NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
595670 | 2n0e | 25522 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -2.133 10.299 1.763 2 H2 GLY 1 H2 GLY 1 -1.415 11.575 1.040 3 H3 GLY 1 H3 GLY 1 -0.885 10.060 0.738 4 HA2 GLY 1 HA2 GLY 1 0.529 11.151 2.205 5 HA3 GLY 1 HA3 GLY 1 -0.719 11.390 3.230 6 H ASN 2 H ASN 2 -1.921 8.807 2.761 7 HA ASN 2 HA ASN 2 -0.596 7.371 4.724 8 HB2 ASN 2 HB2 ASN 2 -2.746 6.783 2.920 9 HB3 ASN 2 HB3 ASN 2 -2.050 5.499 3.650 10 HD21 ASN 2 HD21 ASN 2 -3.901 8.373 4.128 11 HD22 ASN 2 HD22 ASN 2 -4.471 7.984 5.717 12 H HIS 3 H HIS 3 -0.142 4.870 4.313 13 HA HIS 3 HA HIS 3 2.177 4.898 2.661 14 HB2 HIS 3 HB2 HIS 3 1.522 3.548 4.865 15 HB3 HIS 3 HB3 HIS 3 1.514 2.400 3.704 16 HD2 HIS 3 HD2 HIS 3 3.973 1.555 2.852 17 HE1 HIS 3 HE1 HIS 3 6.175 4.131 5.143 18 HE2 HIS 3 HE2 HIS 3 6.363 2.180 3.633 19 H TRP 4 H TRP 4 2.481 2.438 1.640 20 HA TRP 4 HA TRP 4 0.368 2.341 -0.333 21 HB2 TRP 4 HB2 TRP 4 2.053 1.311 -1.778 22 HB3 TRP 4 HB3 TRP 4 2.400 2.858 -1.387 23 HD1 TRP 4 HD1 TRP 4 4.455 3.251 0.327 24 HE1 TRP 4 HE1 TRP 4 6.474 1.861 0.955 25 HE3 TRP 4 HE3 TRP 4 2.864 -1.117 -1.514 26 HZ2 TRP 4 HZ2 TRP 4 7.176 -0.823 0.632 27 HZ3 TRP 4 HZ3 TRP 4 4.263 -3.031 -1.315 28 HH2 TRP 4 HH2 TRP 4 6.390 -2.889 -0.256 29 H ALA 5 H ALA 5 2.520 0.322 1.495 30 HA ALA 5 HA ALA 5 1.542 -2.128 0.797 31 HB1 ALA 5 HB1 ALA 5 2.522 -1.366 3.391 32 HB2 ALA 5 HB2 ALA 5 2.391 -2.910 2.876 33 HB3 ALA 5 HB3 ALA 5 3.450 -1.896 2.157 34 H VAL 6 H VAL 6 0.105 0.218 2.818 35 HA VAL 6 HA VAL 6 -1.693 -1.274 4.213 36 HB VAL 6 HB VAL 6 -3.077 0.658 4.307 37 HG11 VAL 6 HG11 VAL 6 -0.296 1.335 4.575 38 HG12 VAL 6 HG12 VAL 6 -1.529 2.185 5.227 39 HG13 VAL 6 HG13 VAL 6 -1.223 0.666 5.741 40 HG21 VAL 6 HG21 VAL 6 -2.918 1.354 2.040 41 HG22 VAL 6 HG22 VAL 6 -2.531 2.597 3.026 42 HG23 VAL 6 HG23 VAL 6 -1.353 1.761 2.265 43 H GLY 7 H GLY 7 -1.758 -0.501 0.885 44 HA2 GLY 7 HA2 GLY 7 -4.253 -1.967 0.640 45 HA3 GLY 7 HA3 GLY 7 -3.879 -0.703 -0.323 46 H HIS 8 H HIS 8 -1.105 -1.457 -0.636 47 HA HIS 8 HA HIS 8 -1.437 -3.245 -2.804 48 HB2 HIS 8 HB2 HIS 8 0.496 -1.470 -2.008 49 HB3 HIS 8 HB3 HIS 8 1.209 -2.909 -2.301 50 HD2 HIS 8 HD2 HIS 8 -1.517 -1.352 -4.492 51 HE1 HIS 8 HE1 HIS 8 1.826 -1.875 -6.790 52 HE2 HIS 8 HE2 HIS 8 -0.539 -1.153 -6.883 53 H LEU 9 H LEU 9 -0.715 -3.592 0.454 54 HA LEU 9 HA LEU 9 0.030 -6.365 0.023 55 HB2 LEU 9 HB2 LEU 9 1.124 -4.466 1.842 56 HB3 LEU 9 HB3 LEU 9 1.104 -6.035 2.293 57 HG LEU 9 HG LEU 9 2.503 -5.035 -0.013 58 HD11 LEU 9 HD11 LEU 9 3.585 -4.376 2.002 59 HD12 LEU 9 HD12 LEU 9 3.596 -5.930 2.504 60 HD13 LEU 9 HD13 LEU 9 4.490 -5.483 1.213 61 HD21 LEU 9 HD21 LEU 9 1.789 -7.224 -0.368 62 HD22 LEU 9 HD22 LEU 9 3.415 -7.208 -0.212 63 HD23 LEU 9 HD23 LEU 9 2.479 -7.695 1.035 64 H MET 10 H MET 10 -0.901 -4.509 2.827 65 HA MET 10 HA MET 10 -2.945 -6.487 3.370 66 HB2 MET 10 HB2 MET 10 -2.762 -5.843 5.664 67 HB3 MET 10 HB3 MET 10 -1.319 -6.352 5.095 68 HG2 MET 10 HG2 MET 10 -1.790 -3.580 4.955 69 HG3 MET 10 HG3 MET 10 -1.566 -4.192 6.453 70 HE1 MET 10 HE1 MET 10 0.344 -1.990 5.476 71 HE2 MET 10 HE2 MET 10 0.562 -2.721 6.921 72 HE3 MET 10 HE3 MET 10 1.818 -2.560 5.889 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.348 11.725 3.353 2 H2 GLY 1 H2 GLY 1 0.166 12.772 2.937 3 H3 GLY 1 H3 GLY 1 0.084 11.971 4.357 4 HA2 GLY 1 HA2 GLY 1 -1.338 11.032 2.798 5 HA3 GLY 1 HA3 GLY 1 -0.074 10.786 1.794 6 H ASN 2 H ASN 2 -1.850 8.783 2.684 7 HA ASN 2 HA ASN 2 -0.614 7.348 4.748 8 HB2 ASN 2 HB2 ASN 2 -2.738 6.801 2.903 9 HB3 ASN 2 HB3 ASN 2 -2.060 5.502 3.624 10 HD21 ASN 2 HD21 ASN 2 -2.228 5.162 5.896 11 HD22 ASN 2 HD22 ASN 2 -3.465 5.981 6.791 12 H HIS 3 H HIS 3 -0.166 4.852 4.299 13 HA HIS 3 HA HIS 3 2.169 4.899 2.665 14 HB2 HIS 3 HB2 HIS 3 1.507 3.535 4.863 15 HB3 HIS 3 HB3 HIS 3 1.528 2.395 3.694 16 HD2 HIS 3 HD2 HIS 3 4.007 1.577 2.884 17 HE1 HIS 3 HE1 HIS 3 6.149 4.193 5.182 18 HE2 HIS 3 HE2 HIS 3 6.378 2.238 3.685 19 H TRP 4 H TRP 4 2.484 2.442 1.639 20 HA TRP 4 HA TRP 4 0.376 2.340 -0.339 21 HB2 TRP 4 HB2 TRP 4 2.067 1.306 -1.774 22 HB3 TRP 4 HB3 TRP 4 2.409 2.855 -1.386 23 HD1 TRP 4 HD1 TRP 4 4.460 3.259 0.326 24 HE1 TRP 4 HE1 TRP 4 6.479 1.873 0.967 25 HE3 TRP 4 HE3 TRP 4 2.875 -1.121 -1.491 26 HZ2 TRP 4 HZ2 TRP 4 7.182 -0.813 0.665 27 HZ3 TRP 4 HZ3 TRP 4 4.272 -3.036 -1.273 28 HH2 TRP 4 HH2 TRP 4 6.398 -2.887 -0.210 29 H ALA 5 H ALA 5 2.521 0.320 1.497 30 HA ALA 5 HA ALA 5 1.543 -2.128 0.795 31 HB1 ALA 5 HB1 ALA 5 2.526 -1.371 3.389 32 HB2 ALA 5 HB2 ALA 5 2.393 -2.914 2.872 33 HB3 ALA 5 HB3 ALA 5 3.452 -1.900 2.152 34 H VAL 6 H VAL 6 0.109 0.219 2.816 35 HA VAL 6 HA VAL 6 -1.690 -1.270 4.213 36 HB VAL 6 HB VAL 6 -3.072 0.664 4.309 37 HG11 VAL 6 HG11 VAL 6 -0.291 1.336 4.572 38 HG12 VAL 6 HG12 VAL 6 -1.522 2.187 5.226 39 HG13 VAL 6 HG13 VAL 6 -1.216 0.667 5.740 40 HG21 VAL 6 HG21 VAL 6 -2.911 1.359 2.039 41 HG22 VAL 6 HG22 VAL 6 -2.524 2.602 3.026 42 HG23 VAL 6 HG23 VAL 6 -1.345 1.764 2.266 43 H GLY 7 H GLY 7 -1.757 -0.499 0.884 44 HA2 GLY 7 HA2 GLY 7 -4.252 -1.964 0.641 45 HA3 GLY 7 HA3 GLY 7 -3.878 -0.700 -0.323 46 H HIS 8 H HIS 8 -1.105 -1.456 -0.637 47 HA HIS 8 HA HIS 8 -1.439 -3.246 -2.803 48 HB2 HIS 8 HB2 HIS 8 0.496 -1.472 -2.012 49 HB3 HIS 8 HB3 HIS 8 1.206 -2.912 -2.308 50 HD2 HIS 8 HD2 HIS 8 -1.569 -1.532 -4.527 51 HE1 HIS 8 HE1 HIS 8 1.846 -1.745 -6.768 52 HE2 HIS 8 HE2 HIS 8 -0.574 -1.242 -6.901 53 H LEU 9 H LEU 9 -0.723 -3.593 0.455 54 HA LEU 9 HA LEU 9 0.027 -6.364 0.027 55 HB2 LEU 9 HB2 LEU 9 1.124 -4.464 1.841 56 HB3 LEU 9 HB3 LEU 9 1.105 -6.032 2.293 57 HG LEU 9 HG LEU 9 2.500 -5.034 -0.015 58 HD11 LEU 9 HD11 LEU 9 3.586 -4.376 1.997 59 HD12 LEU 9 HD12 LEU 9 3.597 -5.930 2.499 60 HD13 LEU 9 HD13 LEU 9 4.489 -5.484 1.206 61 HD21 LEU 9 HD21 LEU 9 2.476 -7.695 1.036 62 HD22 LEU 9 HD22 LEU 9 1.784 -7.226 -0.366 63 HD23 LEU 9 HD23 LEU 9 3.410 -7.210 -0.213 64 H MET 10 H MET 10 -0.870 -4.528 2.853 65 HA MET 10 HA MET 10 -2.782 -6.569 3.531 66 HB2 MET 10 HB2 MET 10 -2.721 -5.744 5.699 67 HB3 MET 10 HB3 MET 10 -1.170 -5.775 5.189 68 HG2 MET 10 HG2 MET 10 -1.501 -3.402 4.613 69 HG3 MET 10 HG3 MET 10 -2.838 -3.486 5.547 70 HE1 MET 10 HE1 MET 10 0.906 -3.246 5.464 71 HE2 MET 10 HE2 MET 10 0.122 -1.836 5.720 72 HE3 MET 10 HE3 MET 10 1.120 -2.435 6.866 Start of MODEL 3 1 H1 GLY 1 H GLY 1 0.136 10.390 1.154 2 H2 GLY 1 H2 GLY 1 0.047 12.007 1.362 3 H3 GLY 1 H3 GLY 1 1.186 11.144 2.153 4 HA2 GLY 1 HA2 GLY 1 -0.556 11.699 3.565 5 HA3 GLY 1 HA3 GLY 1 -1.606 10.944 2.567 6 H ASN 2 H ASN 2 -1.607 8.658 2.343 7 HA ASN 2 HA ASN 2 -0.556 7.403 4.705 8 HB2 ASN 2 HB2 ASN 2 -2.731 6.783 2.940 9 HB3 ASN 2 HB3 ASN 2 -2.026 5.515 3.688 10 HD21 ASN 2 HD21 ASN 2 -1.659 5.883 6.160 11 HD22 ASN 2 HD22 ASN 2 -3.054 6.490 6.988 12 H HIS 3 H HIS 3 -0.101 4.898 4.331 13 HA HIS 3 HA HIS 3 2.198 4.897 2.659 14 HB2 HIS 3 HB2 HIS 3 1.534 3.551 4.864 15 HB3 HIS 3 HB3 HIS 3 1.520 2.404 3.702 16 HD2 HIS 3 HD2 HIS 3 3.972 1.527 2.881 17 HE1 HIS 3 HE1 HIS 3 6.191 4.125 5.126 18 HE2 HIS 3 HE2 HIS 3 6.364 2.147 3.648 19 H TRP 4 H TRP 4 2.476 2.433 1.639 20 HA TRP 4 HA TRP 4 0.352 2.344 -0.323 21 HB2 TRP 4 HB2 TRP 4 2.022 1.323 -1.785 22 HB3 TRP 4 HB3 TRP 4 2.374 2.868 -1.390 23 HD1 TRP 4 HD1 TRP 4 4.459 3.256 0.279 24 HE1 TRP 4 HE1 TRP 4 6.476 1.861 0.891 25 HE3 TRP 4 HE3 TRP 4 2.813 -1.115 -1.503 26 HZ2 TRP 4 HZ2 TRP 4 7.157 -0.833 0.584 27 HZ3 TRP 4 HZ3 TRP 4 4.201 -3.039 -1.304 28 HH2 TRP 4 HH2 TRP 4 6.345 -2.902 -0.275 29 H ALA 5 H ALA 5 2.509 0.331 1.501 30 HA ALA 5 HA ALA 5 1.544 -2.121 0.800 31 HB1 ALA 5 HB1 ALA 5 2.518 -1.359 3.395 32 HB2 ALA 5 HB2 ALA 5 2.394 -2.903 2.878 33 HB3 ALA 5 HB3 ALA 5 3.449 -1.884 2.160 34 H VAL 6 H VAL 6 0.095 0.218 2.820 35 HA VAL 6 HA VAL 6 -1.699 -1.283 4.212 36 HB VAL 6 HB