949 0.414 0.286 0.692 0.462 CB 1.580 14 residues pruned to eliminate duplicates Z: 9 6.017 1.607 0.219 0.759 1.000 0.875 CB 0.863 9 residues pruned to eliminate duplicates Z: 23 14.764 1.826 0.743 0.428 0.909 0.500 CB 1.172 25 residues pruned to eliminate duplicates Z: 6 8.019 1.586 0.448 0.695 1.000 1.000 N 1.307 Z: 27 13.736 1.940 0.751 0.366 0.769 0.423 CB 1.190 27 residues pruned to eliminate duplicates Z: 9 6.671 1.916 0.532 0.523 0.750 0.625 CB 1.047 9 residues pruned to eliminate duplicates Z: 7 15.575 1.767 1.021 0.790 1.000 0.833 CB 1.380 7 residues pruned to eliminate duplicates Z: 6 7.336 1.590 0.879 0.752 0.800 0.800 CA 1.097 Z: 11 13.599 1.941 0.815 0.689 0.900 0.800 CB 1.140 11 residues pruned to eliminate duplicates Z: 7 5.770 1.734 -0.223 0.748 1.000 0.667 O 1.402 Z: 17 12.200 1.874 0.568 0.485 0.938 0.500 CB 1.124 17 residues pruned to eliminate duplicates Z: 12 12.558 1.774 0.704 0.740 0.909 0.636 CB 1.111 12 residues pruned to eliminate duplicates Z: 24 26.234 2.193 0.840 0.448 0.826 0.565 CB 1.731 24 residues pruned to eliminate duplicates Z: 19 16.202 1.906 0.515 0.498 0.889 0.444 CB 1.490 19 residues pruned to eliminate duplicates Z: 9 13.687 1.900 0.650 0.495 1.000 0.500 CB 1.552 9 residues pruned to eliminate duplicates Z: 31 24.508 2.258 0.815 0.413 0.833 0.533 CB 1.435 31 residues pruned to eliminate duplicates Z: 8 5.131 1.529 0.385 0.806 0.857 0.714 CB 0.818 8 residues pruned to eliminate duplicates Z: 6 3.679 1.419 0.314 0.478 0.800 0.600 CB 1.127 Z: 12 8.889 1.801 0.503 0.628 0.909 0.636 CB 0.966 12 residues pruned to eliminate duplicates Z: 14 12.825 2.089 0.633 0.247 0.923 0.615 CA 1.512 14 residues pruned to eliminate duplicates Z: 7 4.148 1.377 0.545 0.339 1.000 0.500 CB 0.948 Z: 35 33.702 2.155 1.173 0.505 0.882 0.588 CB 1.391 35 residues pruned to eliminate duplicates Z: 6 3.821 1.642 0.198 0.373 0.800 0.200 N 1.244 6 residues pruned to eliminate duplicates Z: 28 12.262 2.047 0.433 0.443 0.704 0.296 CB 1.212 29 residues pruned to eliminate duplicates Z: 9 4.978 1.785 0.404 0.391 0.750 0.750 CB 1.051 9 residues pruned to eliminate duplicates Z: 8 3.614 1.465 0.419 0.343 0.857 0.571 CB 0.909 Z: 16 12.256 2.121 0.746 0.484 0.933 0.733 CB 0.931 16 residues pruned to eliminate duplicates Z: 6 6.293 1.399 0.958 0.792 0.800 0.600 N 0.993 Z: 11 5.644 1.549 0.731 0.450 0.700 0.600 CB 1.001 7 residues pruned to eliminate duplicates Z: 16 13.954 1.854 0.660 0.529 0.867 0.600 CB 1.313 16 residues pruned to eliminate duplicates Z: 11 5.076 1.685 0.812 0.216 0.700 0.600 CB 1.050 11 residues pruned to eliminate duplicates Z: 12 5.769 1.592 0.355 0.318 0.818 0.364 CB 1.204 12 residues pruned to eliminate duplicates Z: 11 8.122 1.944 0.453 0.457 0.800 0.300 CB 1.187 11 residues pruned to eliminate duplicates Z: 7 2.337 1.502 0.103 0.566 0.667 0.667 CB 0.811 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 9.085 1.769 0.460 0.889 1.000 1.000 CB 1.034 7 residues pruned to eliminate duplicates Z: 8 8.329 1.643 0.600 0.875 1.000 1.000 CB 0.871 8 residues pruned to eliminate duplicates Z: 8 11.153 1.740 0.788 0.882 1.000 0.857 CB 0.981 9 residues pruned to eliminate duplicates Z: 9 9.859 1.652 0.883 0.902 1.000 0.750 CB 0.799 8 residues pruned to eliminate duplicates Z: 8 9.941 1.721 0.631 0.859 1.000 0.714 CB 0.985 8 residues pruned to eliminate duplicates Z: 20 13.617 1.696 0.805 0.669 0.947 0.421 CB 0.921 17 residues pruned to eliminate duplicates Z: 9 12.520 1.637 0.895 0.891 1.000 0.500 CB 1.026 9 residues pruned to eliminate duplicates Z: 17 9.401 1.534 0.583 0.583 0.875 0.562 CB 1.021 17 residues pruned to eliminate duplicates Z: 44 13.442 1.643 0.730 0.392 0.837 0.442 CB 0.965 44 residues pruned to eliminate duplicates Z: 23 14.318 1.710 0.895 0.582 0.818 0.591 CB 1.064 23 residues pruned to eliminate duplicates Z: 17 7.154 1.492 0.441 0.437 0.875 0.375 CB 1.015 17 residues pruned to eliminate duplicates Z: 15 6.802 1.602 0.475 0.471 0.786 0.429 CB 1.009 15 residues pruned to eliminate duplicates Z: 16 7.832 1.570 0.596 0.577 0.667 0.533 CB 1.124 16 residues pruned to eliminate duplicates Z: 15 7.401 1.775 0.405 0.445 0.643 0.429 CB 1.306 15 residues pruned to eliminate duplicates Z: 31 15.699 1.731 0.739 0.427 0.800 0.467 CB 1.285 31 residues pruned to eliminate duplicates Z: 25 11.375 1.677 0.485 0.390 0.833 0.333 CB 1.257 25 residues pruned to eliminate duplicates Z: 25 18.798 1.941 0.760 0.406 0.917 0.583 CB 1.352 25 residues pruned to eliminate duplicates Z: 13 12.363 1.942 0.786 0.511 0.917 0.500 CB 1.110 13 residues pruned to eliminate duplicates Z: 24 19.101 1.991 0.681 0.448 0.913 0.565 CB 1.375 24 residues pruned to eliminate duplicates Z: 8 8.738 1.781 0.809 0.547 0.714 0.571 CB 1.371 8 residues pruned to eliminate duplicates Z: 12 6.579 1.696 0.545 0.366 0.818 0.636 CB 1.069 12 residues pruned to eliminate duplicates Z: 13 10.379 1.872 0.826 0.513 0.833 0.667 CB 1.039 13 residues pruned to eliminate duplicates Z: 29 15.911 1.950 0.754 0.379 0.821 0.500 CB 1.217 29 residues pruned to eliminate duplicates Z: 36 20.542 1.990 0.640 0.410 0.886 0.543 CB 1.320 36 residues pruned to eliminate duplicates Z: 26 15.934 1.924 0.744 0.369 0.920 0.600 CB 1.189 26 residues pruned to eliminate duplicates Z: 14 9.584 1.951 0.629 0.367 0.846 0.615 CB 1.140 14 residues pruned to eliminate duplicates Z: 49 26.474 2.060 0.713 0.415 0.917 0.667 CB 1.291 49 residues pruned to eliminate duplicates Z: 24 21.880 2.061 0.737 0.348 0.957 0.565 CB 1.570 24 residues pruned to eliminate duplicates Z: 27 17.679 1.972 0.715 0.334 0.885 0.615 CB 1.390 27 residues pruned to eliminate duplicates Z: 37 17.660 1.948 0.591 0.345 0.833 0.583 CB 1.349 37 residues pruned to eliminate duplicates Z: 49 26.752 2.077 0.685 0.369 0.896 0.542 CB 1.417 49 residues pruned to eliminate duplicates Z: 28 12.739 1.942 0.598 0.313 0.889 0.444 CB 1.093 28 residues pruned to eliminate duplicates Z: 51 29.012 2.113 0.715 0.392 0.900 0.520 CB 1.410 51 residues pruned to eliminate duplicates Z: 50 28.618 2.129 0.660 0.412 0.898 0.469 CB 1.412 50 residues pruned to eliminate duplicates Z: 39 20.307 2.026 0.674 0.317 0.868 0.447 CB 1.369 39 residues pruned to eliminate duplicates Z: 25 17.286 1.985 0.620 0.424 0.917 0.667 CB 1.296 25 residues pruned to eliminate duplicates Z: 16 6.903 1.882 0.213 0.189 0.933 0.600 CB 1.214 16 residues pruned to eliminate duplicates Z: 35 19.945 1.994 0.656 0.391 0.912 0.647 CB 1.274 35 residues pruned to eliminate duplicates Z: 36 19.507 1.956 0.617 0.390 0.886 0.571 CB 1.323 36 residues pruned to eliminate duplicates Z: 25 15.474 2.007 0.465 0.318 0.958 0.583 CB 1.371 25 residues pruned to eliminate duplicates Z: 21 15.068 2.032 0.623 0.302 0.900 0.650 CB 1.415 21 residues pruned to eliminate duplicates Z: 34 16.635 1.942 0.512 0.356 0.909 0.515 CB 1.268 34 residues pruned to eliminate duplicates Z: 51 29.168 2.105 0.667 0.420 0.920 0.560 CB 1.388 51 residues pruned to eliminate duplicates Z: 52 26.073 2.057 0.765 0.400 0.882 0.549 CB 1.266 52 residues pruned to eliminate duplicates Z: 38 23.794 2.137 0.601 0.352 0.892 0.486 CB 1.506 38 residues pruned to eliminate duplicates Z: 34 33.705 2.235 1.018 0.413 0.909 0.485 CB 1.567 34 residues pruned to eliminate duplicates Z: 26 19.698 2.205 0.691 0.424 0.800 0.560 CB 1.429 26 residues pruned to eliminate duplicates Z: 25 30.384 2.175 1.003 0.513 0.958 0.583 CB 1.467 25 residues pruned to eliminate duplicates Z: 41 30.864 2.213 0.924 0.405 0.875 0.550 CB 1.446 41 residues pruned to eliminate duplicates Z: 20 23.680 2.296 1.024 0.452 0.789 0.579 CB 1.556 20 residues pruned to eliminate duplicates Z: 53 29.446 2.102 0.739 0.414 0.904 0.577 CB 1.352 53 residues pruned to eliminate duplicates Z: 33 22.962 2.053 0.787 0.390 0.844 0.406 CB 1.474 33 residues pruned to eliminate duplicates Z: 34 24.511 2.241 0.755 0.416 0.818 0.545 CB 1.449 34 residues pruned to eliminate duplicates Z: 25 25.722 2.228 0.797 0.492 0.875 0.625 CB 1.510 25 residues pruned to eliminate duplicates Z: 37 26.515 2.122 0.884 0.413 0.889 0.611 CB 1.362 37 residues pruned to eliminate duplicates Z: 15 14.734 2.133 0.801 0.346 0.929 0.571 CB 1.305 15 residues pruned to eliminate duplicates Z: 50 29.841 2.084 0.760 0.418 0.939 0.571 CB 1.348 50 residues pruned to eliminate duplicates Z: 49 32.498 2.110 0.851 0.436 0.938 0.604 CB 1.368 49 residues pruned to eliminate duplicates Z: 26 26.246 2.138 0.893 0.481 0.920 0.600 CB 1.436 26 residues pruned to eliminate duplicates Z: 29 25.066 2.211 1.058 0.401 0.857 0.607 CB 1.349 29 residues pruned to eliminate duplicates Z: 33 30.710 2.217 0.976 0.442 0.906 0.625 CB 1.453 33 residues pruned to eliminate duplicates Z: 49 22.858 2.047 0.611 0.422 0.854 0.583 CB 1.269 49 residues pruned to eliminate duplicates Z: 50 29.348 2.107 0.703 0.430 0.918 0.531 CB 1.368 50 residues pruned to eliminate duplicates Z: 28 26.848 2.302 1.082 0.371 0.852 0.556 CB 1.452 28 residues pruned to eliminate duplicates Z: 23 22.691 2.121 0.878 0.269 0.955 0.409 CB 1.654 23 residues pruned to eliminate duplicates Z: 23 15.146 2.226 0.763 0.362 0.818 0.455 CB 1.166 23 residues pruned to eliminate duplicates Z: 8 12.004 2.113 0.942 0.445 0.857 0.571 CA 1.366 8 residues pruned to eliminate duplicates Z: 10 13.754 2.234 0.784 0.327 0.889 0.556 CA 1.565 10 residues pruned to eliminate duplicates Z: 41 30.820 2.204 0.808 0.461 0.900 0.550 CB 1.414 41 residues pruned to eliminate duplicates Z: 10 20.922 2.266 1.058 0.342 1.000 0.556 CB 1.776 10 residues pruned to eliminate duplicates Z: 52 35.160 2.295 0.783 0.463 0.824 0.549 CB 1.516 52 residues pruned to eliminate duplicates Z: 40 35.924 2.201 1.015 0.501 0.897 0.641 CB 1.443 40 residues pruned to eliminate duplicates Z: 110 48.129 2.165 0.896 0.444 0.862 0.550 CB 1.380 110 residues pruned to eliminate duplicates Z: 23 14.914 2.141 0.635 0.337 0.818 0.455 CB 1.327 23 residues pruned to eliminate duplicates Z: 30 30.476 2.337 0.903 0.487 0.828 0.552 CB 1.557 30 residues pruned to eliminate duplicates Z: 93 43.977 2.206 0.802 0.430 0.870 0.587 CB 1.426 93 residues pruned to eliminate duplicates Z: 62 37.840 2.246 0.800 0.457 0.918 0.459 CB 1.365 62 residues pruned to eliminate duplicates Z: 53 24.779 2.135 0.842 0.363 0.769 0.519 CB 1.316 53 residues pruned to eliminate duplicates Z: 48 30.001 2.271 0.838 0.375 0.851 0.553 CB 1.407 48 residues pruned to eliminate duplicates Z: 70 38.302 2.222 0.788 0.419 0.899 0.507 CB 1.406 70 residues pruned to eliminate duplicates Z: 42 32.201 2.284 0.874 0.432 0.854 0.537 CB 1.476 42 residues pruned to eliminate duplicates Z: 51 34.189 2.296 0.794 0.459 0.860 0.540 CB 1.423 51 residues pruned to eliminate duplicates Z: 57 32.948 2.131 0.736 0.461 0.911 0.554 CB 1.360 57 residues pruned to eliminate duplicates Z: 48 33.939 2.256 0.832 0.426 0.830 0.447 CB 1.559 48 residues pruned to eliminate duplicates Z: 49 33.475 2.226 0.861 0.448 0.854 0.562 CB 1.440 49 residues pruned to eliminate duplicates Z: 41 24.412 2.182 0.768 0.437 0.800 0.500 CB 1.335 41 residues pruned to eliminate duplicates Z: 44 30.022 2.245 0.832 0.438 0.814 0.488 CB 1.457 44 residues pruned to eliminate duplicates Z: 73 35.720 2.201 0.757 0.397 0.861 0.431 CB 1.411 73 residues pruned to eliminate duplicates Z: 42 35.761 2.278 0.790 0.433 0.951 0.561 CB 1.544 42 residues pruned to eliminate duplicates Z: 48 32.010 2.220 0.857 0.443 0.830 0.447 CB 1.449 48 residues pruned to eliminate duplicates Z: 31 28.956 2.321 0.663 0.500 0.867 0.600 CB 1.580 31 residues pruned to eliminate duplicates Z: 53 36.693 2.240 0.782 0.487 0.885 0.519 CB 1.460 53 residues pruned to eliminate duplicates Z: 23 26.981 2.331 0.809 0.464 0.909 0.500 CB 1.555 23 residues pruned to eliminate duplicates Z: 49 35.910 2.227 0.963 0.492 0.854 0.479 CB 1.400 49 residues pruned to eliminate duplicates Z: 49 37.307 2.265 1.006 0.465 0.812 0.500 CB 1.511 49 residues pruned to eliminate duplicates Z: 31 36.013 2.350 0.892 0.492 0.933 0.633 CB 1.597 31 residues pruned to eliminate duplicates Z: 28 30.487 2.319 0.874 0.441 0.889 0.556 CB 1.615 28 residues pruned to eliminate duplicates Z: 40 34.841 2.289 0.816 0.482 0.949 0.641 CB 1.441 40 residues pruned to eliminate duplicates Z: 62 35.114 2.210 0.908 0.432 0.836 0.525 CB 1.368 62 residues pruned to eliminate duplicates Z: 61 35.952 2.197 0.821 0.482 0.900 0.533 CB 1.312 61 residues pruned to eliminate duplicates Z: 56 42.701 2.325 0.943 0.460 0.891 0.527 CB 1.491 56 residues pruned to eliminate duplicates Z: 13 18.782 2.181 0.888 0.488 0.917 0.417 CA 1.453 13 residues pruned to eliminate duplicates Z: 79 47.586 2.265 0.919 0.474 0.910 0.615 CB 1.398 79 residues pruned to eliminate duplicates Z: 47 41.132 2.301 0.901 0.492 0.913 0.478 CB 1.531 47 residues pruned to eliminate duplicates Z: 20 20.925 2.132 1.020 0.432 0.947 0.474 CB 1.263 20 residues pruned to eliminate duplicates Z: 47 33.453 2.236 0.847 0.449 0.891 0.522 CB 1.412 47 residues pruned to eliminate duplicates Z: 22 22.274 2.186 0.883 0.517 0.857 0.476 CB 1.355 22 residues pruned to eliminate duplicates Z: 48 38.987 2.229 0.980 0.492 0.894 0.574 CB 1.454 48 residues pruned to eliminate duplicates Z: 33 21.738 2.112 0.810 0.503 0.875 0.469 CB 1.145 33 residues pruned to eliminate duplicates Z: 66 34.660 2.162 0.784 0.494 0.877 0.523 CB 1.279 66 residues pruned to eliminate duplicates Z: 68 34.248 2.085 0.761 0.439 0.896 0.537 CB 1.355 68 residues pruned to eliminate duplicates Z: 57 38.706 2.238 0.940 0.491 0.875 0.571 CB 1.373 57 residues pruned to eliminate duplicates Z: 20 22.182 2.102 1.151 0.444 0.895 0.474 CB 1.333 20 residues pruned to eliminate duplicates Z: 20 16.370 1.963 0.917 0.425 0.789 0.474 CB 1.366 20 residues pruned to eliminate duplicates Z: 29 18.643 2.065 0.807 0.416 0.857 0.500 CB 1.203 29 residues pruned to eliminate duplicates Z: 48 30.245 2.157 0.870 0.484 0.851 0.553 CB 1.305 48 residues pruned to eliminate duplicates Z: 19 18.078 2.011 0.916 0.458 0.778 0.556 CB 1.485 19 residues pruned to eliminate duplicates Z: 12 12.928 1.817 0.988 0.518 0.909 0.636 CB 1.166 12 residues pruned to eliminate duplicates Z: 28 23.707 2.151 1.027 0.431 0.852 0.481 CB 1.319 28 residues pruned to eliminate duplicates Z: 34 31.211 2.263 1.023 0.455 0.909 0.485 CB 1.367 34 residues pruned to eliminate duplicates Z: 23 21.597 2.013 0.996 0.474 0.909 0.500 CB 1.295 23 residues pruned to eliminate duplicates Z: 58 40.389 2.198 0.899 0.444 0.947 0.526 CB 1.432 58 residues pruned to eliminate duplicates Z: 37 22.354 2.051 0.750 0.516 0.861 0.556 CB 1.187 40 residues pruned to eliminate duplicates Z: 11 5.728 1.695 0.171 0.653 0.900 0.700 CB 0.880 11 residues pruned to eliminate duplicates Z: 19 16.418 1.929 0.755 0.712 0.889 0.611 CB 1.061 19 residues pruned to eliminate duplicates Z: 21 11.668 1.840 0.552 0.493 0.850 0.400 CB 1.082 21 residues pruned to eliminate duplicates Z: 8 12.961 1.885 0.899 0.762 1.000 1.000 CB 1.084 8 residues pruned to eliminate duplicates Z: 20 16.409 1.882 0.755 0.690 0.895 0.632 CB 1.071 20 residues pruned to eliminate duplicates Z: 16 12.609 1.836 0.716 0.573 0.933 0.533 CB 1.032 16 residues pruned to eliminate duplicates Z: 10 14.313 1.883 0.803 0.802 1.000 0.667 CB 1.079 10 residues pruned to eliminate duplicates Z: 8 12.805 1.893 0.596 0.882 1.000 1.000 CB 1.159 8 residues pruned to eliminate duplicates Z: 10 11.127 1.851 0.654 0.774 0.889 0.556 CB 1.070 10 residues pruned to eliminate duplicates Z: 28 21.270 2.096 0.529 0.381 0.889 0.519 CA 1.632 28 residues pruned to eliminate duplicates Z: 36 24.367 1.997 0.738 0.431 0.886 0.486 CB 1.439 95 residues pruned to eliminate duplicates Z: 10 11.671 1.974 0.601 0.454 1.000 0.778 N 1.290 Z: 6 3.430 1.293 0.983 0.353 1.000 0.600 N 0.701 6 residues pruned to eliminate duplicates Z: 25 19.914 2.077 0.806 0.331 0.833 0.417 CA 1.564 12 residues pruned to eliminate duplicates Z: 6 4.410 1.596 0.485 0.288 0.800 0.800 CA 1.319 6 residues pruned to eliminate duplicates Z: 34 24.725 2.024 0.709 0.453 0.879 0.606 CB 1.485 57 residues pruned to eliminate duplicates Z: 33 20.586 1.946 0.777 0.341 0.844 0.562 CB 1.482 33 residues pruned to eliminate duplicates Z: 35 23.823 1.968 0.678 0.408 0.912 0.559 CB 1.495 Z: 6 7.705 1.838 0.496 0.375 1.000 0.200 CA 1.433 6 residues pruned to eliminate duplicates Z: 44 28.634 1.982 0.692 0.474 0.907 0.581 CB 1.474 79 residues pruned to eliminate duplicates Z: 51 30.341 1.951 0.814 0.426 0.940 0.520 CB 1.393 Z: 7 11.755 1.980 0.819 0.509 1.000 0.667 CA 1.321 7 residues pruned to eliminate duplicates Z: 28 24.391 2.054 0.662 0.415 0.963 0.667 CA 1.560 28 residues pruned to eliminate duplicates Z: 28 23.884 2.039 0.753 0.380 0.926 0.630 CA 1.579 28 residues pruned to eliminate duplicates Z: 64 35.949 2.077 0.753 0.459 0.905 0.587 CB 1.433 115 residues pruned to eliminate duplicates Z: 38 22.728 1.931 0.617 0.404 0.892 0.595 CB 1.483 38 residues pruned to eliminate duplicates Z: 28 21.235 2.094 0.584 0.364 0.926 0.630 CA 1.540 Z: 6 5.024 1.543 0.471 0.323 1.000 0.600 N 1.202 6 residues pruned to eliminate duplicates Z: 28 21.948 2.028 0.637 0.393 0.889 0.556 CA 1.603 29 residues pruned to eliminate duplicates Z: 6 2.771 1.572 0.574 0.268 0.800 0.400 CA 0.815 6 residues pruned to eliminate duplicates Z: 26 22.419 2.098 0.590 0.372 0.960 0.600 CA 1.605 26 residues pruned to eliminate duplicates Z: 6 4.648 1.508 0.594 0.445 0.800 0.800 CB 1.144 6 residues pruned to eliminate duplicates Z: 43 23.981 2.035 0.640 0.521 0.857 0.500 CB 1.267 43 residues pruned to eliminate duplicates Z: 26 14.984 1.914 0.411 0.431 0.880 0.440 CB 1.354 26 residues pruned to eliminate duplicates Z: 47 23.410 2.008 0.552 0.510 0.870 0.435 CB 1.262 47 residues pruned to eliminate duplicates Z: 22 13.093 1.957 0.330 0.408 0.857 0.429 CB 1.411 22 residues pruned to eliminate duplicates Z: 17 13.241 1.766 0.472 0.554 1.000 0.562 CB 1.208 17 residues pruned to eliminate duplicates Z: 43 23.397 1.973 0.552 0.501 0.929 0.571 CB 1.269 43 residues pruned to eliminate duplicates Z: 30 19.137 2.011 0.546 0.505 0.897 0.448 CB 1.268 30 residues pruned to eliminate duplicates Z: 22 13.002 1.955 0.421 0.404 0.905 0.333 CB 1.249 22 residues pruned to eliminate duplicates Z: 16 9.833 1.926 0.512 0.446 0.800 0.467 CB 1.152 16 residues pruned to eliminate duplicates Z: 57 21.886 1.941 0.531 0.473 0.857 0.393 CB 1.179 57 residues pruned to eliminate duplicates Z: 30 16.587 2.018 0.527 0.477 0.793 0.552 CB 1.290 30 residues pruned to eliminate duplicates Z: 32 21.652 1.920 0.547 0.546 0.903 0.548 CB 1.387 32 residues pruned to eliminate duplicates Z: 17 14.462 2.094 0.503 0.565 0.875 0.500 CB 1.233 17 residues pruned to eliminate duplicates Z: 33 21.788 1.944 0.797 0.525 0.938 0.500 CB 1.147 33 residues pruned to eliminate duplicates Z: 48 24.542 1.971 0.616 0.504 0.915 0.489 CB 1.223 48 residues pruned to eliminate duplicates Z: 32 17.208 1.944 0.560 0.467 0.903 0.484 CB 1.167 32 residues pruned to eliminate duplicates Z: 11 9.730 2.030 0.479 0.528 0.800 0.600 CA 1.246 11 residues pruned to eliminate duplicates Z: 16 13.788 2.030 0.491 0.531 0.867 0.600 CA 1.317 16 residues pruned to eliminate duplicates Z: 14 11.820 2.028 0.677 0.515 0.846 0.462 CB 1.122 14 residues pruned to eliminate duplicates Z: 15 11.844 1.917 0.626 0.457 0.929 0.500 CB 1.143 15 residues pruned to eliminate duplicates Z: 34 21.168 1.950 0.555 0.511 0.939 0.515 CB 1.279 34 residues pruned to eliminate duplicates Z: 31 17.809 1.983 0.545 0.469 1.000 0.567 CB 1.095 31 residues pruned to eliminate duplicates Z: 33 18.702 1.943 0.712 0.520 0.906 0.594 CB 1.075 33 residues pruned to eliminate duplicates Z: 6 5.754 2.123 0.534 0.427 1.000 0.600 CB 0.853 6 residues pruned to eliminate duplicates Z: 27 18.875 1.944 0.534 0.552 0.962 0.500 CB 1.227 27 residues pruned to eliminate duplicates Z: 20 14.400 1.999 0.600 0.527 0.842 0.421 CB 1.195 20 residues pruned to eliminate duplicates Z: 32 16.341 1.935 0.463 0.508 0.903 0.548 CB 1.138 32 residues pruned to eliminate duplicates Z: 39 26.718 2.025 0.681 0.552 0.947 0.553 CB 1.278 39 residues pruned to eliminate duplicates Z: 41 26.847 2.001 0.701 0.508 0.925 0.525 CB 1.338 41 residues pruned to eliminate duplicates Z: 23 14.970 1.927 0.622 0.461 0.818 0.500 CA 1.299 23 residues pruned to eliminate duplicates Z: 31 18.032 1.978 0.654 0.463 0.833 0.500 CB 1.254 31 residues pruned to eliminate duplicates Z: 41 23.971 2.016 0.693 0.477 0.875 0.525 CB 1.299 41 residues pruned to eliminate duplicates Z: 22 12.725 1.912 0.549 0.421 0.905 0.524 CB 1.126 22 residues pruned to eliminate duplicates Z: 27 19.106 2.020 0.768 0.468 0.885 0.500 CB 1.226 27 residues pruned to eliminate duplicates Z: 14 12.596 1.974 0.743 0.391 0.923 0.692 CB 1.235 14 residues pruned to eliminate duplicates Z: 31 19.841 1.986 0.656 0.496 0.900 0.533 CB 1.228 31 residues pruned to eliminate duplicates Z: 23 17.794 1.950 0.728 0.426 0.955 0.455 CB 1.274 23 residues pruned to eliminate duplicates Z: 22 17.982 1.947 0.694 0.471 0.952 0.571 CB 1.286 22 residues pruned to eliminate duplicates Z: 23 18.213 1.956 0.781 0.447 0.955 0.545 CB 1.233 23 residues pruned to eliminate duplicates Z: 32 18.664 1.887 0.727 0.467 0.935 0.419 CB 1.137 32 residues pruned to eliminate duplicates Z: 16 13.116 1.973 0.507 0.444 0.933 0.533 CB 1.294 16 residues pruned to eliminate duplicates Z: 16 16.507 2.037 0.646 0.458 1.000 0.667 CB 1.328 16 residues pruned to eliminate duplicates Z: 54 25.923 1.971 0.585 0.481 0.925 0.472 CB 1.257 54 residues pruned to eliminate duplicates Z: 23 10.872 1.874 0.494 0.436 0.773 0.318 CB 1.145 23 residues pruned to eliminate duplicates Z: 24 17.876 1.910 0.746 0.460 0.957 0.435 CB 1.217 24 residues pruned to eliminate duplicates Z: 8 5.684 1.689 0.627 0.485 0.714 0.429 CB 1.111 8 residues pruned to eliminate duplicates Z: 8 5.380 1.619 0.465 0.423 0.857 0.571 CA 1.084 8 residues pruned to eliminate duplicates Z: 6 4.970 1.793 0.333 0.520 0.800 0.600 CA 1.140 6 residues pruned to eliminate duplicates Z: 6 3.477 1.635 0.128 0.431 0.800 0.600 CB 1.131 6 residues pruned to eliminate duplicates Z: 7 4.736 1.794 0.505 0.302 0.833 0.667 CB 1.071 Z: 6 3.574 1.294 0.608 0.381 1.000 0.600 N 0.872 6 residues pruned to eliminate duplicates Z: 6 3.144 1.500 0.224 0.411 1.000 1.000 CB 0.841 6 residues pruned to eliminate duplicates Z: 60 33.835 2.051 0.882 0.436 0.864 0.492 CB 1.411 60 residues pruned to eliminate duplicates Z: 17 12.645 1.880 0.559 0.452 0.875 0.500 CB 1.295 17 residues pruned to eliminate duplicates Z: 25 14.833 1.902 0.557 0.359 0.792 0.458 CB 1.503 25 residues pruned to eliminate duplicates Z: 28 19.229 2.005 0.912 0.429 0.852 0.556 CB 1.219 28 residues pruned to eliminate duplicates Z: 62 31.703 2.030 0.786 0.397 0.869 0.492 CB 1.436 62 residues pruned to eliminate duplicates Z: 18 8.562 1.824 0.316 0.471 0.824 0.529 CB 1.082 18 residues pruned to eliminate duplicates Z: 46 19.246 1.936 0.673 0.364 0.778 0.511 CB 1.318 46 residues pruned to eliminate duplicates Z: 31 25.067 