VAL 6 -3.087 0.645 4.313 37 HG11 VAL 6 HG11 VAL 6 -0.309 1.332 4.572 38 HG12 VAL 6 HG12 VAL 6 -1.543 2.177 5.228 39 HG13 VAL 6 HG13 VAL 6 -1.229 0.658 5.741 40 HG21 VAL 6 HG21 VAL 6 -2.937 1.341 2.045 41 HG22 VAL 6 HG22 VAL 6 -2.554 2.586 3.030 42 HG23 VAL 6 HG23 VAL 6 -1.373 1.755 2.266 43 H GLY 7 H GLY 7 -1.763 -0.505 0.885 44 HA2 GLY 7 HA2 GLY 7 -4.253 -1.979 0.636 45 HA3 GLY 7 HA3 GLY 7 -3.881 -0.715 -0.328 46 H HIS 8 H HIS 8 -1.109 -1.453 -0.649 47 HA HIS 8 HA HIS 8 -1.434 -3.249 -2.809 48 HB2 HIS 8 HB2 HIS 8 0.495 -1.468 -2.015 49 HB3 HIS 8 HB3 HIS 8 1.210 -2.906 -2.312 50 HD2 HIS 8 HD2 HIS 8 -1.543 -1.418 -4.510 51 HE1 HIS 8 HE1 HIS 8 1.827 -1.818 -6.791 52 HE2 HIS 8 HE2 HIS 8 -0.565 -1.180 -6.892 53 H LEU 9 H LEU 9 -0.711 -3.589 0.450 54 HA LEU 9 HA LEU 9 0.044 -6.359 0.024 55 HB2 LEU 9 HB2 LEU 9 1.137 -4.455 1.836 56 HB3 LEU 9 HB3 LEU 9 1.124 -6.024 2.287 57 HG LEU 9 HG LEU 9 2.512 -5.018 -0.023 58 HD11 LEU 9 HD11 LEU 9 3.599 -4.358 1.988 59 HD12 LEU 9 HD12 LEU 9 3.616 -5.912 2.490 60 HD13 LEU 9 HD13 LEU 9 4.505 -5.461 1.196 61 HD21 LEU 9 HD21 LEU 9 1.803 -7.214 -0.373 62 HD22 LEU 9 HD22 LEU 9 3.429 -7.191 -0.223 63 HD23 LEU 9 HD23 LEU 9 2.500 -7.680 1.029 64 H MET 10 H MET 10 -0.833 -4.542 2.867 65 HA MET 10 HA MET 10 -2.685 -6.599 3.604 66 HB2 MET 10 HB2 MET 10 -2.781 -5.518 5.702 67 HB3 MET 10 HB3 MET 10 -1.216 -5.695 5.274 68 HG2 MET 10 HG2 MET 10 -1.457 -3.368 4.394 69 HG3 MET 10 HG3 MET 10 -2.743 -3.300 5.398 70 HE1 MET 10 HE1 MET 10 0.924 -4.506 5.516 71 HE2 MET 10 HE2 MET 10 0.927 -2.933 5.075 72 HE3 MET 10 HE3 MET 10 1.571 -3.381 6.507 Start of MODEL 4 1 H1 GLY 1 H GLY 1 0.848 11.652 3.406 2 H2 GLY 1 H2 GLY 1 -0.244 12.821 3.076 3 H3 GLY 1 H3 GLY 1 -0.186 12.154 4.565 4 HA2 GLY 1 HA2 GLY 1 -1.959 11.306 3.351 5 HA3 GLY 1 HA3 GLY 1 -0.924 10.805 2.192 6 H ASN 2 H ASN 2 -1.319 8.625 2.238 7 HA ASN 2 HA ASN 2 -0.601 7.361 4.735 8 HB2 ASN 2 HB2 ASN 2 -2.750 6.774 2.932 9 HB3 ASN 2 HB3 ASN 2 -2.051 5.490 3.659 10 HD21 ASN 2 HD21 ASN 2 -3.032 8.703 4.681 11 HD22 ASN 2 HD22 ASN 2 -3.935 8.179 6.064 12 H HIS 3 H HIS 3 -0.144 4.861 4.315 13 HA HIS 3 HA HIS 3 2.173 4.897 2.660 14 HB2 HIS 3 HB2 HIS 3 1.513 3.534 4.863 15 HB3 HIS 3 HB3 HIS 3 1.537 2.394 3.694 16 HD2 HIS 3 HD2 HIS 3 4.016 1.576 2.891 17 HE1 HIS 3 HE1 HIS 3 6.153 4.211 5.179 18 HE2 HIS 3 HE2 HIS 3 6.389 2.247 3.691 19 H TRP 4 H TRP 4 2.487 2.445 1.630 20 HA TRP 4 HA TRP 4 0.368 2.341 -0.336 21 HB2 TRP 4 HB2 TRP 4 2.052 1.311 -1.781 22 HB3 TRP 4 HB3 TRP 4 2.399 2.858 -1.390 23 HD1 TRP 4 HD1 TRP 4 4.456 3.251 0.320 24 HE1 TRP 4 HE1 TRP 4 6.475 1.861 0.946 25 HE3 TRP 4 HE3 TRP 4 2.862 -1.118 -1.514 26 HZ2 TRP 4 HZ2 TRP 4 7.177 -0.823 0.627 27 HZ3 TRP 4 HZ3 TRP 4 4.260 -3.033 -1.313 28 HH2 TRP 4 HH2 TRP 4 6.388 -2.891 -0.256 29 H ALA 5 H ALA 5 2.519 0.324 1.495 30 HA ALA 5 HA ALA 5 1.544 -2.126 0.798 31 HB1 ALA 5 HB1 ALA 5 2.520 -1.363 3.393 32 HB2 ALA 5 HB2 ALA 5 2.392 -2.907 2.878 33 HB3 ALA 5 HB3 ALA 5 3.450 -1.892 2.160 34 H VAL 6 H VAL 6 0.105 0.220 2.817 35 HA VAL 6 HA VAL 6 -1.693 -1.273 4.213 36 HB VAL 6 HB VAL 6 -3.076 0.664 4.308 37 HG11 VAL 6 HG11 VAL 6 -1.221 0.670 5.740 38 HG12 VAL 6 HG12 VAL 6 -0.294 1.337 4.572 39 HG13 VAL 6 HG13 VAL 6 -1.526 2.189 5.224 40 HG21 VAL 6 HG21 VAL 6 -2.921 1.355 2.041 41 HG22 VAL 6 HG22 VAL 6 -2.532 2.600 3.024 42 HG23 VAL 6 HG23 VAL 6 -1.355 1.762 2.263 43 H GLY 7 H GLY 7 -1.756 -0.502 0.885 44 HA2 GLY 7 HA2 GLY 7 -4.252 -1.965 0.640 45 HA3 GLY 7 HA3 GLY 7 -3.876 -0.702 -0.325 46 H HIS 8 H HIS 8 -1.107 -1.454 -0.644 47 HA HIS 8 HA HIS 8 -1.436 -3.248 -2.805 48 HB2 HIS 8 HB2 HIS 8 0.496 -1.471 -2.013 49 HB3 HIS 8 HB3 HIS 8 1.210 -2.910 -2.303 50 HD2 HIS 8 HD2 HIS 8 -1.524 -1.378 -4.501 51 HE1 HIS 8 HE1 HIS 8 1.828 -1.872 -6.791 52 HE2 HIS 8 HE2 HIS 8 -0.544 -1.175 -6.890 53 H LEU 9 H LEU 9 -0.719 -3.590 0.455 54 HA LEU 9 HA LEU 9 0.028 -6.363 0.028 55 HB2 LEU 9 HB2 LEU 9 1.125 -4.461 1.841 56 HB3 LEU 9 HB3 LEU 9 1.106 -6.030 2.294 57 HG LEU 9 HG LEU 9 2.500 -5.031 -0.014 58 HD11 LEU 9 HD11 LEU 9 3.597 -5.927 2.500 59 HD12 LEU 9 HD12 LEU 9 4.489 -5.480 1.207 60 HD13 LEU 9 HD13 LEU 9 3.586 -4.373 1.998 61 HD21 LEU 9 HD21 LEU 9 1.786 -7.224 -0.366 62 HD22 LEU 9 HD22 LEU 9 3.412 -7.207 -0.213 63 HD23 LEU 9 HD23 LEU 9 2.478 -7.693 1.036 64 H MET 10 H MET 10 -0.886 -4.510 2.840 65 HA MET 10 HA MET 10 -2.942 -6.476 3.378 66 HB2 MET 10 HB2 MET 10 -2.696 -6.020 5.653 67 HB3 MET 10 HB3 MET 10 -1.192 -6.246 5.057 68 HG2 MET 10 HG2 MET 10 -1.241 -3.732 4.827 69 HG3 MET 10 HG3 MET 10 -2.375 -3.848 5.997 70 HE1 MET 10 HE1 MET 10 1.288 -4.251 5.130 71 HE2 MET 10 HE2 MET 10 0.893 -2.767 5.683 72 HE3 MET 10 HE3 MET 10 1.927 -3.705 6.529 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -3.131 10.423 2.027 2 H2 GLY 1 H2 GLY 1 -2.257 11.673 1.443 3 H3 GLY 1 H3 GLY 1 -1.687 10.147 1.317 4 HA2 GLY 1 HA2 GLY 1 -0.629 11.284 3.027 5 HA3 GLY 1 HA3 GLY 1 -2.073 11.560 3.737 6 H ASN 2 H ASN 2 -0.860 8.672 2.223 7 HA ASN 2 HA ASN 2 -0.595 7.367 4.732 8 HB2 ASN 2 HB2 ASN 2 -2.744 6.775 2.927 9 HB3 ASN 2 HB3 ASN 2 -2.048 5.494 3.663 10 HD21 ASN 2 HD21 ASN 2 -1.993 5.398 6.036 11 HD22 ASN 2 HD22 ASN 2 -3.296 6.149 6.896 12 H HIS 3 H HIS 3 -0.139 4.866 4.315 13 HA HIS 3 HA HIS 3 2.178 4.899 2.663 14 HB2 HIS 3 HB2 HIS 3 1.514 3.537 4.862 15 HB3 HIS 3 HB3 HIS 3 1.532 2.397 3.693 16 HD2 HIS 3 HD2 HIS 3 4.001 1.528 2.944 17 HE1 HIS 3 HE1 HIS 3 6.163 4.220 5.133 18 HE2 HIS 3 HE2 HIS 3 6.379 2.209 3.714 19 H TRP 4 H TRP 4 2.481 2.439 1.638 20 HA TRP 4 HA TRP 4 0.367 2.342 -0.333 21 HB2 TRP 4 HB2 TRP 4 2.050 1.315 -1.780 22 HB3 TRP 4 HB3 TRP 4 2.399 2.861 -1.386 23 HD1 TRP 4 HD1 TRP 4 4.458 3.249 0.322 24 HE1 TRP 4 HE1 TRP 4 6.474 1.855 0.949 25 HE3 TRP 4 HE3 TRP 4 2.855 -1.115 -1.517 26 HZ2 TRP 4 HZ2 TRP 4 7.172 -0.830 0.624 27 HZ3 TRP 4 HZ3 TRP 4 4.252 -3.032 -1.320 28 HH2 TRP 4 HH2 TRP 4 6.380 -2.894 -0.262 29 H ALA 5 H ALA 5 2.517 0.323 1.497 30 HA ALA 5 HA ALA 5 1.541 -2.126 0.794 31 HB1 ALA 5 HB1 ALA 5 2.523 -1.367 3.389 32 HB2 ALA 5 HB2 ALA 5 2.393 -2.911 2.872 33 HB3 ALA 5 HB3 ALA 5 3.451 -1.895 2.153 34 H VAL 6 H VAL 6 0.104 0.217 2.817 35 HA VAL 6 HA VAL 6 -1.693 -1.275 4.212 36 HB VAL 6 HB VAL 6 -3.077 0.658 4.308 37 HG11 VAL 6 HG11 VAL 6 -0.297 1.334 4.570 38 HG12 VAL 6 HG12 VAL 6 -1.529 2.184 5.224 39 HG13 VAL 6 HG13 VAL 6 -1.221 0.665 5.738 40 HG21 VAL 6 HG21 VAL 6 -2.922 1.351 2.040 41 HG22 VAL 6 HG22 VAL 6 -2.535 2.595 3.024 42 HG23 VAL 6 HG23 VAL 6 -1.356 1.759 2.263 43 H GLY 7 H GLY 7 -1.762 -0.499 0.883 44 HA2 GLY 7 HA2 GLY 7 -4.253 -1.972 0.639 45 HA3 GLY 7 HA3 GLY 7 -3.884 -0.705 -0.323 46 H HIS 8 H HIS 8 -1.103 -1.461 -0.627 47 HA HIS 8 HA HIS 8 -1.434 -3.243 -2.801 48 HB2 HIS 8 HB2 HIS 8 0.498 -1.468 -2.004 49 HB3 HIS 8 HB3 HIS 8 1.213 -2.907 -2.292 50 HD2 HIS 8 HD2 HIS 8 -1.493 -1.308 -4.485 51 HE1 HIS 8 HE1 HIS 8 1.831 -1.916 -6.787 52 HE2 HIS 8 HE2 HIS 8 -0.518 -1.136 -6.875 53 H LEU 9 H LEU 9 -0.725 -3.600 0.456 54 HA LEU 9 HA LEU 9 0.024 -6.370 0.021 55 HB2 LEU 9 HB2 LEU 9 1.115 -4.476 1.846 56 HB3 LEU 9 HB3 LEU 9 1.096 -6.047 2.291 57 HG LEU 9 HG LEU 9 2.497 -5.036 -0.009 58 HD11 LEU 9 HD11 LEU 9 3.575 -4.387 2.010 59 HD12 LEU 9 HD12 LEU 9 3.586 -5.943 2.505 60 HD13 LEU 9 HD13 LEU 9 4.482 -5.489 1.217 61 HD21 LEU 9 HD21 LEU 9 1.785 -7.223 -0.376 62 HD22 LEU 9 HD22 LEU 9 3.410 -7.207 -0.217 63 HD23 LEU 9 HD23 LEU 9 2.473 -7.701 1.026 64 H MET 10 H MET 10 -0.952 -4.481 2.790 65 HA MET 10 HA MET 10 -2.959 -6.490 3.362 66 HB2 MET 10 HB2 MET 10 -2.823 -5.762 5.640 67 HB3 MET 10 HB3 MET 10 -1.371 -6.282 5.106 68 HG2 MET 10 HG2 MET 10 -1.852 -3.520 4.863 69 HG3 MET 10 HG3 MET 10 -1.649 -4.076 6.384 70 HE1 MET 10 HE1 MET 10 0.264 -1.901 5.302 71 HE2 MET 10 HE2 MET 10 0.463 -2.541 6.791 72 HE3 MET 10 HE3 MET 10 1.734 -2.435 5.771 Start of MODEL 6 1 H1 GLY 1 H GLY 1 0.179 10.261 0.723 2 H2 GLY 1 H2 GLY 1 0.171 11.875 0.971 3 H3 GLY 1 H3 GLY 1 1.361 10.958 1.609 4 HA2 GLY 1 HA2 GLY 1 -0.188 11.535 3.222 5 HA3 GLY 1 HA3 GLY 1 -1.370 10.839 2.337 6 H ASN 2 H ASN 2 -1.911 8.761 2.651 7 HA ASN 2 HA ASN 2 -0.614 7.377 4.701 8 HB2 ASN 2 HB2 ASN 2 -2.770 6.778 2.913 9 HB3 ASN 2 HB3 ASN 2 -2.063 5.493 3.630 10 HD21 ASN 2 HD21 ASN 2 -2.169 5.177 5.909 11 HD22 ASN 2 HD22 ASN 2 -3.392 5.993 6.825 12 H HIS 3 H HIS 3 -0.146 4.877 4.312 13 HA HIS 3 HA HIS 3 2.173 4.897 2.667 14 HB2 HIS 3 HB2 HIS 3 1.489 3.536 4.862 15 HB3 HIS 3 HB3 HIS 3 1.522 2.397 3.692 16 HD2 HIS 3 HD2 HIS 3 4.011 1.605 2.873 17 HE1 HIS 3 HE1 HIS 3 6.125 4.176 5.250 18 HE2 HIS 3 HE2 HIS 3 6.374 2.254 3.711 19 H TRP 4 H TRP 4 2.478 2.436 1.648 20 HA TRP 4 HA TRP 4 0.374 2.338 -0.336 21 HB2 TRP 4 HB2 TRP 4 2.067 1.307 -1.771 22 HB3 TRP 4 HB3 TRP 4 2.409 2.855 -1.383 23 HD1 TRP 4 HD1 TRP 4 4.458 3.259 0.330 24 HE1 TRP 4 HE1 TRP 4 6.477 1.876 0.975 25 HE3 TRP 4 HE3 TRP 4 2.877 -1.120 -1.489 26 HZ2 TRP 4 HZ2 TRP 4 7.183 -0.810 0.670 27 HZ3 TRP 4 HZ3 TRP 4 4.278 -3.033 -1.273 28 HH2 TRP 4 HH2 TRP 4 6.401 -2.882 -0.208 29 H ALA 5 H ALA 5 2.521 0.318 1.499 30 HA ALA 5 HA ALA 5 1.543 -2.130 0.796 31 HB1 ALA 5 HB1 ALA 5 2.525 -1.372 3.391 32 HB2 ALA 5 HB2 ALA 5 2.393 -2.915 2.874 33 HB3 ALA 5 HB3 ALA 5 3.452 -1.901 2.155 34 H VAL 6 H VAL 6 0.108 0.216 2.819 35 HA VAL 6 HA VAL 6 -1.692 -1.276 4.214 36 HB VAL 6 HB VAL 6 -3.072 0.658 4.311 37 HG11 VAL 6 HG11 VAL 6 -0.291 1.331 4.575 38 HG12 VAL 6 HG12 VAL 6 -1.521 2.182 5.229 39 HG13 VAL 6 HG13 VAL 6 -1.216 0.662 5.743 40 HG21 VAL 6 HG21 VAL 6 -2.914 1.355 2.044 41 HG22 VAL 6 HG22 VAL 6 -2.525 2.597 3.031 42 HG23 VAL 6 HG23 VAL 6 -1.348 1.760 2.269 43 H GLY 7 H GLY 7 -1.756 -0.500 0.886 44 HA2 GLY 7 HA2 GLY 7 -4.252 -1.964 0.641 45 HA3 GLY 7 HA3 GLY 7 -3.878 -0.699 -0.322 46 H HIS 8 H HIS 8 -1.105 -1.455 -0.637 47 HA HIS 8 HA HIS 8 -1.439 -3.242 -2.806 48 HB2 HIS 8 HB2 HIS 8 0.496 -1.470 -2.010 49 HB3 HIS 8 HB3 HIS 8 1.207 -2.910 -2.307 50 HD2 HIS 8 HD2 HIS 8 -1.552 -1.458 -4.514 51 HE1 HIS 8 HE1 HIS 8 1.839 -1.783 -6.777 52 HE2 HIS 8 HE2 HIS 8 -0.563 -1.198 -6.892 53 H LEU 9 H LEU 9 -0.712 -3.589 0.451 54 HA LEU 9 HA LEU 9 0.028 -6.364 0.020 55 HB2 LEU 9 HB2 LEU 9 1.124 -4.464 1.837 56 HB3 LEU 9 HB3 LEU 9 1.103 -6.033 2.290 57 HG LEU 9 HG LEU 9 2.504 -5.036 -0.016 58 HD11 LEU 9 HD11 LEU 9 3.585 -4.379 1.999 59 HD12 LEU 9 HD12 LEU 9 3.594 -5.933 2.501 60 HD13 LEU 9 HD13 LEU 9 4.489 -5.487 1.210 61 HD21 LEU 9 HD21 LEU 9 1.787 -7.226 -0.370 62 HD22 LEU 9 HD22 LEU 9 3.413 -7.211 -0.213 63 HD23 LEU 9 HD23 LEU 9 2.476 -7.696 1.034 64 H MET 10 H MET 10 -0.893 -4.514 2.831 65 HA MET 10 HA MET 10 -2.888 -6.521 3.419 66 HB2 MET 10 HB2 MET 10 -2.793 -5.678 5.674 67 HB3 MET 10 HB3 MET 10 -1.342 -6.234 5.173 68 HG2 MET 10 HG2 MET 10 -1.767 -3.489 4.770 69 HG3 MET 10 HG3 MET 10 -1.648 -3.947 6.332 70 HE1 MET 10 HE1 MET 10 0.343 -1.890 5.049 71 HE2 MET 10 HE2 MET 10 0.464 -2.329 6.617 72 HE3 MET 10 HE3 MET 10 1.782 -2.368 5.655 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -1.639 11.531 3.949 2 H2 GLY 1 H2 GLY 1 -1.806 12.239 2.486 3 H3 GLY 1 H3 GLY 1 -2.409 10.743 2.744 4 HA2 GLY 1 HA2 GLY 1 -0.434 10.641 1.549 5 HA3 GLY 1 HA3 GLY 1 0.336 11.430 2.754 6 H ASN 2 H ASN 2 -1.915 8.756 2.654 7 HA ASN 2 HA ASN 2 -0.593 7.388 4.696 8 HB2 ASN 2 HB2 ASN 2 -2.759 6.761 2.927 9 HB3 ASN 2 HB3 ASN 2 -2.049 5.494 3.673 10 HD21 ASN 2 HD21 ASN 2 -1.659 5.918 6.155 11 HD22 ASN 2 HD22 ASN 2 -3.070 6.494 6.977 12 H HIS 3 H HIS 3 -0.128 4.885 4.324 13 HA HIS 3 HA HIS 3 2.181 4.893 2.666 14 HB2 HIS 3 HB2 HIS 3 1.501 3.538 4.865 15 HB3 HIS 3 HB3 HIS 3 1.519 2.397 3.698 16 HD2 HIS 3 HD2 HIS 3 3.991 1.530 2.941 17 HE1 HIS 3 HE1 HIS 3 6.149 4.192 5.173 18 HE2 HIS 3 HE2 HIS 3 6.366 2.194 3.731 19 H TRP 4 H TRP 4 2.481 2.438 1.640 20 HA TRP 4 HA TRP 4 0.367 2.342 -0.333 21 HB2 TRP 4 HB2 TRP 4 2.052 1.315 -1.778 22 HB3 TRP 4 HB3 TRP 4 2.400 2.861 -1.384 23 HD1 TRP 4 HD1 TRP 4 4.457 3.250 0.326 24 HE1 TRP 4 HE1 TRP 4 6.474 1.858 0.950 25 HE3 TRP 4 HE3 TRP 4 2.858 -1.114 -1.516 26 HZ2 TRP 4 HZ2 TRP 4 7.174 -0.826 0.626 27 HZ3 TRP 4 HZ3 TRP 4 4.255 -3.031 -1.319 28 HH2 TRP 4 HH2 TRP 4 6.384 -2.893 -0.261 29 H ALA 5 H ALA 5 2.518 0.321 1.495 30 HA ALA 5 HA ALA 5 1.540 -2.127 0.793 31 HB1 ALA 5 HB1 ALA 5 2.523 -1.368 3.389 32 HB2 ALA 5 HB2 ALA 5 2.393 -2.912 2.872 33 HB3 ALA 5 HB3 ALA 5 3.451 -1.895 2.153 34 H VAL 6 H VAL 6 0.105 0.217 2.817 35 HA VAL 6 HA VAL 6 -1.693 -1.275 4.212 36 HB VAL 6 HB VAL 6 -3.077 0.655 4.309 37 HG11 VAL 6 HG11 VAL 6 -0.297 1.333 4.574 38 HG12 VAL 6 HG12 VAL 6 -1.529 2.182 5.228 39 HG13 VAL 6 HG13 VAL 6 -1.221 0.662 5.741 40 HG21 VAL 6 HG21 VAL 6 -2.919 1.353 2.041 41 HG22 VAL 6 HG22 VAL 6 -2.533 2.596 3.027 42 HG23 VAL 6 HG23 VAL 6 -1.354 1.761 2.267 43 H GLY 7 H GLY 7 -1.760 -0.500 0.885 44 HA2 GLY 7 HA2 GLY 7 -4.252 -1.971 0.640 45 HA3 GLY 7 HA3 GLY 7 -3.883 -0.704 -0.321 46 H HIS 8 H HIS 8 -1.103 -1.462 -0.626 47 HA HIS 8 HA HIS 8 -1.434 -3.242 -2.802 48 HB2 HIS 8 HB2 HIS 8 0.497 -1.468 -2.005 49 HB3 HIS 8 HB3 HIS 8 1.212 -2.907 -2.293 50 HD2 HIS 8 HD2 HIS 8 -1.495 -1.314 -4.487 51 HE1 HIS 8 HE1 HIS 8 1.833 -1.914 -6.787 52 HE2 HIS 8 HE2 HIS 8 -0.517 -1.143 -6.878 53 H LEU 9 H LEU 9 -0.720 -3.598 0.457 54 HA LEU 9 HA LEU 9 0.028 -6.369 0.019 55 HB2 LEU 9 HB2 LEU 9 1.118 -4.475 1.846 56 HB3 LEU 9 HB3 LEU 9 1.099 -6.046 2.290 57 HG LEU 9 HG LEU 9 2.501 -5.034 -0.008 58 HD11 LEU 9 HD11 LEU 9 3.589 -5.941 2.506 59 HD12 LEU 9 HD12 LEU 9 4.485 -5.487 1.219 60 HD13 LEU 9 HD13 LEU 9 3.577 -4.385 2.011 61 HD21 LEU 9 HD21 LEU 9 1.788 -7.225 -0.373 62 HD22 LEU 9 HD22 LEU 9 3.413 -7.209 -0.213 63 HD23 LEU 9 HD23 LEU 9 2.476 -7.701 1.030 64 H MET 10 H MET 10 -0.931 -4.498 2.807 65 HA MET 10 HA MET 10 -2.932 -6.508 3.381 66 HB2 MET 10 HB2 MET 10 -2.740 -5.965 5.631 67 HB3 MET 10 HB3 MET 10 -1.212 -6.102 5.071 68 HG2 MET 10 HG2 MET 10 -1.432 -3.610 4.751 69 HG3 MET 10 HG3 MET 10 -2.585 -3.763 5.896 70 HE1 MET 10 HE1 MET 10 1.121 -4.332 5.136 71 HE2 MET 10 HE2 MET 10 0.793 -2.761 5.438 72 HE3 MET 10 HE3 MET 10 1.765 -3.601 6.447 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -1.502 11.857 4.505 2 H2 GLY 1 H2 GLY 1 -1.828 12.526 3.052 3 H3 GLY 1 H3 GLY 1 -2.551 11.129 3.488 4 HA2 GLY 1 HA2 GLY 1 -0.831 10.735 1.996 5 HA3 GLY 1 HA3 GLY 1 0.218 11.464 3.013 6 H ASN 2 H ASN 2 -1.688 8.676 2.429 7 HA ASN 2 HA ASN 2 -0.615 7.357 4.732 8 HB2 ASN 2 HB2 ASN 2 -2.749 6.771 2.907 9 HB3 ASN 2 HB3 ASN 2 -2.061 5.490 3.650 10 HD21 ASN 2 HD21 ASN 2 -2.746 8.698 4.858 11 HD22 ASN 2 HD22 ASN 2 -3.782 8.190 6.150 12 H HIS 3 H HIS 3 -0.159 4.858 4.305 13 HA HIS 3 HA HIS 3 2.169 4.898 2.663 14 HB2 HIS 3 HB2 HIS 3 1.508 3.540 4.864 15 HB3 HIS 3 HB3 HIS 3 1.522 2.396 3.699 16 HD2 HIS 3 HD2 HIS 3 3.995 1.551 2.906 17 HE1 HIS 3 HE1 HIS 3 6.154 4.196 5.155 18 HE2 HIS 3 HE2 HIS 3 6.372 2.218 3.688 19 H TRP 4 H TRP 4 2.484 2.441 1.639 20 HA TRP 4 HA TRP 4 0.376 2.339 -0.339 21 HB2 TRP 4 HB2 TRP 4 2.067 1.305 -1.774 22 HB3 TRP 4 HB3 TRP 4 2.409 2.854 -1.386 23 HD1 TRP 4 HD1 TRP 4 4.462 3.259 0.322 24 HE1 TRP 4 HE1 TRP 4 6.479 1.873 0.968 25 HE3 TRP 4 HE3 TRP 4 2.874 -1.123 -1.486 26 HZ2 TRP 4 HZ2 TRP 4 7.182 -0.811 0.667 27 HZ3 TRP 4 HZ3 TRP 4 4.273 -3.037 -1.267 28 HH2 TRP 4 HH2 TRP 4 6.398 -2.885 -0.203 29 H ALA 5 H ALA 5 2.523 0.320 1.497 30 HA ALA 5 HA ALA 5 1.541 -2.129 0.795 31 HB1 ALA 5 HB1 ALA 5 2.525 -1.371 3.391 32 HB2 ALA 5 HB2 ALA 5 2.392 -2.914 2.874 33 HB3 ALA 5 HB3 ALA 5 3.452 -1.900 2.155 34 H VAL 6 H VAL 6 0.109 0.218 2.817 35 HA VAL 6 HA VAL 6 -1.691 -1.271 4.214 36 HB VAL 6 HB VAL 6 -3.072 0.664 4.307 37 HG11 VAL 6 HG11 