2.066 0.731 0.413 0.900 0.600 CB 1.556 31 residues pruned to eliminate duplicates Z: 60 36.026 2.101 0.818 0.451 0.881 0.542 CB 1.466 60 residues pruned to eliminate duplicates Z: 50 29.180 2.019 0.680 0.402 0.898 0.510 CB 1.517 50 residues pruned to eliminate duplicates Z: 73 37.287 2.010 0.848 0.446 0.861 0.583 CB 1.453 73 residues pruned to eliminate duplicates Z: 59 35.207 2.060 0.873 0.402 0.931 0.552 CB 1.426 59 residues pruned to eliminate duplicates Z: 19 12.856 2.026 0.720 0.213 0.889 0.500 CB 1.372 19 residues pruned to eliminate duplicates Z: 49 39.486 2.167 0.886 0.445 0.938 0.500 CB 1.575 49 residues pruned to eliminate duplicates Z: 38 23.440 2.026 0.622 0.433 0.838 0.622 CB 1.500 38 residues pruned to eliminate duplicates Z: 37 17.181 1.965 0.620 0.312 0.833 0.556 CB 1.330 37 residues pruned to eliminate duplicates Z: 41 22.567 2.041 0.537 0.404 0.875 0.575 CB 1.438 41 residues pruned to eliminate duplicates Z: 30 26.637 2.109 0.746 0.441 0.931 0.690 CB 1.534 30 residues pruned to eliminate duplicates Z: 49 32.565 2.047 0.854 0.461 0.896 0.625 CB 1.438 49 residues pruned to eliminate duplicates Z: 71 32.506 2.024 0.738 0.418 0.886 0.486 CB 1.358 71 residues pruned to eliminate duplicates Z: 24 24.711 2.124 0.678 0.411 0.957 0.783 CB 1.659 24 residues pruned to eliminate duplicates Z: 58 34.491 2.114 0.828 0.411 0.877 0.579 CB 1.479 58 residues pruned to eliminate duplicates Z: 17 16.835 2.093 0.676 0.445 0.812 0.625 CB 1.562 17 residues pruned to eliminate duplicates Z: 61 33.557 2.054 0.876 0.436 0.850 0.600 CB 1.413 61 residues pruned to eliminate duplicates Z: 40 25.119 2.071 0.605 0.370 0.897 0.564 CB 1.550 40 residues pruned to eliminate duplicates Z: 14 25.398 2.102 0.793 0.614 1.000 0.538 CA 1.677 14 residues pruned to eliminate duplicates Z: 60 38.151 2.089 0.840 0.436 0.932 0.610 CB 1.480 60 residues pruned to eliminate duplicates Z: 77 35.593 2.075 0.749 0.456 0.895 0.579 CB 1.315 77 residues pruned to eliminate duplicates Z: 28 26.120 2.138 0.788 0.456 0.889 0.741 CB 1.548 28 residues pruned to eliminate duplicates Z: 69 35.933 2.074 0.791 0.489 0.882 0.588 CB 1.344 69 residues pruned to eliminate duplicates Z: 34 26.757 2.137 0.888 0.430 0.788 0.485 CB 1.576 34 residues pruned to eliminate duplicates Z: 34 32.053 2.111 1.113 0.475 0.879 0.576 CB 1.459 34 residues pruned to eliminate duplicates Z: 112 42.993 2.055 0.746 0.460 0.865 0.559 CB 1.370 112 residues pruned to eliminate duplicates Z: 60 37.292 2.094 0.867 0.431 0.898 0.644 CB 1.486 60 residues pruned to eliminate duplicates Z: 77 32.668 2.029 0.748 0.425 0.842 0.500 CB 1.356 77 residues pruned to eliminate duplicates Z: 69 32.442 2.073 0.740 0.425 0.824 0.588 CB 1.431 69 residues pruned to eliminate duplicates Z: 51 24.417 2.021 0.698 0.442 0.860 0.480 CB 1.242 51 residues pruned to eliminate duplicates Z: 29 21.549 2.064 1.014 0.431 0.893 0.607 CB 1.179 29 residues pruned to eliminate duplicates Z: 59 39.803 2.121 0.857 0.461 0.914 0.690 CB 1.510 59 residues pruned to eliminate duplicates Z: 48 37.163 2.119 0.992 0.465 0.915 0.723 CB 1.455 48 residues pruned to eliminate duplicates Z: 19 26.231 2.154 1.147 0.437 1.000 0.556 CB 1.427 19 residues pruned to eliminate duplicates Z: 27 28.170 2.097 0.965 0.459 0.923 0.731 CB 1.513 27 residues pruned to eliminate duplicates Z: 27 23.427 2.111 0.880 0.502 0.846 0.654 CB 1.366 27 residues pruned to eliminate duplicates Z: 27 22.925 2.033 1.076 0.420 0.846 0.538 CB 1.368 27 residues pruned to eliminate duplicates Z: 70 29.268 2.026 0.772 0.464 0.797 0.507 CB 1.278 70 residues pruned to eliminate duplicates Z: 43 32.910 2.058 0.905 0.487 0.929 0.619 CB 1.414 43 residues pruned to eliminate duplicates Z: 33 37.000 2.171 1.045 0.484 0.938 0.656 CB 1.598 33 residues pruned to eliminate duplicates Z: 42 20.993 1.995 0.632 0.431 0.878 0.537 CB 1.232 42 residues pruned to eliminate duplicates Z: 19 25.408 2.110 1.110 0.477 1.000 0.722 CB 1.377 19 residues pruned to eliminate duplicates Z: 18 21.805 2.148 1.087 0.477 0.882 0.529 CB 1.369 18 residues pruned to eliminate duplicates Z: 8 4.473 1.743 0.376 0.337 0.714 0.429 CB 1.179 8 residues pruned to eliminate duplicates Z: 54 23.796 2.030 0.596 0.441 0.849 0.547 CB 1.262 54 residues pruned to eliminate duplicates Z: 7 6.600 2.073 0.400 0.382 0.833 0.500 CB 1.262 7 residues pruned to eliminate duplicates Z: 7 14.355 2.117 0.753 0.478 1.000 0.500 CA 1.614 7 residues pruned to eliminate duplicates Z: 35 24.129 2.044 0.817 0.485 0.853 0.618 CB 1.326 35 residues pruned to eliminate duplicates Z: 21 10.485 1.994 0.468 0.415 0.800 0.550 CB 1.094 21 residues pruned to eliminate duplicates Z: 10 7.448 1.888 0.608 0.447 0.778 0.444 CB 1.110 10 residues pruned to eliminate duplicates Z: 7 4.625 1.742 0.389 0.488 0.833 0.333 CB 0.947 7 residues pruned to eliminate duplicates Z: 31 17.146 2.031 0.461 0.475 0.867 0.467 CB 1.248 31 residues pruned to eliminate duplicates Z: 34 14.644 1.983 0.445 0.451 0.758 0.364 CB 1.235 34 residues pruned to eliminate duplicates Z: 33 17.640 1.984 0.435 0.497 0.875 0.438 CB 1.256 33 residues pruned to eliminate duplicates Z: 14 11.268 1.855 0.508 0.454 0.923 0.538 CA 1.270 14 residues pruned to eliminate duplicates Z: 30 21.724 2.051 0.642 0.472 0.966 0.448 CB 1.277 30 residues pruned to eliminate duplicates Z: 15 8.039 1.778 0.529 0.405 0.857 0.571 CB 1.019 15 residues pruned to eliminate duplicates Z: 19 15.411 1.987 0.622 0.436 0.889 0.500 CB 1.355 19 residues pruned to eliminate duplicates Z: 33 18.372 1.979 0.573 0.483 0.906 0.531 CB 1.171 33 residues pruned to eliminate duplicates Z: 29 19.007 2.049 0.552 0.483 0.786 0.571 CB 1.463 29 residues pruned to eliminate duplicates Z: 23 15.093 1.899 0.492 0.471 0.909 0.409 CB 1.286 23 residues pruned to eliminate duplicates Z: 28 12.439 1.975 0.378 0.430 0.741 0.407 CB 1.277 28 residues pruned to eliminate duplicates Z: 32 20.907 2.000 0.574 0.530 0.903 0.516 CB 1.283 32 residues pruned to eliminate duplicates Z: 33 16.208 2.007 0.511 0.473 0.750 0.438 CB 1.295 33 residues pruned to eliminate duplicates Z: 47 29.955 2.050 0.766 0.462 0.891 0.457 CB 1.423 47 residues pruned to eliminate duplicates Z: 33 21.037 1.975 0.566 0.522 0.938 0.594 CB 1.256 33 residues pruned to eliminate duplicates Z: 48 29.628 2.047 0.806 0.500 0.830 0.574 CB 1.409 48 residues pruned to eliminate duplicates Z: 22 14.507 1.958 0.632 0.393 0.857 0.429 CB 1.294 22 residues pruned to eliminate duplicates Z: 32 23.064 2.006 0.688 0.499 0.968 0.548 CB 1.265 32 residues pruned to eliminate duplicates Z: 49 19.752 1.893 0.518 0.478 0.875 0.458 CB 1.159 83 residues pruned to eliminate duplicates Z: 30 18.701 1.985 0.580 0.460 0.897 0.379 CB 1.287 30 residues pruned to eliminate duplicates Z: 47 20.996 1.930 0.564 0.508 0.870 0.435 CB 1.170 47 residues pruned to eliminate duplicates Z: 16 13.940 2.121 0.603 0.543 0.733 0.467 CB 1.385 16 residues pruned to eliminate duplicates Z: 36 19.436 1.973 0.687 0.399 0.800 0.429 CB 1.371 36 residues pruned to eliminate duplicates Z: 84 31.222 1.994 0.681 0.435 0.892 0.518 CB 1.226 84 residues pruned to eliminate duplicates Z: 50 31.207 2.113 0.806 0.493 0.796 0.490 CB 1.479 50 residues pruned to eliminate duplicates Z: 11 10.294 1.951 0.627 0.495 0.900 0.500 CB 1.145 Z: 6 3.202 1.584 0.898 0.277 1.000 0.600 CB 0.613 Z: 6 4.489 1.618 1.355 0.295 0.600 0.400 C 1.104 4 residues pruned to eliminate duplicates Z: 8 6.451 1.585 1.091 0.426 1.000 0.286 CA 0.795 Z: 7 4.402 1.529 0.698 0.481 1.000 0.000 CA 0.706 7 residues pruned to eliminate duplicates Z: 25 10.231 1.883 0.383 0.418 0.875 0.375 CB 0.999 16 residues pruned to eliminate duplicates Z: 9 2.029 1.472 0.328 0.528 0.875 0.375 CA 0.408 9 residues pruned to eliminate duplicates Z: 34 17.013 1.882 0.724 0.404 0.818 0.545 CB 1.234 59 residues pruned to eliminate duplicates Z: 17 9.342 1.717 0.477 0.639 0.812 0.562 CB 0.995 Z: 6 3.136 1.400 0.411 0.398 0.800 0.400 CA 0.988 6 residues pruned to eliminate duplicates Z: 52 26.663 1.990 0.667 0.446 0.863 0.549 CB 1.379 69 residues pruned to eliminate duplicates Z: 15 9.355 1.760 0.540 0.569 0.786 0.643 CB 1.098 Z: 6 9.812 1.796 1.210 0.862 1.000 1.000 CB 0.812 Z: 7 5.191 1.733 0.545 0.855 1.000 0.667 CB 0.584 11 residues pruned to eliminate duplicates Z: 7 8.001 1.752 0.823 0.859 1.000 0.833 CB 0.752 7 residues pruned to eliminate duplicates Z: 21 11.532 1.668 0.660 0.713 0.950 0.650 CB 0.808 17 residues pruned to eliminate duplicates Z: 8 10.889 1.631 0.672 0.895 1.000 0.857 CB 1.082 7 residues pruned to eliminate duplicates Z: 6 4.273 1.547 0.840 0.465 1.000 0.600 CB 0.696 6 residues pruned to eliminate duplicates Z: 35 22.346 1.922 0.874 0.393 0.912 0.529 CB 1.307 35 residues pruned to eliminate duplicates Z: 12 9.878 1.861 0.821 0.532 0.818 0.636 CB 1.040 12 residues pruned to eliminate duplicates Z: 11 10.516 1.749 0.663 0.537 0.900 0.600 CB 1.225 11 residues pruned to eliminate duplicates Z: 11 10.215 2.067 0.727 0.554 0.800 0.500 CB 1.073 11 residues pruned to eliminate duplicates Z: 35 23.634 1.941 0.808 0.431 0.882 0.588 CB 1.406 35 residues pruned to eliminate duplicates Z: 8 6.455 1.647 0.502 0.553 1.000 0.571 CB 0.937 8 residues pruned to eliminate duplicates Z: 25 16.294 1.933 0.739 0.418 0.833 0.542 CB 1.294 25 residues pruned to eliminate duplicates Z: 24 17.647 1.948 0.766 0.414 0.913 0.478 CB 1.281 24 residues pruned to eliminate duplicates Z: 22 17.731 2.066 0.739 0.424 0.905 0.571 CB 1.288 22 residues pruned to eliminate duplicates Z: 17 9.826 1.894 0.558 0.282 0.875 0.625 CB 1.216 17 residues pruned to eliminate duplicates Z: 24 16.386 1.969 0.643 0.410 0.870 0.565 CB 1.335 24 residues pruned to eliminate duplicates Z: 14 11.977 2.051 0.589 0.292 0.923 0.692 CB 1.395 14 residues pruned to eliminate duplicates Z: 30 18.252 2.003 0.689 0.359 0.828 0.621 CB 1.410 30 residues pruned to eliminate duplicates Z: 38 23.928 1.940 0.856 0.404 0.892 0.514 CB 1.355 38 residues pruned to eliminate duplicates Z: 6 7.618 1.656 1.015 0.370 1.000 0.400 CB 1.174 6 residues pruned to eliminate duplicates Z: 23 13.765 1.917 0.492 0.354 0.909 0.682 CB 1.321 22 residues pruned to eliminate duplicates Z: 6 2.062 1.670 0.392 0.100 0.800 0.200 CA 0.826 6 residues pruned to eliminate duplicates Z: 25 14.915 1.880 0.534 0.426 0.833 0.542 CB 1.369 25 residues pruned to eliminate duplicates Z: 11 14.732 2.012 0.649 0.641 1.000 0.700 CB 1.230 11 residues pruned to eliminate duplicates Z: 34 29.311 2.091 0.913 0.465 0.939 0.545 CB 1.408 34 residues pruned to eliminate duplicates Z: 9 13.191 1.765 1.252 0.623 0.750 0.750 C 1.393 9 residues pruned to eliminate duplicates Z: 35 35.538 2.184 1.192 0.491 0.882 0.588 CB 1.456 35 residues pruned to eliminate duplicates Z: 25 26.075 2.171 0.909 0.481 0.917 0.500 CB 1.429 25 residues pruned to eliminate duplicates Z: 25 26.711 2.106 0.976 0.491 0.875 0.583 CB 1.512 25 residues pruned to eliminate duplicates Z: 58 23.411 1.906 0.918 0.384 0.807 0.491 CB 1.190 58 residues pruned to eliminate duplicates Z: 23 15.730 2.076 0.772 0.436 0.727 0.591 CB 1.340 23 residues pruned to eliminate duplicates Z: 20 22.982 2.076 1.025 0.457 0.842 0.579 CB 1.556 20 residues pruned to eliminate duplicates Z: 26 27.839 2.151 1.010 0.509 0.840 0.600 CB 1.519 26 residues pruned to eliminate duplicates Z: 21 27.050 2.234 1.173 0.492 0.900 0.550 CB 1.396 21 residues pruned to eliminate duplicates Z: 31 28.194 2.132 1.036 0.461 0.833 0.567 CB 1.480 31 residues pruned to eliminate duplicates Z: 39 34.450 2.178 1.007 0.514 0.868 0.684 CB 1.451 39 residues pruned to eliminate duplicates Z: 82 48.385 2.257 0.830 0.477 0.926 0.531 CB 1.439 134 residues pruned to eliminate duplicates Z: 42 27.670 2.135 0.852 0.440 0.878 0.488 CB 1.324 42 residues pruned to eliminate duplicates Z: 25 33.657 2.176 1.032 0.564 1.000 0.583 CB 1.460 25 residues pruned to eliminate duplicates Z: 35 36.845 2.165 1.195 0.487 0.912 0.559 CB 1.477 35 residues pruned to eliminate duplicates Z: 95 42.130 2.169 0.825 0.453 0.830 0.426 CB 1.388 95 residues pruned to eliminate duplicates Z: 35 26.223 2.045 1.004 0.453 0.853 0.441 CB 1.349 35 residues pruned to eliminate duplicates Z: 34 34.130 2.155 1.091 0.497 0.879 0.515 CB 1.505 34 residues pruned to eliminate duplicates Z: 33 33.061 2.170 1.083 0.481 0.906 0.656 CB 1.454 33 residues pruned to eliminate duplicates Z: 9 23.229 2.249 1.497 0.464 1.000 0.625 CA 1.516 9 residues pruned to eliminate duplicates Z: 32 36.188 2.233 1.250 0.528 0.871 0.613 CB 1.445 32 residues pruned to eliminate duplicates Z: 32 39.602 2.198 1.235 0.576 0.935 0.613 CB 1.438 32 residues pruned to eliminate duplicates Z: 21 21.340 2.245 1.024 0.483 0.900 0.550 CB 1.188 21 residues pruned to eliminate duplicates Z: 33 30.832 2.137 1.027 0.539 0.844 0.625 CB 1.435 33 residues pruned to eliminate duplicates Z: 65 44.900 2.265 0.993 0.437 0.875 0.625 CB 1.518 55 residues pruned to eliminate duplicates Z: 6 8.073 1.527 0.946 0.459 1.000 0.800 CA 1.267 6 residues pruned to eliminate duplicates Z: 17 12.848 2.067 0.545 0.327 0.938 0.438 CB 1.298 17 residues pruned to eliminate duplicates Z: 101 49.317 2.177 0.790 0.473 0.940 0.540 CB 1.383 101 residues pruned to eliminate duplicates Z: 39 25.207 2.204 0.993 0.418 0.816 0.579 CB 1.243 39 residues pruned to eliminate duplicates Z: 49 33.424 2.287 0.670 0.467 0.875 0.521 CB 1.492 49 residues pruned to eliminate duplicates Z: 6 3.564 1.689 0.739 0.213 0.600 0.000 CA 1.269 Z: 6 4.158 1.537 0.376 0.344 1.000 1.000 CA 1.042 6 residues pruned to eliminate duplicates Z: 54 33.970 2.253 0.656 0.473 0.906 0.491 CB 1.419 60 residues pruned to eliminate duplicates Z: 61 30.628 2.178 0.605 0.411 0.900 0.450 CB 1.380 60 residues pruned to eliminate duplicates Z: 6 5.791 1.902 0.790 0.444 0.600 0.600 CA 1.343 6 residues pruned to eliminate duplicates Z: 50 33.143 2.198 0.725 0.547 0.898 0.490 CB 1.328 50 residues pruned to eliminate duplicates Z: 51 33.257 2.176 0.798 0.449 0.920 0.520 CB 1.377 51 residues pruned to eliminate duplicates Z: 59 34.039 2.249 0.666 0.469 0.914 0.483 CB 1.348 60 residues pruned to eliminate duplicates Z: 9 4.128 1.698 0.564 0.353 0.750 0.625 CB 0.860 9 residues pruned to eliminate duplicates Z: 68 41.036 2.242 0.877 0.462 0.896 0.552 CB 1.383 68 residues pruned to eliminate duplicates Z: 38 23.027 2.154 0.690 0.426 0.784 0.432 CB 1.433 38 residues pruned to eliminate duplicates Z: 52 39.977 2.163 0.926 0.491 0.922 0.510 CB 1.471 52 residues pruned to eliminate duplicates Z: 83 47.502 2.284 0.907 0.475 0.841 0.610 CB 1.468 83 residues pruned to eliminate duplicates Z: 70 37.274 2.214 0.753 0.490 0.884 0.493 CB 1.321 70 residues pruned to eliminate duplicates Z: 49 37.355 2.259 0.757 0.458 0.979 0.479 CB 1.448 49 residues pruned to eliminate duplicates Z: 6 6.916 1.911 0.159 0.453 1.000 0.600 CB 1.466 6 residues pruned to eliminate duplicates Z: 38 26.435 2.116 0.892 0.471 0.919 0.405 CB 1.217 38 residues pruned to eliminate duplicates Z: 45 36.894 2.274 0.748 0.480 0.955 0.455 CB 1.496 45 residues pruned to eliminate duplicates Z: 49 32.552 2.209 0.852 0.487 0.896 0.521 CB 1.299 49 residues pruned to eliminate duplicates Z: 20 20.772 2.104 0.780 0.459 0.947 0.526 CA 1.401 20 residues pruned to eliminate duplicates Z: 62 38.839 2.216 0.753 0.529 0.918 0.590 CB 1.356 62 residues pruned to eliminate duplicates Z: 37 39.171 2.225 1.135 0.519 0.917 0.583 CB 1.470 37 residues pruned to eliminate duplicates Z: 46 38.008 2.298 0.892 0.481 0.911 0.533 CB 1.459 46 residues pruned to eliminate duplicates Z: 49 32.543 2.207 0.861 0.472 0.875 0.458 CB 1.345 49 residues pruned to eliminate duplicates Z: 40 31.553 2.310 0.827 0.497 0.821 0.564 CB 1.462 40 residues pruned to eliminate duplicates Z: 34 20.338 2.125 0.681 0.424 0.848 0.455 CB 1.264 34 residues pruned to eliminate duplicates Z: 19 21.033 2.124 0.703 0.469 0.944 0.556 CB 1.498 19 residues pruned to eliminate duplicates Z: 19 20.176 2.173 1.006 0.472 0.833 0.556 CB 1.348 19 residues pruned to eliminate duplicates Z: 65 28.809 2.129 0.703 0.449 0.875 0.578 CB 1.195 65 residues pruned to eliminate duplicates Z: 49 31.998 2.249 0.757 0.456 0.875 0.562 CB 1.398 49 residues pruned to eliminate duplicates Z: 57 36.774 2.272 0.778 0.452 0.893 0.554 CB 1.431 58 residues pruned to eliminate duplicates Z: 6 6.706 1.751 0.514 0.627 0.800 0.200 CB 1.255 Z: 11 9.556 1.782 0.574 0.657 0.900 0.800 CB 1.035 Z: 10 7.144 1.727 0.233 0.681 0.889 0.889 CB 1.065 10 residues pruned to eliminate duplicates Z: 15 9.759 1.869 0.273 0.522 0.929 0.429 CB 1.155 8 residues pruned to eliminate duplicates Z: 6 9.213 2.008 0.517 0.841 1.000 1.000 CB 1.008 6 residues pruned to eliminate duplicates Z: 7 9.246 1.914 0.843 0.868 1.000 0.667 CB 0.782 7 residues pruned to eliminate duplicates Z: 21 11.712 1.773 0.561 0.646 0.900 0.450 CB 0.917 20 residues pruned to eliminate duplicates Z: 7 11.298 1.952 0.821 0.870 1.000 0.833 CB 0.947 7 residues pruned to eliminate duplicates Z: 7 10.290 1.958 0.792 0.887 1.000 1.000 CB 0.864 7 residues pruned to eliminate duplicates 436 residues left after pruning, divided into chains as follows: A: 11 B: 134 C: 27 D: 9 E: 20 F: 176 G: 40 H: 19 CC for partial structure against native data = 36.91 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.388, Connect. = 0.682 for dens.mod. cycle 1 = 0.300, Contrast = 0.449, Connect. = 0.711 for dens.mod. cycle 2 = 0.300, Contrast = 0.533, Connect. = 0.746 for dens.mod. cycle 3 = 0.300, Contrast = 0.543, Connect. = 0.748 for dens.mod. cycle 4 = 0.300, Contrast = 0.553, Connect. = 0.751 for dens.mod. cycle 5 = 0.300, Contrast = 0.557, Connect. = 0.753 for dens.mod. cycle 6 = 0.300, Contrast = 0.562, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.564, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.565, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.565, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2921 peaks > 0.5 sigma used to seed fragment search Space for about 617 unique residues taking solvent into account 581 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 30 33.073 2.362 0.978 0.461 0.862 0.552 CB 1.587 B: 60 31.802 2.140 0.756 0.453 0.915 0.525 CB 1.262 C: 32 27.737 2.316 0.720 0.459 0.839 0.484 CB 1.556 30 residues pruned to eliminate duplicates D: 88 43.858 2.186 0.772 0.470 0.908 0.529 CB 1.378 32 residues pruned to eliminate duplicates E: 13 15.939 2.018 0.744 0.444 0.917 0.583 CA 1.511 F: 29 26.478 2.355 0.687 0.472 0.821 0.571 CB 1.578 31 residues pruned to eliminate duplicates G: 33 25.777 2.217 0.735 0.514 0.875 0.500 CB 1.335 33 residues pruned to eliminate duplicates H: 42 30.163 2.266 0.701 0.468 0.902 0.610 CB 1.399 39 residues pruned to eliminate duplicates I: 60 40.079 2.237 0.914 0.453 0.898 0.610 CB 1.424 47 residues pruned to eliminate duplicates J: 12 12.019 1.993 0.734 0.419 1.000 0.636 CB 1.141 12 residues pruned to eliminate duplicates K: 20 9.904 1.924 0.508 0.345 0.789 0.368 CB 1.173 20 residues pruned to eliminate duplicates L: 30 19.237 2.043 0.767 0.448 0.759 0.517 CB 1.375 30 residues pruned to eliminate duplicates M: 32 25.677 2.134 0.905 0.454 0.839 0.452 CB 1.417 N: 16 15.645 2.130 0.907 0.466 0.800 0.667 CB 1.287 16 residues pruned to eliminate duplicates O: 26 23.575 2.109 0.808 0.467 0.920 0.600 CB 1.390 21 residues pruned to eliminate duplicates P: 59 34.712 2.233 0.845 0.457 0.793 0.586 CB 1.458 59 residues pruned to eliminate duplicates Q: 9 5.320 2.127 0.432 0.472 0.625 0.375 CB 1.016 9 residues pruned to eliminate duplicates R: 65 32.017 2.043 0.716 0.410 0.875 0.594 CB 1.433 S: 38 23.913 1.994 0.623 0.409 0.892 0.595 CB 1.499 35 residues pruned to eliminate duplicates T: 53 32.828 2.236 0.874 0.444 0.808 0.500 CB 1.425 53 residues pruned to eliminate duplicates U: 31 19.173 1.985 0.588 0.380 0.900 0.500 CB 1.403 31 residues pruned to eliminate duplicates V: 49 27.462 2.095 0.631 0.433 0.938 0.604 CB 1.326 24 residues pruned to eliminate duplicates W: 30 22.148 1.973 0.870 0.362 0.862 0.655 CA 1.500 13 residues pruned to eliminate duplicates X: 8 7.046 2.020 0.740 0.475 0.857 0.714 CB 0.907 8 residues pruned to eliminate duplicates Y: 15 18.656 2.089 0.780 0.548 0.857 0.714 CB 1.492 15 residues pruned to eliminate duplicates Z: 6 7.326 1.558 0.952 0.699 0.800 0.400 CB 1.124 6 residues pruned to eliminate duplicates Z: 33 24.720 2.247 0.783 0.445 0.812 0.500 CB 1.421 33 residues pruned to eliminate duplicates Z: 26 14.931 2.014 0.418 0.482 0.880 0.360 CB 1.210 Z: 83 44.248 2.210 0.860 0.474 0.854 0.488 CB 1.430 87 residues pruned to eliminate duplicates Z: 45 28.647 2.220 0.676 0.469 0.886 0.591 CB 1.352 45 residues pruned to eliminate duplicates Z: 44 33.363 2.252 0.687 0.495 0.907 0.488 CB 1.483 44 residues pruned to eliminate duplicates Z: 15 15.577 2.048 0.622 0.546 0.929 0.643 CB 1.290 15 residues pruned to eliminate duplicates Z: 22 28.000 2.310 0.817 0.427 0.905 0.619 CB 1.735 22 residues pruned to eliminate duplicates Z: 26 23.826 2.182 0.607 0.354 0.960 0.680 CA 1.658 28 residues pruned to eliminate duplicates Z: 35 31.423 2.089 0.782 0.484 0.941 0.647 CA 1.564 38 residues pruned to eliminate duplicates Z: 41 27.613 2.118 0.879 0.438 0.850 0.425 CB 1.376 41 residues pruned to eliminate duplicates Z: 59 27.298 2.090 0.641 0.445 0.879 0.517 CB 1.258 59 residues pruned to eliminate duplicates Z: 71 38.449 2.235 0.769 0.452 0.857 0.586 CB 1.424 71 residues pruned to eliminate duplicates Z: 44 21.242 2.064 0.432 0.437 0.907 0.581 CB 1.290 25 residues pruned to eliminate duplicates Z: 49 31.542 2.052 0.877 0.405 0.917 0.542 CB 1.425 49 residues pruned to eliminate duplicates Z: 93 40.970 2.193 0.698 0.464 0.891 0.489 CB 1.335 94 residues pruned to eliminate duplicates Z: 42 27.035 2.048 0.595 0.449 0.878 0.683 CB 1.551 42 residues pruned to eliminate duplicates Z: 37 24.502 1.937 0.854 0.377 0.889 0.528 CB 1.458 28 residues pruned to eliminate duplicates Z: 65 41.177 2.266 0.937 0.441 0.859 0.531 CB 1.450 65 residues pruned to eliminate duplicates Z: 28 16.780 1.941 0.523 0.418 0.926 0.333 CB 1.285 26 residues pruned to eliminate duplicates Z: 78 37.809 2.145 0.793 0.441 0.870 0.442 CB 1.368 78 residues pruned to eliminate duplicates Z: 64 36.713 2.075 0.844 0.426 0.889 0.508 CB 1.469 61 residues pruned to eliminate duplicates Z: 68 39.528 2.275 0.865 0.432 0.866 0.537 CB 1.411 68 residues pruned to eliminate duplicates Z: 30 14.883 2.010 0.563 0.446 0.793 0.483 CB 1.172 30 residues pruned to eliminate duplicates Z: 12 18.317 1.980 0.842 0.614 0.909 0.727 CB 1.495 12 residues pruned to eliminate duplicates Z: 20 14.289 1.996 0.596 0.517 0.947 0.526 CB 1.068 14 residues pruned to eliminate duplicates Z: 8 9.189 1.871 0.661 0.461 0.857 0.571 C 1.356 9 residues pruned to eliminate duplicates Z: 17 16.056 2.147 0.578 0.389 0.812 0.438 CB 1.640 17 residues pruned to eliminate duplicates Z: 31 25.259 2.286 0.764 0.501 0.800 0.500 CB 1.429 31 residues pruned to eliminate duplicates Z: 40 16.839 1.935 0.573 0.429 0.769 0.436 CB 1.240 38 