VAL 6 -1.218 0.668 5.740 38 HG12 VAL 6 HG12 VAL 6 -0.290 1.335 4.573 39 HG13 VAL 6 HG13 VAL 6 -1.521 2.188 5.225 40 HG21 VAL 6 HG21 VAL 6 -2.911 1.359 2.040 41 HG22 VAL 6 HG22 VAL 6 -2.523 2.602 3.025 42 HG23 VAL 6 HG23 VAL 6 -1.345 1.763 2.266 43 H GLY 7 H GLY 7 -1.755 -0.500 0.884 44 HA2 GLY 7 HA2 GLY 7 -4.252 -1.962 0.641 45 HA3 GLY 7 HA3 GLY 7 -3.878 -0.698 -0.322 46 H HIS 8 H HIS 8 -1.105 -1.456 -0.635 47 HA HIS 8 HA HIS 8 -1.440 -3.244 -2.804 48 HB2 HIS 8 HB2 HIS 8 0.497 -1.471 -2.009 49 HB3 HIS 8 HB3 HIS 8 1.207 -2.912 -2.303 50 HD2 HIS 8 HD2 HIS 8 -1.549 -1.463 -4.514 51 HE1 HIS 8 HE1 HIS 8 1.844 -1.795 -6.774 52 HE2 HIS 8 HE2 HIS 8 -0.558 -1.209 -6.895 53 H LEU 9 H LEU 9 -0.721 -3.593 0.455 54 HA LEU 9 HA LEU 9 0.025 -6.364 0.024 55 HB2 LEU 9 HB2 LEU 9 1.123 -4.466 1.842 56 HB3 LEU 9 HB3 LEU 9 1.101 -6.035 2.293 57 HG LEU 9 HG LEU 9 2.498 -5.037 -0.014 58 HD11 LEU 9 HD11 LEU 9 3.582 -4.379 1.999 59 HD12 LEU 9 HD12 LEU 9 3.592 -5.932 2.503 60 HD13 LEU 9 HD13 LEU 9 4.485 -5.487 1.210 61 HD21 LEU 9 HD21 LEU 9 1.783 -7.227 -0.367 62 HD22 LEU 9 HD22 LEU 9 3.409 -7.212 -0.212 63 HD23 LEU 9 HD23 LEU 9 2.475 -7.697 1.036 64 H MET 10 H MET 10 -0.905 -4.503 2.827 65 HA MET 10 HA MET 10 -2.891 -6.515 3.427 66 HB2 MET 10 HB2 MET 10 -2.757 -5.821 5.668 67 HB3 MET 10 HB3 MET 10 -1.237 -6.087 5.132 68 HG2 MET 10 HG2 MET 10 -1.269 -3.620 4.665 69 HG3 MET 10 HG3 MET 10 -2.470 -3.611 5.771 70 HE1 MET 10 HE1 MET 10 1.220 -4.402 5.187 71 HE2 MET 10 HE2 MET 10 0.951 -2.807 5.414 72 HE3 MET 10 HE3 MET 10 1.848 -3.645 6.491 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -1.733 10.205 1.460 2 H2 GLY 1 H2 GLY 1 -1.081 11.681 1.214 3 H3 GLY 1 H3 GLY 1 -0.118 10.363 1.276 4 HA2 GLY 1 HA2 GLY 1 -0.011 11.557 3.251 5 HA3 GLY 1 HA3 GLY 1 -1.626 11.399 3.435 6 H ASN 2 H ASN 2 -1.489 8.650 2.306 7 HA ASN 2 HA ASN 2 -0.586 7.373 4.731 8 HB2 ASN 2 HB2 ASN 2 -2.738 6.791 2.929 9 HB3 ASN 2 HB3 ASN 2 -2.042 5.505 3.655 10 HD21 ASN 2 HD21 ASN 2 -1.657 5.907 6.152 11 HD22 ASN 2 HD22 ASN 2 -3.077 6.462 6.974 12 H HIS 3 H HIS 3 -0.137 4.871 4.314 13 HA HIS 3 HA HIS 3 2.183 4.898 2.662 14 HB2 HIS 3 HB2 HIS 3 1.515 3.537 4.862 15 HB3 HIS 3 HB3 HIS 3 1.531 2.397 3.693 16 HD2 HIS 3 HD2 HIS 3 4.001 1.547 2.910 17 HE1 HIS 3 HE1 HIS 3 6.163 4.192 5.158 18 HE2 HIS 3 HE2 HIS 3 6.378 2.209 3.693 19 H TRP 4 H TRP 4 2.480 2.438 1.639 20 HA TRP 4 HA TRP 4 0.363 2.342 -0.331 21 HB2 TRP 4 HB2 TRP 4 2.045 1.315 -1.780 22 HB3 TRP 4 HB3 TRP 4 2.395 2.861 -1.385 23 HD1 TRP 4 HD1 TRP 4 4.455 3.249 0.318 24 HE1 TRP 4 HE1 TRP 4 6.473 1.855 0.941 25 HE3 TRP 4 HE3 TRP 4 2.851 -1.115 -1.519 26 HZ2 TRP 4 HZ2 TRP 4 7.170 -0.831 0.614 27 HZ3 TRP 4 HZ3 TRP 4 4.245 -3.032 -1.324 28 HH2 TRP 4 HH2 TRP 4 6.376 -2.896 -0.270 29 H ALA 5 H ALA 5 2.518 0.322 1.494 30 HA ALA 5 HA ALA 5 1.542 -2.126 0.794 31 HB1 ALA 5 HB1 ALA 5 2.521 -1.367 3.390 32 HB2 ALA 5 HB2 ALA 5 2.392 -2.910 2.873 33 HB3 ALA 5 HB3 ALA 5 3.450 -1.895 2.155 34 H VAL 6 H VAL 6 0.104 0.217 2.817 35 HA VAL 6 HA VAL 6 -1.694 -1.277 4.212 36 HB VAL 6 HB VAL 6 -3.078 0.654 4.310 37 HG11 VAL 6 HG11 VAL 6 -0.298 1.332 4.574 38 HG12 VAL 6 HG12 VAL 6 -1.530 2.181 5.229 39 HG13 VAL 6 HG13 VAL 6 -1.222 0.661 5.741 40 HG21 VAL 6 HG21 VAL 6 -2.921 1.352 2.042 41 HG22 VAL 6 HG22 VAL 6 -2.535 2.595 3.029 42 HG23 VAL 6 HG23 VAL 6 -1.356 1.760 2.267 43 H GLY 7 H GLY 7 -1.759 -0.502 0.884 44 HA2 GLY 7 HA2 GLY 7 -4.252 -1.972 0.639 45 HA3 GLY 7 HA3 GLY 7 -3.883 -0.705 -0.323 46 H HIS 8 H HIS 8 -1.103 -1.463 -0.626 47 HA HIS 8 HA HIS 8 -1.433 -3.244 -2.802 48 HB2 HIS 8 HB2 HIS 8 0.493 -1.465 -2.007 49 HB3 HIS 8 HB3 HIS 8 1.212 -2.904 -2.291 50 HD2 HIS 8 HD2 HIS 8 -1.497 -1.317 -4.489 51 HE1 HIS 8 HE1 HIS 8 1.831 -1.922 -6.789 52 HE2 HIS 8 HE2 HIS 8 -0.519 -1.149 -6.880 53 H LEU 9 H LEU 9 -0.726 -3.601 0.456 54 HA LEU 9 HA LEU 9 0.026 -6.370 0.021 55 HB2 LEU 9 HB2 LEU 9 1.118 -4.474 1.845 56 HB3 LEU 9 HB3 LEU 9 1.101 -6.045 2.290 57 HG LEU 9 HG LEU 9 2.499 -5.033 -0.012 58 HD11 LEU 9 HD11 LEU 9 3.579 -4.383 2.005 59 HD12 LEU 9 HD12 LEU 9 3.592 -5.939 2.500 60 HD13 LEU 9 HD13 LEU 9 4.485 -5.485 1.211 61 HD21 LEU 9 HD21 LEU 9 1.786 -7.223 -0.376 62 HD22 LEU 9 HD22 LEU 9 3.412 -7.205 -0.219 63 HD23 LEU 9 HD23 LEU 9 2.477 -7.698 1.026 64 H MET 10 H MET 10 -0.886 -4.535 2.843 65 HA MET 10 HA MET 10 -2.778 -6.589 3.531 66 HB2 MET 10 HB2 MET 10 -2.738 -5.742 5.687 67 HB3 MET 10 HB3 MET 10 -1.185 -5.716 5.183 68 HG2 MET 10 HG2 MET 10 -1.796 -3.344 4.520 69 HG3 MET 10 HG3 MET 10 -2.910 -3.535 5.698 70 HE1 MET 10 HE1 MET 10 0.803 -4.495 5.257 71 HE2 MET 10 HE2 MET 10 0.688 -2.909 4.883 72 HE3 MET 10 HE3 MET 10 1.528 -3.379 6.203 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -0.765 10.251 1.294 2 H2 GLY 1 H2 GLY 1 -0.500 11.858 1.411 3 H3 GLY 1 H3 GLY 1 0.628 10.804 1.942 4 HA2 GLY 1 HA2 GLY 1 -0.553 11.706 3.710 5 HA3 GLY 1 HA3 GLY 1 -1.946 11.154 3.062 6 H ASN 2 H ASN 2 -1.333 8.642 2.246 7 HA ASN 2 HA ASN 2 -0.598 7.366 4.732 8 HB2 ASN 2 HB2 ASN 2 -2.741 6.797 2.915 9 HB3 ASN 2 HB3 ASN 2 -2.051 5.504 3.635 10 HD21 ASN 2 HD21 ASN 2 -3.073 8.712 4.641 11 HD22 ASN 2 HD22 ASN 2 -3.966 8.186 6.029 12 H HIS 3 H HIS 3 -0.151 4.864 4.306 13 HA HIS 3 HA HIS 3 2.176 4.897 2.664 14 HB2 HIS 3 HB2 HIS 3 1.512 3.540 4.865 15 HB3 HIS 3 HB3 HIS 3 1.520 2.397 3.700 16 HD2 HIS 3 HD2 HIS 3 3.984 1.519 2.934 17 HE1 HIS 3 HE1 HIS 3 6.163 4.195 5.131 18 HE2 HIS 3 HE2 HIS 3 6.369 2.187 3.702 19 H TRP 4 H TRP 4 2.482 2.439 1.640 20 HA TRP 4 HA TRP 4 0.370 2.341 -0.335 21 HB2 TRP 4 HB2 TRP 4 2.057 1.313 -1.778 22 HB3 TRP 4 HB3 TRP 4 2.404 2.859 -1.384 23 HD1 TRP 4 HD1 TRP 4 4.463 3.253 0.319 24 HE1 TRP 4 HE1 TRP 4 6.478 1.861 0.953 25 HE3 TRP 4 HE3 TRP 4 2.859 -1.119 -1.501 26 HZ2 TRP 4 HZ2 TRP 4 7.174 -0.827 0.642 27 HZ3 TRP 4 HZ3 TRP 4 4.252 -3.037 -1.290 28 HH2 TRP 4 HH2 TRP 4 6.381 -2.895 -0.234 29 H ALA 5 H ALA 5 2.520 0.322 1.497 30 HA ALA 5 HA ALA 5 1.542 -2.127 0.795 31 HB1 ALA 5 HB1 ALA 5 2.524 -1.369 3.390 32 HB2 ALA 5 HB2 ALA 5 2.392 -2.912 2.873 33 HB3 ALA 5 HB3 ALA 5 3.451 -1.898 2.154 34 H VAL 6 H VAL 6 0.106 0.219 2.816 35 HA VAL 6 HA VAL 6 -1.692 -1.273 4.212 36 HB VAL 6 HB VAL 6 -3.076 0.660 4.308 37 HG11 VAL 6 HG11 VAL 6 -0.295 1.336 4.573 38 HG12 VAL 6 HG12 VAL 6 -1.527 2.186 5.226 39 HG13 VAL 6 HG13 VAL 6 -1.220 0.667 5.740 40 HG21 VAL 6 HG21 VAL 6 -2.917 1.353 2.039 41 HG22 VAL 6 HG22 VAL 6 -2.531 2.597 3.024 42 HG23 VAL 6 HG23 VAL 6 -1.352 1.761 2.265 43 H GLY 7 H GLY 7 -1.760 -0.499 0.884 44 HA2 GLY 7 HA2 GLY 7 -4.252 -1.970 0.640 45 HA3 GLY 7 HA3 GLY 7 -3.883 -0.704 -0.322 46 H HIS 8 H HIS 8 -1.105 -1.458 -0.633 47 HA HIS 8 HA HIS 8 -1.436 -3.243 -2.803 48 HB2 HIS 8 HB2 HIS 8 0.497 -1.469 -2.007 49 HB3 HIS 8 HB3 HIS 8 1.209 -2.909 -2.301 50 HD2 HIS 8 HD2 HIS 8 -1.532 -1.401 -4.500 51 HE1 HIS 8 HE1 HIS 8 1.835 -1.834 -6.780 52 HE2 HIS 8 HE2 HIS 8 -0.549 -1.173 -6.884 53 H LEU 9 H LEU 9 -0.718 -3.595 0.454 54 HA LEU 9 HA LEU 9 0.032 -6.365 0.023 55 HB2 LEU 9 HB2 LEU 9 1.123 -4.467 1.842 56 HB3 LEU 9 HB3 LEU 9 1.103 -6.036 2.293 57 HG LEU 9 HG LEU 9 2.503 -5.036 -0.012 58 HD11 LEU 9 HD11 LEU 9 3.583 -4.377 2.002 59 HD12 LEU 9 HD12 LEU 9 3.594 -5.931 2.505 60 HD13 LEU 9 HD13 LEU 9 4.488 -5.484 1.214 61 HD21 LEU 9 HD21 LEU 9 1.790 -7.225 -0.369 62 HD22 LEU 9 HD22 LEU 9 3.415 -7.209 -0.211 63 HD23 LEU 9 HD23 LEU 9 2.479 -7.696 1.035 64 H MET 10 H MET 10 -0.918 -4.498 2.814 65 HA MET 10 HA MET 10 -2.818 -6.554 3.495 66 HB2 MET 10 HB2 MET 10 -2.804 -5.665 5.665 67 HB3 MET 10 HB3 MET 10 -1.251 -5.831 5.186 68 HG2 MET 10 HG2 MET 10 -1.436 -3.441 4.528 69 HG3 MET 10 HG3 MET 10 -2.735 -3.422 5.518 70 HE1 MET 10 HE1 MET 10 0.927 -4.646 5.552 71 HE2 MET 10 HE2 MET 10 0.924 -3.037 5.273 72 HE3 MET 10 HE3 MET 10 1.562 -3.625 