residues pruned to eliminate duplicates Z: 34 19.771 1.936 0.665 0.487 0.909 0.515 CB 1.190 34 residues pruned to eliminate duplicates Z: 24 16.400 1.950 0.459 0.350 0.957 0.696 CB 1.478 24 residues pruned to eliminate duplicates Z: 92 39.024 2.054 0.730 0.458 0.890 0.505 CB 1.350 95 residues pruned to eliminate duplicates Z: 23 15.826 1.982 0.745 0.422 0.864 0.545 CB 1.226 23 residues pruned to eliminate duplicates Z: 55 40.683 2.245 1.026 0.491 0.907 0.537 CB 1.353 55 residues pruned to eliminate duplicates Z: 18 8.976 1.701 0.468 0.430 0.824 0.353 CB 1.138 13 residues pruned to eliminate duplicates Z: 12 11.655 1.972 0.996 0.352 0.818 0.455 CA 1.280 12 residues pruned to eliminate duplicates Z: 45 33.710 2.184 0.914 0.389 0.932 0.636 CB 1.467 45 residues pruned to eliminate duplicates Z: 10 13.056 2.126 0.710 0.652 0.778 0.444 CB 1.336 10 residues pruned to eliminate duplicates Z: 8 12.972 1.868 0.639 0.891 1.000 1.000 CB 1.152 8 residues pruned to eliminate duplicates Z: 72 41.074 2.211 0.875 0.447 0.887 0.549 CB 1.399 72 residues pruned to eliminate duplicates Z: 48 41.237 2.291 0.889 0.499 0.936 0.553 CB 1.486 48 residues pruned to eliminate duplicates Z: 53 33.486 2.257 0.826 0.451 0.846 0.538 CB 1.400 53 residues pruned to eliminate duplicates Z: 8 14.734 2.422 0.647 0.530 0.857 0.714 CB 1.581 8 residues pruned to eliminate duplicates Z: 18 16.310 2.055 0.429 0.628 0.941 0.412 CB 1.269 18 residues pruned to eliminate duplicates Z: 62 34.581 2.208 0.898 0.453 0.820 0.508 CB 1.353 62 residues pruned to eliminate duplicates Z: 37 18.622 1.984 0.778 0.342 0.861 0.583 CB 1.214 37 residues pruned to eliminate duplicates Z: 26 29.271 2.218 0.899 0.490 0.920 0.480 CB 1.526 26 residues pruned to eliminate duplicates Z: 19 12.147 1.797 0.502 0.379 0.889 0.444 CB 1.358 17 residues pruned to eliminate duplicates Z: 32 33.074 2.190 1.026 0.459 0.903 0.516 CB 1.546 32 residues pruned to eliminate duplicates Z: 35 16.788 1.975 0.461 0.469 0.853 0.441 CB 1.208 35 residues pruned to eliminate duplicates Z: 11 7.769 1.999 0.438 0.457 0.800 0.400 CB 1.117 Z: 33 27.804 2.271 0.696 0.466 0.938 0.469 CB 1.410 33 residues pruned to eliminate duplicates Z: 45 31.516 2.278 0.870 0.424 0.795 0.455 CB 1.517 45 residues pruned to eliminate duplicates Z: 63 29.987 2.118 0.518 0.466 0.919 0.468 CB 1.333 63 residues pruned to eliminate duplicates Z: 8 8.963 1.998 0.666 0.576 1.000 0.571 CB 0.946 8 residues pruned to eliminate duplicates Z: 40 21.276 1.973 0.601 0.429 0.897 0.513 CB 1.293 41 residues pruned to eliminate duplicates Z: 44 23.572 1.998 0.537 0.478 0.953 0.535 CB 1.254 30 residues pruned to eliminate duplicates Z: 47 25.976 2.121 0.684 0.431 0.848 0.391 CB 1.358 47 residues pruned to eliminate duplicates Z: 64 37.664 2.263 0.783 0.474 0.810 0.571 CB 1.492 64 residues pruned to eliminate duplicates Z: 8 13.402 1.897 0.549 0.891 1.000 1.000 CB 1.240 8 residues pruned to eliminate duplicates Z: 19 12.292 1.941 0.788 0.301 0.778 0.333 CB 1.341 19 residues pruned to eliminate duplicates Z: 50 31.519 2.097 0.727 0.417 0.898 0.531 CB 1.510 50 residues pruned to eliminate duplicates Z: 9 14.162 1.745 0.811 0.569 1.000 0.625 CA 1.482 9 residues pruned to eliminate duplicates Z: 43 27.970 2.184 0.727 0.457 0.857 0.571 CB 1.394 43 residues pruned to eliminate duplicates Z: 15 11.412 1.986 0.646 0.330 0.929 0.571 CB 1.211 11 residues pruned to eliminate duplicates Z: 53 29.919 2.165 0.670 0.419 0.846 0.462 CB 1.475 53 residues pruned to eliminate duplicates Z: 19 12.508 1.945 0.666 0.468 0.889 0.556 CB 1.058 18 residues pruned to eliminate duplicates Z: 8 14.465 1.915 0.616 0.901 1.000 0.857 CB 1.262 8 residues pruned to eliminate duplicates Z: 26 24.677 2.249 1.006 0.475 0.840 0.600 CB 1.336 26 residues pruned to eliminate duplicates Z: 19 17.460 2.093 0.798 0.444 0.778 0.556 CB 1.490 19 residues pruned to eliminate duplicates Z: 12 11.995 1.999 0.539 0.519 1.000 0.636 CB 1.153 12 residues pruned to eliminate duplicates Z: 8 10.837 1.791 1.136 0.879 1.000 0.714 CB 0.776 Z: 82 33.494 2.059 0.646 0.421 0.889 0.531 CB 1.341 82 residues pruned to eliminate duplicates Z: 23 22.769 2.055 0.914 0.406 0.909 0.455 CB 1.498 23 residues pruned to eliminate duplicates Z: 94 40.325 2.172 0.735 0.460 0.849 0.462 CB 1.361 94 residues pruned to eliminate duplicates Z: 28 19.989 2.250 0.634 0.429 0.778 0.593 CB 1.449 28 residues pruned to eliminate duplicates Z: 68 39.823 2.276 0.715 0.475 0.866 0.522 CB 1.476 68 residues pruned to eliminate duplicates Z: 7 10.410 1.892 0.763 0.531 1.000 0.667 N 1.236 Z: 12 11.060 1.724 0.523 0.799 1.000 0.727 CB 0.978 13 residues pruned to eliminate duplicates Z: 32 32.916 2.328 0.700 0.530 0.935 0.677 CB 1.550 32 residues pruned to eliminate duplicates Z: 22 26.844 2.250 0.864 0.458 0.905 0.714 CB 1.612 22 residues pruned to eliminate duplicates Z: 19 10.961 1.971 0.492 0.474 0.778 0.556 CB 1.160 19 residues pruned to eliminate duplicates Z: 11 11.747 1.768 0.655 0.523 1.000 0.800 CB 1.241 11 residues pruned to eliminate duplicates Z: 29 17.995 1.976 0.553 0.384 0.929 0.536 CB 1.349 29 residues pruned to eliminate duplicates Z: 7 10.937 1.773 1.162 0.697 0.833 0.667 CB 1.168 Z: 11 5.847 1.662 0.306 0.208 1.000 0.600 CB 1.202 11 residues pruned to eliminate duplicates Z: 11 11.780 2.172 0.915 0.379 0.800 0.400 CB 1.273 11 residues pruned to eliminate duplicates Z: 23 23.706 2.227 0.730 0.462 0.864 0.545 CB 1.579 23 residues pruned to eliminate duplicates Z: 6 6.967 1.517 0.854 0.723 0.800 0.600 CA 1.133 Z: 18 22.364 2.232 0.887 0.405 1.000 0.471 CB 1.424 18 residues pruned to eliminate duplicates Z: 11 3.213 1.641 0.028 0.279 0.700 0.600 CB 1.105 Z: 8 4.877 1.747 0.353 0.358 0.714 0.571 CB 1.272 9 residues pruned to eliminate duplicates Z: 20 19.367 1.978 0.711 0.564 1.000 0.579 CB 1.234 20 residues pruned to eliminate duplicates Z: 86 31.510 2.170 0.727 0.405 0.812 0.518 CB 1.241 86 residues pruned to eliminate duplicates Z: 18 13.347 1.916 0.489 0.729 0.882 0.647 CB 1.047 18 residues pruned to eliminate duplicates Z: 12 8.619 1.764 0.203 0.646 0.818 0.727 N 1.306 Z: 42 23.601 1.976 0.730 0.483 0.805 0.512 CB 1.362 42 residues pruned to eliminate duplicates Z: 13 10.531 1.969 0.686 0.483 0.750 0.583 CB 1.241 13 residues pruned to eliminate duplicates Z: 8 5.143 1.732 0.517 0.853 1.000 0.714 CB 0.547 Z: 39 29.809 2.060 0.632 0.462 0.947 0.737 CB 1.577 41 residues pruned to eliminate duplicates Z: 27 25.654 2.139 0.655 0.391 0.962 0.615 CA 1.659 27 residues pruned to eliminate duplicates Z: 43 23.463 1.975 0.662 0.482 0.857 0.548 CB 1.311 46 residues pruned to eliminate duplicates Z: 24 23.623 2.107 0.844 0.484 0.870 0.565 CB 1.482 24 residues pruned to eliminate duplicates Z: 16 14.276 2.015 0.645 0.348 0.867 0.467 CA 1.513 16 residues pruned to eliminate duplicates Z: 36 26.324 2.030 0.762 0.485 0.914 0.571 CB 1.381 36 residues pruned to eliminate duplicates Z: 15 11.318 1.894 0.622 0.352 1.000 0.429 CB 1.155 15 residues pruned to eliminate duplicates Z: 11 10.110 1.682 0.841 0.653 0.800 0.400 CB 1.119 11 residues pruned to eliminate duplicates Z: 30 16.755 2.020 0.411 0.349 0.828 0.414 CA 1.555 30 residues pruned to eliminate duplicates Z: 59 26.251 2.052 0.588 0.408 0.914 0.586 CB 1.275 59 residues pruned to eliminate duplicates Z: 26 22.082 2.005 0.709 0.434 0.880 0.520 CB 1.568 26 residues pruned to eliminate duplicates Z: 10 3.069 1.643 -0.077 0.459 0.556 0.556 CB 1.266 Z: 7 9.647 1.852 0.589 0.897 1.000 1.000 CB 0.958 7 residues pruned to eliminate duplicates Z: 50 28.668 2.156 0.752 0.483 0.857 0.490 CB 1.287 50 residues pruned to eliminate duplicates Z: 7 7.540 1.947 0.771 0.779 1.000 0.833 CB 0.698 Z: 33 22.443 2.204 0.667 0.506 0.844 0.500 CB 1.271 33 residues pruned to eliminate duplicates Z: 7 5.081 1.842 0.442 0.517 0.833 0.667 CA 0.921 Z: 43 25.565 1.996 0.696 0.420 0.857 0.571 CB 1.477 43 residues pruned to eliminate duplicates Z: 13 15.883 1.932 0.712 0.616 0.917 0.750 CB 1.355 13 residues pruned to eliminate duplicates Z: 8 3.145 1.430 0.173 0.650 0.714 0.429 C 0.863 Z: 48 24.456 2.004 0.713 0.430 0.894 0.447 CB 1.250 48 residues pruned to eliminate duplicates Z: 12 12.239 1.965 0.484 0.359 1.000 0.636 CB 1.474 12 residues pruned to eliminate duplicates Z: 46 26.381 1.978 0.573 0.503 0.956 0.556 CB 1.319 41 residues pruned to eliminate duplicates Z: 56 37.407 2.270 0.830 0.469 0.855 0.582 CB 1.466 56 residues pruned to eliminate duplicates Z: 7 5.333 1.879 0.371 0.851 1.000 1.000 CB 0.625 7 residues pruned to eliminate duplicates Z: 28 22.678 2.057 0.695 0.360 0.889 0.667 CA 1.639 33 residues pruned to eliminate duplicates Z: 18 12.893 1.944 0.630 0.550 0.882 0.647 CB 1.066 18 residues pruned to eliminate duplicates Z: 21 11.915 1.909 0.388 0.500 0.900 0.700 CB 1.117 21 residues pruned to eliminate duplicates Z: 9 14.161 1.946 0.577 0.609 1.000 0.875 CB 1.472 9 residues pruned to eliminate duplicates Z: 10 9.302 1.776 0.633 0.422 0.889 0.556 CB 1.305 10 residues pruned to eliminate duplicates Z: 28 21.428 2.081 0.500 0.395 0.889 0.630 CB 1.660 28 residues pruned to eliminate duplicates Z: 25 21.899 2.278 0.814 0.492 0.833 0.500 CB 1.308 25 residues pruned to eliminate duplicates Z: 8 6.749 1.837 0.367 0.246 1.000 0.571 CB 1.362 8 residues pruned to eliminate duplicates Z: 24 12.847 1.896 0.475 0.421 0.826 0.609 CB 1.258 24 residues pruned to eliminate duplicates Z: 6 3.347 1.636 0.803 0.530 0.600 0.600 CB 0.821 4 residues pruned to eliminate duplicates Z: 6 8.851 1.645 1.365 0.568 0.800 0.600 CB 1.191 Z: 21 14.777 1.870 0.985 0.361 0.700 0.450 CB 1.477 21 residues pruned to eliminate duplicates Z: 6 11.307 1.705 0.539 0.853 1.000 0.800 CB 1.424 6 residues pruned to eliminate duplicates Z: 27 28.540 2.273 1.010 0.514 0.923 0.462 CB 1.308 27 residues pruned to eliminate duplicates Z: 17 16.794 2.046 0.615 0.428 0.938 0.500 CB 1.460 17 residues pruned to eliminate duplicates Z: 25 10.549 1.744 0.546 0.423 0.833 0.667 CB 1.038 40 residues pruned to eliminate duplicates Z: 19 22.940 2.169 0.843 0.511 0.944 0.500 CB 1.417 19 residues pruned to eliminate duplicates Z: 24 14.217 1.802 0.729 0.428 0.870 0.565 CB 1.179 24 residues pruned to eliminate duplicates Z: 8 5.751 1.654 0.502 0.604 0.857 0.714 CB 0.925 Z: 14 10.760 1.863 0.700 0.487 0.769 0.385 CB 1.242 14 residues pruned to eliminate duplicates Z: 28 21.542 2.002 0.696 0.389 0.926 0.630 CA 1.483 28 residues pruned to eliminate duplicates Z: 6 5.108 1.434 0.602 0.768 0.800 0.600 CA 0.981 Z: 14 9.533 1.627 0.532 0.684 0.923 0.615 CB 0.971 8 residues pruned to eliminate duplicates Z: 17 8.487 1.742 0.443 0.431 0.875 0.625 CB 1.036 17 residues pruned to eliminate duplicates Z: 6 7.320 1.488 0.826 0.758 0.800 0.800 C 1.197 6 residues pruned to eliminate duplicates Z: 18 15.991 1.746 1.084 0.488 0.882 0.588 CB 1.223 Z: 17 10.427 2.081 0.693 0.312 0.750 0.562 CB 1.214 17 residues pruned to eliminate duplicates Z: 39 22.581 1.958 0.567 0.384 0.921 0.605 CB 1.467 39 residues pruned to eliminate duplicates Z: 12 17.943 2.081 0.938 0.497 0.818 0.636 CB 1.644 12 residues pruned to eliminate duplicates Z: 9 4.273 1.619 -0.222 0.567 1.000 0.500 CB 1.124 Z: 8 10.438 1.785 0.728 0.551 1.000 0.714 CB 1.217 8 residues pruned to eliminate duplicates Z: 28 14.799 1.830 0.695 0.555 0.815 0.556 CB 1.068 16 residues pruned to eliminate duplicates Z: 35 25.786 2.025 0.712 0.427 0.912 0.500 CA 1.509 35 residues pruned to eliminate duplicates Z: 25 15.756 1.993 0.475 0.343 0.833 0.625 CA 1.557 25 residues pruned to eliminate duplicates Z: 20 14.668 1.856 0.641 0.536 0.947 0.737 CB 1.125 21 residues pruned to eliminate duplicates Z: 37 23.671 1.982 0.787 0.397 0.861 0.472 CA 1.443 36 residues pruned to eliminate duplicates Z: 9 2.632 1.490 -0.123 0.307 0.750 0.500 O 1.177 Z: 6 5.503 1.794 0.649 0.585 0.600 0.600 CB 1.278 6 residues pruned to eliminate duplicates Z: 13 7.649 1.776 0.406 0.489 0.750 0.333 CB 1.193 13 residues pruned to eliminate duplicates Z: 54 23.591 1.940 0.574 0.483 0.887 0.491 CB 1.218 54 residues pruned to eliminate duplicates Z: 11 16.488 2.203 0.781 0.500 0.900 0.500 CB 1.477 11 residues pruned to eliminate duplicates Z: 60 24.154 1.943 0.559 0.538 0.915 0.475 CB 1.092 60 residues pruned to eliminate duplicates Z: 7 4.067 1.054 0.634 0.684 1.000 0.667 O 0.814 7 residues pruned to eliminate duplicates Z: 13 10.839 1.876 0.322 0.706 0.833 0.333 CB 1.256 13 residues pruned to eliminate duplicates Z: 18 13.394 1.766 0.616 0.768 0.941 0.706 CB 0.954 18 residues pruned to eliminate duplicates Z: 7 2.783 1.689 -0.136 0.439 0.667 0.667 CA 1.245 Z: 12 9.811 1.757 0.126 0.822 1.000 1.000 CB 1.131 12 residues pruned to eliminate duplicates Z: 26 24.780 2.188 0.658 0.389 0.920 0.560 CA 1.669 26 residues pruned to eliminate duplicates Z: 17 13.943 1.666 0.871 0.474 1.000 0.688 CB 1.149 17 residues pruned to eliminate duplicates Z: 25 14.090 1.999 0.538 0.338 0.917 0.542 CB 1.218 25 residues pruned to eliminate duplicates Z: 8 6.328 1.773 0.231 0.891 1.000 0.857 CB 0.788 8 residues pruned to eliminate duplicates Z: 6 7.223 1.487 0.823 0.742 0.800 0.800 C 1.199 6 residues pruned to eliminate duplicates Z: 17 14.409 1.950 0.566 0.513 0.875 0.562 CB 1.331 17 residues pruned to eliminate duplicates Z: 12 6.826 1.713 0.363 0.262 0.909 0.455 CB 1.272 12 residues pruned to eliminate duplicates Z: 38 21.994 2.061 0.505 0.433 0.946 0.568 CB 1.321 38 residues pruned to eliminate duplicates Z: 20 17.685 1.963 0.929 0.499 0.895 0.526 CB 1.199 20 residues pruned to eliminate duplicates Z: 10 5.926 1.711 0.313 0.621 0.667 0.444 CB 1.177 11 residues pruned to eliminate duplicates Z: 12 8.138 1.931 0.445 0.508 0.818 0.545 CB 1.067 12 residues pruned to eliminate duplicates Z: 31 20.992 2.114 0.673 0.481 0.833 0.467 CB 1.326 31 residues pruned to eliminate duplicates Z: 47 24.011 1.991 0.506 0.525 0.891 0.565 CB 1.293 47 residues pruned to eliminate duplicates Z: 7 3.737 1.652 0.130 0.518 0.833 0.500 CB 0.964 9 residues pruned to eliminate duplicates Z: 12 14.077 2.059 0.704 0.550 0.909 0.636 CB 1.268 12 residues pruned to eliminate duplicates Z: 33 17.371 1.921 0.505 0.505 0.906 0.469 CB 1.166 33 residues pruned to eliminate duplicates Z: 7 6.582 1.848 0.139 0.836 1.000 0.833 CB 0.956 7 residues pruned to eliminate duplicates Z: 11 6.535 1.736 0.410 0.383 0.800 0.400 CB 1.195 11 residues pruned to eliminate duplicates Z: 24 20.857 1.961 0.757 0.481 0.957 0.652 CB 1.345 24 residues pruned to eliminate duplicates Z: 7 2.717 1.745 0.333 0.245 0.500 0.500 C 1.280 7 residues pruned to eliminate duplicates 6 1.804 1.623 -0.006 0.296 0.800 0.400 CB 0.785 ? Z: 9 3.432 1.412 0.201 0.323 0.750 0.375 CB 1.159 7 residues pruned to eliminate duplicates Z: 7 4.013 1.544 0.581 0.667 0.833 0.833 CB 0.690 Z: 8 6.252 1.792 0.188 0.854 1.000 0.714 CB 0.819 8 residues pruned to eliminate duplicates Z: 17 12.356 1.909 0.579 0.706 0.938 0.625 CB 0.906 17 residues pruned to eliminate duplicates Z: 27 11.621 1.866 0.516 0.400 0.808 0.500 CB 1.108 27 residues pruned to eliminate duplicates Z: 8 3.270 1.558 -0.122 0.471 1.000 0.714 CB 0.931 8 residues pruned to eliminate duplicates Z: 13 6.001 1.739 0.321 0.345 0.750 0.500 CB 1.190 13 residues pruned to eliminate duplicates Z: 40 22.366 1.906 0.563 0.467 0.872 0.538 CB 1.426 40 residues pruned to eliminate duplicates Z: 13 8.895 1.787 0.308 0.345 1.000 0.583 CB 1.300 Z: 19 13.399 1.854 0.955 0.356 0.889 0.500 CA 1.146 19 residues pruned to eliminate duplicates Z: 68 31.846 2.038 0.733 0.436 0.881 0.582 CB 1.337 68 residues pruned to eliminate duplicates Z: 6 3.039 1.729 -0.046 0.681 0.800 0.800 CB 0.872 Z: 8 5.681 1.845 0.683 0.555 0.714 0.571 CB 0.918 8 residues pruned to eliminate duplicates Z: 33 16.616 1.979 0.407 0.480 0.906 0.500 CB 1.188 33 residues pruned to eliminate duplicates Z: 7 8.746 1.915 0.730 0.887 1.000 1.000 CB 0.777 7 residues pruned to eliminate duplicates Z: 7 4.317 1.761 0.021 0.857 1.000 0.667 CB 0.723 7 residues pruned to eliminate duplicates Z: 9 5.902 1.575 0.711 0.513 0.875 0.750 CB 0.873 7 residues pruned to eliminate duplicates Z: 8 9.238 1.649 0.647 0.881 1.000 1.000 CB 0.930 8 residues pruned to eliminate duplicates Z: 7 8.194 1.760 0.489 0.762 0.833 0.833 CB 1.213 Z: 48 33.466 2.110 0.721 0.422 0.915 0.553 CB 1.594 48 residues pruned to eliminate duplicates Z: 7 3.484 1.882 0.265 0.224 0.667 0.667 CB 1.238 3 residues pruned to eliminate duplicates Z: 11 20.891 2.158 1.467 0.544 0.800 0.600 CB 1.485 11 residues pruned to eliminate duplicates Z: 8 2.690 1.717 -0.057 0.468 0.714 0.571 N 0.909 8 residues pruned to eliminate duplicates Z: 50 32.917 2.180 0.958 0.427 0.816 0.510 CB 1.456 50 residues pruned to eliminate duplicates Z: 25 24.502 2.148 0.650 0.380 1.000 0.625 CA 1.604 25 residues pruned to eliminate duplicates Z: 11 10.106 1.750 0.556 0.535 0.900 0.600 CB 1.260 11 residues pruned to eliminate duplicates Z: 7 12.264 1.929 0.707 0.619 0.833 0.667 C 1.631 7 residues pruned to eliminate duplicates Z: 25 21.399 1.981 0.677 0.534 0.917 0.667 CB 1.387 25 residues pruned to eliminate duplicates Z: 8 6.997 1.663 0.559 0.862 1.000 0.857 CB 0.748 8 residues pruned to eliminate duplicates Z: 9 6.543 1.610 0.448 0.920 1.000 1.000 CB 0.699 9 residues pruned to eliminate duplicates Z: 7 6.495 1.777 0.575 0.503 0.833 0.833 CA 1.135 7 residues pruned to eliminate duplicates Z: 7 6.267 1.662 0.554 0.838 0.833 0.833 CB 0.888 7 residues pruned to eliminate duplicates Z: 14 11.813 1.760 0.738 0.490 0.846 0.538 CB 1.279 14 residues pruned to eliminate duplicates Z: 39 27.072 2.202 0.652 0.453 0.921 0.526 CB 1.376 39 residues pruned to eliminate duplicates Z: 64 41.996 2.224 0.786 0.511 0.921 0.508 CB 1.431 64 residues pruned to eliminate duplicates Z: 11 7.358 1.668 -0.035 0.490 1.000 0.600 C 1.460 17 residues pruned to eliminate duplicates Z: 42 21.878 2.040 0.622 0.404 0.854 0.415 CB 1.338 42 residues pruned to eliminate duplicates Z: 12 9.115 1.803 0.633 0.516 0.909 0.364 CB 1.010 12 residues pruned to eliminate duplicates Z: 8 4.528 1.509 0.289 0.276 1.000 0.429 CB 1.134 Z: 8 5.156 1.739 0.147 0.537 0.857 0.571 N 1.098 6 residues pruned to eliminate duplicates Z: 32 21.924 2.003 0.746 0.543 0.903 0.613 CB 1.195 34 residues pruned to eliminate duplicates Z: 14 17.542 2.140 0.765 0.456 0.923 0.538 CB 1.459 14 residues pruned to eliminate duplicates Z: 12 15.200 1.935 0.916 0.640 0.818 0.727 CB 1.325 12 residues pruned to eliminate duplicates Z: 51 34.927 2.188 0.944 0.445 0.860 0.540 CB 1.428 50 residues pruned to eliminate duplicates Z: 7 3.256 1.741 0.253 0.246 0.667 0.500 CB 1.225 7 residues pruned to eliminate duplicates Z: 31 18.018 1.907 0.503 0.522 0.933 0.667 CB 1.203 31 residues pruned to eliminate duplicates Z: 6 2.965 1.642 0.435 0.489 0.600 0.600 CA 0.949 6 residues pruned to eliminate duplicates Z: 8 14.804 1.836 0.832 0.896 1.000 1.000 CB 1.192 8 residues pruned to eliminate duplicates Z: 23 20.143 2.006 0.910 0.426 0.909 0.545 CB 1.331 23 residues pruned to eliminate duplicates Z: 18 14.026 2.143 0.663 0.408 0.706 0.471 CB 1.489 18 residues pruned to eliminate duplicates Z: 26 20.603 2.047 0.718 0.519 0.880 0.480 CB 1.307 26 residues pruned to eliminate duplicates Z: 18 19.648 2.117 0.743 0.526 0.824 0.647 CB 1.529 18 residues pruned to eliminate duplicates Z: 6 4.853 1.840 0.365 0.570 0.800 0.600 CA 1.010 6 residues pruned to eliminate duplicates Z: 15 12.981 1.792 0.696 0.523 0.857 0.571 CB 1.302 14 residues pruned to eliminate duplicates Z: 12 19.649 1.945 0.755 0.622 1.000 0.636 CB 1.547 12 residues pruned to eliminate duplicates Z: 10 9.491 1.625 0.695 0.677 1.000 0.778 CB 0.976 Z: 8 8.225 1.794 0.449 0.671 1.000 0.571 CB 1.021 8 residues pruned to eliminate duplicates Z: 14 6.773 1.624 0.242 0.234 0.923 0.385 CB 1.375 14 residues pruned to eliminate duplicates Z: 7 5.867 1.285 0.657 0.779 1.000 0.333 CB 0.880 Z: 9 9.298 1.884 0.068 0.691 1.000 0.750 CA 1.371 9 residues pruned to eliminate duplicates Z: 19 10.962 1.758 0.520 0.680 0.833 0.611 CB 0.983 20 residues pruned to eliminate duplicates Z: 9 6.731 1.771 0.167 0.729 0.875 0.750 CB 1.071 9 residues pruned to eliminate duplicates Z: 50 25.581 2.078 0.629 0.346 0.898 0.429 CB 1.421 50 residues pruned to eliminate duplicates Z: 9 7.223 1.703 0.516 0.801 1.000 0.625 CB 0.760 9 residues pruned to eliminate duplicates Z: 7 7.854 1.674 0.726 0.872 1.000 1.000 CB 0.809 7 residues pruned to eliminate duplicates Z: 18 27.389 2.372 0.837 0.586 0.824 0.647 CB 1.705 18 residues pruned to eliminate duplicates Z: 8 3.730 1.649 0.461 0.498 0.571 0.429 CB 1.026 8 residues pruned to eliminate duplicates Z: 7 6.785 1.859 0.435 0.882 1.000 1.000 CB 0.751 7 residues pruned to eliminate duplicates Z: 8 5.811 1.705 0.607 0.409 0.857 0.714 CB 1.030 8 residues pruned to eliminate duplicates Z: 8 3.009 1.250 0.461 0.274 1.000 0.714 N 0.804 8 residues pruned to eliminate duplicates Z: 16 12.715 1.949 0.729 0.560 0.800 0.600 CB 1.149 16 residues pruned to eliminate duplicates Z: 20 9.679 1.611 0.678 0.421 0.895 0.526 CB 0.997 Z: 9 8.631 1.773 0.476 0.562 1.000 0.625 CB 1.097 9 residues pruned to eliminate duplicates Z: 7 6.927 1.902 0.143 0.824 1.000 0.833 CB 0.982 7 residues pruned to eliminate duplicates Z: 8 4.198 1.636 0.463 0.377 0.714 0.571 CB 1.059 8 residues pruned to eliminate duplicates Z: 7 7.738 1.690 0.919 0.548 1.000 0.833 CB 0.930 7 residues pruned to eliminate duplicates Z: 39 28.387 2.170 0.719 0.407 0.974 0.553 CB 1.399 39 residues pruned to eliminate duplicates 6 1.962 1.274 -0.029 0.407 1.000 0.400 CB 0.782 ? Z: 9 6.393 1.673 0.566 0.478 0.875 0.500 CB 1.008 7 residues pruned to eliminate duplicates Z: 28 24.154 2.106 0.564 0.424 0.926 0.630 CA 1.651 28 residues pruned to eliminate duplicates Z: 29 23.424 2.126 0.763 0.484 0.821 0.643 CB 1.462 29 residues pruned to eliminate duplicates Z: 16 8.566 1.751 0.624 0.693 0.933 0.733 CB 0.698 18 residues pruned to eliminate duplicates Z: 75 37.703 2.178 0.717 0.457 0.892 0.432 CB 1.374 75 residues pruned to eliminate duplicates Z: 11 16.872 2.018 1.005 0.412 1.000 0.400 CB 1.446 11 residues pruned to eliminate duplicates Z: 32 19.004 1.972 0.457 0.486 0.935 0.581 CB 1.288 32 residues pruned to eliminate duplicates Z: 26 20.381 2.152 0.842 0.402 0.800 0.480 CB 1.425 26 residues pruned to eliminate duplicates Z: 7 3.189 1.653 -0.220 0.598 0.833 0.667 CB 1.103 7 residues pruned to eliminate duplicates Z: 12 11.962 1.966 0.500 0.558 0.909 0.545 CA 1.272 12 residues pruned to eliminate duplicates Z: 15 8.033 1.731 0.656 0.594 0.714 0.571 CB 0.958 15 residues pruned to eliminate duplicates Z: 16 9.202 1.718 0.634 0.590 0.800 0.600 CB 0.970 15 residues pruned to eliminate duplicates Z: 6 6.557 1.801 0.361 0.782 0.800 0.400 CB 1.167 6 residues pruned to eliminate duplicates Z: 9 5.691 1.768 0.142 0.617 0.875 0.750 CB 1.020 9 residues pruned to eliminate duplicates Z: 13 13.697 1.973 0.765 0.539 0.917 0.583 CB 1.193 13 residues pruned to eliminate duplicates Z: 7 3.954 1.674 0.453 0.383 0.667 0.333 CB 1.128 7 residues pruned to eliminate duplicates Z: 9 10.366 1.818 1.015 0.565 0.750 0.625 CB 1.252 Z: 6 4.483 1.564 -0.204 0.739 1.000 0.800 CB 1.300 6 residues pruned to eliminate duplicates Z: 37 15.621 1.775 0.663 0.450 0.861 0.583 CB 1.079 55 residues pruned to eliminate duplicates Z: 43 32.468 2.186 0.830 0.440 0.905 0.667 CB 1.473 43 residues pruned to eliminate duplicates Z: 12 4.501 1.526 0.342 0.451 0.818 0.545 CB 0.852 12 residues pruned to eliminate duplicates Z: 8 9.249 1.577 0.855 0.902 1.000 1.000 N 0.853 7 residues pruned to eliminate duplicates Z: 10 7.980 1.623 0.923 0.378 0.889 0.333 C 1.092 10 residues pruned to eliminate duplicates Z: 10 3.885 1.451 0.304 0.458 0.889 0.556 CB 0.804 8 residues pruned to eliminate duplicates Z: 6 8.594 1.940 0.296 0.746 1.000 0.800 CB 1.227 6 residues pruned to eliminate duplicates Z: 30 23.952 2.259 0.737 0.466 0.828 0.621 CB 1.418 30 residues pruned to eliminate duplicates Z: 6 8.671 1.497 1.423 0.736 0.800 0.400 N 1.081 6 residues pruned to eliminate duplicates Z: 20 14.717 2.027 0.699 0.426 0.895 0.526 CB 1.183 20 residues pruned to eliminate duplicates Z: 54 21.515 1.969 0.464 0.508 0.868 0.509 CB 1.172 54 residues pruned to eliminate duplicates Z: 28 24.566 2.080 0.785 0.520 0.926 0.519 CB 1.348 28 residues pruned to eliminate duplicates Z: 49 31.479 1.980 0.793 0.452 0.896 0.667 CB 1.500 49 residues pruned to eliminate duplicates Z: 8 6.947 1.775 0.315 0.890 1.000 0.857 CB 0.810 8 residues pruned to eliminate duplicates Z: 6 4.363 1.793 0.479 0.447 0.800 0.600 CB 0.971 6 residues pruned to eliminate duplicates Z: 15 13.436 2.033 0.680 0.431 0.857 0.643 CB 1.318 15 residues pruned to eliminate duplicates Z: 11 6.945 1.809 0.248 0.285 1.000 0.500 CB 1.238 11 residues pruned to eliminate duplicates Z: 19 20.034 2.016 0.723 0.567 0.944 0.722 CB 1.348 19 residues pruned to eliminate duplicates Z: 23 16.157 1.960 0.590 0.467 0.909 0.364 CB 1.258 23 residues pruned to eliminate duplicates Z: 12 8.683 1.752 0.241 0.675 0.909 0.909 CB 1.127 12 residues pruned to eliminate duplicates Z: 15 8.436 1.936 0.637 0.289 0.786 0.429 CB 1.147 15 residues pruned to eliminate duplicates Z: 18 9.084 1.614 0.570 0.500 0.882 0.706 CB 0.986 17 residues pruned to eliminate duplicates Z: 78 43.707 2.254 0.939 0.441 0.857 0.584 CB 1.413 78 residues pruned to eliminate duplicates Z: 26 14.557 1.921 0.865 0.325 0.880 0.400 CB 1.119 26 residues pruned to eliminate duplicates Z: 6 4.291 1.419 0.352 0.523 1.000 0.400 N 0.978 Z: 17 8.597 1.752 0.369 0.718 0.875 0.625 CB 0.841 19 residues pruned to eliminate duplicates Z: 8 3.343 1.805 -0.293 0.495 0.857 0.714 CB 1.161 11 residues pruned to eliminate duplicates Z: 6 3.788 1.368 0.549 0.451 1.000 0.600 O 0.840 6 residues pruned to eliminate duplicates Z: 14 4.912 1.615 0.474 0.284 0.769 0.231 CB 0.949 14 residues pruned to eliminate duplicates Z: 9 13.623 1.949 0.789 0.691 0.875 0.750 CB 1.325 9 residues pruned to eliminate duplicates Z: 10 12.728 1.813 0.677 0.584 1.000 0.667 CB 1.288 10 residues pruned to eliminate duplicates Z: 8 3.479 1.448 0.310 0.391 1.000 0.714 CB 0.778 Z: 28 20.611 2.129 0.645 0.427 0.852 0.519 CB 1.434 28 residues pruned to eliminate duplicates Z: 6 3.170 1.674 0.014 0.447 1.000 0.400 CB 0.883 6 residues pruned to eliminate duplicates Z: 8 6.825 1.832 1.232 0.570 0.857 0.571 CB 0.688 8 residues pruned to eliminate duplicates Z: 43 32.983 2.219 0.811 0.476 0.929 0.548 CB 1.398 43 residues pruned to eliminate duplicates Z: 8 3.206 1.458 0.965 0.372 0.714 0.429 CB 0.679 Z: 10 9.586 1.729 0.624 0.391 0.889 0.556 CB 1.437 10 residues pruned to eliminate duplicates Z: 11 6.361 1.657 0.691 0.645 1.000 0.700 CB 0.627 14 residues pruned to eliminate duplicates Z: 43 19.030 1.994 0.676 0.408 0.810 0.452 CB 1.195 43 residues pruned to eliminate duplicates Z: 13 13.712 1.923 0.669 0.419 0.917 0.667 N 1.465 13 residues pruned to eliminate duplicates Z: 25 11.996 1.939 0.227 0.493 0.792 0.583 CB 1.310 25 residues pruned to eliminate duplicates Z: 8 6.036 1.363 0.769 0.793 0.857 0.571 CB 0.854 8 residues pruned to eliminate duplicates Z: 12 6.497 1.477 0.501 0.543 0.818 0.636 CB 1.036 8 residues pruned to eliminate duplicates Z: 9 3.138 1.551 -0.041 0.474 0.875 0.500 CB 0.876 7 residues pruned to eliminate duplicates Z: 7 2.289 1.618 0.165 0.799 1.000 0.833 CB 0.382 Z: 6 6.878 1.801 0.403 0.803 1.000 0.800 CB 0.934 Z: 20 14.278 1.958 0.740 0.438 0.895 0.526 CB 1.146 20 residues pruned to eliminate duplicates Z: 22 11.960 1.868 0.743 0.243 0.810 0.524 CB 1.333 22 residues pruned to eliminate duplicates Z: 9 6.823 1.662 0.404 0.594 0.875 0.625 CB 1.080 9 residues pruned to eliminate duplicates Z: 19 16.189 1.783 0.624 0.574 0.944 0.667 CB 1.298 20 residues pruned to eliminate duplicates Z: 19 12.048 1.953 0.636 0.473 0.778 0.611 CB 1.175 19 residues pruned to eliminate duplicates Z: 6 4.791 1.606 1.109 0.663 1.000 1.000 CB 0.544 Z: 8 18.409 1.889 1.124 0.909 1.000 0.571 CB 1.231 8 residues pruned to eliminate duplicates Z: 14 3.892 1.491 -0.085 0.455 0.846 0.538 CB 0.979 Z: 7 5.050 1.670 0.258 0.514 1.000 0.667 N 0.968 Z: 7 3.686 1.419 0.661 0.386 0.667 0.333 O 1.081 Z: 13 13.906 2.056 0.713 0.457 0.917 0.667 CB 1.300 13 residues pruned to eliminate duplicates Z: 6 5.383 1.723 0.302 0.870 1.000 1.000 CB 0.783 6 residues pruned to eliminate duplicates Z: 25 23.543 1.998 0.835 0.427 0.958 0.708 CB 1.476 25 residues pruned to eliminate duplicates Z: 12 4.753 1.742 0.208 0.561 0.636 0.364 CB 1.008 12 residues pruned to eliminate duplicates Z: 6 4.782 1.333 0.525 0.680 1.000 0.600 CB 0.891 Z: 9 5.554 1.683 0.043 0.509 0.875 0.750 CB 1.267 9 residues pruned to eliminate duplicates Z: 7 3.198 1.505 0.151 0.253 0.833 0.500 C 1.200 Z: 16 6.585 1.613 0.200 0.559 0.867 0.467 CB 0.957 16 residues pruned to eliminate duplicates Z: 6 3.537 1.874 -0.271 0.627 0.800 0.400 O 1.285 Z: 15 16.829 2.011 0.656 0.449 0.929 0.786 CB 1.532 15 residues pruned to eliminate duplicates Z: 23 12.662 1.877 0.416 0.511 0.909 0.545 CB 1.105 23 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 7.643 1.874 0.435 0.648 0.875 0.875 CB 1.001 8 residues pruned to eliminate duplicates Z: 7 2.421 1.465 0.415 0.387 0.833 0.500 CB 0.645 7 residues pruned to eliminate duplicates Z: 7 6.227 1.831 0.563 0.565 0.833 0.833 CB 1.001 7 residues pruned to eliminate duplicates Z: 6 2.198 1.514 0.362 0.393 0.800 0.400 N 0.668 6 residues pruned to eliminate duplicates Z: 10 7.277 1.830 0.426 0.470 0.889 0.778 CB 1.078 8 residues pruned to eliminate duplicates Z: 6 3.018 1.270 0.619 0.245 0.800 0.200 CA 1.102 6 residues pruned to eliminate duplicates Z: 14 11.951 1.859 0.774 0.445 0.846 0.308 CB 1.258 14 residues pruned to eliminate duplicates Z: 40 18.540 1.984 0.540 0.341 0.923 0.513 CB 1.252 40 residues pruned to eliminate duplicates Z: 36 22.107 2.067 0.661 0.360 0.886 0.543 CB 1.429 36 residues pruned to eliminate duplicates Z: 13 9.824 1.876 0.677 0.386 0.750 0.667 CB 1.356 13 residues pruned to eliminate duplicates Z: 14 12.821 1.988 0.779 0.497 0.846 0.615 CB 1.192 14 residues pruned to eliminate duplicates Z: 9 10.834 2.004 0.560 0.561 0.875 0.625 CB 1.319 9 residues pruned to eliminate duplicates Z: 54 24.448 1.992 0.684 0.396 0.868 0.509 CB 1.288 54 residues pruned to eliminate duplicates Z: 24 17.438 2.007 0.584 0.424 0.957 0.565 CB 1.295 24 residues pruned to eliminate duplicates Z: 24 16.926 2.048 0.679 0.402 0.870 0.478 CB 1.308 24 residues pruned to eliminate duplicates Z: 34 19.743 2.070 0.633 0.372 0.909 0.455 CB 1.283 35 residues pruned to eliminate duplicates Z: 7 4.046 1.726 0.140 0.416 0.833 0.833 CB 1.100 7 residues pruned to eliminate duplicates Z: 27 12.874 1.984 0.330 0.316 0.923 0.615 CB 1.271 27 residues pruned to eliminate duplicates Z: 27 12.853 2.011 0.520 0.376 0.769 0.538 CB 1.224 27 residues pruned to eliminate duplicates Z: 24 16.466 1.987 0.655 0.372 0.957 0.478 CB 1.251 24 residues pruned to eliminate duplicates Z: 50 27.535 2.112 0.671 0.418 0.898 0.612 CB 1.352 50 residues pruned to eliminate duplicates Z: 18 11.266 1.971 0.384 0.258 0.882 0.647 CB 1.498 18 residues pruned to eliminate duplicates Z: 23 14.460 2.107 0.465 0.349 0.864 0.682 CB 1.361 23 residues pruned to eliminate duplicates Z: 25 12.885 1.953 0.468 0.328 0.833 0.583 CB 1.329 22 residues pruned to eliminate duplicates Z: 7 4.658 1.405 0.420 0.336 1.000 0.167 CB 1.140 7 residues pruned to eliminate duplicates Z: 11 13.242 2.050 1.007 0.318 1.000 0.500 CB 1.245 11 residues pruned to eliminate duplicates Z: 30 16.793 2.056 0.633 0.308 0.862 0.517 CB 1.333 30 residues pruned to eliminate duplicates Z: 81 38.962 2.259 0.684 0.434 0.863 0.475 CB 1.422 81 residues pruned to eliminate duplicates Z: 26 22.141 2.216 0.656 0.471 0.880 0.560 CB 1.412 26 residues pruned to eliminate duplicates Z: 25 20.484 2.096 0.712 0.420 0.875 0.500 CB 1.447 25 residues pruned to eliminate duplicates Z: 26 26.481 2.238 0.841 0.476 0.920 0.600 CB 1.432 26 residues pruned to eliminate duplicates Z: 28 23.728 2.180 0.980 0.447 0.815 0.630 CB 1.371 28 residues pruned to eliminate duplicates Z: 24 30.191 2.296 0.871 0.506 0.913 0.609 CB 1.595 24 residues pruned to eliminate duplicates Z: 58 30.376 2.097 0.772 0.408 0.842 0.509 CB 1.416 60 residues pruned to eliminate duplicates Z: 6 6.132 1.615 1.325 0.316 1.000 0.800 CB 0.895 6 residues pruned to eliminate duplicates Z: 13 18.360 2.085 0.860 0.484 0.917 0.583 CA 1.514 13 residues pruned to eliminate duplicates Z: 18 20.340 2.292 0.993 0.427 0.824 0.529 CB 1.414 18 residues pruned to eliminate duplicates Z: 14 11.424 2.079 0.915 0.319 0.923 0.385 CB 1.053 14 residues pruned to eliminate duplicates Z: 19 23.268 2.232 1.079 0.497 0.833 0.667 CB 1.422 19 residues pruned to eliminate duplicates Z: 62 41.669 2.337 0.861 0.444 0.852 0.492 CB 1.524 62 residues pruned to eliminate duplicates Z: 50 31.467 2.072 0.841 0.413 0.918 0.571 CB 1.406 51 residues pruned to eliminate duplicates Z: 7 7.378 1.766 0.629 0.495 1.000 1.000 CB 1.052 7 residues pruned to eliminate duplicates Z: 50 27.455 2.133 0.753 0.410 0.878 0.571 CB 1.314 50 residues pruned to eliminate duplicates Z: 40 28.954 2.219 0.789 0.443 0.897 0.615 CB 1.380 40 residues pruned to eliminate duplicates Z: 29 21.872 2.187 0.756 0.384 0.857 0.571 CB 1.421 29 residues pruned to eliminate duplicates Z: 13 8.062 1.963 0.363 0.221 0.917 0.333 CB 1.316 13 residues pruned to eliminate duplicates Z: 13 9.118 1.946 0.511 0.264 0.750 0.333 C 1.563 13 residues pruned to eliminate duplicates Z: 10 7.433 2.116 0.775 0.252 0.778 0.444 CB 1.128 10 residues pruned to eliminate duplicates Z: 36 28.132 2.244 0.835 0.391 0.857 0.543 CB 1.512 36 residues pruned to eliminate duplicates Z: 48 27.897 2.247 0.735 0.422 0.809 0.489 CB 1.401 48 residues pruned to eliminate duplicates Z: 68 42.161 2.254 0.815 0.443 0.910 0.567 CB 1.466 68 residues pruned to eliminate duplicates Z: 60 39.524 2.239 0.884 0.488 0.847 0.492 CB 1.457 60 residues pruned to eliminate duplicates Z: 98 42.711 2.196 0.768 0.453 0.866 0.526 CB 1.353 98 residues pruned to eliminate duplicates Z: 46 32.271 2.287 0.714 0.458 0.889 0.489 CB 1.442 46 residues pruned to eliminate duplicates Z: 74 39.814 2.200 0.862 0.469 0.849 0.521 CB 1.382 74 residues pruned to eliminate duplicates Z: 18 18.764 2.179 0.924 0.481 0.824 0.529 CB 1.343 18 residues pruned to eliminate duplicates Z: 62 42.470 2.262 0.858 0.475 0.836 0.508 CB 1.587 62 residues pruned to eliminate duplicates Z: 85 44.533 2.233 0.874 0.430 0.821 0.500 CB 1.519 85 residues pruned to eliminate duplicates Z: 34 28.152 2.294 0.767 0.442 0.879 0.515 CB 1.461 34 residues pruned to eliminate duplicates Z: 77 41.318 2.254 0.748 0.458 0.855 0.487 CB 1.468 77 residues pruned to eliminate duplicates Z: 36 32.350 2.196 0.899 0.475 0.914 0.543 CB 1.471 36 residues pruned to eliminate duplicates Z: 50 29.731 2.228 0.737 0.452 0.796 0.490 CB 1.449 50 residues pruned to eliminate duplicates Z: 20 18.765 2.070 0.757 0.410 0.895 0.526 CB 1.454 20 residues pruned to eliminate duplicates Z: 65 41.073 2.306 0.904 0.445 0.797 0.594 CB 1.552 65 residues pruned to eliminate duplicates Z: 51 29.974 2.296 0.768 0.395 0.800 0.500 CB 1.457 51 residues pruned to eliminate duplicates Z: 49 44.920 2.302 0.959 0.477 0.896 0.562 CB 1.642 49 residues pruned to eliminate duplicates Z: 48 36.038 2.262 0.878 0.459 0.851 0.532 CB 1.516 48 residues pruned to eliminate duplicates Z: 32 40.921 2.324 1.097 0.522 0.903 0.645 CB 1.634 32 residues pruned to eliminate duplicates Z: 69 37.379 2.256 0.739 0.426 0.853 0.471 CB 1.463 69 residues pruned to eliminate duplicates Z: 59 37.053 2.183 0.737 0.508 0.897 0.603 CB 1.419 59 residues pruned to eliminate duplicates Z: 24 25.698 2.253 0.708 0.467 0.913 0.478 CB 1.576 24 residues pruned to eliminate duplicates Z: 48 41.865 2.295 0.857 0.507 0.936 0.532 CB 1.520 48 residues pruned to eliminate duplicates Z: 59 36.842 2.238 0.882 0.459 0.845 0.483 CB 1.418 59 residues pruned to eliminate duplicates Z: 60 44.678 2.273 0.903 0.460 0.915 0.525 CB 1.530 60 residues pruned to eliminate duplicates Z: 49 39.500 2.268 0.916 0.500 0.854 0.625 CB 1.536 49 residues pruned to eliminate duplicates Z: 66 42.705 2.230 0.815 0.526 0.923 0.554 CB 1.381 66 residues pruned to eliminate duplicates Z: 49 38.092 2.266 0.893 0.501 0.854 0.521 CB 1.498 49 residues pruned to eliminate duplicates Z: 62 42.554 2.238 0.948 0.453 0.852 0.541 CB 1.538 62 residues pruned to eliminate duplicates Z: 63 35.660 2.206 0.695 0.498 0.887 0.516 CB 1.368 64 residues pruned to eliminate duplicates Z: 9 6.727 1.614 0.615 0.387 1.000 0.375 CA 1.028 9 residues pruned to eliminate duplicates Z: 35 38.613 2.285 0.971 0.540 0.882 0.588 CB 1.602 35 residues pruned to eliminate duplicates Z: 50 35.728 2.230 0.838 0.453 0.878 0.551 CB 1.488 50 residues pruned to eliminate duplicates Z: 36 33.517 2.267 0.796 0.495 0.943 0.543 CB 1.483 36 residues pruned to eliminate duplicates Z: 62 41.698 2.232 0.901 0.459 0.869 0.541 CB 1.510 78 residues pruned to eliminate duplicates Z: 8 6.603 1.825 0.403 0.337 0.857 0.571 CB 1.359 8 residues pruned to eliminate duplicates Z: 47 40.145 2.277 0.973 0.475 0.891 0.630 CB 1.517 47 residues pruned to eliminate duplicates Z: 66 47.562 2.220 0.882 0.542 0.923 0.585 CB 1.467 49 residues pruned to eliminate duplicates Z: 6 8.302 2.139 0.616 0.286 1.000 0.600 CB 1.367 6 residues pruned to eliminate duplicates Z: 65 40.791 2.226 0.842 0.488 0.891 0.484 CB 1.413 65 residues pruned to eliminate duplicates Z: 70 41.492 2.248 0.886 0.442 0.855 0.507 CB 1.462 70 residues pruned to eliminate duplicates Z: 18 13.123 2.078 0.687 0.393 0.882 0.529 CB 1.152 18 residues pruned to eliminate duplicates Z: 49 42.339 2.275 0.981 0.482 0.896 0.542 CB 1.542 49 residues pruned to eliminate duplicates Z: 47 29.978 2.208 0.784 0.413 0.870 0.565 CB 1.414 47 residues pruned to eliminate duplicates Z: 60 36.932 2.211 0.797 0.443 0.864 0.390 CB 1.486 60 residues pruned to eliminate duplicates Z: 20 19.280 2.059 0.786 0.450 0.947 0.526 CB 1.336 20 residues pruned to eliminate duplicates Z: 51 38.212 2.224 0.973 0.407 0.880 0.500 CB 1.544 51 residues pruned to eliminate duplicates Z: 26 29.325 2.217 1.076 0.443 0.920 0.440 CB 1.469 26 residues pruned to eliminate duplicates Z: 49 37.527 2.274 0.907 0.450 0.833 0.479 CB 1.577 49 residues pruned to eliminate duplicates Z: 38 18.367 2.061 0.513 0.468 0.838 0.514 CB 1.193 38 residues pruned to eliminate duplicates Z: 83 42.189 2.157 0.905 0.448 0.866 0.561 CB 1.381 83 residues pruned to eliminate duplicates Z: 44 35.780 2.140 0.986 0.536 0.907 0.488 CB 1.366 44 residues pruned to eliminate duplicates Z: 9 7.714 1.780 0.962 0.496 0.625 0.500 CA 1.254 9 residues pruned to eliminate duplicates Z: 11 8.069 1.998 0.536 0.402 0.800 0.200 CA 1.152 11 residues pruned to eliminate duplicates Z: 18 11.895 1.927 0.446 0.624 0.824 0.647 CB 1.118 18 residues pruned to eliminate duplicates Z: 14 6.752 1.883 0.491 0.423 0.769 0.462 CB 0.940 14 residues pruned to eliminate duplicates Z: 8 8.094 2.123 0.409 0.561 0.857 0.429 CB 1.124 8 residues pruned to eliminate duplicates Z: 19 14.660 1.931 0.525 0.594 0.944 0.556 CB 1.136 19 residues pruned to eliminate duplicates Z: 66 42.777 2.170 0.903 0.524 0.908 0.646 CB 1.382 66 residues pruned to eliminate duplicates Z: 77 42.145 2.214 0.866 0.479 0.882 0.526 CB 1.356 77 residues pruned to eliminate duplicates Z: 20 13.751 1.858 0.629 0.601 0.842 0.632 CB 1.124 20 residues pruned to eliminate duplicates Z: 12 8.434 1.842 0.465 0.694 0.818 0.727 CB 0.965 12 residues pruned to eliminate duplicates Z: 17 15.231 2.017 0.682 0.681 0.875 0.625 CB 1.086 17 residues pruned to eliminate duplicates Z: 10 13.610 1.912 0.531 0.802 1.000 0.778 CB 1.190 10 residues pruned to eliminate duplicates Z: 19 13.515 1.896 0.663 0.576 0.833 0.500 CB 1.127 19 residues pruned to eliminate duplicates Z: 20 13.001 1.881 0.450 0.618 0.895 0.526 CB 1.093 20 residues pruned to eliminate duplicates Z: 12 7.952 1.963 0.313 0.701 0.818 0.455 CB 0.947 12 residues pruned to eliminate duplicates Z: 12 14.905 1.877 0.673 0.731 1.000 0.455 CB 1.163 12 residues pruned to eliminate duplicates Z: 8 15.573 1.905 0.893 0.878 1.000 0.714 CB 1.184 8 residues pruned to eliminate duplicates Z: 29 23.094 2.067 0.647 0.384 0.929 0.571 CA 1.561 29 residues pruned to eliminate duplicates Z: 22 13.849 1.841 0.683 0.413 0.810 0.524 CB 1.321 22 residues pruned to eliminate duplicates Z: 39 24.952 1.957 0.654 0.409 0.921 0.579 CA 1.493 40 residues pruned to eliminate duplicates Z: 6 4.899 1.608 0.517 0.425 1.000 1.000 CA 0.972 6 residues pruned to eliminate duplicates Z: 41 19.592 1.877 0.565 0.436 0.850 0.575 CB 1.326 41 residues pruned to eliminate duplicates Z: 26 24.393 2.160 0.720 0.394 0.880 0.640 CA 1.670 26 residues pruned to eliminate duplicates Z: 28 24.364 2.083 0.809 0.367 0.926 0.630 CA 1.550 28 residues pruned to eliminate duplicates Z: 28 25.775 2.125 0.699 0.361 0.963 0.667 CA 1.658 28 residues pruned to eliminate duplicates Z: 38 24.574 1.940 0.647 0.428 0.946 0.595 CB 1.441 38 residues pruned to eliminate duplicates Z: 29 23.604 2.080 0.702 0.345 0.964 0.536 CA 1.546 29 residues pruned to eliminate duplicates Z: 35 25.719 2.050 0.741 0.426 0.882 0.529 CB 1.513 35 residues pruned to eliminate duplicates Z: 37 24.254 1.982 0.643 0.406 0.917 0.611 CB 1.494 37 residues pruned to eliminate duplicates Z: 40 23.428 1.893 0.639 0.475 0.923 0.641 CB 1.343 40 residues pruned to eliminate duplicates Z: 25 23.216 2.100 0.639 0.420 0.958 0.750 CA 1.562 25 residues pruned to eliminate duplicates Z: 24 23.990 2.136 0.642 0.398 1.000 0.696 CA 1.588 24 residues pruned to eliminate duplicates Z: 46 26.756 1.980 0.682 0.464 0.867 0.578 CB 1.433 46 residues pruned to eliminate duplicates Z: 26 16.332 2.049 0.545 0.348 0.760 0.520 CA 1.602 26 residues pruned to eliminate duplicates Z: 28 22.975 2.063 0.744 0.325 0.926 0.593 CB 1.608 28 residues pruned to eliminate duplicates Z: 38 25.925 1.986 0.676 0.431 0.919 0.622 CB 1.497 38 residues pruned to eliminate duplicates Z: 15 12.401 2.042 0.417 0.426 0.857 0.500 CA 1.443 15 residues pruned to eliminate duplicates Z: 23 21.317 2.050 0.881 0.350 0.909 0.636 CA 1.526 23 residues pruned to eliminate duplicates Z: 29 21.718 2.063 0.692 0.362 0.893 0.536 CA 1.529 29 residues pruned to eliminate duplicates Z: 16 10.835 1.989 0.411 0.413 0.733 0.400 CA 1.490 16 residues pruned to eliminate duplicates Z: 11 11.186 1.973 0.462 0.511 1.000 0.400 CB 1.213 11 residues pruned to eliminate duplicates Z: 17 20.357 2.052 0.879 0.544 1.000 0.688 CB 1.265 17 residues pruned to eliminate duplicates Z: 8 13.994 2.137 0.909 0.600 1.000 0.571 CB 1.179 8 residues pruned to eliminate duplicates Z: 10 10.075 2.034 0.803 0.571 0.889 0.444 CB 0.962 10 residues pruned to eliminate duplicates Z: 18 18.098 2.019 0.577 0.550 0.941 0.706 CB 1.395 18 residues pruned to eliminate duplicates Z: 19 20.292 2.024 0.679 0.538 1.000 0.500 CB 1.355 19 residues pruned to eliminate duplicates Z: 18 19.800 2.070 0.685 0.588 0.941 0.529 CB 1.344 18 residues pruned to eliminate duplicates Z: 6 3.808 1.516 0.394 0.466 1.000 0.400 CA 0.834 12 residues pruned to eliminate duplicates Z: 6 3.342 1.514 0.581 0.490 0.800 0.600 CB 0.788 6 residues pruned to eliminate duplicates Z: 13 8.692 1.783 0.483 0.626 0.833 0.500 CB 1.011 12 residues pruned to eliminate duplicates Z: 12 7.242 1.590 0.340 0.706 1.000 0.727 CB 0.850 12 residues pruned to eliminate duplicates Z: 23 10.965 1.665 0.637 0.577 0.909 0.682 CB 0.876 23 residues pruned to eliminate duplicates Z: 12 8.134 1.634 0.507 0.773 0.909 0.818 CB 0.861 12 residues pruned to eliminate duplicates Z: 14 7.427 1.776 0.577 0.676 0.923 0.538 CB 0.677 14 residues pruned to eliminate duplicates Z: 19 8.929 1.747 0.532 0.624 0.889 0.778 CB 0.787 19 residues pruned to eliminate duplicates Z: 57 30.195 1.926 0.809 0.462 0.893 0.643 CB 1.348 77 residues pruned to eliminate duplicates Z: 17 11.246 1.772 0.512 0.772 0.938 0.812 CB 0.880 Z: 8 10.591 1.651 0.892 0.895 1.000 0.857 CB 0.919 7 residues pruned to eliminate duplicates Z: 8 9.993 1.702 0.642 0.871 1.000 1.000 CB 0.986 8 residues pruned to eliminate duplicates Z: 53 35.185 2.292 0.800 0.444 0.885 0.538 CB 1.415 53 residues pruned to eliminate duplicates Z: 29 30.959 2.381 0.776 0.468 0.893 0.571 CB 1.602 29 residues pruned to eliminate duplicates Z: 41 25.375 2.193 0.733 0.428 0.775 0.500 CB 1.468 41 residues pruned to eliminate duplicates Z: 48 25.217 2.160 0.626 0.419 0.809 0.426 CB 1.410 48 residues pruned to eliminate duplicates Z: 30 35.327 2.367 0.925 0.536 0.897 0.655 CB 1.550 30 residues pruned to eliminate duplicates Z: 30 27.440 2.268 0.828 0.480 0.828 0.586 CB 1.516 30 residues pruned to eliminate duplicates Z: 62 30.920 2.208 0.685 0.405 0.885 0.492 CB 1.329 62 residues pruned to eliminate duplicates Z: 15 28.479 2.350 0.817 0.589 1.000 0.500 CB 1.637 15 residues pruned to eliminate duplicates Z: 10 13.762 2.209 1.052 0.374 0.667 0.222 CA 1.737 10 residues pruned to eliminate duplicates Z: 28 29.880 2.306 0.802 0.525 0.926 0.519 CB 1.458 28 residues pruned to eliminate duplicates Z: 41 31.512 2.275 0.874 0.432 0.875 0.575 CB 1.433 41 residues pruned to eliminate duplicates Z: 47 29.272 2.165 0.728 0.474 0.891 0.543 CB 1.329 47 residues pruned to eliminate duplicates Z: 44 36.267 2.282 0.722 0.517 0.953 0.605 CB 1.452 44 residues pruned to eliminate duplicates Z: 48 34.663 2.203 0.753 0.462 0.915 0.596 CB 1.488 48 residues pruned to eliminate duplicates Z: 27 27.787 2.266 0.817 0.503 0.923 0.538 CB 1.430 27 residues pruned to eliminate duplicates Z: 18 18.476 2.235 0.799 0.479 0.882 0.647 CB 1.290 18 residues pruned to eliminate duplicates Z: 10 13.322 2.140 0.695 0.452 1.000 0.889 CB 1.285 10 residues pruned to eliminate duplicates Z: 24 22.012 2.184 0.813 0.477 0.913 0.522 CB 1.299 24 residues pruned to eliminate duplicates Z: 46 31.635 2.163 0.709 0.531 0.911 0.467 CB 1.358 46 residues pruned to eliminate