6.657 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -2.287 11.583 4.095 2 H2 GLY 1 H2 GLY 1 -2.204 12.291 2.626 3 H3 GLY 1 H3 GLY 1 -2.741 10.755 2.763 4 HA2 GLY 1 HA2 GLY 1 -0.564 10.801 1.992 5 HA3 GLY 1 HA3 GLY 1 -0.109 11.629 3.324 6 H ASN 2 H ASN 2 -1.590 8.641 2.319 7 HA ASN 2 HA ASN 2 -0.589 7.385 4.709 8 HB2 ASN 2 HB2 ASN 2 -2.753 6.775 2.933 9 HB3 ASN 2 HB3 ASN 2 -2.045 5.498 3.663 10 HD21 ASN 2 HD21 ASN 2 -3.723 8.489 4.238 11 HD22 ASN 2 HD22 ASN 2 -4.343 8.062 5.798 12 H HIS 3 H HIS 3 -0.133 4.880 4.318 13 HA HIS 3 HA HIS 3 2.183 4.894 2.665 14 HB2 HIS 3 HB2 HIS 3 1.497 3.533 4.862 15 HB3 HIS 3 HB3 HIS 3 1.533 2.396 3.690 16 HD2 HIS 3 HD2 HIS 3 4.018 1.572 2.919 17 HE1 HIS 3 HE1 HIS 3 6.135 4.211 5.218 18 HE2 HIS 3 HE2 HIS 3 6.383 2.241 3.740 19 H TRP 4 H TRP 4 2.479 2.436 1.642 20 HA TRP 4 HA TRP 4 0.366 2.342 -0.333 21 HB2 TRP 4 HB2 TRP 4 2.048 1.314 -1.780 22 HB3 TRP 4 HB3 TRP 4 2.397 2.860 -1.386 23 HD1 TRP 4 HD1 TRP 4 4.455 3.251 0.322 24 HE1 TRP 4 HE1 TRP 4 6.473 1.859 0.947 25 HE3 TRP 4 HE3 TRP 4 2.856 -1.116 -1.517 26 HZ2 TRP 4 HZ2 TRP 4 7.173 -0.826 0.622 27 HZ3 TRP 4 HZ3 TRP 4 4.254 -3.032 -1.319 28 HH2 TRP 4 HH2 TRP 4 6.382 -2.892 -0.263 29 H ALA 5 H ALA 5 2.517 0.323 1.497 30 HA ALA 5 HA ALA 5 1.541 -2.127 0.794 31 HB1 ALA 5 HB1 ALA 5 2.522 -1.368 3.390 32 HB2 ALA 5 HB2 ALA 5 2.393 -2.912 2.872 33 HB3 ALA 5 HB3 ALA 5 3.451 -1.895 2.154 34 H VAL 6 H VAL 6 0.105 0.216 2.816 35 HA VAL 6 HA VAL 6 -1.694 -1.277 4.213 36 HB VAL 6 HB VAL 6 -3.077 0.656 4.310 37 HG11 VAL 6 HG11 VAL 6 -0.297 1.332 4.573 38 HG12 VAL 6 HG12 VAL 6 -1.529 2.182 5.227 39 HG13 VAL 6 HG13 VAL 6 -1.221 0.663 5.741 40 HG21 VAL 6 HG21 VAL 6 -2.922 1.351 2.043 41 HG22 VAL 6 HG22 VAL 6 -2.534 2.594 3.028 42 HG23 VAL 6 HG23 VAL 6 -1.357 1.758 2.266 43 H GLY 7 H GLY 7 -1.759 -0.502 0.885 44 HA2 GLY 7 HA2 GLY 7 -4.252 -1.972 0.640 45 HA3 GLY 7 HA3 GLY 7 -3.883 -0.705 -0.321 46 H HIS 8 H HIS 8 -1.103 -1.463 -0.627 47 HA HIS 8 HA HIS 8 -1.434 -3.243 -2.803 48 HB2 HIS 8 HB2 HIS 8 0.500 -1.469 -2.003 49 HB3 HIS 8 HB3 HIS 8 1.212 -2.908 -2.300 50 HD2 HIS 8 HD2 HIS 8 -1.506 -1.316 -4.480 51 HE1 HIS 8 HE1 HIS 8 1.821 -1.884 -6.789 52 HE2 HIS 8 HE2 HIS 8 -0.531 -1.127 -6.873 53 H LEU 9 H LEU 9 -0.722 -3.599 0.456 54 HA LEU 9 HA LEU 9 0.029 -6.368 0.019 55 HB2 LEU 9 HB2 LEU 9 1.119 -4.473 1.845 56 HB3 LEU 9 HB3 LEU 9 1.100 -6.043 2.291 57 HG LEU 9 HG LEU 9 2.502 -5.036 -0.009 58 HD11 LEU 9 HD11 LEU 9 3.580 -4.382 2.009 59 HD12 LEU 9 HD12 LEU 9 3.591 -5.937 2.507 60 HD13 LEU 9 HD13 LEU 9 4.487 -5.486 1.219 61 HD21 LEU 9 HD21 LEU 9 1.790 -7.225 -0.371 62 HD22 LEU 9 HD22 LEU 9 3.416 -7.208 -0.211 63 HD23 LEU 9 HD23 LEU 9 2.478 -7.699 1.033 64 H MET 10 H MET 10 -0.944 -4.487 2.796 65 HA MET 10 HA MET 10 -2.950 -6.496 3.364 66 HB2 MET 10 HB2 MET 10 -2.814 -5.765 5.644 67 HB3 MET 10 HB3 MET 10 -1.365 -6.294 5.109 68 HG2 MET 10 HG2 MET 10 -1.827 -3.530 4.862 69 HG3 MET 10 HG3 MET 10 -1.633 -4.084 6.385 70 HE1 MET 10 HE1 MET 10 0.307 -1.929 5.403 71 HE2 MET 10 HE2 MET 10 0.495 -2.630 6.865 72 HE3 MET 10 HE3 MET 10 1.770 -2.498 5.854 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -2.402 11.641 4.281 2 H2 GLY 1 H2 GLY 1 -2.310 12.353 2.815 3 H3 GLY 1 H3 GLY 1 -2.890 10.833 2.949 4 HA2 GLY 1 HA2 GLY 1 -0.718 10.821 2.161 5 HA3 GLY 1 HA3 GLY 1 -0.231 11.629 3.494 6 H ASN 2 H ASN 2 -1.443 8.636 2.291 7 HA ASN 2 HA ASN 2 -0.604 7.356 4.740 8 HB2 ASN 2 HB2 ASN 2 -2.748 6.778 2.928 9 HB3 ASN 2 HB3 ASN 2 -2.053 5.491 3.653 10 HD21 ASN 2 HD21 ASN 2 -2.123 5.237 5.964 11 HD22 ASN 2 HD22 ASN 2 -3.379 6.032 6.853 12 H HIS 3 H HIS 3 -0.149 4.858 4.313 13 HA HIS 3 HA HIS 3 2.172 4.897 2.662 14 HB2 HIS 3 HB2 HIS 3 1.517 3.535 4.863 15 HB3 HIS 3 HB3 HIS 3 1.533 2.394 3.695 16 HD2 HIS 3 HD2 HIS 3 4.005 1.550 2.908 17 HE1 HIS 3 HE1 HIS 3 6.164 4.208 5.142 18 HE2 HIS 3 HE2 HIS 3 6.380 2.219 3.683 19 H TRP 4 H TRP 4 2.486 2.445 1.633 20 HA TRP 4 HA TRP 4 0.371 2.341 -0.337 21 HB2 TRP 4 HB2 TRP 4 2.055 1.310 -1.780 22 HB3 TRP 4 HB3 TRP 4 2.402 2.857 -1.389 23 HD1 TRP 4 HD1 TRP 4 4.457 3.250 0.323 24 HE1 TRP 4 HE1 TRP 4 6.475 1.860 0.951 25 HE3 TRP 4 HE3 TRP 4 2.863 -1.117 -1.515 26 HZ2 TRP 4 HZ2 TRP 4 7.177 -0.823 0.631 27 HZ3 TRP 4 HZ3 TRP 4 4.262 -3.033 -1.314 28 HH2 TRP 4 HH2 TRP 4 6.390 -2.891 -0.254 29 H ALA 5 H ALA 5 2.521 0.322 1.496 30 HA ALA 5 HA ALA 5 1.541 -2.125 0.795 31 HB1 ALA 5 HB1 ALA 5 2.525 -1.365 3.390 32 HB2 ALA 5 HB2 ALA 5 2.393 -2.909 2.875 33 HB3 ALA 5 HB3 ALA 5 3.452 -1.895 2.155 34 H VAL 6 H VAL 6 0.106 0.221 2.814 35 HA VAL 6 HA VAL 6 -1.692 -1.270 4.212 36 HB VAL 6 HB VAL 6 -3.076 0.662 4.306 37 HG11 VAL 6 HG11 VAL 6 -0.295 1.339 4.572 38 HG12 VAL 6 HG12 VAL 6 -1.528 2.189 5.225 39 HG13 VAL 6 HG13 VAL 6 -1.221 0.670 5.739 40 HG21 VAL 6 HG21 VAL 6 -2.917 1.357 2.038 41 HG22 VAL 6 HG22 VAL 6 -2.530 2.600 3.023 42 HG23 VAL 6 HG23 VAL 6 -1.352 1.764 2.263 43 H GLY 7 H GLY 7 -1.757 -0.500 0.884 44 HA2 GLY 7 HA2 GLY 7 -4.252 -1.968 0.641 45 HA3 GLY 7 HA3 GLY 7 -3.880 -0.703 -0.324 46 H HIS 8 H HIS 8 -1.106 -1.456 -0.637 47 HA HIS 8 HA HIS 8 -1.436 -3.246 -2.804 48 HB2 HIS 8 HB2 HIS 8 0.496 -1.470 -2.009 49 HB3 HIS 8 HB3 HIS 8 1.209 -2.910 -2.300 50 HD2 HIS 8 HD2 HIS 8 -1.519 -1.361 -4.494 51 HE1 HIS 8 HE1 HIS 8 1.826 -1.879 -6.789 52 HE2 HIS 8 HE2 HIS 8 -0.541 -1.163 -6.884 53 H LEU 9 H LEU 9 -0.718 -3.592 0.455 54 HA LEU 9 HA LEU 9 0.031 -6.363 0.027 55 HB2 LEU 9 HB2 LEU 9 1.123 -4.465 1.845 56 HB3 LEU 9 HB3 LEU 9 1.103 -6.035 2.294 57 HG LEU 9 HG LEU 9 2.502 -5.032 -0.010 58 HD11 LEU 9 HD11 LEU 9 3.585 -4.375 2.004 59 HD12 LEU 9 HD12 LEU 9 3.596 -5.930 2.506 60 HD13 LEU 9 HD13 LEU 9 4.490 -5.482 1.215 61 HD21 LEU 9 HD21 LEU 9 1.788 -7.224 -0.365 62 HD22 LEU 9 HD22 LEU 9 3.414 -7.208 -0.208 63 HD23 LEU 9 HD23 LEU 9 2.478 -7.695 1.038 64 H MET 10 H MET 10 -0.904 -4.502 2.826 65 HA MET 10 HA MET 10 -2.826 -6.546 3.490 66 HB2 MET 10 HB2 MET 10 -2.731 -5.792 5.673 67 HB3 MET 10 HB3 MET 10 -1.184 -5.800 5.153 68 HG2 MET 10 HG2 MET 10 -1.665 -3.389 4.606 69 HG3 MET 10 HG3 MET 10 -2.838 -3.568 5.728 70 HE1 MET 10 HE1 MET 10 0.939 -4.043 5.180 71 HE2 MET 10 HE2 MET 10 0.558 -2.455 5.196 72 HE3 MET 10 HE3 MET 10 1.505 -3.079 6.371 Start of MODEL 13 1 H1 GLY 1 H GLY 1 1.263 11.469 2.809 2 H2 GLY 1 H2 GLY 1 0.225 12.722 2.678 3 H3 GLY 1 H3 GLY 1 0.536 12.068 4.142 4 HA2 GLY 1 HA2 GLY 1 -1.514 11.361 3.342 5 HA3 GLY 1 HA3 GLY 1 -0.786 10.761 2.009 6 H ASN 2 H ASN 2 -1.602 8.666 2.359 7 HA ASN 2 HA ASN 2 -0.590 7.378 4.720 8 HB2 ASN 2 HB2 ASN 2 -2.736 6.780 2.913 9 HB3 ASN 2 HB3 ASN 2 -2.046 5.505 3.664 10 HD21 ASN 2 HD21 ASN 2 -1.661 5.989 6.163 11 HD22 ASN 2 HD22 ASN 2 -3.096 6.540 6.961 12 H HIS 3 H HIS 3 -0.138 4.876 4.314 13 HA HIS 3 HA HIS 3 2.181 4.899 2.662 14 HB2 HIS 3 HB2 HIS 3 1.514 3.542 4.864 15 HB3 HIS 3 HB3 HIS 3 1.520 2.400 3.697 16 HD2 HIS 3 HD2 HIS 3 3.983 1.518 2.931 17 HE1 HIS 3 HE1 HIS 3 6.168 4.184 5.129 18 HE2 HIS 3 HE2 HIS 3 6.368 2.181 3.698 19 H TRP 4 H TRP 4 2.479 2.436 1.642 20 HA TRP 4 HA TRP 4 0.366 2.342 -0.331 21 HB2 TRP 4 HB2 TRP 4 2.048 1.312 -1.778 22 HB3 TRP 4 HB3 TRP 4 2.396 2.859 -1.387 23 HD1 TRP 4 HD1 TRP 4 4.454 3.251 0.323 24 HE1 TRP 4 HE1 TRP 4 6.473 1.859 0.948 25 HE3 TRP 4 HE3 TRP 4 2.856 -1.115 -1.517 26 HZ2 TRP 4 HZ2 TRP 4 7.173 -0.826 0.624 27 HZ3 TRP 4 HZ3 TRP 4 4.255 -3.032 -1.319 28 HH2 TRP 4 HH2 TRP 4 6.384 -2.890 -0.263 29 H ALA 5 H ALA 5 2.519 0.323 1.496 30 HA ALA 5 HA ALA 5 1.541 -2.127 0.795 31 HB1 ALA 5 HB1 ALA 5 2.523 -1.367 3.391 32 HB2 ALA 5 HB2 ALA 5 2.393 -2.910 2.874 33 HB3 ALA 5 HB3 ALA 5 3.451 -1.895 2.155 34 H VAL 6 H VAL 6 0.103 0.216 2.816 35 HA VAL 6 HA VAL 6 -1.693 -1.278 4.213 36 HB VAL 6 HB VAL 6 -3.077 0.656 4.309 37 HG11 VAL 6 HG11 VAL 6 -0.297 1.331 