duplicates Z: 10 11.509 2.109 0.854 0.442 0.778 0.778 CB 1.340 10 residues pruned to eliminate duplicates Z: 28 29.639 2.246 0.954 0.527 0.889 0.630 CB 1.423 28 residues pruned to eliminate duplicates Z: 28 28.742 2.209 0.878 0.503 0.926 0.667 CB 1.436 28 residues pruned to eliminate duplicates Z: 36 20.532 2.065 0.779 0.383 0.771 0.514 CB 1.388 36 residues pruned to eliminate duplicates Z: 93 39.297 2.173 0.698 0.487 0.826 0.533 CB 1.362 93 residues pruned to eliminate duplicates Z: 42 29.412 2.261 0.846 0.397 0.805 0.439 CB 1.524 23 residues pruned to eliminate duplicates Z: 7 5.867 1.553 0.946 0.317 0.833 0.333 CA 1.165 7 residues pruned to eliminate duplicates Z: 17 15.335 2.047 0.874 0.386 0.750 0.500 CB 1.504 17 residues pruned to eliminate duplicates Z: 32 33.553 2.238 1.042 0.477 0.903 0.548 CB 1.494 32 residues pruned to eliminate duplicates Z: 22 28.758 2.239 1.073 0.517 0.857 0.524 CB 1.551 22 residues pruned to eliminate duplicates Z: 29 20.893 2.143 0.849 0.440 0.857 0.500 CB 1.236 29 residues pruned to eliminate duplicates Z: 67 40.071 2.280 0.864 0.430 0.848 0.515 CB 1.471 67 residues pruned to eliminate duplicates Z: 32 36.664 2.192 1.182 0.538 0.903 0.613 CB 1.469 32 residues pruned to eliminate duplicates Z: 13 14.220 2.184 0.645 0.443 0.917 0.500 CB 1.322 13 residues pruned to eliminate duplicates Z: 15 13.116 2.066 0.680 0.387 0.857 0.357 CA 1.328 15 residues pruned to eliminate duplicates Z: 11 15.334 2.301 0.936 0.472 0.800 0.400 CB 1.400 11 residues pruned to eliminate duplicates Z: 65 37.495 2.233 0.825 0.480 0.828 0.562 CB 1.416 65 residues pruned to eliminate duplicates Z: 28 23.007 2.226 0.904 0.417 0.778 0.444 CB 1.465 28 residues pruned to eliminate duplicates Z: 73 34.582 2.232 0.759 0.442 0.861 0.528 CB 1.280 73 residues pruned to eliminate duplicates Z: 32 30.789 2.168 1.046 0.468 0.839 0.613 CB 1.536 32 residues pruned to eliminate duplicates Z: 21 27.922 2.227 1.011 0.455 0.950 0.600 CB 1.536 21 residues pruned to eliminate duplicates Z: 16 19.841 2.093 0.869 0.451 0.867 0.533 CB 1.589 16 residues pruned to eliminate duplicates Z: 84 43.672 2.178 0.838 0.498 0.880 0.554 CB 1.365 84 residues pruned to eliminate duplicates Z: 62 41.008 2.234 0.927 0.485 0.869 0.574 CB 1.425 62 residues pruned to eliminate duplicates Z: 64 38.759 2.212 0.817 0.471 0.841 0.508 CB 1.487 64 residues pruned to eliminate duplicates Z: 33 28.082 2.175 1.021 0.440 0.844 0.531 CB 1.424 33 residues pruned to eliminate duplicates Z: 67 38.189 2.222 0.836 0.463 0.818 0.485 CB 1.462 67 residues pruned to eliminate duplicates Z: 52 29.530 2.256 0.780 0.469 0.843 0.471 CB 1.261 52 residues pruned to eliminate duplicates Z: 88 35.803 2.189 0.703 0.471 0.839 0.552 CB 1.264 88 residues pruned to eliminate duplicates Z: 36 31.849 2.201 1.040 0.479 0.886 0.543 CB 1.382 36 residues pruned to eliminate duplicates Z: 53 30.736 2.225 0.760 0.399 0.827 0.538 CB 1.464 53 residues pruned to eliminate duplicates Z: 34 27.288 2.329 0.728 0.471 0.848 0.485 CB 1.432 34 residues pruned to eliminate duplicates Z: 17 13.517 2.225 0.655 0.383 0.750 0.375 CB 1.385 17 residues pruned to eliminate duplicates Z: 33 30.828 2.352 0.736 0.477 0.906 0.500 CB 1.507 33 residues pruned to eliminate duplicates Z: 26 26.346 2.225 0.980 0.431 0.800 0.640 CB 1.607 26 residues pruned to eliminate duplicates Z: 53 27.209 2.264 0.702 0.421 0.769 0.481 CB 1.382 53 residues pruned to eliminate duplicates Z: 30 33.308 2.368 0.815 0.496 0.897 0.552 CB 1.611 30 residues pruned to eliminate duplicates Z: 57 25.428 2.168 0.453 0.418 0.857 0.464 CB 1.371 57 residues pruned to eliminate duplicates Z: 44 23.580 2.193 0.762 0.372 0.791 0.465 CB 1.351 44 residues pruned to eliminate duplicates Z: 40 32.142 2.267 0.763 0.473 0.872 0.462 CB 1.518 40 residues pruned to eliminate duplicates Z: 16 9.248 1.964 0.594 0.341 0.733 0.467 CB 1.236 16 residues pruned to eliminate duplicates Z: 47 22.604 2.155 0.526 0.427 0.848 0.522 CB 1.290 47 residues pruned to eliminate duplicates Z: 71 36.147 2.222 0.717 0.403 0.900 0.600 CB 1.393 71 residues pruned to eliminate duplicates Z: 33 24.435 2.235 0.653 0.405 0.875 0.406 CB 1.477 33 residues pruned to eliminate duplicates Z: 40 26.602 2.250 0.654 0.420 0.821 0.590 CB 1.516 40 residues pruned to eliminate duplicates Z: 14 11.765 2.240 0.318 0.358 0.846 0.385 CB 1.522 14 residues pruned to eliminate duplicates Z: 13 5.992 2.041 0.365 0.173 0.750 0.250 CB 1.231 13 residues pruned to eliminate duplicates Z: 16 8.601 1.918 0.377 0.392 0.867 0.467 CB 1.087 16 residues pruned to eliminate duplicates Z: 84 35.607 2.013 0.619 0.433 0.904 0.518 CB 1.423 84 residues pruned to eliminate duplicates Z: 15 11.366 1.878 0.475 0.531 0.786 0.643 CA 1.354 15 residues pruned to eliminate duplicates Z: 7 6.062 1.846 0.081 0.555 0.833 0.833 CB 1.409 7 residues pruned to eliminate duplicates Z: 23 15.583 1.954 0.574 0.463 0.818 0.545 CB 1.372 23 residues pruned to eliminate duplicates Z: 59 33.335 2.090 0.630 0.407 0.914 0.534 CB 1.549 59 residues pruned to eliminate duplicates Z: 38 25.880 2.055 0.716 0.369 0.919 0.568 CB 1.509 38 residues pruned to eliminate duplicates Z: 15 11.351 1.869 0.698 0.466 0.786 0.357 CA 1.260 15 residues pruned to eliminate duplicates Z: 25 18.784 1.922 0.863 0.432 0.792 0.625 CB 1.452 25 residues pruned to eliminate duplicates Z: 63 35.513 2.081 0.771 0.411 0.903 0.581 CB 1.487 63 residues pruned to eliminate duplicates Z: 60 36.428 2.069 0.765 0.442 0.881 0.475 CB 1.565 60 residues pruned to eliminate duplicates Z: 67 35.916 2.094 0.743 0.451 0.848 0.530 CB 1.502 67 residues pruned to eliminate duplicates Z: 37 30.645 2.033 0.756 0.455 0.944 0.639 CA 1.586 37 residues pruned to eliminate duplicates Z: 11 6.714 1.571 0.867 0.479 0.900 0.400 CB 0.822 11 residues pruned to eliminate duplicates Z: 73 31.860 2.044 0.660 0.405 0.861 0.528 CB 1.420 73 residues pruned to eliminate duplicates Z: 26 23.054 2.093 0.645 0.401 0.920 0.600 CB 1.615 26 residues pruned to eliminate duplicates Z: 45 29.562 2.045 0.737 0.441 0.886 0.682 CB 1.504 45 residues pruned to eliminate duplicates Z: 39 27.082 2.083 0.658 0.397 0.895 0.553 CA 1.586 39 residues pruned to eliminate duplicates Z: 40 26.732 2.023 0.656 0.405 0.923 0.718 CB 1.529 40 residues pruned to eliminate duplicates Z: 45 25.061 2.023 0.612 0.419 0.886 0.614 CB 1.423 45 residues pruned to eliminate duplicates Z: 40 26.044 2.003 0.681 0.435 0.872 0.667 CB 1.520 40 residues pruned to eliminate duplicates Z: 48 30.131 2.097 0.733 0.393 0.894 0.617 CB 1.515 48 residues pruned to eliminate duplicates Z: 15 23.595 2.124 0.639 0.615 0.929 0.643 CA 1.749 15 residues pruned to eliminate duplicates Z: 16 14.217 2.030 0.475 0.462 0.867 0.600 CA 1.471 16 residues pruned to eliminate duplicates Z: 38 23.526 2.009 0.581 0.395 0.892 0.514 CB 1.526 38 residues pruned to eliminate duplicates Z: 38 22.843 2.015 0.612 0.349 0.892 0.622 CB 1.526 38 residues pruned to eliminate duplicates Z: 41 24.589 2.053 0.506 0.416 0.875 0.625 CB 1.569 41 residues pruned to eliminate duplicates Z: 60 38.525 2.092 0.797 0.457 0.915 0.610 CB 1.523 60 residues pruned to eliminate duplicates Z: 15 18.216 2.063 0.798 0.485 0.857 0.643 CA 1.555 15 residues pruned to eliminate duplicates Z: 33 31.899 2.155 0.924 0.477 0.906 0.531 CB 1.536 33 residues pruned to eliminate duplicates Z: 67 28.047 1.986 0.636 0.416 0.864 0.561 CB 1.342 67 residues pruned to eliminate duplicates Z: 43 29.839 2.005 0.843 0.459 0.881 0.595 CA 1.476 43 residues pruned to eliminate duplicates Z: 60 41.319 2.133 0.873 0.452 0.915 0.593 CB 1.546 60 residues pruned to eliminate duplicates Z: 51 33.939 2.060 0.868 0.419 0.880 0.560 CB 1.542 51 residues pruned to eliminate duplicates Z: 56 33.492 2.117 0.751 0.421 0.873 0.545 CB 1.516 56 residues pruned to eliminate duplicates Z: 62 33.693 2.045 0.817 0.421 0.869 0.459 CB 1.451 62 residues pruned to eliminate duplicates Z: 84 37.831 2.089 0.704 0.437 0.904 0.554 CB 1.378 84 residues pruned to eliminate duplicates Z: 66 38.992 2.081 0.738 0.456 0.923 0.615 CB 1.515 66 residues pruned to eliminate duplicates Z: 66 33.549 2.051 0.677 0.405 0.923 0.523 CB 1.447 66 residues pruned to eliminate duplicates Z: 33 32.231 2.153 0.974 0.471 0.906 0.562 CB 1.524 33 residues pruned to eliminate duplicates Z: 20 18.326 2.113 1.040 0.376 0.895 0.474 CB 1.244 20 residues pruned to eliminate duplicates Z: 61 32.885 2.003 0.708 0.404 0.917 0.550 CB 1.498 61 residues pruned to eliminate duplicates Z: 31 28.799 2.132 0.843 0.497 0.933 0.533 CB 1.439 31 residues pruned to eliminate duplicates Z: 51 29.574 2.007 0.744 0.482 0.900 0.620 CB 1.353 51 residues pruned to eliminate duplicates Z: 20 16.370 2.060 0.789 0.407 0.895 0.368 CB 1.256 20 residues pruned to eliminate duplicates Z: 84 35.443 2.055 0.645 0.456 0.855 0.554 CB 1.407 84 residues pruned to eliminate duplicates Z: 28 21.872 2.047 0.893 0.449 0.852 0.630 CB 1.344 28 residues pruned to eliminate duplicates Z: 51 28.861 2.058 0.893 0.424 0.820 0.620 CB 1.383 51 residues pruned to eliminate duplicates Z: 37 20.700 1.972 0.647 0.449 0.889 0.556 CB 1.259 37 residues pruned to eliminate duplicates Z: 52 25.166 2.075 0.649 0.443 0.863 0.510 CB 1.266 52 residues pruned to eliminate duplicates Z: 83 34.274 1.990 0.611 0.431 0.902 0.524 CB 1.406 83 residues pruned to eliminate duplicates Z: 41 22.898 2.077 0.626 0.499 0.850 0.650 CB 1.263 41 residues pruned to eliminate duplicates Z: 96 33.149 2.000 0.581 0.425 0.874 0.505 CB 1.330 96 residues pruned to eliminate duplicates Z: 75 36.533 2.060 0.660 0.435 0.919 0.581 CB 1.445 75 residues pruned to eliminate duplicates Z: 67 32.040 2.014 0.846 0.430 0.818 0.621 CB 1.395 67 residues pruned to eliminate duplicates Z: 78 34.486 2.014 0.649 0.466 0.883 0.571 CB 1.387 78 residues pruned to eliminate duplicates Z: 56 31.774 2.089 0.776 0.451 0.855 0.600 CB 1.421 56 residues pruned to eliminate duplicates Z: 93 35.755 2.047 0.649 0.442 0.837 0.565 CB 1.400 93 residues pruned to eliminate duplicates Z: 28 16.191 2.023 0.495 0.476 0.889 0.630 CB 1.188 28 residues pruned to eliminate duplicates Z: 16 10.429 1.861 0.594 0.476 0.800 0.600 CB 1.162 16 residues pruned to eliminate duplicates Z: 65 26.649 2.011 0.605 0.379 0.859 0.531 CB 1.367 65 residues pruned to eliminate duplicates Z: 17 11.732 1.874 0.552 0.460 0.812 0.562 CB 1.293 17 residues pruned to eliminate duplicates Z: 64 35.176 2.118 0.688 0.484 0.921 0.508 CB 1.368 64 residues pruned to eliminate duplicates Z: 33 18.363 2.023 0.506 0.496 0.906 0.500 CB 1.181 33 residues pruned to eliminate duplicates Z: 19 12.148 1.904 0.562 0.445 0.889 0.556 CB 1.147 19 residues pruned to eliminate duplicates Z: 55 22.629 2.013 0.585 0.455 0.796 0.481 CB 1.269 26 residues pruned to eliminate duplicates 6 1.722 1.229 0.532 0.296 1.000 0.600 CA 0.514 ? Z: 6 5.225 1.686 0.598 0.479 0.800 0.600 CB 1.108 6 residues pruned to eliminate duplicates Z: 14 13.895 1.952 0.514 0.546 0.923 0.692 CB 1.351 14 residues pruned to eliminate duplicates Z: 16 14.350 1.878 0.584 0.530 0.933 0.600 CB 1.296 16 residues pruned to eliminate duplicates Z: 24 16.323 2.024 0.444 0.562 0.870 0.565 CB 1.261 24 residues pruned to eliminate duplicates Z: 18 19.383 2.143 0.532 0.529 1.000 0.706 CB 1.392 18 residues pruned to eliminate duplicates Z: 17 12.064 2.037 0.307 0.530 0.875 0.750 CB 1.257 17 residues pruned to eliminate duplicates Z: 66 34.379 2.105 0.739 0.480 0.862 0.585 CB 1.380 66 residues pruned to eliminate duplicates Z: 30 19.857 2.037 0.724 0.540 0.862 0.690 CB 1.171 30 residues pruned to eliminate duplicates Z: 15 15.777 2.080 0.609 0.552 0.929 0.571 CB 1.290 15 residues pruned to eliminate duplicates Z: 17 16.766 2.106 0.619 0.596 0.812 0.625 CB 1.381 17 residues pruned to eliminate duplicates Z: 10 16.594 2.175 0.570 0.635 1.000 0.778 CB 1.428 10 residues pruned to eliminate duplicates Z: 13 15.321 1.918 0.687 0.487 0.917 0.583 CA 1.510 13 residues pruned to eliminate duplicates Z: 12 10.102 1.944 0.383 0.497 0.818 0.455 CA 1.389 12 residues pruned to eliminate duplicates 6 1.354 1.354 0.481 0.100 0.600 0.200 CB 0.839 ? Z: 22 12.805 1.856 0.323 0.503 0.857 0.476 CB 1.323 22 residues pruned to eliminate duplicates Z: 21 12.340 1.919 0.327 0.453 0.850 0.350 CB 1.337 21 residues pruned to eliminate duplicates Z: 50 22.485 1.961 0.484 0.459 0.918 0.347 CB 1.253 50 residues pruned to eliminate duplicates Z: 51 24.489 1.932 0.505 0.487 0.940 0.460 CB 1.283 51 residues pruned to eliminate duplicates Z: 27 17.045 1.994 0.425 0.501 0.923 0.500 CB 1.273 27 residues pruned to eliminate duplicates Z: 9 6.788 1.901 0.111 0.539 0.875 0.625 CA 1.249 9 residues pruned to eliminate duplicates Z: 14 9.353 1.751 0.401 0.436 0.923 0.615 CA 1.225 14 residues pruned to eliminate duplicates Z: 26 17.484 2.059 0.461 0.512 0.920 0.480 CB 1.248 26 residues pruned to eliminate duplicates Z: 14 9.765 1.866 0.394 0.444 0.923 0.769 CB 1.194 14 residues pruned to eliminate duplicates Z: 17 15.315 2.036 0.459 0.614 0.875 0.625 CB 1.321 17 residues pruned to eliminate duplicates Z: 53 24.279 1.958 0.676 0.476 0.827 0.500 CB 1.271 53 residues pruned to eliminate duplicates Z: 32 17.340 1.963 0.530 0.459 0.903 0.452 CB 1.197 32 residues pruned to eliminate duplicates Z: 26 18.476 2.005 0.521 0.530 1.000 0.520 CB 1.177 26 residues pruned to eliminate duplicates Z: 26 18.829 2.013 0.661 0.523 0.920 0.560 CB 1.196 26 residues pruned to eliminate duplicates Z: 26 19.298 2.047 0.520 0.526 0.960 0.480 CB 1.260 26 residues pruned to eliminate duplicates Z: 29 19.563 1.971 0.621 0.507 0.929 0.571 CB 1.237 29 residues pruned to eliminate duplicates Z: 50 23.312 1.985 0.572 0.481 0.878 0.469 CB 1.240 50 residues pruned to eliminate duplicates Z: 28 19.474 1.994 0.536 0.518 0.963 0.444 CB 1.249 28 residues pruned to eliminate duplicates Z: 30 20.060 1.996 0.621 0.552 0.931 0.655 CB 1.176 30 residues pruned to eliminate duplicates Z: 31 19.672 1.924 0.524 0.506 1.000 0.600 CB 1.218 31 residues pruned to eliminate duplicates Z: 29 18.414 1.878 0.658 0.463 0.929 0.393 CB 1.249 29 residues pruned to eliminate duplicates Z: 60 26.681 1.939 0.596 0.561 0.864 0.559 CB 1.224 60 residues pruned to eliminate duplicates Z: 49 25.594 1.969 0.690 0.489 0.875 0.458 CB 1.283 49 residues pruned to eliminate duplicates Z: 39 18.409 1.893 0.683 0.472 0.921 0.368 CB 1.047 47 residues pruned to eliminate duplicates Z: 31 18.958 1.996 0.558 0.528 0.900 0.500 CB 1.203 31 residues pruned to eliminate duplicates Z: 54 26.590 1.998 0.564 0.504 0.925 0.528 CB 1.259 56 residues pruned to eliminate duplicates Z: 6 5.382 1.688 0.638 0.364 1.000 0.200 CA 1.007 6 residues pruned to eliminate duplicates Z: 44 25.198 1.998 0.742 0.474 0.884 0.535 CB 1.283 44 residues pruned to eliminate duplicates Z: 27 17.650 1.955 0.705 0.520 0.769 0.385 CB 1.323 27 residues pruned to eliminate duplicates Z: 22 17.166 1.984 0.533 0.541 0.857 0.571 CB 1.380 22 residues pruned to eliminate duplicates Z: 26 17.148 1.935 0.678 0.479 0.960 0.520 CB 1.124 26 residues pruned to eliminate duplicates Z: 41 24.591 2.047 0.668 0.493 0.850 0.550 CB 1.348 41 residues pruned to eliminate duplicates Z: 49 25.818 1.925 0.678 0.464 0.938 0.500 CB 1.278 49 residues pruned to eliminate duplicates Z: 24 14.580 1.976 0.660 0.478 0.783 0.478 CB 1.211 24 residues pruned to eliminate duplicates Z: 15 18.687 2.109 0.753 0.557 0.857 0.500 CB 1.492 15 residues pruned to eliminate duplicates Z: 25 15.770 1.971 0.593 0.432 0.917 0.333 CB 1.199 25 residues pruned to eliminate duplicates Z: 60 24.535 1.946 0.589 0.508 0.898 0.407 CB 1.140 60 residues pruned to eliminate duplicates Z: 50 23.714 1.956 0.617 0.495 0.878 0.510 CB 1.227 50 residues pruned to eliminate duplicates Z: 22 17.115 2.015 0.713 0.465 0.905 0.524 CB 1.239 22 residues pruned to eliminate duplicates Z: 29 14.268 1.955 0.585 0.444 0.857 0.464 CB 1.076 29 residues pruned to eliminate duplicates Z: 8 5.636 1.749 0.716 0.500 0.714 0.286 CB 0.993 8 residues pruned to eliminate duplicates Z: 11 7.027 1.787 0.588 0.567 0.800 0.300 CB 0.917 11 residues pruned to eliminate duplicates Z: 35 20.037 1.900 0.756 0.570 0.882 0.588 CB 1.091 35 residues pruned to eliminate duplicates Z: 18 11.031 1.792 0.583 0.663 0.765 0.471 CB 1.061 18 residues pruned to eliminate duplicates Z: 14 5.758 1.740 0.490 0.555 0.692 0.462 CB 0.843 14 residues pruned to eliminate duplicates Z: 11 11.792 1.736 0.931 0.781 1.000 0.700 CB 0.869 11 residues pruned to eliminate duplicates Z: 9 9.374 1.827 0.906 0.751 1.000 0.750 CB 0.761 9 residues pruned to eliminate duplicates Z: 11 9.740 1.785 0.777 0.757 1.000 0.300 CB 0.773 11 residues pruned to eliminate duplicates Z: 12 8.995 1.635 0.532 0.756 1.000 0.455 CB 0.862 12 residues pruned to eliminate duplicates Z: 19 15.349 1.753 0.936 0.730 0.944 0.611 CB 0.918 19 residues pruned to eliminate duplicates Z: 9 9.991 1.693 0.761 0.838 1.000 0.750 CB 0.886 9 residues pruned to eliminate duplicates Z: 19 12.179 1.716 0.593 0.621 0.889 0.556 CB 1.054 19 residues pruned to eliminate duplicates Z: 19 12.697 1.721 0.560 0.730 0.889 0.500 CB 1.019 19 residues pruned to eliminate duplicates Z: 18 13.505 1.769 0.542 0.699 0.941 0.647 CB 1.064 18 residues pruned to eliminate duplicates Z: 6 5.223 1.494 0.646 0.392 1.000 0.600 N 1.065 6 residues pruned to eliminate duplicates Z: 10 10.952 1.822 0.655 0.527 1.000 0.556 CB 1.179 10 residues pruned to eliminate duplicates Z: 12 13.802 1.826 0.776 0.779 1.000 0.636 CB 1.003 12 residues pruned to eliminate duplicates Z: 12 10.054 1.871 0.622 0.763 0.909 0.727 CB 0.870 12 residues pruned to eliminate duplicates Z: 11 10.470 1.757 0.722 0.724 1.000 0.800 CB 0.893 11 residues pruned to eliminate duplicates Z: 17 15.041 1.981 0.656 0.719 0.875 0.625 CB 1.075 17 residues pruned to eliminate duplicates Z: 11 9.727 1.871 0.579 0.729 1.000 0.800 CB 0.847 11 residues pruned to eliminate duplicates Z: 8 8.259 1.618 0.897 0.732 1.000 0.571 CB 0.826 7 residues pruned to eliminate duplicates Z: 8 10.279 1.804 0.971 0.817 1.000 0.714 CB 0.830 8 residues pruned to eliminate duplicates 478 residues left after pruning, divided into chains as follows: A: 10 B: 24 C: 6 D: 125 E: 42 F: 18 G: 94 H: 65 I: 94 CC for partial structure against native data = 41.45 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.392, Connect. = 0.688 for dens.mod. cycle 1 = 0.300, Contrast = 0.450, Connect. = 0.715 for dens.mod. cycle 2 = 0.300, Contrast = 0.535, Connect. = 0.748 for dens.mod. cycle 3 = 0.300, Contrast = 0.543, Connect. = 0.750 for dens.mod. cycle 4 = 0.300, Contrast = 0.552, Connect. = 0.752 for dens.mod. cycle 5 = 0.300, Contrast = 0.556, Connect. = 0.754 for dens.mod. cycle 6 = 0.300, Contrast = 0.560, Connect. = 0.756 for dens.mod. cycle 7 = 0.300, Contrast = 0.562, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.564, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.564, Connect. = 0.758 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2938 peaks > 0.5 sigma used to seed fragment search Space for about 617 unique residues taking solvent into account 581 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 21.745 2.255 0.939 0.448 0.895 0.579 CB 1.344 B: 36 37.663 2.280 0.998 0.501 0.943 0.514 CB 1.480 C: 27 23.071 2.177 0.754 0.511 0.846 0.462 CB 1.385 27 residues pruned to eliminate duplicates D: 28 36.386 2.405 0.877 0.495 0.963 0.519 CB 1.619 E: 24 26.984 2.160 0.814 0.426 0.957 0.652 CA 1.623 F: 21 16.892 2.044 0.691 0.389 0.900 0.550 CB 1.365 G: 25 22.494 2.139 0.757 0.504 0.917 0.708 CB 1.327 11 residues pruned to eliminate duplicates H: 33 25.434 2.303 0.583 0.524 0.812 0.531 CB 1.482 14 residues pruned to eliminate duplicates I: 46 29.563 2.273 0.784 0.458 0.844 0.600 CB 1.343 46 residues pruned to eliminate duplicates J: 64 35.485 2.207 0.749 0.488 0.857 0.540 CB 1.367 47 residues pruned to eliminate duplicates K: 46 32.779 2.295 0.726 0.437 0.889 0.467 CB 1.481 46 residues pruned to eliminate duplicates L: 15 17.288 2.199 0.741 0.491 0.786 0.571 CB 1.551 M: 34 17.031 1.936 0.785 0.287 0.818 0.515 CB 1.333 16 residues pruned to eliminate duplicates N: 7 17.989 2.388 1.102 0.630 0.833 0.667 CB 1.554 7 residues pruned to eliminate duplicates O: 18 10.144 1.968 0.412 0.423 0.706 0.353 CA 1.359 P: 34 27.046 2.081 0.736 0.477 0.909 0.606 CB 1.467 21 residues pruned to eliminate duplicates Q: 32 31.568 2.170 1.004 0.485 0.871 0.484 CB 1.521 38 residues pruned to eliminate duplicates R: 12 16.588 2.039 0.787 0.545 0.909 0.727 CB 1.445 12 residues pruned to eliminate duplicates S: 34 28.900 2.120 0.929 0.461 0.909 0.636 CB 1.408 15 residues pruned to eliminate duplicates T: 58 38.646 2.245 0.882 0.456 0.912 0.421 CB 1.389 60 residues pruned to eliminate duplicates U: 29 29.183 2.142 1.074 0.489 0.929 0.607 CB 1.353 27 residues pruned to eliminate duplicates V: 25 20.982 2.155 0.987 0.441 0.875 0.583 CB 1.214 23 residues pruned to eliminate duplicates W: 27 19.711 2.025 0.857 0.466 0.808 0.538 CB 1.318 27 residues pruned to eliminate duplicates X: 30 22.220 1.941 0.895 0.435 0.862 0.552 CB 1.391 30 residues pruned to eliminate duplicates Y: 10 13.457 2.118 0.842 0.385 0.889 0.444 CB 1.461 10 residues pruned to eliminate duplicates Z: 42 28.606 2.108 0.808 0.504 0.854 0.561 CB 1.367 42 residues pruned to eliminate duplicates Z: 86 33.882 1.893 0.746 0.456 0.906 0.553 CB 1.284 24 residues pruned to eliminate duplicates Z: 48 27.650 2.117 0.755 0.446 0.851 0.596 CB 1.348 24 residues pruned to eliminate duplicates Z: 23 10.878 1.946 0.512 0.256 0.909 0.364 CB 1.147 23 residues pruned to eliminate duplicates Z: 60 35.605 2.050 0.830 0.474 0.881 0.576 CB 1.439 35 residues pruned to eliminate duplicates Z: 35 29.152 2.054 0.841 0.419 0.912 0.559 CA 1.578 35 residues pruned to eliminate duplicates Z: 52 23.677 2.077 0.632 0.397 0.843 0.608 CB 1.293 50 residues pruned to eliminate duplicates Z: 61 32.727 2.042 0.724 0.449 0.867 0.550 CB 1.459 61 residues pruned to eliminate duplicates Z: 35 26.524 2.213 0.643 0.439 0.853 0.559 CB 1.562 35 residues pruned to eliminate duplicates Z: 34 27.964 2.320 0.835 0.428 0.818 0.455 CB 1.506 34 residues pruned to eliminate duplicates Z: 40 22.517 1.958 0.506 0.459 0.872 0.615 CB 1.462 40 residues pruned to eliminate duplicates Z: 69 41.474 2.258 0.808 0.487 0.868 0.588 CB 1.438 67 residues pruned to eliminate duplicates Z: 22 10.307 1.918 0.435 0.299 0.857 0.476 CB 1.193 Z: 7 9.027 1.874 0.606 0.670 0.833 0.333 CB 1.256 Z: 50 24.380 1.958 0.598 0.492 0.898 0.592 CB 1.251 68 residues pruned to eliminate duplicates Z: 14 18.175 2.074 0.766 0.582 0.923 0.538 CB 1.378 14 residues pruned to eliminate duplicates Z: 6 11.373 2.125 0.623 0.480 1.000 0.600 CB 1.505 6 residues pruned to eliminate duplicates Z: 15 14.980 2.153 0.832 0.472 0.857 0.571 CB 1.218 15 residues pruned to eliminate duplicates Z: 24 24.807 2.171 0.923 0.528 0.826 0.609 CB 1.460 24 residues pruned to eliminate duplicates Z: 30 32.635 2.282 0.849 0.527 0.931 0.690 CB 1.502 30 residues pruned to eliminate duplicates Z: 19 17.847 2.077 0.934 0.389 0.889 0.500 CB 1.325 19 residues pruned to eliminate duplicates Z: 29 18.888 1.948 0.594 0.496 0.929 0.607 CB 1.243 Z: 46 30.566 2.215 0.682 0.470 0.889 0.533 CB 1.419 45 residues pruned to eliminate duplicates Z: 11 13.644 1.787 1.320 0.483 0.900 0.700 CB 1.176 11 residues pruned to eliminate duplicates Z: 13 12.900 1.859 0.829 0.521 0.833 0.583 CB 1.288 13 residues pruned to eliminate duplicates Z: 28 26.601 2.227 0.849 0.475 0.852 0.519 CB 1.496 28 residues pruned to eliminate duplicates Z: 21 12.474 1.980 0.535 0.445 0.800 0.650 CB 1.214 Z: 31 24.368 2.216 0.815 0.450 0.767 0.533 CB 1.520 31 residues pruned to eliminate duplicates Z: 58 35.623 2.212 0.811 0.443 0.877 0.526 CB 1.424 58 residues pruned to eliminate duplicates Z: 49 30.333 2.124 0.773 0.420 0.833 0.646 CB 1.517 49 residues pruned to eliminate duplicates Z: 29 18.915 1.993 0.506 0.499 0.893 0.643 CB 1.335 21 residues pruned to eliminate duplicates Z: 81 40.939 2.221 0.775 0.468 0.838 0.550 CB 1.432 81 residues pruned to eliminate duplicates Z: 27 23.679 2.202 0.919 0.460 0.923 0.423 CB 1.239 27 residues pruned to eliminate duplicates Z: 15 18.584 2.038 0.650 0.612 0.929 0.643 CA 1.431 15 residues pruned to eliminate duplicates Z: 29 19.444 2.048 0.661 0.389 0.893 0.714 CB 1.360 29 residues pruned to eliminate duplicates Z: 19 13.378 1.863 0.307 0.729 0.889 0.611 CB 1.186 Z: 26 22.181 2.255 0.635 0.509 0.840 0.600 CB 1.420 26 residues pruned to eliminate duplicates Z: 23 27.515 2.180 0.969 0.511 0.955 0.636 CB 1.416 23 residues pruned to eliminate duplicates Z: 64 26.234 1.956 0.671 0.395 0.889 0.571 CB 1.271 129 residues pruned to eliminate duplicates Z: 23 11.930 1.923 0.705 0.426 0.864 0.636 CB 0.970 22 residues pruned to eliminate duplicates Z: 6 2.719 1.820 -0.454 0.535 0.800 0.400 CB 1.476 Z: 75 35.215 2.147 0.733 0.456 0.892 0.608 CB 1.290 38 residues pruned to eliminate duplicates Z: 36 21.291 1.891 0.778 0.364 0.914 0.543 CB 1.355 Z: 19 26.676 2.334 0.786 0.522 0.889 0.611 CB 1.660 19 residues pruned to eliminate duplicates Z: 15 9.285 1.885 0.200 0.453 0.786 0.571 CA 1.466 15 residues pruned to eliminate duplicates Z: 8 10.859 1.826 0.542 0.901 1.000 1.000 CB 1.041 8 residues pruned to eliminate duplicates Z: 12 6.699 1.753 0.802 0.489 0.636 0.545 CB 1.016 12 residues pruned to eliminate duplicates Z: 34 28.301 2.072 0.932 0.481 0.909 0.606 CB 1.379 34 residues pruned to eliminate duplicates Z: 17 10.120 1.709 0.454 0.550 0.938 0.562 CB 1.034 17 residues pruned to eliminate duplicates Z: 15 9.525 1.895 0.471 0.448 0.786 0.571 CB 1.226 15 residues pruned to eliminate duplicates Z: 52 29.955 2.070 0.813 0.388 0.863 0.529 CB 1.458 52 residues pruned to eliminate duplicates Z: 10 4.276 1.617 -0.275 0.548 1.000 0.667 CB 1.160 Z: 8 13.682 1.896 0.749 0.882 1.000 0.714 CB 1.128 8 residues pruned to eliminate duplicates Z: 11 7.856 1.867 0.476 0.585 1.000 0.600 CB 0.831 7 residues pruned to eliminate duplicates Z: 43 23.434 2.167 0.585 0.388 0.857 0.476 CB 1.384 43 residues pruned to eliminate duplicates Z: 65 37.434 2.179 0.746 0.487 0.906 0.469 CB 1.375 65 residues pruned to eliminate duplicates Z: 50 33.262 2.201 0.837 0.436 0.878 0.429 CB 1.430 50 residues pruned to eliminate duplicates Z: 13 4.094 1.584 0.048 0.329 0.667 0.417 N 1.287 Z: 12 8.619 1.783 0.590 0.527 0.818 0.545 CB 1.091 12 residues pruned to eliminate duplicates Z: 54 21.354 1.949 0.428 0.468 0.887 0.528 CB 1.228 30 residues pruned to eliminate duplicates Z: 28 22.818 2.074 0.680 0.373 0.926 0.444 CB 1.559 28 residues pruned to eliminate duplicates Z: 45 24.655 1.995 0.722 0.383 0.886 0.659 CB 1.383 45 residues pruned to eliminate duplicates Z: 25 22.098 2.093 0.687 0.359 0.917 0.625 CA 1.622 25 residues pruned to eliminate duplicates Z: 10 8.566 2.061 0.832 0.303 0.889 0.333 CB 1.059 10 residues pruned to eliminate duplicates Z: 61 28.434 2.044 0.742 0.392 0.867 0.517 CB 1.333 59 residues pruned to eliminate duplicates Z: 21 11.612 1.867 0.642 0.441 0.800 0.550 CB 1.125 18 residues pruned to eliminate duplicates Z: 56 31.819 2.128 0.897 0.476 0.855 0.618 CB 1.274 56 residues pruned to eliminate duplicates Z: 17 16.496 2.015 0.602 0.575 1.000 0.562 CB 1.189 17 residues pruned to eliminate duplicates Z: 11 7.109 1.606 0.381 0.504 1.000 0.600 CB 1.010 7 residues pruned to eliminate duplicates Z: 23 19.989 2.180 0.728 0.426 0.818 0.636 CB 1.493 23 residues pruned to eliminate duplicates Z: 28 29.670 2.140 0.925 0.464 0.963 0.407 CB 1.494 28 residues pruned to eliminate duplicates Z: 54 33.223 2.260 0.724 0.468 0.849 0.528 CB 1.426 59 residues pruned to eliminate duplicates Z: 65 40.232 2.262 0.824 0.452 0.859 0.500 CB 1.489 65 residues pruned to eliminate duplicates Z: 35 25.687 2.182 0.804 0.509 0.853 0.500 CB 1.300 35 residues pruned to eliminate duplicates Z: 29 22.800 1.953 0.603 0.596 1.000 0.607 CB 1.256 29 residues pruned to eliminate duplicates Z: 40 22.277 1.933 0.501 0.439 0.897 0.564 CA 1.459 76 residues pruned to eliminate duplicates Z: 6 7.211 1.882 0.537 0.673 0.800 0.400 CB 1.188 6 residues pruned to eliminate duplicates Z: 14 20.821 1.931 1.120 0.547 0.923 0.692 CB 1.459 14 residues pruned to eliminate duplicates Z: 85 43.139 2.205 0.905 0.435 0.881 0.500 CB 1.361 85 residues pruned to eliminate duplicates Z: 49 42.015 2.285 0.866 0.521 0.917 0.604 CB 1.519 49 residues pruned to eliminate duplicates Z: 26 18.992 2.055 0.768 0.314 0.920 0.560 CB 1.396 26 residues pruned to eliminate duplicates Z: 40 25.717 2.197 0.776 0.435 0.821 0.487 CB 1.376 40 residues pruned to eliminate duplicates Z: 21 14.462 1.923 0.459 0.526 0.900 0.550 CB 1.248 21 residues pruned to eliminate duplicates Z: 19 22.394 2.148 1.028 0.459 0.889 0.556 CB 1.421 19 residues pruned to eliminate duplicates Z: 22 23.672 2.172 0.982 0.408 0.952 0.667 CB 1.387 22 residues pruned to eliminate duplicates Z: 25 12.623 1.979 0.462 0.348 0.792 0.500 CB 1.326 25 residues pruned to eliminate duplicates Z: 8 11.566 1.820 0.787 0.860 1.000 0.714 CB 0.989 8 residues pruned to eliminate duplicates Z: 52 20.805 1.895 0.495 0.481 0.902 0.529 CB 1.162 33 residues pruned to eliminate duplicates Z: 18 13.564 1.780 0.717 0.510 0.882 0.588 CB 1.208 19 residues pruned to eliminate duplicates Z: 50 38.045 2.255 0.848 0.535 0.898 0.592 CB 1.403 67 residues pruned to eliminate duplicates Z: 14 7.868 1.665 0.652 0.394 0.769 0.308 CB 1.153 Z: 49 27.692 2.168 0.675 0.487 0.854 0.562 CB 1.305 49 residues pruned to eliminate duplicates Z: 50 30.903 2.084 0.728 0.452 0.898 0.653 CB 1.435 50 residues pruned to eliminate duplicates Z: 25 13.865 1.926 0.552 0.473 0.792 0.542 CB 1.229 25 residues pruned to eliminate duplicates Z: 10 13.365 1.781 1.189 0.534 0.778 0.667 CB 1.420 10 residues pruned to eliminate duplicates Z: 25 9.603 1.836 0.155 0.438 0.833 0.417 CB 1.182 25 residues pruned to eliminate duplicates Z: 12 7.870 1.705 0.248 0.679 0.909 0.727 CB 1.041 9 residues pruned to eliminate duplicates Z: 28 23.518 2.029 0.702 0.457 0.963 0.778 CA 1.423 28 residues pruned to eliminate duplicates Z: 21 21.719 2.184 0.922 0.429 0.950 0.550 CB 1.311 21 residues pruned to eliminate duplicates Z: 30 16.982 2.007 0.450 0.462 0.828 0.517 CB 1.361 28 residues pruned to eliminate duplicates Z: 61 29.625 2.076 0.733 0.452 0.900 0.600 CB 1.240 61 residues pruned to eliminate duplicates Z: 17 14.425 1.960 0.739 0.511 0.812 0.375 CB 1.288 17 residues pruned to eliminate duplicates Z: 16 13.895 2.065 0.704 0.497 0.800 0.600 CB 1.279 16 residues pruned to eliminate duplicates Z: 30 30.118 2.362 0.830 0.496 0.828 0.621 CB 1.569 30 residues pruned to eliminate duplicates Z: 23 14.855 2.049 0.508 0.375 0.955 0.545 CB 1.227 23 residues pruned to eliminate duplicates Z: 10 2.730 1.823 -0.334 0.179 0.778 0.444 CA 1.421 Z: 28 17.878 1.938 0.459 0.442 0.889 0.593 CB 1.454 28 residues pruned to eliminate duplicates Z: 29 17.104 1.952 0.461 0.478 0.857 0.536 CB 1.351 29 residues pruned to eliminate duplicates Z: 59 35.435 2.217 0.840 0.460 0.845 0.466 CB 1.406 59 residues pruned to eliminate duplicates Z: 32 23.486 2.086 0.623 0.446 0.935 0.452 CB 1.409 32 residues pruned to eliminate duplicates Z: 77 34.125 2.167 0.739 0.459 0.829 0.526 CB 1.306 77 residues pruned to eliminate duplicates Z: 26 20.764 2.102 0.858 0.423 0.840 0.520 CB 1.372 26 residues pruned to eliminate duplicates Z: 57 40.294 2.093 0.868 0.458 0.929 0.589 CB 1.548 59 residues pruned to eliminate duplicates Z: 16 13.337 1.637 0.860 0.471 1.000 0.667 CB 1.165 Z: 17 9.501 1.981 0.635 0.340 0.688 0.438 CB 1.270 17 residues pruned to eliminate duplicates Z: 57 31.247 2.214 0.707 0.475 0.821 0.536 CB 1.379 57 residues pruned to eliminate duplicates Z: 88 46.667 2.246 0.775 0.484 0.897 0.540 CB 1.422 88 residues pruned to eliminate duplicates Z: 17 14.449 1.842 0.671 0.594 0.875 0.625 CB 1.226 17 residues pruned to eliminate duplicates Z: 28 27.181 2.253 1.137 0.520 0.852 0.556 CB 1.251 28 residues pruned to eliminate duplicates Z: 8 13.922 1.840 0.808 0.907 1.000 1.000 CB 1.124 8 residues pruned to eliminate duplicates Z: 10 15.054 2.346 0.725 0.445 0.889 0.667 CB 1.475 10 residues pruned to eliminate duplicates Z: 25 20.096 1.991 0.795 0.492 0.917 0.500 CB 1.262 25 residues pruned to eliminate duplicates Z: 49 25.841 2.025 0.721 0.411 0.917 0.479 CB 1.282 47 residues pruned to eliminate duplicates Z: 49 33.700 2.228 0.873 0.431 0.875 0.479 CB 1.431 49 residues pruned to eliminate duplicates Z: 25 14.568 1.978 0.631 0.379 0.833 0.583 CB 1.258 25 residues pruned to eliminate duplicates Z: 8 5.602 1.862 0.979 0.583 0.714 0.714 CB 0.743 Z: 53 34.454 2.211 0.786 0.451 0.904 0.462 CB 1.407 53 residues pruned to eliminate duplicates Z: 36 24.665 2.013 0.714 0.414 0.886 0.600 CB 1.494 36 residues pruned to eliminate duplicates Z: 56 23.944 1.969 0.479 0.447 0.909 0.491 CB 1.288 57 residues pruned to eliminate duplicates Z: 8 8.607 1.786 0.658 0.834 1.000 0.857 CB 0.824 7 residues pruned to eliminate duplicates Z: 6 4.109 1.859 0.534 0.490 0.600 0.400 CA 1.085 6 residues pruned to eliminate duplicates Z: 10 14.448 1.924 0.732 0.614 1.000 0.778 CB 1.297 18 residues pruned to eliminate duplicates Z: 19 9.718 1.744 0.512 0.509 0.833 0.500 CB 1.033 19 residues pruned to eliminate duplicates Z: 14 6.796 1.916 0.383 0.370 0.846 0.538 CB 0.967 14 residues pruned to eliminate duplicates Z: 52 35.369 2.172 0.729 0.564 0.902 0.549 CB 1.375 53 residues pruned to eliminate duplicates Z: 16 13.923 1.653 0.834 0.471 1.000 0.600 CB 1.221 17 residues pruned to eliminate duplicates Z: 7 5.486 1.582 0.439 0.486 1.000 0.667 N 0.997 Z: 9 7.275 1.832 0.821 0.362 0.875 0.500 CB 1.022 9 residues pruned to eliminate duplicates Z: 12 4.849 1.822 0.002 0.271 0.818 0.455 N 1.270 12 residues pruned to eliminate duplicates Z: 37 23.796 2.029 0.715 0.415 0.833 0.611 CA 1.495 37 residues pruned to eliminate duplicates Z: 11 6.535 1.764 -0.010 0.441 0.900 0.900 N 1.396 14 residues pruned to eliminate duplicates Z: 54 26.610 2.008 0.645 0.393 0.925 0.547 CB 1.341 54 residues pruned to eliminate duplicates Z: 35 21.723 2.055 0.552 0.407 0.824 0.618 CB 1.564 35 residues pruned to eliminate duplicates Z: 19 14.344 2.065 0.590 0.513 0.833 0.389 CB 1.220 19 residues pruned to eliminate duplicates Z: 12 8.403 1.845 0.669 0.363 0.818 0.455 CB 1.165 12 residues pruned to eliminate duplicates Z: 6 2.457 1.626 0.222 0.334 0.600 0.600 CB 1.105 Z: 7 5.248 1.681 0.588 0.882 1.000 1.000 CB 0.580 Z: 31 28.380 1.878 1.102 0.520 0.967 0.567 CB 1.332 13 residues pruned to eliminate duplicates Z: 15 8.295 1.940 0.512 0.318 0.857 0.643 CB 1.078 15 residues pruned to eliminate duplicates Z: 16 9.150 1.780 0.423 0.425 0.867 0.467 CB 1.164 16 residues pruned to eliminate duplicates Z: 65 44.399 2.315 0.757 0.489 0.906 0.547 CB 1.522 65 residues pruned to eliminate duplicates Z: 27 16.405 1.905 0.552 0.567 0.885 0.654 CB 1.153 27 residues pruned to eliminate duplicates Z: 8 2.191 1.548 0.239 0.098 0.571 0.286 CB 1.263 Z: 40 20.743 1.993 0.550 0.390 0.795 0.538 CB 1.520 40 residues pruned to eliminate duplicates Z: 34 25.008 2.080 0.631 0.431 0.879 0.545 CA 1.568 10 residues pruned to eliminate duplicates Z: 10 6.707 1.787 0.090 0.432 0.889 0.667 CB 1.385 8 residues pruned to eliminate duplicates Z: 39 18.192 1.959 0.478 0.378 0.895 0.579 CB 1.298 39 residues pruned to eliminate duplicates Z: 40 25.476 1.987 0.577 0.441 0.923 0.641 CB 1.499 40 residues pruned to eliminate duplicates Z: 43 26.827 2.016 0.623 0.525 0.929 0.524 CB 1.329 43 residues pruned to eliminate duplicates Z: 30 16.593 2.027 0.518 0.464 0.897 0.483 CB 1.158 30 residues pruned to eliminate duplicates Z: 10 9.648 1.703 1.346 0.590 0.889 0.667 CB 0.831 Z: 29 15.980 2.032 0.493 0.464 0.821 0.607 CB 1.258 29 residues pruned to eliminate duplicates Z: 51 36.866 2.341 0.817 0.437 0.860 0.500 CB 1.521 51 residues pruned to eliminate duplicates Z: 23 28.127 2.225 0.857 0.500 0.864 0.500 CB 1.681 23 residues pruned to eliminate duplicates Z: 20 13.819 1.932 0.814 0.326 0.895 0.526 CB 1.223 20 residues pruned to eliminate duplicates Z: 7 4.816 1.756 0.216 0.401 0.833 0.667 N 1.226 7 residues pruned to eliminate duplicates Z: 15 12.259 1.799 0.601 0.641 0.857 0.714 CB 1.163 15 residues pruned to eliminate duplicates Z: 22 12.707 1.973 0.464 0.409 0.810 0.381 CB 1.304 22 residues pruned to eliminate duplicates Z: 18 10.250 1.753 0.433 0.491 0.882 0.647 CB 1.132 18 residues pruned to eliminate duplicates Z: 11 5.670 1.708 0.538 0.511 0.700 0.500 CB 0.965 9 residues pruned to eliminate duplicates Z: 119 40.584 2.114 0.704 0.436 0.864 0.449 CB 1.282 119 residues pruned to eliminate duplicates Z: 21 19.412 2.229 0.926 0.361 0.850 0.450 CB 1.381 21 residues pruned to eliminate duplicates Z: 6 8.506 1.623 0.732 0.731 0.800 0.800 CA 1.374 6 residues pruned to eliminate duplicates Z: 7 6.275 1.896 0.654 0.446 0.667 0.667 CB 1.294 7 residues pruned to eliminate duplicates Z: 72 39.544 2.219 0.827 0.461 0.845 0.521 CB 1.425 72 residues pruned to eliminate duplicates Z: 6 2.872 1.415 0.599 0.265 0.800 0.400 C 0.928 Z: 13 15.123 1.875 0.605 0.656 1.000 0.667 CB 1.255 13 residues pruned to eliminate duplicates Z: 41 20.374 1.997 0.424 0.391 0.850 0.500 CB 1.496 41 residues pruned to eliminate duplicates Z: 11 8.792 2.014 0.500 0.259 0.900 0.600 CB 1.346 11 residues pruned to eliminate duplicates Z: 10 10.000 1.707 0.987 0.447 0.778 0.444 CB 1.335 10 residues pruned to eliminate duplicates Z: 14 11.602 1.726 0.566 0.470 0.923 0.615 CB 1.329 14 residues pruned to eliminate duplicates Z: 16 7.849 1.874 0.423 0.283 0.800 0.400 CB 1.213 16 residues pruned to eliminate duplicates Z: 8 7.280 1.551 0.579 0.738 0.857 0.714 CB 1.059 Z: 20 18.284 2.036 0.648 0.422 0.895 0.579 CB 1.516 20 residues pruned to eliminate duplicates Z: 45 26.157 1.946 0.620 0.490 0.886 0.614 CB 1.426 102 residues pruned to eliminate duplicates Z: 29 21.202 1.961 0.693 0.532 0.893 0.679 CB 1.310 29 residues pruned to eliminate duplicates Z: 32 22.266 1.923 0.703 0.510 0.935 0.613 CB 1.292 32 residues pruned to eliminate duplicates Z: 12 4.647 1.686 0.034 0.421 0.727 0.455 N 1.200 Z: 9 5.388 1.879 0.611 0.480 0.750 0.375 CB 0.856 9 residues pruned to eliminate duplicates Z: 29 23.011 2.125 1.017 0.430 0.786 0.571 CB 1.388 29 residues pruned to eliminate duplicates Z: 6 8.175 1.644 1.132 0.543 0.800 0.600 O 1.250 Z: 30 24.433 2.186 0.815 0.486 0.862 0.690 CB 1.345 30 residues pruned to eliminate duplicates Z: 14 10.427 1.864 0.609 0.342 0.846 0.615 CB 1.353 14 residues pruned to eliminate duplicates Z: 6 2.959 1.590 0.572 0.497 0.800 0.600 O 0.664 6 residues pruned to eliminate duplicates Z: 12 9.370 1.844 0.590 0.590 0.909 0.636 CB 0.973 11 residues pruned to eliminate duplicates Z: 6 7.115 1.949 0.612 0.280 0.800 0.400 CA 1.624 6 residues pruned to eliminate duplicates Z: 17 12.117 1.609 0.742 0.457 1.000 0.562 CB 1.130 Z: 18 15.289 1.827 0.863 0.381 0.824 0.412 CB 1.501 18 residues pruned to eliminate duplicates Z: 23 18.232 1.981 0.888 0.427 0.864 0.500 CB 1.298 23 residues pruned to eliminate duplicates Z: 13 9.778 1.626 0.961 0.554 0.833 0.667 CB 1.008 13 residues pruned to eliminate duplicates Z: 54 24.500 1.955 0.601 0.482 0.906 0.509 CB 1.209 54 residues pruned to eliminate duplicates Z: 14 19.569 2.059 0.605 0.679 0.923 0.769 CB 1.509 14 residues pruned to eliminate duplicates Z: 12 5.538 1.761 -0.073 0.349 0.909 0.636 CB 1.326 Z: 39 28.977 2.212 0.825 0.444 0.842 0.526 CB 1.465 39 residues pruned to eliminate duplicates Z: 38 25.012 2.213 0.806 0.454 0.757 0.568 CB 1.425 38 residues pruned to eliminate duplicates Z: 26 15.148 1.961 0.644 0.379 0.840 0.480 CB 1.272 26 residues pruned to eliminate duplicates Z: 11 6.656 1.716 0.384 0.696 0.800 0.600 CB 0.927 Z: 7 7.066 1.762 0.709 0.645 0.833 0.667 CB 1.004 7 residues pruned to eliminate duplicates Z: 7 5.071 1.773 0.036 0.640 0.833 0.833 CB 1.186 Z: 49 27.465 2.180 0.780 0.474 0.833 0.521 CB 1.259 51 residues pruned to eliminate duplicates Z: 15 15.402 2.140 0.843 0.450 0.786 0.571 CB 1.398 15 residues pruned to eliminate duplicates Z: 13 10.592 1.801 0.514 0.538 0.833 0.583 CA 1.297 16 residues pruned to eliminate duplicates Z: 6 5.699 1.646 -0.169 0.801 1.000 0.800 CB 1.431 Z: 7 3.965 1.692 -0.112 0.610 1.000 0.667 CB 0.970 Z: 7 6.022 1.441 0.356 0.671 1.000 0.500 CA 1.074 7 residues pruned to eliminate duplicates Z: 20 18.432 2.163 0.994 0.405 0.737 0.579 CB 1.471 20 residues pruned to eliminate duplicates Z: 20 10.454 1.831 0.666 0.465 0.737 0.579 CB 1.105 20 residues pruned to eliminate duplicates Z: 16 8.088 1.606 0.618 0.388 0.867 0.667 CB 1.044 16 residues pruned to eliminate duplicates Z: 15 11.679 1.878 0.710 0.420 0.929 0.571 CB 1.137 15 residues pruned to eliminate duplicates Z: 34 18.134 1.959 0.489 0.448 0.879 0.485 CB 1.299 34 residues pruned to eliminate duplicates Z: 7 6.984 1.573 0.375 0.721 0.833 0.667 CB 1.295 7 residues pruned to eliminate duplicates Z: 14 8.237 1.660 0.596 0.633 0.769 0.385 CB 0.990 7 residues pruned to eliminate duplicates Z: 6 11.975 1.773 1.492 0.871 1.000 1.000 CB 0.884 Z: 15 12.152 1.791 0.618 0.626 0.857 0.571 CB 1.161 15 residues pruned to eliminate duplicates Z: 7 4.246 1.649 0.445 0.867 1.000 1.000 CB 0.532 7 residues pruned to eliminate duplicates Z: 7 5.692 1.720 0.079 0.558 0.833 0.500 CB 1.419 Z: 26 14.227 1.980 0.319 0.457 0.800 0.520 CB 1.423 26 residues pruned to eliminate duplicates Z: 36 29.722 2.252 0.640 0.519 0.943 0.543 CB 1.416 36 residues pruned to eliminate duplicates Z: 6 2.104 1.252 0.324 0.453 0.800 0.800 CB 0.745 Z: 7 3.615 1.576 -0.171 0.560 0.833 0.667 CA 1.279 Z: 13 12.866 2.035 0.348 0.386 1.000 0.667 CB 1.529 13 residues pruned to eliminate duplicates Z: 7 6.220 1.616 0.884 0.881 1.000 1.000 CB 0.604 7 residues pruned to eliminate duplicates Z: 9 16.511 1.872 0.524 0.750 1.000 0.875 CA 1.637 Z: 25 10.977 1.742 0.671 0.383 0.792 0.542 CB 1.102 25 residues pruned to eliminate duplicates Z: 48 31.107 2.256 0.716 0.457 0.809 0.511 CB 1.515 48 residues pruned to eliminate duplicates Z: 8 12.992 1.867 0.511 0.890 1.000 0.857 CB 1.253 8 residues pruned to eliminate duplicates Z: 6 5.257 1.534 0.729 0.553 0.800 0.600 CB 1.052 Z: 24 20.990 2.041 0.598 0.535 0.913 0.522 CB 1.420 24 residues pruned to eliminate duplicates Z: 7 8.492 1.847 0.749 0.833 1.000 0.833 CB 0.805 7 residues pruned to eliminate duplicates Z: 6 13.027 1.853 0.885 0.869 1.000 1.000 N 1.219 8 residues pruned to eliminate duplicates Z: 6 6.257 1.726 0.910 0.614 1.000 0.600 CB 0.762 Z: 25 25.620 2.122 0.674 0.390 1.000 0.583 CA 1.653 10 residues pruned to eliminate duplicates Z: 50 30.747 2.073 0.794 0.401 0.918 0.531 CB 1.427 50 residues pruned to eliminate duplicates Z: 17 16.209 2.038 0.483 0.546 0.875 0.625 CB 1.464 17 residues pruned to eliminate duplicates Z: 29 20.207 2.008 0.514 0.344 0.929 0.429 CB 1.602 29 residues pruned to eliminate duplicates Z: 6 2.834 1.284 0.379 0.485 1.000 0.600 CA 0.727 Z: 24 17.251 2.011 0.566 0.494 0.870 0.522 CB 1.322 24 residues pruned to eliminate duplicates Z: 9 4.452 1.510 0.052 0.480 0.875 0.500 C 1.156 7 residues pruned to eliminate duplicates Z: 8 3.564 1.521 0.445 0.227 0.857 0.571 CB 0.984 8 residues pruned to eliminate duplicates Z: 8 6.934 1.999 0.272 0.526 0.714 0.571 CA 1.406 8 residues pruned to eliminate duplicates Z: 45 24.188 2.161 0.707 0.380 0.818 0.455 CB 1.372 45 residues pruned to eliminate duplicates Z: 6 2.477 1.622 -0.189 0.709 1.000 0.400 CB 0.696 6 residues pruned to eliminate duplicates Z: 9 9.564 1.647 0.657 0.893 1.000 0.875 CB 0.890 8 residues pruned to eliminate duplicates Z: 20 8.661 1.678 0.348 0.414 0.895 0.526 CB 1.074 20 residues pruned to eliminate duplicates Z: 19 12.723 1.738 0.520 0.712 0.944 0.556 CB 0.992 23 residues pruned to eliminate duplicates Z: 7 9.969 1.909 0.811 0.587 1.000 0.667 CB 1.083 7 residues pruned to eliminate duplicates Z: 7 6.293 1.680 0.403 0.889 1.000 1.000 CB 0.785 7 residues pruned to eliminate duplicates Z: 32 17.929 2.000 0.449 0.496 0.935 0.452 CB 1.192 32 residues pruned to eliminate duplicates Z: 9 10.462 1.626 0.640 0.889 1.000 0.750 CB 0.999 9 residues pruned to eliminate duplicates Z: 11 7.558 1.658 0.534 0.577 0.900 0.700 CB 0.969 Z: 8 2.503 1.463 0.117 0.209 0.857 0.571 N 0.953 8 residues pruned to eliminate duplicates Z: 15 15.515 1.981 0.615 0.388 0.929 0.500 CB 1.572 15 residues pruned to eliminate duplicates Z: 37 31.300 2.224 0.941 0.482 0.806 0.583 CB 1.527 37 residues pruned to eliminate duplicates Z: 6 10.386 1.784 0.797 0.716 1.000 0.800 N 1.192 Z: 13 13.359 1.796 0.736 0.360 1.000 0.583 N 1.437 14 residues pruned to eliminate duplicates Z: 42 17.291 1.806 0.654 0.368 0.878 0.512 CB 1.186 36 residues pruned to eliminate duplicates Z: 8 3.805 1.754 -0.322 0.435 1.000 0.286 CB 1.294 9 residues pruned to eliminate duplicates Z: 61 30.937 2.229 0.625 0.437 0.817 0.483 CB 1.441 61 residues pruned to eliminate duplicates 6 0.539 1.555 0.194 0.349 0.600 0.400 CB 0.255 ? Z: 7 9.035 1.897 0.558 0.885 1.000 1.000 CB 0.901 7 residues pruned to eliminate duplicates Z: 7 11.855 1.850 0.619 0.883 1.000 1.000 CA 1.169 7 residues pruned to eliminate duplicates Z: 21 16.401 2.131 0.862 0.391 0.750 0.500 CB 1.384 21 residues pruned to eliminate duplicates Z: 9 2.489 1.497 0.193 0.520 0.750 0.625 CB 0.644 9 residues pruned to eliminate duplicates Z: 21 16.593 1.990 0.592 0.495 0.800 0.300 CA 1.471 21 residues pruned to eliminate duplicates Z: 15 13.319 1.882 0.534 0.615 1.000 0.643 CB 1.106 15 residues pruned to eliminate duplicates Z: 8 3.327 1.496 0.026 0.484 0.714 0.571 CB 1.166 Z: 29 17.709 2.024 0.481 0.482 0.893 0.464 CB 1.274 29 residues pruned to eliminate duplicates Z: 8 3.853 1.499 0.189 0.353 0.857 0.429 CB 1.118 Z: 7 2.567 1.385 0.450 0.405 0.667 0.667 O 0.865 Z: 13 5.311 1.640 0.401 0.308 0.833 0.333 CB 0.991 11 residues pruned to eliminate duplicates 7 1.118 1.513 -0.097 0.157 0.833 0.333 CB 0.610 ? Z: 7 7.894 1.817 0.327 0.776 1.000 0.833 CB 1.047 7 residues