4.574 38 HG12 VAL 6 HG12 VAL 6 -1.528 2.181 5.227 39 HG13 VAL 6 HG13 VAL 6 -1.222 0.662 5.741 40 HG21 VAL 6 HG21 VAL 6 -2.920 1.351 2.043 41 HG22 VAL 6 HG22 VAL 6 -2.533 2.594 3.028 42 HG23 VAL 6 HG23 VAL 6 -1.355 1.758 2.267 43 H GLY 7 H GLY 7 -1.760 -0.501 0.883 44 HA2 GLY 7 HA2 GLY 7 -4.252 -1.972 0.640 45 HA3 GLY 7 HA3 GLY 7 -3.883 -0.705 -0.322 46 H HIS 8 H HIS 8 -1.105 -1.460 -0.630 47 HA HIS 8 HA HIS 8 -1.433 -3.243 -2.804 48 HB2 HIS 8 HB2 HIS 8 0.497 -1.468 -2.005 49 HB3 HIS 8 HB3 HIS 8 1.211 -2.906 -2.297 50 HD2 HIS 8 HD2 HIS 8 -1.503 -1.320 -4.486 51 HE1 HIS 8 HE1 HIS 8 1.827 -1.897 -6.789 52 HE2 HIS 8 HE2 HIS 8 -0.525 -1.137 -6.877 53 H LEU 9 H LEU 9 -0.720 -3.598 0.454 54 HA LEU 9 HA LEU 9 0.028 -6.369 0.020 55 HB2 LEU 9 HB2 LEU 9 1.119 -4.473 1.844 56 HB3 LEU 9 HB3 LEU 9 1.101 -6.043 2.290 57 HG LEU 9 HG LEU 9 2.500 -5.033 -0.010 58 HD11 LEU 9 HD11 LEU 9 3.580 -4.384 2.007 59 HD12 LEU 9 HD12 LEU 9 3.592 -5.939 2.503 60 HD13 LEU 9 HD13 LEU 9 4.486 -5.487 1.214 61 HD21 LEU 9 HD21 LEU 9 1.788 -7.224 -0.374 62 HD22 LEU 9 HD22 LEU 9 3.413 -7.206 -0.216 63 HD23 LEU 9 HD23 LEU 9 2.477 -7.699 1.028 64 H MET 10 H MET 10 -0.930 -4.494 2.806 65 HA MET 10 HA MET 10 -2.954 -6.488 3.360 66 HB2 MET 10 HB2 MET 10 -2.795 -5.807 5.648 67 HB3 MET 10 HB3 MET 10 -1.348 -6.325 5.096 68 HG2 MET 10 HG2 MET 10 -1.815 -3.554 4.907 69 HG3 MET 10 HG3 MET 10 -1.607 -4.141 6.417 70 HE1 MET 10 HE1 MET 10 0.315 -1.959 5.409 71 HE2 MET 10 HE2 MET 10 0.518 -2.656 6.872 72 HE3 MET 10 HE3 MET 10 1.784 -2.521 5.849 Start of MODEL 14 1 H1 GLY 1 H GLY 1 0.522 12.038 4.174 2 H2 GLY 1 H2 GLY 1 -0.598 12.943 3.403 3 H3 GLY 1 H3 GLY 1 -1.006 12.106 4.745 4 HA2 GLY 1 HA2 GLY 1 -1.765 11.035 2.844 5 HA3 GLY 1 HA3 GLY 1 -0.237 10.967 2.272 6 H ASN 2 H ASN 2 -1.503 8.650 2.318 7 HA ASN 2 HA ASN 2 -0.606 7.358 4.737 8 HB2 ASN 2 HB2 ASN 2 -2.747 6.788 2.921 9 HB3 ASN 2 HB3 ASN 2 -2.055 5.496 3.642 10 HD21 ASN 2 HD21 ASN 2 -1.822 5.625 6.096 11 HD22 ASN 2 HD22 ASN 2 -3.195 6.270 6.931 12 H HIS 3 H HIS 3 -0.150 4.861 4.312 13 HA HIS 3 HA HIS 3 2.175 4.898 2.668 14 HB2 HIS 3 HB2 HIS 3 1.519 3.541 4.868 15 HB3 HIS 3 HB3 HIS 3 1.517 2.397 3.703 16 HD2 HIS 3 HD2 HIS 3 3.973 1.507 2.932 17 HE1 HIS 3 HE1 HIS 3 6.174 4.181 5.106 18 HE2 HIS 3 HE2 HIS 3 6.363 2.165 3.682 19 H TRP 4 H TRP 4 2.484 2.442 1.641 20 HA TRP 4 HA TRP 4 0.374 2.344 -0.335 21 HB2 TRP 4 HB2 TRP 4 2.062 1.316 -1.776 22 HB3 TRP 4 HB3 TRP 4 2.409 2.862 -1.382 23 HD1 TRP 4 HD1 TRP 4 4.463 3.253 0.331 24 HE1 TRP 4 HE1 TRP 4 6.479 1.859 0.964 25 HE3 TRP 4 HE3 TRP 4 2.865 -1.113 -1.508 26 HZ2 TRP 4 HZ2 TRP 4 7.175 -0.826 0.645 27 HZ3 TRP 4 HZ3 TRP 4 4.261 -3.032 -1.305 28 HH2 TRP 4 HH2 TRP 4 6.388 -2.892 -0.242 29 H ALA 5 H ALA 5 2.520 0.323 1.497 30 HA ALA 5 HA ALA 5 1.540 -2.124 0.791 31 HB1 ALA 5 HB1 ALA 5 2.524 -1.370 3.388 32 HB2 ALA 5 HB2 ALA 5 2.392 -2.913 2.869 33 HB3 ALA 5 HB3 ALA 5 3.451 -1.898 2.151 34 H VAL 6 H VAL 6 0.106 0.221 2.811 35 HA VAL 6 HA VAL 6 -1.693 -1.270 4.211 36 HB VAL 6 HB VAL 6 -3.077 0.667 4.300 37 HG11 VAL 6 HG11 VAL 6 -0.295 1.338 4.574 38 HG12 VAL 6 HG12 VAL 6 -1.528 2.191 5.222 39 HG13 VAL 6 HG13 VAL 6 -1.226 0.672 5.739 40 HG21 VAL 6 HG21 VAL 6 -2.912 1.358 2.034 41 HG22 VAL 6 HG22 VAL 6 -2.526 2.602 3.019 42 HG23 VAL 6 HG23 VAL 6 -1.347 1.763 2.262 43 H GLY 7 H GLY 7 -1.758 -0.503 0.882 44 HA2 GLY 7 HA2 GLY 7 -4.253 -1.969 0.641 45 HA3 GLY 7 HA3 GLY 7 -3.881 -0.706 -0.324 46 H HIS 8 H HIS 8 -1.108 -1.459 -0.638 47 HA HIS 8 HA HIS 8 -1.440 -3.251 -2.803 48 HB2 HIS 8 HB2 HIS 8 0.493 -1.475 -2.013 49 HB3 HIS 8 HB3 HIS 8 1.206 -2.915 -2.304 50 HD2 HIS 8 HD2 HIS 8 -1.541 -1.423 -4.505 51 HE1 HIS 8 HE1 HIS 8 1.828 -1.846 -6.787 52 HE2 HIS 8 HE2 HIS 8 -0.559 -1.196 -6.891 53 H LEU 9 H LEU 9 -0.715 -3.592 0.456 54 HA LEU 9 HA LEU 9 0.033 -6.364 0.030 55 HB2 LEU 9 HB2 LEU 9 1.128 -4.460 1.843 56 HB3 LEU 9 HB3 LEU 9 1.110 -6.028 2.298 57 HG LEU 9 HG LEU 9 2.505 -5.033 -0.011 58 HD11 LEU 9 HD11 LEU 9 3.589 -4.370 2.000 59 HD12 LEU 9 HD12 LEU 9 3.601 -5.922 2.506 60 HD13 LEU 9 HD13 LEU 9 4.493 -5.478 1.212 61 HD21 LEU 9 HD21 LEU 9 1.793 -7.225 -0.361 62 HD22 LEU 9 HD22 LEU 9 3.418 -7.208 -0.206 63 HD23 LEU 9 HD23 LEU 9 2.484 -7.692 1.043 64 H MET 10 H MET 10 -0.886 -4.513 2.840 65 HA MET 10 HA MET 10 -2.912 -6.500 3.403 66 HB2 MET 10 HB2 MET 10 -2.691 -5.988 5.660 67 HB3 MET 10 HB3 MET 10 -1.173 -6.150 5.082 68 HG2 MET 10 HG2 MET 10 -1.304 -3.663 4.805 69 HG3 MET 10 HG3 MET 10 -2.495 -3.779 5.916 70 HE1 MET 10 HE1 MET 10 1.210 -3.907 5.275 71 HE2 MET 10 HE2 MET 10 0.655 -2.474 5.828 72 HE3 MET 10 HE3 MET 10 1.719 -3.335 6.717 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -0.406 12.185 4.596 2 H2 GLY 1 H2 GLY 1 -1.272 12.885 3.401 3 H3 GLY 1 H3 GLY 1 -1.986 11.818 4.409 4 HA2 GLY 1 HA2 GLY 1 -1.518 10.839 2.370 5 HA3 GLY 1 HA3 GLY 1 0.062 11.206 2.557 6 H ASN 2 H ASN 2 -1.501 8.644 2.296 7 HA ASN 2 HA ASN 2 -0.569 7.385 4.718 8 HB2 ASN 2 HB2 ASN 2 -2.740 6.799 2.945 9 HB3 ASN 2 HB3 ASN 2 -2.034 5.510 3.656 10 HD21 ASN 2 HD21 ASN 2 -2.927 4.763 5.481 11 HD22 ASN 2 HD22 ASN 2 -3.835 5.748 6.580 12 H HIS 3 H HIS 3 -0.116 4.885 4.326 13 HA HIS 3 HA HIS 3 2.190 4.894 2.661 14 HB2 HIS 3 HB2 HIS 3 1.525 3.544 4.865 15 HB3 HIS 3 HB3 HIS 3 1.524 2.399 3.699 16 HD2 HIS 3 HD2 HIS 3 3.979 1.485 2.963 17 HE1 HIS 3 HE1 HIS 3 6.183 4.192 5.094 18 HE2 HIS 3 HE2 HIS 3 6.368 2.151 3.703 19 H TRP 4 H TRP 4 2.481 2.437 1.635 20 HA TRP 4 HA TRP 4 0.356 2.345 -0.326 21 HB2 TRP 4 HB2 TRP 4 2.033 1.321 -1.785 22 HB3 TRP 4 HB3 TRP 4 2.385 2.865 -1.389 23 HD1 TRP 4 HD1 TRP 4 4.456 3.250 0.300 24 HE1 TRP 4 HE1 TRP 4 6.474 1.852 0.915 25 HE3 TRP 4 HE3 TRP 4 2.831 -1.115 -1.520 26 HZ2 TRP 4 HZ2 TRP 4 7.162 -0.837 0.592 27 HZ3 TRP 4 HZ3 TRP 4 4.223 -3.035 -1.327 28 HH2 TRP 4 HH2 TRP 4 6.358 -2.901 -0.286 29 H ALA 5 H ALA 5 2.513 0.329 1.497 30 HA ALA 5 HA ALA 5 1.542 -2.122 0.794 31 HB1 ALA 5 HB1 ALA 5 3.449 -1.888 2.155 32 HB2 ALA 5 HB2 ALA 5 2.519 -1.362 3.390 33 HB3 ALA 5 HB3 ALA 5 2.393 -2.906 2.872 34 H VAL 6 H VAL 6 0.100 0.218 2.815 35 HA VAL 6 HA VAL 6 -1.697 -1.277 4.212 36 HB VAL 6 HB VAL 6 -3.084 0.653 4.305 37 HG11 VAL 6 HG11 VAL 6 -0.305 1.335 4.572 38 HG12 VAL 6 HG12 VAL 6 -1.538 2.183 5.224 39 HG13 VAL 6 HG13 VAL 6 -1.229 0.664 5.739 40 HG21 VAL 6 HG21 VAL 6 -2.926 1.347 2.038 41 HG22 VAL 6 HG22 VAL 6 -2.542 2.592 3.023 42 HG23 VAL 6 HG23 VAL 6 -1.362 1.758 2.264 43 H GLY 7 H GLY 7 -1.763 -0.503 0.884 44 HA2 GLY 7 HA2 GLY 7 -4.253 -1.977 0.639 45 HA3 GLY 7 HA3 GLY 7 -3.886 -0.709 -0.322 46 H HIS 8 H HIS 8 -1.103 -1.466 -0.623 47 HA HIS 8 HA HIS 8 -1.430 -3.243 -2.802 48 HB2 HIS 8 HB2 HIS 8 0.497 -1.465 -2.004 49 HB3 HIS 8 HB3 HIS 8 1.215 -2.903 -2.291 50 HD2 HIS 8 HD2 HIS 8 -1.485 -1.286 -4.480 51 HE1 HIS 8 HE1 HIS 8 1.825 -1.933 -6.790 52 HE2 HIS 8 HE2 HIS 8 -0.511 -1.127 -6.874 53 H LEU 9 H LEU 9 -0.721 -3.601 0.456 54 HA LEU 9 HA LEU 9 0.034 -6.369 0.021 55 HB2 LEU 9 HB2 LEU 9 1.119 -4.473 1.847 56 HB3 LEU 9 HB3 LEU 9 1.103 -6.044 2.291 57 HG LEU 9 HG LEU 9 2.503 -5.030 -0.007 58 HD11 LEU 9 HD11 LEU 9 3.580 -4.379 2.011 59 HD12 LEU 9 HD12 LEU 9 3.594 -5.935 2.506 60 HD13 LEU 9 HD13 LEU 9 4.489 -5.480 1.218 61 HD21 LEU 9 HD21 LEU 9 1.796 -7.222 -0.373 62 HD22 LEU 9 HD22 LEU 9 3.421 -7.202 -0.213 63 HD23 LEU 9 HD23 LEU 9 2.484 -7.696 1.030 64 H MET 10 H MET 10 -0.853 -4.570 2.872 65 HA MET 10 HA MET 10 -2.720 -6.625 3.577 66 HB2 MET 10 HB2 MET 10 -2.774 -5.641 5.698 67 HB3 MET 10 HB3 MET 10 -1.209 -5.709 5.238 68 HG2 MET 10 HG2 MET 10 -1.602 -3.370 4.454 69 HG3 MET 10 HG3 MET 10 -2.871 -3.416 5.481 70 HE1 MET 10 HE1 MET 10 0.863 -4.397 5.486 71 HE2 MET 10 HE2 MET 10 0.760 -2.811 5.110 72 HE3 MET 10 HE3 MET 10 1.460 -3.274 6.511 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -2.342 