pruned to eliminate duplicates Z: 48 27.562 1.950 0.743 0.423 0.851 0.553 CB 1.505 48 residues pruned to eliminate duplicates Z: 8 8.573 1.600 1.168 0.353 0.857 0.286 CB 1.279 8 residues pruned to eliminate duplicates Z: 22 14.489 1.891 0.562 0.501 0.857 0.619 CB 1.247 22 residues pruned to eliminate duplicates Z: 13 10.925 1.790 0.654 0.626 0.917 0.667 CB 1.032 13 residues pruned to eliminate duplicates Z: 9 11.826 1.655 0.759 0.888 1.000 0.750 CB 1.035 9 residues pruned to eliminate duplicates Z: 11 4.386 1.633 0.079 0.351 0.800 0.400 CB 1.157 11 residues pruned to eliminate duplicates Z: 17 23.401 2.183 0.960 0.511 0.938 0.688 CB 1.443 17 residues pruned to eliminate duplicates Z: 11 2.648 1.486 0.083 0.355 0.700 0.500 CB 0.870 6 residues pruned to eliminate duplicates Z: 9 2.402 1.397 0.029 0.228 0.750 0.500 CB 1.081 Z: 72 36.476 2.010 0.693 0.481 0.915 0.577 CB 1.417 72 residues pruned to eliminate duplicates Z: 20 11.092 1.833 0.656 0.337 0.842 0.474 CB 1.189 20 residues pruned to eliminate duplicates Z: 14 10.043 1.701 0.592 0.711 0.923 0.462 CB 0.921 14 residues pruned to eliminate duplicates Z: 10 5.974 1.737 0.629 0.437 0.889 0.778 CB 0.845 5 residues pruned to eliminate duplicates Z: 8 9.877 1.653 0.771 0.775 1.000 0.571 CB 1.000 8 residues pruned to eliminate duplicates Z: 10 4.084 1.601 0.321 0.397 0.778 0.444 CB 0.923 10 residues pruned to eliminate duplicates Z: 6 3.471 1.688 -0.233 0.627 1.000 0.800 CB 1.064 Z: 29 16.205 1.927 0.504 0.434 0.821 0.571 CB 1.378 29 residues pruned to eliminate duplicates Z: 7 8.824 1.727 0.683 0.857 1.000 0.667 CA 0.913 7 residues pruned to eliminate duplicates Z: 19 13.962 1.855 0.452 0.686 0.889 0.667 CB 1.159 19 residues pruned to eliminate duplicates Z: 26 24.082 2.187 0.616 0.473 0.880 0.600 CB 1.592 26 residues pruned to eliminate duplicates Z: 20 19.720 2.067 0.806 0.520 0.842 0.737 CB 1.411 20 residues pruned to eliminate duplicates Z: 16 10.651 1.860 0.536 0.583 0.733 0.600 CB 1.212 16 residues pruned to eliminate duplicates Z: 25 14.535 1.938 0.483 0.522 0.875 0.542 CB 1.155 25 residues pruned to eliminate duplicates Z: 9 4.942 1.513 0.573 0.445 0.875 0.750 CB 0.887 9 residues pruned to eliminate duplicates Z: 16 19.182 2.323 0.290 0.614 0.867 0.467 CB 1.712 16 residues pruned to eliminate duplicates Z: 29 16.743 1.925 0.712 0.412 0.893 0.429 CB 1.179 29 residues pruned to eliminate duplicates 6 1.718 1.782 -0.258 0.304 0.800 0.600 CB 0.903 ? Z: 23 10.568 1.740 0.661 0.312 0.818 0.500 CB 1.174 23 residues pruned to eliminate duplicates Z: 36 21.058 2.133 0.719 0.378 0.857 0.486 CB 1.290 36 residues pruned to eliminate duplicates Z: 17 18.062 2.152 0.818 0.493 0.750 0.688 CB 1.549 17 residues pruned to eliminate duplicates Z: 62 37.844 2.234 0.859 0.482 0.836 0.557 CB 1.422 62 residues pruned to eliminate duplicates Z: 29 22.682 2.002 0.946 0.443 0.821 0.607 CB 1.421 29 residues pruned to eliminate duplicates Z: 7 8.667 1.969 0.651 0.775 0.833 0.833 CB 1.025 7 residues pruned to eliminate duplicates Z: 7 7.866 1.745 0.600 0.814 1.000 1.000 CB 0.876 7 residues pruned to eliminate duplicates Z: 15 11.419 1.647 0.717 0.449 0.929 0.571 CB 1.224 16 residues pruned to eliminate duplicates Z: 51 28.615 1.994 0.723 0.472 0.880 0.640 CB 1.377 51 residues pruned to eliminate duplicates Z: 13 5.654 1.602 0.602 0.326 0.833 0.500 CB 0.924 9 residues pruned to eliminate duplicates Z: 69 34.051 1.996 0.752 0.456 0.882 0.559 CB 1.399 69 residues pruned to eliminate duplicates Z: 39 24.506 1.931 0.658 0.463 0.895 0.632 CA 1.441 39 residues pruned to eliminate duplicates Z: 8 7.441 1.254 0.906 0.801 1.000 0.714 CA 0.904 8 residues pruned to eliminate duplicates Z: 29 17.724 2.050 0.794 0.369 0.821 0.536 CB 1.276 29 residues pruned to eliminate duplicates Z: 20 14.684 1.917 0.575 0.355 0.895 0.632 CA 1.457 20 residues pruned to eliminate duplicates Z: 12 7.008 1.882 0.345 0.279 0.727 0.545 CA 1.473 12 residues pruned to eliminate duplicates Z: 11 12.432 1.985 0.820 0.292 0.900 0.400 CB 1.526 11 residues pruned to eliminate duplicates Z: 6 7.633 1.729 0.750 0.699 0.800 0.800 CA 1.176 6 residues pruned to eliminate duplicates Z: 9 3.332 1.455 0.131 0.509 0.750 0.750 CB 0.946 Z: 8 5.811 1.739 0.562 0.264 0.857 0.571 CB 1.235 8 residues pruned to eliminate duplicates Z: 17 17.537 1.991 0.730 0.536 0.875 0.688 CB 1.404 17 residues pruned to eliminate duplicates Z: 11 9.343 1.742 0.482 0.504 0.800 0.600 N 1.425 11 residues pruned to eliminate duplicates Z: 9 5.339 1.825 0.418 0.356 0.750 0.500 CB 1.137 9 residues pruned to eliminate duplicates Z: 7 7.614 1.573 0.856 0.835 0.833 0.667 CA 0.957 7 residues pruned to eliminate duplicates Z: 7 4.564 1.327 0.494 0.388 1.000 0.500 N 1.058 Z: 9 3.962 1.373 0.510 0.356 0.750 0.250 C 1.052 Z: 18 18.945 2.203 0.656 0.337 0.882 0.588 CA 1.706 18 residues pruned to eliminate duplicates Z: 7 2.366 1.335 0.252 0.334 0.833 0.500 N 0.831 Z: 7 4.617 1.608 0.810 0.862 1.000 0.833 CB 0.476 7 residues pruned to eliminate duplicates Z: 11 15.322 1.863 0.647 0.720 1.000 0.900 CA 1.294 11 residues pruned to eliminate duplicates Z: 23 13.626 1.778 0.481 0.508 0.818 0.591 CA 1.338 23 residues pruned to eliminate duplicates Z: 7 6.327 1.820 -0.323 0.762 1.000 0.667 N 1.661 6 residues pruned to eliminate duplicates Z: 28 16.304 1.902 0.650 0.392 0.778 0.481 CA 1.441 28 residues pruned to eliminate duplicates Z: 21 16.769 1.963 0.968 0.412 0.950 0.650 CB 1.120 21 residues pruned to eliminate duplicates Z: 7 5.529 1.673 0.290 0.828 1.000 0.667 CB 0.787 7 residues pruned to eliminate duplicates Z: 7 5.205 1.356 0.549 0.602 0.833 0.667 CB 1.102 Z: 7 3.183 1.505 0.327 0.236 0.833 0.500 CB 1.062 Z: 12 6.827 1.718 0.616 0.432 0.818 0.273 CB 0.973 12 residues pruned to eliminate duplicates Z: 17 14.093 1.835 0.522 0.497 0.875 0.688 CB 1.446 17 residues pruned to eliminate duplicates Z: 7 3.076 1.569 0.545 0.775 1.000 0.667 CB 0.406 7 residues pruned to eliminate duplicates Z: 11 4.097 1.578 0.390 0.316 0.700 0.400 CB 1.034 11 residues pruned to eliminate duplicates Z: 62 36.515 2.235 0.801 0.448 0.902 0.541 CB 1.359 62 residues pruned to eliminate duplicates Z: 16 8.162 1.867 0.260 0.572 0.733 0.400 CB 1.139 16 residues pruned to eliminate duplicates Z: 6 7.805 1.555 0.575 0.831 1.000 0.800 N 1.071 6 residues pruned to eliminate duplicates Z: 16 13.023 1.666 1.088 0.534 0.867 0.667 N 1.079 12 residues pruned to eliminate duplicates Z: 24 13.504 1.903 0.755 0.434 0.870 0.609 CB 1.038 24 residues pruned to eliminate duplicates Z: 68 40.460 2.224 0.819 0.445 0.881 0.552 CB 1.467 51 residues pruned to eliminate duplicates Z: 22 11.171 1.953 0.397 0.419 0.952 0.571 CB 1.021 22 residues pruned to eliminate duplicates Z: 27 12.018 1.742 0.373 0.455 0.769 0.538 CB 1.342 27 residues pruned to eliminate duplicates Z: 13 8.532 1.803 0.350 0.412 0.833 0.417 CB 1.331 13 residues pruned to eliminate duplicates Z: 26 23.241 2.202 0.832 0.449 0.920 0.520 CB 1.320 26 residues pruned to eliminate duplicates Z: 11 4.779 1.678 0.261 0.448 1.000 0.600 CB 0.754 11 residues pruned to eliminate duplicates 6 1.708 1.357 0.188 0.159 0.800 0.600 C 0.899 ? Z: 16 14.973 2.030 0.507 0.611 1.000 0.600 CB 1.137 16 residues pruned to eliminate duplicates Z: 13 6.326 1.577 0.707 0.492 0.917 0.667 CB 0.746 Z: 8 6.997 1.990 0.405 0.659 0.714 0.429 CB 1.142 8 residues pruned to eliminate duplicates Z: 9 8.046 1.613 0.654 0.719 0.875 0.500 CB 1.000 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 19 11.095 1.724 0.592 0.429 0.944 0.389 CB 1.086 13 residues pruned to eliminate duplicates Z: 6 3.612 1.508 0.753 0.290 0.800 0.800 CA 0.967 6 residues pruned to eliminate duplicates Z: 15 13.363 1.820 0.662 0.585 0.857 0.571 CB 1.270 15 residues pruned to eliminate duplicates Z: 17 12.924 1.798 0.732 0.487 0.938 0.562 CB 1.122 17 residues pruned to eliminate duplicates Z: 22 12.502 1.772 0.609 0.549 0.762 0.619 CB 1.198 27 residues pruned to eliminate duplicates Z: 8 2.990 1.628 -0.152 0.420 0.857 0.143 CA 1.037 8 residues pruned to eliminate duplicates Z: 20 16.181 1.899 0.771 0.462 0.842 0.579 CB 1.362 20 residues pruned to eliminate duplicates Z: 20 11.853 1.732 0.751 0.440 0.842 0.526 CB 1.132 20 residues pruned to eliminate duplicates Z: 9 10.888 1.847 0.855 0.641 0.875 0.625 CB 1.126 9 residues pruned to eliminate duplicates Z: 7 8.737 1.725 1.101 0.536 1.000 0.667 CB 0.950 7 residues pruned to eliminate duplicates Z: 21 12.453 1.969 0.606 0.501 0.900 0.500 CB 0.977 21 residues pruned to eliminate duplicates Z: 34 17.790 1.883 0.665 0.423 0.939 0.576 CB 1.139 31 residues pruned to eliminate duplicates Z: 6 6.980 1.807 0.819 0.596 1.000 0.600 CB 0.866 6 residues pruned to eliminate duplicates Z: 13 6.772 1.755 0.640 0.462 0.833 0.333 CB 0.848 10 residues pruned to eliminate duplicates Z: 7 3.271 1.203 0.738 0.329 0.833 0.500 N 0.924 7 residues pruned to eliminate duplicates Z: 15 11.108 2.017 0.563 0.265 0.857 0.500 CB 1.435 15 residues pruned to eliminate duplicates Z: 31 13.678 1.916 0.684 0.308 0.767 0.467 CB 1.250 28 residues pruned to eliminate duplicates Z: 7 7.240 1.454 0.934 0.508 1.000 0.667 CB 1.043 7 residues pruned to eliminate duplicates Z: 17 10.782 1.954 0.569 0.255 0.875 0.500 CB 1.331 17 residues pruned to eliminate duplicates Z: 13 12.003 2.065 0.612 0.347 0.917 0.667 CB 1.340 13 residues pruned to eliminate duplicates Z: 41 15.812 2.006 0.632 0.277 0.825 0.375 CB 1.191 41 residues pruned to eliminate duplicates Z: 7 6.736 1.786 -0.032 0.641 1.000 0.833 CB 1.394 Z: 8 7.219 1.698 0.492 0.503 1.000 0.714 CB 1.073 8 residues pruned to eliminate duplicates Z: 16 11.162 1.892 0.810 0.408 0.800 0.400 CB 1.159 16 residues pruned to eliminate duplicates Z: 17 7.426 1.685 0.332 0.365 0.812 0.375 CB 1.177 17 residues pruned to eliminate duplicates Z: 48 29.252 2.125 0.672 0.435 0.936 0.596 CB 1.372 48 residues pruned to eliminate duplicates Z: 22 16.954 1.937 0.650 0.445 0.905 0.476 CB 1.354 22 residues pruned to eliminate duplicates Z: 19 12.720 1.816 0.742 0.454 0.833 0.333 CB 1.193 19 residues pruned to eliminate duplicates Z: 24 14.935 1.994 0.725 0.374 0.783 0.478 CB 1.323 24 residues pruned to eliminate duplicates Z: 21 15.656 1.924 0.593 0.489 0.950 0.450 CB 1.216 21 residues pruned to eliminate duplicates Z: 38 20.894 2.046 0.463 0.422 0.919 0.541 CB 1.354 38 residues pruned to eliminate duplicates Z: 44 17.893 1.976 0.603 0.399 0.837 0.581 CB 1.145 44 residues pruned to eliminate duplicates Z: 13 10.657 2.080 0.477 0.284 0.833 0.583 CB 1.532 13 residues pruned to eliminate duplicates Z: 34 21.589 2.059 0.652 0.394 0.879 0.697 CB 1.407 34 residues pruned to eliminate duplicates Z: 50 27.349 2.103 0.642 0.384 0.918 0.510 CB 1.394 50 residues pruned to eliminate duplicates Z: 43 24.484 2.094 0.658 0.348 0.952 0.548 CB 1.347 43 residues pruned to eliminate duplicates Z: 23 14.709 2.059 0.471 0.393 0.864 0.682 CB 1.343 23 residues pruned to eliminate duplicates Z: 25 14.563 2.010 0.484 0.403 0.833 0.625 CB 1.325 25 residues pruned to eliminate duplicates Z: 26 13.247 1.961 0.491 0.382 0.840 0.560 CB 1.223 26 residues pruned to eliminate duplicates Z: 20 9.446 1.996 0.330 0.292 0.947 0.579 CB 1.088 20 residues pruned to eliminate duplicates Z: 47 21.599 1.900 0.627 0.388 0.957 0.522 CB 1.213 47 residues pruned to eliminate duplicates Z: 19 14.065 2.036 0.632 0.270 0.889 0.500 CB 1.458 19 residues pruned to eliminate duplicates Z: 55 22.924 1.963 0.691 0.390 0.833 0.463 CB 1.267 55 residues pruned to eliminate duplicates Z: 54 28.021 2.201 0.755 0.366 0.868 0.434 CB 1.326 54 residues pruned to eliminate duplicates Z: 31 19.602 2.014 0.634 0.334 0.933 0.467 CB 1.397 31 residues pruned to eliminate duplicates Z: 62 28.895 2.095 0.763 0.378 0.902 0.574 CB 1.266 62 residues pruned to eliminate duplicates Z: 40 24.157 2.123 0.620 0.365 0.923 0.487 CB 1.409 40 residues pruned to eliminate duplicates Z: 15 11.965 2.051 0.398 0.473 0.857 0.500 CB 1.336 15 residues pruned to eliminate duplicates Z: 65 36.343 2.163 0.860 0.460 0.875 0.562 CB 1.345 65 residues pruned to eliminate duplicates Z: 28 19.048 2.073 0.686 0.446 0.852 0.481 CB 1.302 28 residues pruned to eliminate duplicates Z: 26 27.945 2.117 1.009 0.518 0.880 0.680 CB 1.466 26 residues pruned to eliminate duplicates Z: 53 28.538 2.092 0.778 0.404 0.904 0.577 CB 1.303 53 residues pruned to eliminate duplicates Z: 25 27.534 2.219 0.783 0.508 0.917 0.542 CB 1.537 25 residues pruned to eliminate duplicates Z: 28 21.393 2.112 0.709 0.445 0.889 0.519 CB 1.358 28 residues pruned to eliminate duplicates Z: 93 40.183 2.206 0.664 0.432 0.870 0.598 CB 1.408 93 residues pruned to eliminate duplicates Z: 26 22.247 2.138 0.713 0.454 0.840 0.640 CB 1.516 26 residues pruned to eliminate duplicates Z: 15 11.918 2.079 0.863 0.331 0.857 0.500 CB 1.155 15 residues pruned to eliminate duplicates Z: 56 31.159 2.128 0.786 0.521 0.873 0.527 CB 1.240 56 residues pruned to eliminate duplicates Z: 22 17.826 2.183 0.769 0.312 0.857 0.429 CB 1.448 22 residues pruned to eliminate duplicates Z: 51 30.051 2.136 0.900 0.484 0.860 0.440 CB 1.238 51 residues pruned to eliminate duplicates Z: 16 16.631 2.151 0.767 0.326 0.867 0.400 CA 1.579 16 residues pruned to eliminate duplicates Z: 14 14.635 2.177 0.907 0.321 0.923 0.231 CB 1.291 14 residues pruned to eliminate duplicates Z: 46 31.539 2.277 0.886 0.416 0.844 0.533 CB 1.416 46 residues pruned to eliminate duplicates Z: 12 24.405 2.303 1.049 0.452 1.000 0.636 CB 1.638 12 residues pruned to eliminate duplicates Z: 26 19.850 2.088 0.788 0.418 0.800 0.520 CB 1.448 26 residues pruned to eliminate duplicates Z: 20 25.809 2.252 1.026 0.384 0.947 0.579 CB 1.551 20 residues pruned to eliminate duplicates Z: 115 39.948 2.086 0.717 0.414 0.860 0.456 CB 1.329 115 residues pruned to eliminate duplicates Z: 42 33.136 2.192 0.959 0.471 0.927 0.610 CB 1.339 42 residues pruned to eliminate duplicates Z: 38 25.460 2.096 0.864 0.397 0.892 0.595 CB 1.339 38 residues pruned to eliminate duplicates Z: 21 18.851 2.128 0.833 0.365 0.950 0.450 CB 1.315 21 residues pruned to eliminate duplicates Z: 109 43.780 2.187 0.754 0.418 0.861 0.556 CB 1.388 109 residues pruned to eliminate duplicates Z: 19 17.652 2.065 0.819 0.461 0.889 0.556 CB 1.296 19 residues pruned to eliminate duplicates Z: 79 41.691 2.201 0.769 0.476 0.885 0.462 CB 1.404 79 residues pruned to eliminate duplicates Z: 34 25.591 2.232 1.003 0.432 0.788 0.545 CB 1.357 34 residues pruned to eliminate duplicates Z: 79 40.024 2.193 0.759 0.468 0.885 0.564 CB 1.372 79 residues pruned to eliminate duplicates Z: 69 41.198 2.246 0.957 0.456 0.838 0.529 CB 1.418 69 residues pruned to eliminate duplicates Z: 61 37.445 2.246 0.878 0.457 0.833 0.467 CB 1.438 61 residues pruned to eliminate duplicates Z: 50 38.890 2.308 0.939 0.499 0.857 0.490 CB 1.450 50 residues pruned to eliminate duplicates Z: 75 40.935 2.260 0.847 0.432 0.851 0.541 CB 1.437 75 residues pruned to eliminate duplicates Z: 70 43.041 2.271 0.893 0.445 0.899 0.565 CB 1.419 70 residues pruned to eliminate duplicates Z: 51 38.700 2.329 0.906 0.451 0.860 0.560 CB 1.506 51 residues pruned to eliminate duplicates Z: 48 43.516 2.298 1.002 0.478 0.894 0.596 CB 1.579 48 residues pruned to eliminate duplicates Z: 51 35.657 2.273 0.950 0.467 0.840 0.500 CB 1.401 51 residues pruned to eliminate duplicates Z: 50 35.385 2.259 0.924 0.457 0.898 0.531 CB 1.353 50 residues pruned to eliminate duplicates Z: 51 30.176 2.227 0.899 0.441 0.760 0.440 CB 1.412 51 residues pruned to eliminate duplicates Z: 41 33.688 2.314 0.773 0.455 0.875 0.550 CB 1.554 41 residues pruned to eliminate duplicates Z: 38 22.575 2.129 0.791 0.364 0.811 0.514 CB 1.389 38 residues pruned to eliminate duplicates Z: 60 36.753 2.256 0.779 0.446 0.898 0.508 CB 1.403 60 residues pruned to eliminate duplicates Z: 45 29.056 2.249 0.725 0.444 0.795 0.545 CB 1.503 45 residues pruned to eliminate duplicates Z: 50 36.485 2.257 0.822 0.459 0.878 0.592 CB 1.507 50 residues pruned to eliminate duplicates Z: 84 37.081 2.139 0.734 0.474 0.880 0.482 CB 1.281 84 residues pruned to eliminate duplicates Z: 59 35.151 2.240 0.845 0.455 0.845 0.517 CB 1.385 59 residues pruned to eliminate duplicates Z: 61 34.547 2.234 0.833 0.439 0.867 0.417 CB 1.339 61 residues pruned to eliminate duplicates Z: 58 35.773 2.262 0.787 0.476 0.877 0.456 CB 1.369 58 residues pruned to eliminate duplicates Z: 98 46.476 2.179 0.875 0.441 0.876 0.505 CB 1.401 98 residues pruned to eliminate duplicates Z: 100 44.009 2.184 0.800 0.478 0.859 0.566 CB 1.339 100 residues pruned to eliminate duplicates Z: 29 31.216 2.297 0.930 0.427 0.893 0.607 CB 1.608 29 residues pruned to eliminate duplicates Z: 70 34.982 2.208 0.787 0.444 0.841 0.536 CB 1.345 70 residues pruned to eliminate duplicates Z: 84 40.010 2.211 0.834 0.447 0.843 0.434 CB 1.355 84 residues pruned to eliminate duplicates Z: 47 32.646 2.300 0.826 0.454 0.870 0.500 CB 1.380 47 residues pruned to eliminate duplicates Z: 46 29.510 2.261 0.762 0.435 0.822 0.422 CB 1.437 46 residues pruned to eliminate duplicates Z: 75 43.245 2.220 0.839 0.488 0.892 0.541 CB 1.397 75 residues pruned to eliminate duplicates Z: 57 38.445 2.249 0.902 0.467 0.893 0.482 CB 1.391 57 residues pruned to eliminate duplicates Z: 47 39.139 2.275 0.927 0.467 0.870 0.543 CB 1.564 47 residues pruned to eliminate duplicates Z: 28 30.286 2.268 0.952 0.517 0.926 0.630 CB 1.399 28 residues pruned to eliminate duplicates Z: 51 37.345 2.286 0.871 0.485 0.880 0.580 CB 1.424 51 residues pruned to eliminate duplicates Z: 49 35.845 2.221 0.778 0.462 0.938 0.500 CB 1.452 49 residues pruned to eliminate duplicates Z: 50 37.177 2.229 0.968 0.488 0.837 0.551 CB 1.464 50 residues pruned to eliminate duplicates Z: 30 33.842 2.203 1.053 0.518 0.862 0.655 CB 1.583 30 residues pruned to eliminate duplicates Z: 60 39.029 2.159 0.887 0.481 0.881 0.593 CB 1.442 60 residues pruned to eliminate duplicates Z: 28 23.587 2.123 0.813 0.489 0.926 0.519 CB 1.288 28 residues pruned to eliminate duplicates Z: 50 38.686 2.208 0.917 0.475 0.918 0.531 CB 1.459 50 residues pruned to eliminate duplicates Z: 23 16.162 2.079 0.790 0.401 0.864 0.500 CB 1.190 23 residues pruned to eliminate duplicates Z: 23 16.160 2.068 0.914 0.375 0.773 0.500 CB 1.287 23 residues pruned to eliminate duplicates Z: 51 36.045 2.245 0.895 0.494 0.860 0.520 CB 1.401 51 residues pruned to eliminate duplicates Z: 73 36.394 2.247 0.853 0.433 0.806 0.583 CB 1.371 73 residues pruned to eliminate duplicates Z: 66 39.721 2.178 0.816 0.501 0.923 0.492 CB 1.348 66 residues pruned to eliminate duplicates Z: 46 36.342 2.219 1.008 0.492 0.911 0.533 CB 1.345 46 residues pruned to eliminate duplicates Z: 50 40.952 2.274 0.887 0.500 0.898 0.551 CB 1.518 50 residues pruned to eliminate duplicates Z: 28 23.843 2.147 0.932 0.444 0.852 0.481 CB 1.376 28 residues pruned to eliminate duplicates Z: 37 30.869 2.257 0.917 0.519 0.861 0.500 CB 1.355 37 residues pruned to eliminate duplicates Z: 25 21.190 2.141 0.845 0.464 0.792 0.583 CB 1.435 25 residues pruned to eliminate duplicates Z: 103 43.981 2.132 0.808 0.467 0.892 0.539 CB 1.309 103 residues pruned to eliminate duplicates Z: 60 37.907 2.235 0.813 0.436 0.898 0.508 CB 1.447 60 residues pruned to eliminate duplicates Z: 70 41.199 2.226 0.882 0.434 0.899 0.493 CB 1.410 70 residues pruned to eliminate duplicates Z: 59 31.477 2.205 0.776 0.456 0.810 0.483 CB 1.362 59 residues pruned to eliminate duplicates Z: 13 8.560 1.918 0.647 0.550 0.667 0.250 CB 1.117 13 residues pruned to eliminate duplicates Z: 17 12.163 1.963 0.420 0.550 0.875 0.562 CB 1.187 17 residues pruned to eliminate duplicates Z: 20 14.794 1.930 0.777 0.543 0.789 0.421 CB 1.202 20 residues pruned to eliminate duplicates Z: 40 22.565 2.012 0.779 0.520 0.846 0.564 CB 1.170 40 residues pruned to eliminate duplicates Z: 11 10.139 1.948 0.645 0.590 0.800 0.500 CA 1.148 11 residues pruned to eliminate duplicates Z: 13 8.760 1.852 0.439 0.454 0.917 0.417 CB 1.085 13 residues pruned to eliminate duplicates Z: 18 11.790 1.934 0.481 0.647 0.824 0.647 CB 1.057 18 residues pruned to eliminate duplicates Z: 12 12.639 1.904 0.659 0.731 1.000 0.273 CB 0.980 12 residues pruned to eliminate duplicates Z: 10 11.283 1.912 0.421 0.776 1.000 0.556 CB 1.085 10 residues pruned to eliminate duplicates Z: 12 12.141 1.896 0.707 0.692 1.000 0.727 CB 0.949 12 residues pruned to eliminate duplicates Z: 9 13.253 1.898 0.687 0.905 1.000 0.500 CB 1.042 9 residues pruned to eliminate duplicates Z: 11 9.115 1.789 0.476 0.626 0.900 0.700 CB 1.077 11 residues pruned to eliminate duplicates Z: 71 24.739 1.949 0.647 0.451 0.829 0.529 CB 1.169 71 residues pruned to eliminate duplicates Z: 10 9.610 1.956 0.467 0.760 0.778 0.667 CB 1.139 10 residues pruned to eliminate duplicates Z: 9 12.380 1.935 0.676 0.775 1.000 0.750 CB 1.059 9 residues pruned to eliminate duplicates Z: 10 12.698 1.869 0.751 0.789 0.889 0.778 CB 1.129 10 residues pruned to eliminate duplicates Z: 8 7.435 1.597 0.332 0.557 1.000 0.857 CB 1.249 Z: 6 3.893 1.477 0.304 0.486 1.000 0.600 CA 0.916 6 residues pruned to eliminate duplicates Z: 38 24.104 1.966 0.628 0.460 0.865 0.568 CB 1.491 92 residues pruned to eliminate duplicates Z: 38 24.709 2.034 0.658 0.380 0.865 0.541 CB 1.582 38 residues pruned to eliminate duplicates Z: 72 40.775 2.093 0.697 0.480 0.901 0.662 CB 1.543 72 residues pruned to eliminate duplicates Z: 52 34.663 2.085 0.708 0.486 0.922 0.569 CB 1.500 52 residues pruned to eliminate duplicates Z: 36 24.081 2.029 0.628 0.385 0.886 0.600 CB 1.573 36 residues pruned to eliminate duplicates Z: 44 21.859 2.001 0.547 0.371 0.814 0.581 CA 1.520 44 residues pruned to eliminate duplicates Z: 46 25.039 1.978 0.649 0.406 0.889 0.556 CB 1.420 46 residues pruned to eliminate duplicates Z: 34 23.518 2.080 0.621 0.359 0.879 0.455 CA 1.608 7 residues pruned to eliminate duplicates Z: 30 20.075 1.892 0.780 0.408 0.862 0.379 CB 1.414 30 residues pruned to eliminate duplicates Z: 35 24.835 2.074 0.580 0.460 0.853 0.588 CB 1.587 35 residues pruned to eliminate duplicates Z: 42 26.732 2.028 0.654 0.393 0.878 0.561 CB 1.588 42 residues pruned to eliminate duplicates Z: 46 22.965 1.949 0.626 0.381 0.844 0.533 CB 1.452 46 residues pruned to eliminate duplicates Z: 36 26.494 2.064 0.745 0.386 0.886 0.571 CB 1.585 36 residues pruned to eliminate duplicates Z: 27 24.601 2.141 0.702 0.370 0.923 0.615 CA 1.649 27 residues pruned to eliminate duplicates Z: 34 22.927 2.011 0.648 0.369 0.909 0.515 CA 1.525 34 residues pruned to eliminate duplicates Z: 36 30.956 2.043 0.863 0.472 0.943 0.657 CB 1.500 34 residues pruned to eliminate duplicates Z: 7 10.322 2.027 0.806 0.453 0.833 0.667 CA 1.449 7 residues pruned to eliminate duplicates Z: 49 30.470 1.975 0.697 0.478 0.917 0.625 CB 1.465 49 residues pruned to eliminate duplicates Z: 41 24.080 1.963 0.528 0.454 0.900 0.650 CB 1.478 41 residues pruned to eliminate duplicates Z: 52 25.709 1.929 0.511 0.452 0.902 0.588 CA 1.438 52 residues pruned to eliminate duplicates Z: 100 39.442 2.041 