12.003 4.626 2 H2 GLY 1 H2 GLY 1 -2.611 12.637 3.146 3 H3 GLY 1 H3 GLY 1 -3.456 11.330 3.640 4 HA2 GLY 1 HA2 GLY 1 -1.784 10.721 2.166 5 HA3 GLY 1 HA3 GLY 1 -0.670 11.394 3.152 6 H ASN 2 H ASN 2 -0.885 8.657 2.182 7 HA ASN 2 HA ASN 2 -0.594 7.383 4.705 8 HB2 ASN 2 HB2 ASN 2 -2.754 6.770 2.923 9 HB3 ASN 2 HB3 ASN 2 -2.050 5.497 3.663 10 HD21 ASN 2 HD21 ASN 2 -2.534 4.945 5.748 11 HD22 ASN 2 HD22 ASN 2 -3.616 5.881 6.724 12 H HIS 3 H HIS 3 -0.131 4.881 4.320 13 HA HIS 3 HA HIS 3 2.181 4.896 2.665 14 HB2 HIS 3 HB2 HIS 3 1.516 3.548 4.867 15 HB3 HIS 3 HB3 HIS 3 1.508 2.400 3.706 16 HD2 HIS 3 HD2 HIS 3 3.962 1.513 2.911 17 HE1 HIS 3 HE1 HIS 3 6.174 4.144 5.123 18 HE2 HIS 3 HE2 HIS 3 6.353 2.149 3.673 19 H TRP 4 H TRP 4 2.478 2.435 1.643 20 HA TRP 4 HA TRP 4 0.367 2.343 -0.331 21 HB2 TRP 4 HB2 TRP 4 2.053 1.316 -1.778 22 HB3 TRP 4 HB3 TRP 4 2.399 2.863 -1.384 23 HD1 TRP 4 HD1 TRP 4 4.454 3.255 0.325 24 HE1 TRP 4 HE1 TRP 4 6.473 1.867 0.954 25 HE3 TRP 4 HE3 TRP 4 2.862 -1.114 -1.513 26 HZ2 TRP 4 HZ2 TRP 4 7.177 -0.820 0.631 27 HZ3 TRP 4 HZ3 TRP 4 4.262 -3.028 -1.312 28 HH2 TRP 4 HH2 TRP 4 6.388 -2.886 -0.253 29 H ALA 5 H ALA 5 2.516 0.323 1.499 30 HA ALA 5 HA ALA 5 1.540 -2.126 0.792 31 HB1 ALA 5 HB1 ALA 5 2.524 -1.370 3.387 32 HB2 ALA 5 HB2 ALA 5 2.393 -2.913 2.868 33 HB3 ALA 5 HB3 ALA 5 3.450 -1.896 2.149 34 H VAL 6 H VAL 6 0.103 0.218 2.814 35 HA VAL 6 HA VAL 6 -1.693 -1.277 4.212 36 HB VAL 6 HB VAL 6 -3.077 0.656 4.309 37 HG11 VAL 6 HG11 VAL 6 -0.296 1.331 4.573 38 HG12 VAL 6 HG12 VAL 6 -1.527 2.181 5.228 39 HG13 VAL 6 HG13 VAL 6 -1.221 0.661 5.741 40 HG21 VAL 6 HG21 VAL 6 -2.918 1.353 2.042 41 HG22 VAL 6 HG22 VAL 6 -2.531 2.595 3.028 42 HG23 VAL 6 HG23 VAL 6 -1.353 1.759 2.268 43 H GLY 7 H GLY 7 -1.760 -0.503 0.883 44 HA2 GLY 7 HA2 GLY 7 -4.253 -1.972 0.640 45 HA3 GLY 7 HA3 GLY 7 -3.884 -0.705 -0.321 46 H HIS 8 H HIS 8 -1.103 -1.465 -0.623 47 HA HIS 8 HA HIS 8 -1.434 -3.242 -2.802 48 HB2 HIS 8 HB2 HIS 8 0.497 -1.468 -2.003 49 HB3 HIS 8 HB3 HIS 8 1.210 -2.907 -2.298 50 HD2 HIS 8 HD2 HIS 8 -1.510 -1.332 -4.483 51 HE1 HIS 8 HE1 HIS 8 1.824 -1.879 -6.786 52 HE2 HIS 8 HE2 HIS 8 -0.535 -1.136 -6.875 53 H LEU 9 H LEU 9 -0.718 -3.599 0.456 54 HA LEU 9 HA LEU 9 0.032 -6.369 0.018 55 HB2 LEU 9 HB2 LEU 9 1.120 -4.473 1.844 56 HB3 LEU 9 HB3 LEU 9 1.102 -6.043 2.291 57 HG LEU 9 HG LEU 9 2.505 -5.034 -0.008 58 HD11 LEU 9 HD11 LEU 9 3.581 -4.381 2.012 59 HD12 LEU 9 HD12 LEU 9 3.592 -5.937 2.509 60 HD13 LEU 9 HD13 LEU 9 4.489 -5.484 1.221 61 HD21 LEU 9 HD21 LEU 9 1.794 -7.225 -0.371 62 HD22 LEU 9 HD22 LEU 9 3.419 -7.208 -0.211 63 HD23 LEU 9 HD23 LEU 9 2.481 -7.699 1.032 64 H MET 10 H MET 10 -0.947 -4.485 2.790 65 HA MET 10 HA MET 10 -2.970 -6.485 3.342 66 HB2 MET 10 HB2 MET 10 -2.805 -5.835 5.633 67 HB3 MET 10 HB3 MET 10 -1.353 -6.331 5.075 68 HG2 MET 10 HG2 MET 10 -1.858 -3.563 4.930 69 HG3 MET 10 HG3 MET 10 -1.623 -4.173 6.426 70 HE1 MET 10 HE1 MET 10 0.224 -1.933 5.226 71 HE2 MET 10 HE2 MET 10 0.459 -2.516 6.733 72 HE3 MET 10 HE3 MET 10 1.712 -2.421 5.689 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -2.227 11.169 3.537 2 H2 GLY 1 H2 GLY 1 -1.934 12.030 2.181 3 H3 GLY 1 H3 GLY 1 -2.262 10.433 2.080 4 HA2 GLY 1 HA2 GLY 1 0.000 10.828 1.826 5 HA3 GLY 1 HA3 GLY 1 0.036 11.563 3.283 6 H ASN 2 H ASN 2 -1.838 8.757 2.623 7 HA ASN 2 HA ASN 2 -0.606 7.363 4.733 8 HB2 ASN 2 HB2 ASN 2 -2.745 6.794 2.911 9 HB3 ASN 2 HB3 ASN 2 -2.057 5.501 3.633 10 HD21 ASN 2 HD21 ASN 2 -2.425 4.998 5.785 11 HD22 ASN 2 HD22 ASN 2 -3.572 5.885 6.732 12 H HIS 3 H HIS 3 -0.157 4.861 4.307 13 HA HIS 3 HA HIS 3 2.173 4.896 2.670 14 HB2 HIS 3 HB2 HIS 3 1.491 3.529 4.865 15 HB3 HIS 3 HB3 HIS 3 1.530 2.393 3.692 16 HD2 HIS 3 HD2 HIS 3 4.015 1.549 2.961 17 HE1 HIS 3 HE1 HIS 3 6.130 4.239 5.197 18 HE2 HIS 3 HE2 HIS 3 6.378 2.241 3.764 19 H TRP 4 H TRP 4 2.482 2.440 1.644 20 HA TRP 4 HA TRP 4 0.377 2.343 -0.337 21 HB2 TRP 4 HB2 TRP 4 2.068 1.312 -1.773 22 HB3 TRP 4 HB3 TRP 4 2.412 2.860 -1.382 23 HD1 TRP 4 HD1 TRP 4 4.464 3.259 0.329 24 HE1 TRP 4 HE1 TRP 4 6.481 1.869 0.970 25 HE3 TRP 4 HE3 TRP 4 2.872 -1.117 -1.492 26 HZ2 TRP 4 HZ2 TRP 4 7.180 -0.816 0.664 27 HZ3 TRP 4 HZ3 TRP 4 4.268 -3.034 -1.276 28 HH2 TRP 4 HH2 TRP 4 6.393 -2.888 -0.210 29 H ALA 5 H ALA 5 2.521 0.321 1.498 30 HA ALA 5 HA ALA 5 1.539 -2.126 0.790 31 HB1 ALA 5 HB1 ALA 5 2.526 -1.373 3.386 32 HB2 ALA 5 HB2 ALA 5 2.392 -2.916 2.866 33 HB3 ALA 5 HB3 ALA 5 3.451 -1.901 2.148 34 H VAL 6 H VAL 6 0.108 0.220 2.812 35 HA VAL 6 HA VAL 6 -1.691 -1.269 4.212 36 HB VAL 6 HB VAL 6 -3.075 0.665 4.301 37 HG11 VAL 6 HG11 VAL 6 -0.293 1.336 4.575 38 HG12 VAL 6 HG12 VAL 6 -1.526 2.189 5.224 39 HG13 VAL 6 HG13 VAL 6 -1.224 0.669 5.739 40 HG21 VAL 6 HG21 VAL 6 -2.909 1.359 2.034 41 HG22 VAL 6 HG22 VAL 6 -2.523 2.602 3.019 42 HG23 VAL 6 HG23 VAL 6 -1.343 1.763 2.263 43 H GLY 7 H GLY 7 -1.760 -0.499 0.882 44 HA2 GLY 7 HA2 GLY 7 -4.253 -1.968 0.642 45 HA3 GLY 7 HA3 GLY 7 -3.883 -0.704 -0.322 46 H HIS 8 H HIS 8 -1.106 -1.461 -0.631 47 HA HIS 8 HA HIS 8 -1.439 -3.248 -2.801 48 HB2 HIS 8 HB2 HIS 8 0.495 -1.472 -2.009 49 HB3 HIS 8 HB3 HIS 8 1.207 -2.912 -2.301 50 HD2 HIS 8 HD2 HIS 8 -1.546 -1.453 -4.511 51 HE1 HIS 8 HE1 HIS 8 1.842 -1.813 -6.775 52 HE2 HIS 8 HE2 HIS 8 -0.556 -1.208 -6.892 53 H LEU 9 H LEU 9 -0.724 -3.597 0.457 54 HA LEU 9 HA LEU 9 0.027 -6.368 0.026 55 HB2 LEU 9 HB2 LEU 9 1.120 -4.470 1.846 56 HB3 LEU 9 HB3 LEU 9 1.101 -6.040 2.294 57 HG LEU 9 HG LEU 9 2.499 -5.036 -0.010 58 HD11 LEU 9 HD11 LEU 9 3.580 -4.380 2.005 59 HD12 LEU 9 HD12 LEU 9 3.592 -5.934 2.505 60 HD13 LEU 9 HD13 LEU 9 4.486 -5.485 1.214 61 HD21 LEU 9 HD21 LEU 9 1.785 -7.227 -0.367 62 HD22 LEU 9 HD22 LEU 9 3.410 -7.210 -0.211 63 HD23 LEU 9 HD23 LEU 9 2.476 -7.698 1.036 64 H MET 10 H MET 10 -0.927 -4.491 2.811 65 HA MET 10 HA MET 10 -2.934 -6.495 3.388 66 HB2 MET 10 HB2 MET 10 -2.765 -5.877 5.650 67 HB3 MET 10 HB3 MET 10 -1.259 -6.176 5.094 68 HG2 MET 10 HG2 MET 10 -1.142 -3.725 4.728 69 HG3 MET 10 HG3 MET 10 -2.413 -3.656 5.751 70 HE1 MET 10 HE1 MET 10 1.296 -4.096 5.402 71 HE2 MET 10 HE2 MET 10 0.808 -2.606 5.860 72 HE3 MET 10 HE3 MET 10 1.741 -3.502 6.857 Start of MODEL 18 1 H1 GLY 1 H GLY 1 0.226 12.106 4.405 2 H2 GLY 1 H2 GLY 1 -0.798 12.899 3.409 3 H3 GLY 1 H3 GLY 1 -1.388 11.920 4.576 4 HA2 GLY 1 HA2 GLY 1 -1.488 10.892 2.510 5 HA3 GLY 1 HA3 GLY 1 0.125 11.078 2.338 6 H ASN 2 H ASN 2 -1.637 8.685 2.411 7 HA ASN 2 HA ASN 2 -0.602 7.362 4.734 8 HB2 ASN 2 HB2 ASN 2 -2.740 6.797 2.913 9 HB3 ASN 2 HB3 ASN 2 -2.052 5.504 3.635 10 HD21 ASN 2 HD21 ASN 2 -2.124 5.250 5.950 11 HD22 ASN 2 HD22 ASN 2 -3.383 6.044 6.835 12 H HIS 3 H HIS 3 -0.152 4.862 4.307 13 HA HIS 3 HA HIS 3 2.174 4.898 2.664 14 HB2 HIS 3 HB2 HIS 3 1.518 3.544 4.867 15 HB3 HIS 3 HB3 HIS 3 1.514 2.398 3.704 16 HD2 HIS 3 HD2 HIS 3 3.970 1.509 2.922 17 HE1 HIS 3 HE1 HIS 3 6.175 4.172 5.105 18 HE2 HIS 3 HE2 HIS 3 6.360 2.164 3.674 19 H TRP 4 H TRP 4 2.482 2.439 1.639 20 HA TRP 4 HA TRP 4 0.372 2.342 -0.336 21 HB2 TRP 4 HB2 TRP 4 2.057 1.310 -1.777 22 HB3 TRP 4 HB3 TRP 4 2.404 2.858 -1.387 23 HD1 TRP 4 HD1 TRP 4 4.459 3.252 0.326 24 HE1 TRP 4 HE1 TRP 4 6.476 1.862 0.958 25 HE3 TRP 4 HE3 TRP 4 2.866 -1.117 -1.509 26 HZ2 TRP 4 HZ2 TRP 4 7.177 -0.824 0.641 27 HZ3 TRP 4 HZ3 TRP 4 4.261 -3.033 -1.304 28 HH2 TRP 4 HH2 TRP 4 6.388 -2.893 -0.244 29 H ALA 5 H ALA 5 2.519 0.321 1.497 30 HA ALA 5 HA ALA 5 1.541 -2.126 0.794 31 HB1 ALA 5 HB1 ALA 5 2.523 -1.369 3.390 32 HB2 ALA 5 HB2 ALA 5 2.392 -2.912 2.873 33 HB3 ALA 5 HB3 ALA 5 3.451 -1.897 2.154 34 H VAL 6 H VAL 6 0.106 0.219 2.814 35 HA VAL 6 HA VAL 6 -1.691 -1.273 4.211 36 HB VAL 6 HB VAL 6 -3.075 0.660 4.308 37 HG11 VAL 6 HG11 VAL 6 -1.220 0.667 5.740 38 HG12 VAL 6 HG12 VAL 6 -0.295 1.336 4.573 39 HG13 VAL 6 HG13 VAL 6 -1.526 2.186 5.226 40 HG21 VAL 6 HG21 VAL 6 -2.916 1.355 2.039 41 HG22 VAL 6 HG22 VAL 6 -2.529 2.598 3.025 42 HG23 VAL 6 HG23 VAL 6 -1.351 1.762 2.265 43 H GLY 7 H GLY 7 -1.758 -0.501 0.884 44 HA2 GLY 7 HA2 GLY 7 -4.253 -1.968 0.640 45 HA3 GLY 7 HA3 GLY 7 -3.882 -0.703 -0.323 46 H HIS 8 H HIS 8 -1.104 -1.458 -0.632 47 HA HIS 8 HA HIS 8 -1.437 -3.244 -2.803 48 HB2 HIS 8 HB2 HIS 8 0.497 -1.470 -2.007 49 HB3 HIS 8 HB3 HIS 8 1.210 -2.910 -2.300 50 HD2 HIS 8 HD2 HIS 8 -1.520 -1.367 -4.493 51 HE1 HIS 8 HE1 HIS 8 1.829 -1.864 -6.785 52 HE2 HIS 8 HE2 HIS 8 -0.538 -1.160 -6.883 53 H LEU 9 H LEU 9 -0.717 -3.594 0.455 54 HA LEU 9 HA LEU 9 0.029 -6.366 0.024 55 HB2 LEU 9 HB2 LEU 9 1.120 -4.469 1.845 56 HB3 LEU 9 HB3 LEU 9 1.100 -6.039 2.293 57 HG LEU 9 HG LEU 9 2.502 -5.034 -0.009 58 HD11 LEU 9 HD11 LEU 9 3.581 -4.380 2.007 59 HD12 LEU 9 HD12 LEU 9 3.592 -5.935 2.507 60 HD13 LEU 9 HD13 LEU 9 4.488 -5.485 1.217 61 HD21 LEU 9 HD21 LEU 9 1.788 -7.226 -0.367 62 HD22 LEU 9 HD22 LEU 9 3.413 -7.209 -0.208 63 HD23 LEU 9 HD23 LEU 9 2.476 -7.698 1.037 64 H MET 10 H MET 10 -0.926 -4.494 2.811 65 HA MET 10 HA MET 10 -2.841 -6.545 3.474 66 HB2 MET 10 HB2 MET 10 -2.761 -5.772 5.660 67 HB3 MET 10 HB3 MET 10 -1.211 -5.805 5.148 68 HG2 MET 10 HG2 MET 10 -1.470 -3.429 4.649 69 HG3 MET 10 HG3 MET 10 -2.861 -3.496 5.501 70 HE1 MET 10 HE1 MET 10 0.920 -3.574 5.662 71 HE2 MET 10 HE2 MET 10 0.277 -2.081 5.810 72 HE3 MET 10 HE3 MET 10 1.119 -2.734 7.047 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -2.921 10.608 2.482 2 H2 GLY 1 H2 GLY 1 -2.170 11.719 1.550 3 H3 GLY 1 H3 GLY 1 -1.831 10.132 1.362 4 HA2 GLY 1 HA2 GLY 1 -0.155 11.199 2.541 5 HA3 GLY 1 HA3 GLY 1 -1.244 11.675 3.660 6 H ASN 2 H ASN 2 -1.430 8.592 2.191 7 HA ASN 2 HA ASN 2 -0.592 7.396 4.684 8 HB2 ASN 2 HB2 ASN 2 -2.766 6.743 2.931 9 HB3 ASN 2 HB3 ASN 2 -2.047 5.487 3.688 10 HD21 ASN 2 HD21 ASN 2 -3.046 8.723 4.616 11 HD22 ASN 2 HD22 ASN 2 -3.921 8.240 6.030 12 H HIS 3 H HIS 3 -0.117 4.893 4.329 13 HA HIS 3 HA HIS 3 2.184 4.898 2.663 14 HB2 HIS 3 HB2 HIS 3 1.505 3.543 4.863 15 HB3 HIS 3 HB3 HIS 3 1.520 2.401 3.695 16 HD2 HIS 3 HD2 HIS 3 3.995 1.561 2.895 17 HE1 HIS 3 HE1 HIS 3 6.151 4.168 5.194 18 HE2 HIS 3 HE2 HIS 3 6.371 2.206 3.702 19 H TRP 4 H TRP 4 2.476 2.434 1.646 20 HA TRP 4 HA TRP 4 0.364 2.340 -0.330 21 HB2 TRP 4 HB2 TRP 4 2.050 1.310 -1.775 22 HB3 TRP 4 HB3 TRP 4 2.391 2.859 -1.388 23 HD1 TRP 4 HD1 TRP 4 4.458 3.270 0.299 24 HE1 TRP 4 HE1 TRP 4 6.479 1.888 0.937 25 HE3 TRP 4 HE3 TRP 4 2.856 -1.120 -1.476 26 HZ2 TRP 4 HZ2 TRP 4 7.178 -0.801 0.647 27 HZ3 TRP 4 HZ3 TRP 4 4.254 -3.033 -1.257 28 HH2 TRP 4 HH2 TRP 4 6.386 -2.879 -0.210 29 H ALA 5 H ALA 5 2.516 0.325 1.500 30 HA ALA 5 HA ALA 5 1.543 -2.127 0.798 31 HB1 ALA 5 HB1 ALA 5 2.520 -1.367 3.394 32 HB2 ALA 5 HB2 ALA 5 2.392 -2.911 2.876 33 HB3 ALA 5 HB3 ALA 5 3.450 -1.894 2.159 34 H VAL 6 H VAL 6 0.104 0.215 2.819 35 HA VAL 6 HA VAL 6 -1.695 -1.279 4.213 36 HB VAL 6 HB VAL 6 -3.078 0.653 4.312 37 HG11 VAL 6 HG11 VAL 6 -0.298 1.332 4.572 38 HG12 VAL 6 HG12 VAL 6 -1.530 2.181 5.228 39 HG13 VAL 6 HG13 VAL 6 -1.221 0.661 5.741 40 HG21 VAL 6 HG21 VAL 6 -2.928 1.348 2.046 41 HG22 VAL 6 HG22 VAL 6 -2.540 2.592 3.031 42 HG23 VAL 6 HG23 VAL 6 -1.362 1.758 2.267 43 H GLY 7 H GLY 7 -1.759 -0.504 0.885 44 HA2 GLY 7 HA2 GLY 7 -4.254 -1.970 0.638 45 HA3 GLY 7 HA3 GLY 7 -3.878 -0.706 -0.325 46 H HIS 8 H HIS 8 -1.107 -1.452 -0.645 47 HA HIS 8 HA HIS 8 -1.440 -3.247 -2.807 48 HB2 HIS 8 HB2 HIS 8 0.498 -1.472 -2.013 49 HB3 HIS 8 HB3 HIS 8 1.207 -2.912 -2.315 50 HD2 HIS 8 HD2 HIS 8 -1.589 -1.632 -4.548 51 HE1 HIS 8 HE1 HIS 8 1.853 -1.651 -6.758 52 HE2 HIS 8 HE2 HIS 8 -0.590 -1.276 -6.910 53 H LEU 9 H LEU 9 -0.722 -3.590 0.451 54 HA LEU 9 HA LEU 9 0.028 -6.362 0.024 55 HB2 LEU 9 HB2 LEU 9 1.130 -4.461 1.836 56 HB3 LEU 9 HB3 LEU 9 1.114 -6.031 2.286 57 HG LEU 9 HG LEU 9 2.500 -5.027 -0.026 58 HD11 LEU 9 HD11 LEU 9 3.590 -4.369 1.983 59 HD12 LEU 9 HD12 LEU 9 3.606 -5.924 2.484 60 HD13 LEU 9 HD13 LEU 9 4.492 -5.475 1.188 61 HD21 LEU 9 HD21 LEU 9 1.786 -7.217 -0.379 62 HD22 LEU 9 HD22 LEU 9 3.412 -7.200 -0.231 63 HD23 LEU 9 HD23 LEU 9 2.483 -7.689 1.020 64 H MET 10 H MET 10 -0.848 -4.535 2.860 65 HA MET 10 HA MET 10 -2.892 -6.505 3.419 66 HB2 MET 10 HB2 MET 10 -2.652 -6.008 5.678 67 HB3 MET 10 HB3 MET 10 -1.139 -6.179 5.088 68 HG2 MET 10 HG2 MET 10 -1.166 -3.719 4.850 69 HG3 MET 10 HG3 MET 10 -2.449 -3.766 5.859 70 HE1 MET 10 HE1 MET 10 1.252 -4.705 5.532 71 HE2 MET 10 HE2 MET 10 1.058 -3.098 5.750 72 HE3 MET 10 HE3 MET 10 1.820 -3.990 6.886 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -0.868 10.219 1.234 2 H2 GLY 1 H2 GLY 1 -0.500 11.809 1.294 3 H3 GLY 1 H3 GLY 1 0.629 10.694 1.681 4 HA2 GLY 1 HA2 GLY 1 -0.250 11.672 3.580 5 HA3 GLY 1 HA3 GLY 1 -1.746 11.197 3.133 6 H ASN 2 H ASN 2 -1.490 8.661 2.324 7 HA ASN 2 HA ASN 2 -0.595 7.362 4.739 8 HB2 ASN 2 HB2 ASN 2 -2.737 6.801 2.919 9 HB3 ASN 2 HB3 ASN 2 -2.049 5.506 3.637 10 HD21 ASN 2 HD21 ASN 2 -3.531 8.592 4.348 11 HD22 ASN 2 HD22 ASN 2 -4.250 8.110 5.849 12 H HIS 3 H HIS 3 -0.150 4.864 4.306 13 HA HIS 3 HA HIS 3 2.178 4.897 2.662 14 HB2 HIS 3 HB2 HIS 3 1.531 3.550 4.866 15 HB3 HIS 3 HB3 HIS 3 1.511 2.400 3.707 16 HD2 HIS 3 HD2 HIS 3 3.958 1.522 2.870 17 HE1 HIS 3 HE1 HIS 3 6.191 4.127 5.096 18 HE2 HIS 3 HE2 HIS 3 6.357 2.149 3.619 19 H TRP 4 H TRP 4 2.483 2.440 1.638 20 HA TRP 4 HA TRP 4 0.368 2.341 -0.334 21 HB2 TRP 4 HB2 TRP 4 2.054 1.313 -1.779 22 HB3 TRP 4 HB3 TRP 4 2.401 2.859 -1.385 23 HD1 TRP 4 HD1 TRP 4 4.459 3.252 0.319 24 HE1 TRP 4 HE1 TRP 4 6.477 1.857 0.949 25 HE3 TRP 4 HE3 TRP 4 2.857 -1.119 -1.508 26 HZ2 TRP 4 HZ2 TRP 4 7.173 -0.827 0.631 27 HZ3 TRP 4 HZ3 TRP 4 4.252 -3.036 -1.304 28 HH2 TRP 4 HH2 TRP 4 6.381 -2.895 -0.247 29 H ALA 5 H ALA 5 2.519 0.323 1.496 30 HA ALA 5 HA ALA 5 1.543 -2.127 0.797 31 HB1 ALA 5 HB1 ALA 5 2.523 -1.365 3.391 32 HB2 ALA 5 HB2 ALA 5 2.393 -2.909 2.876 33 HB3 ALA 5 HB3 ALA 5 3.451 -1.894 2.156 34 H VAL 6 H VAL 6 0.105 0.218 2.818 35 HA VAL 6 HA VAL 6 -1.693 -1.274 4.212 36 HB VAL 6 HB VAL 6 -3.077 0.660 4.307 37 HG11 VAL 6 HG11 VAL 6 -0.296 1.335 4.575 38 HG12 VAL 6 HG12 VAL 6 -1.528 2.185 5.226 39 HG13 VAL 6 HG13 VAL 6 -1.223 0.666 5.741 40 HG21 VAL 6 HG21 VAL 6 -2.917 1.354 2.040 41 HG22 VAL 6 HG22 VAL 6 -2.530 2.597 3.026 42 HG23 VAL 6 HG23 VAL 6 -1.352 1.761 2.266 43 H GLY 7 H GLY 7 -1.758 -0.502 0.883 44 HA2 GLY 7 HA2 GLY 7 -4.253 -1.968 0.639 45 HA3 GLY 7 HA3 GLY 7 -3.879 -0.704 -0.325 46 H HIS 8 H HIS 8 -1.105 -1.457 -0.636 47 HA HIS 8 HA HIS 8 -1.437 -3.245 -2.804 48 HB2 HIS 8 HB2 HIS 8 0.497 -1.470 -2.010 49 HB3 HIS 8 HB3 HIS 8 1.209 -2.909 -2.304 50 HD2 HIS 8 HD2 HIS 8 -1.527 -1.381 -4.498 51 HE1 HIS 8 HE1 HIS 8 1.829 -1.854 -6.788 52 HE2 HIS 8 HE2 HIS 8 -0.546 -1.168 -6.885 53 H LEU 9 H LEU 9 -0.714 -3.592 0.455 54 HA LEU 9 HA LEU 9 0.032 -6.363 0.024 55 HB2 LEU 9 HB2 LEU 9 1.125 -4.464 1.843 56 HB3 LEU 9 HB3 LEU 9 1.106 -6.033 2.293 57 HG LEU 9 HG LEU 9 2.503 -5.032 -0.013 58 HD11 LEU 9 HD11 LEU 9 3.586 -4.373 2.001 59 HD12 LEU 9 HD12 LEU 9 3.598 -5.927 2.503 60 HD13 LEU 9 HD13 LEU 9 4.491 -5.480 1.211 61 HD21 LEU 9 HD21 LEU 9 1.790 -7.224 -0.366 62 HD22 LEU 9 HD22 LEU 9 3.415 -7.207 -0.211 63 HD23 LEU 9 HD23 LEU 9 2.481 -7.693 1.037 64 H MET 10 H MET 10 -0.897 -4.507 2.830 65 HA MET 10 HA MET 10 -2.831 -6.547 3.477 66 HB2 MET 10 HB2 MET 10 -2.782 -5.697 5.677 67 HB3 MET 10 HB3 MET 10 -1.244 -5.946 5.186 68 HG2 MET 10 HG2 MET 10 -1.155 -3.582 4.643 69 HG3 MET 10 HG3 MET 10 -2.580 -3.426 5.424 70 HE1 MET 10 HE1 MET 10 1.085 -3.347 5.738 71 HE2 MET 10 HE2 MET 10 0.277 -1.961 6.040 72 HE3 MET 10 HE3 MET 10 1.176 -2.654 7.214
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