0.632 0.428 0.909 0.586 CB 1.410 100 residues pruned to eliminate duplicates Z: 36 26.951 2.037 0.681 0.406 0.914 0.600 CA 1.606 36 residues pruned to eliminate duplicates Z: 38 27.138 1.999 0.695 0.437 0.919 0.622 CB 1.529 38 residues pruned to eliminate duplicates Z: 40 25.389 1.966 0.628 0.487 0.872 0.692 CB 1.476 40 residues pruned to eliminate duplicates Z: 43 24.437 1.930 0.548 0.469 0.905 0.548 CB 1.439 39 residues pruned to eliminate duplicates Z: 6 2.677 1.145 0.332 0.472 1.000 0.600 CA 0.807 6 residues pruned to eliminate duplicates Z: 16 27.963 2.125 0.960 0.600 0.933 0.667 CB 1.688 17 residues pruned to eliminate duplicates Z: 11 7.638 1.563 0.571 0.688 1.000 0.800 CB 0.828 11 residues pruned to eliminate duplicates Z: 15 8.289 1.568 0.856 0.640 0.929 0.571 CB 0.719 14 residues pruned to eliminate duplicates Z: 8 5.382 1.694 0.648 0.887 1.000 0.857 CB 0.525 8 residues pruned to eliminate duplicates Z: 18 10.604 1.684 0.549 0.745 0.941 0.647 CB 0.842 19 residues pruned to eliminate duplicates Z: 7 6.299 1.637 0.601 0.840 1.000 0.500 CB 0.733 7 residues pruned to eliminate duplicates Z: 17 10.592 1.728 0.668 0.697 0.875 0.688 CB 0.878 17 residues pruned to eliminate duplicates Z: 9 8.980 1.638 0.706 0.902 1.000 0.875 CB 0.811 8 residues pruned to eliminate duplicates Z: 8 5.320 1.603 0.430 0.865 1.000 0.429 CB 0.643 8 residues pruned to eliminate duplicates Z: 14 8.888 1.840 0.321 0.503 0.846 0.538 CA 1.195 17 residues pruned to eliminate duplicates Z: 6 3.340 1.349 0.451 0.358 1.000 0.800 C 0.890 6 residues pruned to eliminate duplicates Z: 15 11.895 1.848 0.509 0.507 0.929 0.429 CA 1.219 15 residues pruned to eliminate duplicates Z: 14 12.757 1.853 0.672 0.578 0.846 0.615 CA 1.251 17 residues pruned to eliminate duplicates Z: 8 8.136 1.634 0.624 0.666 0.714 0.429 CB 1.391 8 residues pruned to eliminate duplicates Z: 42 27.165 2.005 0.715 0.462 0.854 0.610 CA 1.502 42 residues pruned to eliminate duplicates Z: 26 18.755 1.908 0.688 0.423 0.920 0.440 CA 1.372 26 residues pruned to eliminate duplicates Z: 61 29.413 2.010 0.597 0.430 0.917 0.450 CB 1.388 61 residues pruned to eliminate duplicates Z: 38 28.402 2.016 0.785 0.407 0.946 0.541 CB 1.513 38 residues pruned to eliminate duplicates Z: 25 16.042 1.859 0.623 0.441 0.833 0.542 CB 1.384 25 residues pruned to eliminate duplicates Z: 36 25.000 2.011 0.692 0.417 0.886 0.457 CB 1.528 36 residues pruned to eliminate duplicates Z: 37 26.393 2.029 0.680 0.436 0.889 0.528 CB 1.551 37 residues pruned to eliminate duplicates Z: 59 32.298 2.028 0.815 0.376 0.914 0.483 CB 1.439 59 residues pruned to eliminate duplicates Z: 13 11.058 2.058 0.550 0.379 0.667 0.667 CA 1.709 13 residues pruned to eliminate duplicates Z: 62 29.878 2.017 0.691 0.422 0.869 0.557 CB 1.400 62 residues pruned to eliminate duplicates Z: 78 35.714 1.962 0.722 0.431 0.909 0.571 CB 1.424 78 residues pruned to eliminate duplicates Z: 73 37.904 2.036 0.777 0.438 0.931 0.542 CB 1.414 73 residues pruned to eliminate duplicates Z: 29 23.292 2.089 0.677 0.397 0.893 0.679 CB 1.568 29 residues pruned to eliminate duplicates Z: 30 25.253 2.032 0.748 0.454 0.897 0.621 CA 1.543 30 residues pruned to eliminate duplicates Z: 36 25.249 2.042 0.794 0.411 0.829 0.486 CA 1.544 36 residues pruned to eliminate duplicates Z: 30 25.963 2.026 0.832 0.429 0.897 0.517 CB 1.560 30 residues pruned to eliminate duplicates Z: 35 23.895 2.066 0.604 0.446 0.853 0.735 CB 1.533 35 residues pruned to eliminate duplicates Z: 35 23.368 1.991 0.661 0.375 0.882 0.529 CA 1.569 35 residues pruned to eliminate duplicates Z: 59 33.979 2.068 0.725 0.426 0.914 0.586 CB 1.479 59 residues pruned to eliminate duplicates Z: 79 34.422 2.051 0.656 0.430 0.910 0.564 CB 1.356 79 residues pruned to eliminate duplicates Z: 39 26.585 2.031 0.589 0.487 0.868 0.684 CB 1.560 39 residues pruned to eliminate duplicates Z: 40 27.870 2.023 0.738 0.454 0.923 0.667 CA 1.442 40 residues pruned to eliminate duplicates Z: 39 26.495 1.971 0.756 0.436 0.947 0.579 CB 1.401 39 residues pruned to eliminate duplicates Z: 51 33.891 2.047 0.900 0.428 0.880 0.560 CB 1.509 51 residues pruned to eliminate duplicates Z: 39 32.395 2.063 0.800 0.478 0.895 0.684 CB 1.617 39 residues pruned to eliminate duplicates Z: 31 28.044 2.063 0.914 0.502 0.900 0.633 CB 1.439 31 residues pruned to eliminate duplicates Z: 61 35.455 2.046 0.771 0.477 0.883 0.633 CB 1.464 61 residues pruned to eliminate duplicates Z: 30 25.876 2.039 0.746 0.479 0.862 0.690 CA 1.599 30 residues pruned to eliminate duplicates Z: 15 21.512 2.062 0.946 0.619 0.857 0.714 CA 1.495 15 residues pruned to eliminate duplicates Z: 29 23.368 2.041 0.746 0.460 0.857 0.679 CA 1.505 29 residues pruned to eliminate duplicates Z: 60 35.849 2.078 0.819 0.453 0.881 0.593 CB 1.470 60 residues pruned to eliminate duplicates Z: 43 27.814 2.052 0.833 0.471 0.857 0.524 CB 1.371 43 residues pruned to eliminate duplicates Z: 27 28.891 2.118 1.135 0.467 0.846 0.500 CB 1.531 27 residues pruned to eliminate duplicates Z: 92 36.063 2.032 0.624 0.469 0.890 0.505 CB 1.328 92 residues pruned to eliminate duplicates Z: 35 23.093 2.053 0.814 0.480 0.824 0.441 CB 1.318 35 residues pruned to eliminate duplicates Z: 59 28.288 1.912 0.839 0.459 0.897 0.534 CB 1.228 59 residues pruned to eliminate duplicates Z: 29 25.450 2.028 0.946 0.515 0.821 0.500 CB 1.462 29 residues pruned to eliminate duplicates Z: 60 37.537 2.065 0.866 0.434 0.915 0.593 CB 1.483 60 residues pruned to eliminate duplicates Z: 93 41.286 1.985 0.809 0.468 0.902 0.587 CB 1.372 93 residues pruned to eliminate duplicates Z: 21 19.843 2.077 0.934 0.413 0.950 0.500 CB 1.273 21 residues pruned to eliminate duplicates Z: 19 18.354 2.003 0.840 0.463 0.889 0.556 CB 1.372 19 residues pruned to eliminate duplicates Z: 17 21.546 2.169 0.689 0.451 1.000 0.438 CB 1.546 17 residues pruned to eliminate duplicates Z: 54 23.027 2.025 0.606 0.425 0.849 0.491 CB 1.239 54 residues pruned to eliminate duplicates Z: 36 24.318 2.092 0.875 0.438 0.800 0.571 CB 1.396 36 residues pruned to eliminate duplicates Z: 34 29.611 2.100 0.910 0.455 0.909 0.606 CB 1.481 34 residues pruned to eliminate duplicates Z: 19 22.370 2.129 0.946 0.446 0.944 0.444 CB 1.424 19 residues pruned to eliminate duplicates Z: 21 16.949 2.080 0.885 0.404 0.900 0.500 CB 1.188 21 residues pruned to eliminate duplicates Z: 18 18.514 2.104 0.891 0.474 0.882 0.471 CB 1.314 18 residues pruned to eliminate duplicates Z: 67 33.854 2.066 0.756 0.456 0.833 0.606 CB 1.442 67 residues pruned to eliminate duplicates Z: 61 29.945 2.019 0.654 0.446 0.850 0.583 CB 1.440 61 residues pruned to eliminate duplicates Z: 21 22.347 2.050 1.017 0.485 0.950 0.650 CB 1.292 21 residues pruned to eliminate duplicates Z: 35 22.431 1.980 0.682 0.503 0.912 0.559 CB 1.263 35 residues pruned to eliminate duplicates Z: 23 19.797 2.014 0.909 0.421 0.864 0.455 CB 1.381 23 residues pruned to eliminate duplicates Z: 13 5.769 1.739 0.505 0.360 0.750 0.500 CB 0.987 13 residues pruned to eliminate duplicates Z: 38 14.909 1.911 0.491 0.445 0.838 0.432 CB 1.086 38 residues pruned to eliminate duplicates Z: 44 21.642 2.018 0.687 0.435 0.860 0.535 CB 1.205 44 residues pruned to eliminate duplicates Z: 22 8.595 1.905 0.493 0.394 0.857 0.333 CB 0.860 22 residues pruned to eliminate duplicates Z: 35 17.187 1.961 0.645 0.428 0.824 0.441 CB 1.196 35 residues pruned to eliminate duplicates Z: 24 14.016 1.992 0.554 0.450 0.826 0.609 CB 1.204 24 residues pruned to eliminate duplicates Z: 24 10.475 1.944 0.402 0.407 0.783 0.652 CB 1.128 24 residues pruned to eliminate duplicates Z: 8 8.570 1.914 0.616 0.384 0.857 0.714 CB 1.381 8 residues pruned to eliminate duplicates Z: 23 12.339 1.986 0.434 0.450 0.864 0.500 CB 1.125 23 residues pruned to eliminate duplicates Z: 26 11.740 2.018 0.356 0.502 0.720 0.480 CB 1.189 26 residues pruned to eliminate duplicates Z: 55 22.365 2.028 0.543 0.451 0.870 0.519 CB 1.175 55 residues pruned to eliminate duplicates Z: 19 12.802 2.011 0.443 0.458 0.833 0.667 CB 1.303 19 residues pruned to eliminate duplicates Z: 22 11.278 1.982 0.364 0.416 0.810 0.524 CB 1.228 22 residues pruned to eliminate duplicates Z: 24 14.512 1.983 0.525 0.442 0.826 0.435 CB 1.286 24 residues pruned to eliminate duplicates Z: 30 18.499 2.038 0.496 0.473 0.897 0.483 CB 1.292 30 residues pruned to eliminate duplicates Z: 30 17.239 2.032 0.516 0.487 0.862 0.414 CB 1.221 30 residues pruned to eliminate duplicates Z: 32 16.675 1.979 0.393 0.477 0.903 0.516 CB 1.231 32 residues pruned to eliminate duplicates Z: 31 18.564 2.009 0.538 0.521 0.867 0.500 CB 1.239 31 residues pruned to eliminate duplicates Z: 31 17.258 2.031 0.474 0.489 0.867 0.533 CB 1.227 31 residues pruned to eliminate duplicates Z: 17 20.265 2.105 0.617 0.638 1.000 0.562 CB 1.308 17 residues pruned to eliminate duplicates Z: 17 19.033 2.121 0.716 0.589 0.938 0.562 CB 1.280 17 residues pruned to eliminate duplicates Z: 19 20.249 2.027 0.781 0.549 1.000 0.611 CB 1.261 19 residues pruned to eliminate duplicates Z: 19 15.821 2.003 0.447 0.585 0.944 0.500 CB 1.256 19 residues pruned to eliminate duplicates Z: 33 18.712 2.038 0.623 0.523 0.781 0.500 CB 1.251 33 residues pruned to eliminate duplicates Z: 31 20.710 2.038 0.603 0.484 0.933 0.433 CB 1.260 31 residues pruned to eliminate duplicates Z: 19 16.714 2.014 0.671 0.512 0.889 0.444 CB 1.302 19 residues pruned to eliminate duplicates Z: 18 14.477 2.044 0.743 0.466 0.706 0.353 CB 1.446 18 residues pruned to eliminate duplicates Z: 18 20.458 2.066 0.738 0.543 1.000 0.471 CB 1.324 18 residues pruned to eliminate duplicates Z: 30 19.390 2.016 0.587 0.489 0.966 0.483 CB 1.178 30 residues pruned to eliminate duplicates Z: 49 20.965 1.905 0.593 0.469 0.875 0.438 CB 1.176 49 residues pruned to eliminate duplicates Z: 10 6.736 1.876 0.527 0.549 0.778 0.222 CB 0.960 10 residues pruned to eliminate duplicates Z: 10 7.636 1.983 0.538 0.563 0.778 0.333 CB 1.009 10 residues pruned to eliminate duplicates Z: 14 9.801 1.975 0.415 0.517 0.769 0.462 CB 1.244 14 residues pruned to eliminate duplicates Z: 30 19.894 2.037 0.452 0.478 0.966 0.552 CB 1.323 30 residues pruned to eliminate duplicates Z: 14 14.316 1.913 0.487 0.558 1.000 0.615 CB 1.319 14 residues pruned to eliminate duplicates Z: 31 19.602 1.986 0.500 0.516 0.933 0.467 CB 1.267 31 residues pruned to eliminate duplicates Z: 15 8.550 1.658 0.386 0.481 0.929 0.500 CB 1.092 15 residues pruned to eliminate duplicates Z: 33 19.274 1.959 0.441 0.491 0.938 0.500 CB 1.299 33 residues pruned to eliminate duplicates Z: 49 22.577 1.984 0.497 0.493 0.896 0.521 CB 1.233 49 residues pruned to eliminate duplicates Z: 30 17.557 2.019 0.539 0.467 0.828 0.483 CB 1.312 30 residues pruned to eliminate duplicates Z: 15 10.144 1.804 0.497 0.441 0.857 0.643 CB 1.244 15 residues pruned to eliminate duplicates Z: 50 20.732 1.984 0.422 0.445 0.878 0.469 CB 1.266 50 residues pruned to eliminate duplicates Z: 55 21.963 1.957 0.423 0.451 0.889 0.463 CB 1.271 55 residues pruned to eliminate duplicates Z: 20 13.947 1.922 0.673 0.462 0.895 0.632 CB 1.157 20 residues pruned to eliminate duplicates Z: 24 18.306 2.069 0.477 0.511 0.870 0.522 CB 1.421 24 residues pruned to eliminate duplicates Z: 26 15.596 2.042 0.456 0.469 0.840 0.400 CB 1.290 26 residues pruned to eliminate duplicates Z: 42 23.436 2.049 0.513 0.475 0.878 0.512 CB 1.380 42 residues pruned to eliminate duplicates Z: 30 21.089 2.047 0.530 0.513 0.966 0.552 CB 1.278 30 residues pruned to eliminate duplicates Z: 29 20.982 2.037 0.566 0.517 0.857 0.607 CB 1.426 29 residues pruned to eliminate duplicates Z: 25 16.529 1.987 0.501 0.423 0.833 0.542 CB 1.471 25 residues pruned to eliminate duplicates Z: 24 19.462 1.966 0.680 0.534 0.913 0.478 CB 1.301 24 residues pruned to eliminate duplicates Z: 30 19.258 2.021 0.520 0.476 0.897 0.448 CB 1.331 30 residues pruned to eliminate duplicates Z: 24 18.111 1.897 0.711 0.521 0.870 0.565 CB 1.311 24 residues pruned to eliminate duplicates Z: 30 22.962 2.029 0.631 0.499 0.966 0.517 CB 1.337 30 residues pruned to eliminate duplicates Z: 6 5.680 1.651 0.829 0.246 1.000 0.400 CA 1.128 6 residues pruned to eliminate duplicates Z: 28 18.784 2.043 0.422 0.449 0.889 0.630 CB 1.475 28 residues pruned to eliminate duplicates Z: 33 16.447 1.928 0.516 0.468 0.844 0.531 CB 1.218 33 residues pruned to eliminate duplicates Z: 19 9.747 1.749 0.588 0.391 0.833 0.389 CB 1.113 19 residues pruned to eliminate duplicates Z: 22 19.180 1.990 0.687 0.532 0.857 0.333 CB 1.409 22 residues pruned to eliminate duplicates Z: 54 23.772 1.969 0.533 0.455 0.887 0.472 CB 1.278 54 residues pruned to eliminate duplicates Z: 55 24.336 1.941 0.577 0.481 0.889 0.537 CB 1.240 55 residues pruned to eliminate duplicates Z: 39 23.679 1.969 0.648 0.511 0.895 0.579 CB 1.309 39 residues pruned to eliminate duplicates Z: 53 20.709 1.950 0.528 0.453 0.846 0.481 CB 1.196 53 residues pruned to eliminate duplicates Z: 31 13.181 1.770 0.529 0.372 0.867 0.367 CB 1.177 31 residues pruned to eliminate duplicates Z: 54 23.922 1.957 0.516 0.474 0.906 0.528 CB 1.255 54 residues pruned to eliminate duplicates Z: 34 18.044 1.885 0.567 0.464 0.909 0.545 CB 1.213 34 residues pruned to eliminate duplicates Z: 26 14.375 1.911 0.416 0.484 0.920 0.640 CB 1.174 26 residues pruned to eliminate duplicates Z: 47 26.833 1.989 0.572 0.517 0.935 0.565 CB 1.331 47 residues pruned to eliminate duplicates Z: 23 13.299 1.916 0.432 0.435 0.864 0.318 CB 1.281 23 residues pruned to eliminate duplicates Z: 16 15.145 1.962 0.618 0.536 0.933 0.600 CB 1.275 16 residues pruned to eliminate duplicates Z: 56 24.649 1.955 0.523 0.460 0.945 0.491 CB 1.231 56 residues pruned to eliminate duplicates Z: 17 15.409 1.978 0.473 0.516 0.938 0.500 CB 1.388 17 residues pruned to eliminate duplicates Z: 22 12.877 1.907 0.587 0.402 0.905 0.476 CB 1.137 22 residues pruned to eliminate duplicates Z: 30 14.505 1.903 0.492 0.507 0.828 0.483 CB 1.138 30 residues pruned to eliminate duplicates Z: 33 26.753 2.058 0.600 0.568 0.969 0.594 CB 1.388 33 residues pruned to eliminate duplicates Z: 16 14.406 2.045 0.543 0.490 0.933 0.667 CB 1.276 16 residues pruned to eliminate duplicates Z: 22 15.522 1.925 0.622 0.423 0.905 0.619 CB 1.299 22 residues pruned to eliminate duplicates Z: 22 13.777 1.966 0.647 0.440 0.857 0.476 CB 1.153 22 residues pruned to eliminate duplicates Z: 23 16.116 1.959 0.735 0.444 0.909 0.545 CB 1.177 23 residues pruned to eliminate duplicates Z: 25 13.802 1.814 0.595 0.458 0.875 0.458 CB 1.161 25 residues pruned to eliminate duplicates Z: 14 9.013 1.826 0.426 0.541 0.846 0.538 CB 1.089 14 residues pruned to eliminate duplicates Z: 13 6.513 1.630 0.654 0.499 0.750 0.333 CB 0.931 13 residues pruned to eliminate duplicates Z: 18 12.835 1.765 0.845 0.660 0.882 0.529 CB 0.934 18 residues pruned to eliminate duplicates Z: 46 22.331 1.943 0.629 0.511 0.844 0.511 CB 1.232 46 residues pruned to eliminate duplicates Z: 11 8.185 1.813 0.487 0.563 0.900 0.500 CB 1.004 11 residues pruned to eliminate duplicates Z: 18 14.638 1.740 0.664 0.736 0.941 0.706 CB 1.054 18 residues pruned to eliminate duplicates Z: 13 9.079 1.509 0.459 0.688 1.000 0.833 CB 1.002 13 residues pruned to eliminate duplicates Z: 10 6.909 1.724 0.230 0.738 0.889 0.889 CB 0.986 10 residues pruned to eliminate duplicates Z: 17 12.297 1.776 0.681 0.722 0.875 0.750 CB 0.963 17 residues pruned to eliminate duplicates Z: 12 8.730 1.710 0.516 0.698 0.909 0.727 CB 0.932 12 residues pruned to eliminate duplicates Z: 15 9.443 1.611 0.312 0.616 1.000 0.429 CB 1.069 15 residues pruned to eliminate duplicates Z: 19 14.162 1.760 0.588 0.764 0.889 0.500 CB 1.063 19 residues pruned to eliminate duplicates Z: 34 22.056 1.875 0.793 0.533 0.879 0.636 CB 1.257 34 residues pruned to eliminate duplicates Z: 14 9.329 1.633 0.591 0.652 0.923 0.538 CB 0.936 14 residues pruned to eliminate duplicates Z: 9 10.211 1.727 0.375 0.862 1.000 0.750 N 1.116 9 residues pruned to eliminate duplicates Z: 33 28.669 2.174 0.894 0.413 0.906 0.469 CB 1.488 33 residues pruned to eliminate duplicates Z: 96 41.535 2.205 0.726 0.446 0.895 0.505 CB 1.323 90 residues pruned to eliminate duplicates Z: 6 3.275 1.802 0.379 0.350 0.600 0.400 CA 1.156 Z: 7 4.066 1.598 0.539 0.388 0.833 0.167 CB 0.912 13 residues pruned to eliminate duplicates Z: 40 34.380 2.233 0.898 0.475 0.897 0.615 CB 1.485 40 residues pruned to eliminate duplicates Z: 39 33.343 2.152 1.089 0.419 0.868 0.447 CB 1.507 39 residues pruned to eliminate duplicates Z: 48 24.656 2.075 0.722 0.387 0.830 0.489 CB 1.367 47 residues pruned to eliminate duplicates Z: 6 3.526 1.692 0.665 0.300 0.600 0.600 CA 1.166 Z: 7 6.848 1.386 1.187 0.464 1.000 0.167 C 0.957 7 residues pruned to eliminate duplicates Z: 20 27.425 2.229 0.893 0.461 1.000 0.474 CB 1.552 20 residues pruned to eliminate duplicates Z: 24 19.221 2.085 0.994 0.335 0.783 0.391 CB 1.476 24 residues pruned to eliminate duplicates Z: 36 26.418 2.043 0.832 0.439 0.914 0.571 CB 1.390 36 residues pruned to eliminate duplicates Z: 33 25.160 2.105 0.749 0.442 0.844 0.531 CB 1.519 33 residues pruned to eliminate duplicates Z: 33 25.846 2.118 0.654 0.435 0.906 0.531 CB 1.538 33 residues pruned to eliminate duplicates Z: 20 27.622 2.321 0.985 0.440 0.947 0.474 CB 1.545 20 residues pruned to eliminate duplicates Z: 34 28.648 2.132 0.912 0.469 0.879 0.485 CB 1.437 34 residues pruned to eliminate duplicates Z: 10 15.599 2.126 1.169 0.355 0.889 0.444 CB 1.485 10 residues pruned to eliminate duplicates Z: 15 13.960 2.215 0.591 0.443 0.857 0.500 CB 1.310 15 residues pruned to eliminate duplicates Z: 53 27.335 2.251 0.493 0.446 0.885 0.500 CB 1.348 53 residues pruned to eliminate duplicates Z: 31 29.516 2.209 0.954 0.449 0.867 0.500 CB 1.518 31 residues pruned to eliminate duplicates Z: 49 38.539 2.233 0.937 0.480 0.896 0.583 CB 1.465 56 residues pruned to eliminate duplicates 6 1.878 1.305 0.589 0.289 0.800 0.400 CA 0.641 ? Z: 6 8.308 1.953 0.847 0.441 0.800 0.400 CA 1.369 Z: 6 6.913 1.720 0.697 0.422 1.000 0.600 CB 1.148 6 residues pruned to eliminate duplicates Z: 50 33.633 2.221 0.710 0.461 0.898 0.531 CB 1.466 24 residues pruned to eliminate duplicates Z: 6 4.402 1.696 0.803 0.344 0.800 0.400 CB 0.953 6 residues pruned to eliminate duplicates Z: 48 34.061 2.233 0.805 0.501 0.851 0.532 CB 1.447 48 residues pruned to eliminate duplicates Z: 66 31.054 2.171 0.550 0.498 0.862 0.600 CB 1.331 66 residues pruned to eliminate duplicates Z: 29 29.685 2.310 0.740 0.516 0.893 0.500 CB 1.538 29 residues pruned to eliminate duplicates Z: 18 17.528 2.248 0.973 0.415 0.824 0.529 CB 1.271 18 residues pruned to eliminate duplicates Z: 24 19.779 2.228 0.586 0.373 0.826 0.478 CB 1.617 24 residues pruned to eliminate duplicates Z: 60 31.975 2.220 0.742 0.417 0.831 0.475 CB 1.413 60 residues pruned to eliminate duplicates Z: 27 28.234 2.219 0.780 0.446 0.885 0.500 CB 1.675 17 residues pruned to eliminate duplicates Z: 6 5.870 1.756 0.639 0.490 0.800 0.600 CB 1.152 6 residues pruned to eliminate duplicates Z: 37 32.824 2.225 0.788 0.502 0.889 0.583 CB 1.545 37 residues pruned to eliminate duplicates Z: 68 33.370 2.209 0.644 0.505 0.836 0.567 CB 1.337 34 residues pruned to eliminate duplicates Z: 6 6.663 1.671 0.861 0.489 0.800 0.200 O 1.211 Z: 6 3.300 1.676 0.527 0.309 1.000 0.600 CA 0.713 Z: 6 5.226 1.833 0.181 0.417 1.000 0.600 CA 1.177 Z: 8 6.219 1.891 0.337 0.358 1.000 0.571 CB 1.084 14 residues pruned to eliminate duplicates Z: 45 25.348 2.059 0.652 0.557 0.909 0.523 CB 1.168 55 residues pruned to eliminate duplicates Z: 7 7.279 1.669 1.043 0.427 0.833 0.667 CA 1.128 Z: 6 4.598 1.694 0.860 0.233 0.800 0.400 CA 1.112 6 residues pruned to eliminate duplicates Z: 12 10.718 2.054 0.663 0.382 0.727 0.364 CB 1.476 12 residues pruned to eliminate duplicates Z: 10 7.720 1.993 0.707 0.402 0.778 0.444 CB 1.079 10 residues pruned to eliminate duplicates Z: 32 25.056 2.195 0.803 0.445 0.871 0.387 CB 1.382 32 residues pruned to eliminate duplicates Z: 36 22.126 2.020 0.668 0.501 0.886 0.486 CB 1.253 45 residues pruned to eliminate duplicates Z: 8 6.065 1.792 0.698 0.453 0.714 0.429 CB 1.107 8 residues pruned to eliminate duplicates Z: 19 11.599 1.847 0.219 0.706 0.889 0.556 CB 1.132 19 residues pruned to eliminate duplicates Z: 17 16.029 1.938 0.639 0.710 0.875 0.750 CB 1.192 17 residues pruned to eliminate duplicates Z: 6 3.071 1.544 0.122 0.525 0.800 0.600 CB 0.967 6 residues pruned to eliminate duplicates Z: 11 7.237 1.624 0.530 0.489 0.900 0.600 CA 1.035 11 residues pruned to eliminate duplicates Z: 24 17.377 1.925 0.611 0.533 0.826 0.565 CB 1.369 24 residues pruned to eliminate duplicates Z: 11 11.056 1.749 0.458 0.651 1.000 0.700 CB 1.191 11 residues pruned to eliminate duplicates Z: 18 13.104 1.834 0.544 0.603 0.824 0.471 CB 1.236 18 residues pruned to eliminate duplicates Z: 28 14.699 1.860 0.490 0.485 0.889 0.519 CB 1.166 28 residues pruned to eliminate duplicates Z: 16 10.707 1.661 0.416 0.636 0.867 0.667 CB 1.194 16 residues pruned to eliminate duplicates Z: 12 10.198 1.806 0.392 0.683 0.909 0.545 CB 1.137 12 residues pruned to eliminate duplicates Z: 9 6.554 1.677 0.735 0.556 0.750 0.750 CB 1.005 7 residues pruned to eliminate duplicates Z: 9 13.367 1.726 1.058 0.874 1.000 0.625 CB 0.968 9 residues pruned to eliminate duplicates 473 residues left after pruning, divided into chains as follows: A: 135 B: 33 C: 125 D: 65 E: 22 F: 66 G: 27 CC for partial structure against native data = 41.32 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.386, Connect. = 0.686 for dens.mod. cycle 1 = 0.300, Contrast = 0.444, Connect. = 0.714 for dens.mod. cycle 2 = 0.300, Contrast = 0.531, Connect. = 0.748 for dens.mod. cycle 3 = 0.300, Contrast = 0.541, Connect. = 0.751 for dens.mod. cycle 4 = 0.300, Contrast = 0.551, Connect. = 0.753 for dens.mod. cycle 5 = 0.300, Contrast = 0.556, Connect. = 0.755 for dens.mod. cycle 6 = 0.300, Contrast = 0.561, Connect. = 0.756 for dens.mod. cycle 7 = 0.300, Contrast = 0.563, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.565, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.566, Connect. = 0.759 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.10 - 3.26 - 2.85 - 2.59 - 2.40 - 2.26 - 2.15 - 2.05 - 1.97 - 1.91 0.725 0.726 0.684 0.684 0.686 0.695 0.696 0.675 0.668 0.641 0.922 0.914 0.889 0.888 0.887 0.891 0.885 0.872 0.863 0.823 N 4339 4284 4302 4299 4417 4320 4216 4612 4487 3771 Estimated mean FOM = 0.689 Pseudo-free CC = 71.39 % Best trace (cycle 3 with CC 41.45%) was saved as ./2f4p-1.9-parrot-mrncs/2f4p-1.9-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.4 - Setup, data input and phasing 7.7 - FFTs and peak-searches 12.6 - Sphere of influence 0.4 - Rest of density modification 0.0 - Alpha-helix search 1178.0 - Tripeptide search 11816.3 - Chain tracing 0.0 - NCS analysis 42.2 - B-value refinement for trace 0.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 00:35:28 Total time: 13057.96 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 218.71 Used memory is bytes: 20638608