NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
509786 | 2lam | 17531 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 3.337 6.888 1.077 2 HA2 GLY 1 2HA GLY 1 1.715 8.450 0.377 3 HA3 GLY 1 1HA GLY 1 2.991 9.636 0.150 4 H LEU 2 H LEU 2 4.514 7.395 -1.346 5 HA LEU 2 HA LEU 2 3.360 8.070 -3.927 6 HB2 LEU 2 2HB LEU 2 5.947 6.784 -3.111 7 HB3 LEU 2 1HB LEU 2 5.422 6.835 -4.782 8 HG LEU 2 HG LEU 2 6.887 8.636 -4.566 9 HD11 LEU 2 1HD1 LEU 2 4.685 9.163 -5.627 10 HD12 LEU 2 2HD1 LEU 2 5.588 10.554 -5.029 11 HD13 LEU 2 3HD1 LEU 2 4.220 9.930 -4.109 12 HD21 LEU 2 3HD2 LEU 2 5.463 9.545 -2.077 13 HD22 LEU 2 1HD2 LEU 2 6.932 10.224 -2.779 14 HD23 LEU 2 2HD2 LEU 2 6.956 8.604 -2.081 15 HA PRO 3 HA PRO 3 1.411 4.028 -3.944 16 HB2 PRO 3 2HB PRO 3 -0.215 4.458 -6.037 17 HB3 PRO 3 1HB PRO 3 -0.523 5.189 -4.456 18 HG2 PRO 3 2HG PRO 3 0.689 6.405 -6.904 19 HG3 PRO 3 1HG PRO 3 -0.466 7.107 -5.758 20 HD2 PRO 3 2HD PRO 3 2.244 7.599 -5.733 21 HD3 PRO 3 1HD PRO 3 1.184 7.762 -4.320 22 H THR 4 H THR 4 4.014 4.350 -5.073 23 HA THR 4 HA THR 4 3.935 3.285 -7.762 24 HB THR 4 HB THR 4 6.410 3.333 -7.569 25 HG1 THR 4 1HG THR 4 6.794 3.005 -5.412 26 HG21 THR 4 3HG2 THR 4 5.498 5.319 -8.421 27 HG22 THR 4 1HG2 THR 4 6.535 5.865 -7.102 28 HG23 THR 4 2HG2 THR 4 4.788 5.762 -6.867 29 H CYS 5 H CYS 5 2.895 1.764 -5.387 30 HA CYS 5 HA CYS 5 4.698 -0.506 -5.218 31 HB2 CYS 5 2HB CYS 5 1.988 -0.036 -3.960 32 HB3 CYS 5 1HB CYS 5 3.052 -1.395 -3.615 33 H GLY 6 H GLY 6 1.641 0.391 -6.667 34 HA2 GLY 6 2HA GLY 6 0.435 -0.609 -8.358 35 HA3 GLY 6 1HA GLY 6 1.780 -1.727 -8.574 36 H GLU 7 H GLU 7 -0.059 -1.135 -5.647 37 HA GLU 7 HA GLU 7 -1.338 -3.756 -5.855 38 HB2 GLU 7 2HB GLU 7 0.846 -3.870 -4.531 39 HB3 GLU 7 1HB GLU 7 0.056 -2.845 -3.345 40 HG2 GLU 7 2HG GLU 7 -1.742 -4.580 -3.175 41 HG3 GLU 7 1HG GLU 7 -0.721 -5.626 -4.159 42 H THR 8 H THR 8 -3.214 -3.946 -4.629 43 HA THR 8 HA THR 8 -4.222 -1.450 -3.444 44 HB THR 8 HB THR 8 -6.519 -2.290 -4.156 45 HG1 THR 8 1HG THR 8 -5.615 -4.450 -4.693 46 HG21 THR 8 3HG2 THR 8 -5.901 -1.718 -6.698 47 HG22 THR 8 1HG2 THR 8 -4.414 -1.174 -5.919 48 HG23 THR 8 2HG2 THR 8 -5.966 -0.490 -5.434 49 H CYS 9 H CYS 9 -4.355 -1.744 -1.313 50 HA CYS 9 HA CYS 9 -4.733 -4.409 -0.243 51 HB2 CYS 9 2HB CYS 9 -4.396 -3.291 1.966 52 HB3 CYS 9 1HB CYS 9 -3.053 -3.120 0.855 53 H THR 10 H THR 10 -6.962 -4.155 -1.409 54 HA THR 10 HA THR 10 -9.014 -2.637 -0.272 55 HB THR 10 HB THR 10 -10.465 -4.618 -1.145 56 HG1 THR 10 1HG THR 10 -9.285 -5.912 -2.660 57 HG21 THR 10 3HG2 THR 10 -8.706 -3.165 -3.117 58 HG22 THR 10 1HG2 THR 10 -10.060 -2.415 -2.275 59 HG23 THR 10 2HG2 THR 10 -10.345 -3.762 -3.378 60 H LEU 11 H LEU 11 -7.608 -5.704 0.629 61 HA LEU 11 HA LEU 11 -9.547 -6.252 2.695 62 HB2 LEU 11 2HB LEU 11 -6.911 -7.585 2.064 63 HB3 LEU 11 1HB LEU 11 -8.096 -8.176 3.214 64 HG LEU 11 HG LEU 11 -8.530 -7.914 0.236 65 HD11 LEU 11 1HD1 LEU 11 -7.180 -9.749 0.343 66 HD12 LEU 11 2HD1 LEU 11 -8.740 -10.511 0.655 67 HD13 LEU 11 3HD1 LEU 11 -7.656 -10.141 1.995 68 HD21 LEU 11 3HD2 LEU 11 -10.290 -9.135 2.359 69 HD22 LEU 11 1HD2 LEU 11 -10.616 -9.087 0.627 70 HD23 LEU 11 2HD2 LEU 11 -10.579 -7.590 1.559 71 H GLY 12 H GLY 12 -6.577 -4.535 2.408 72 HA2 GLY 12 2HA GLY 12 -5.892 -2.993 4.096 73 HA3 GLY 12 1HA GLY 12 -6.617 -4.044 5.304 74 H THR 13 H THR 13 -4.428 -4.924 2.682 75 HA THR 13 HA THR 13 -2.164 -5.221 4.440 76 HB THR 13 HB THR 13 -3.551 -7.641 3.270 77 HG1 THR 13 1HG THR 13 -3.728 -6.521 5.624 78 HG21 THR 13 3HG2 THR 13 -0.751 -7.314 4.304 79 HG22 THR 13 1HG2 THR 13 -1.301 -8.100 2.822 80 HG23 THR 13 2HG2 THR 13 -1.582 -8.868 4.386 81 H CYS 14 H CYS 14 -0.310 -4.977 3.297 82 HA CYS 14 HA CYS 14 -0.476 -5.236 0.368 83 HB2 CYS 14 2HB CYS 14 1.304 -3.352 1.934 84 HB3 CYS 14 1HB CYS 14 1.152 -3.440 0.181 85 H TYR 15 H TYR 15 0.725 -6.844 -0.389 86 HA TYR 15 HA TYR 15 2.674 -8.094 1.338 87 HB2 TYR 15 2HB TYR 15 2.901 -9.782 -0.442 88 HB3 TYR 15 1HB TYR 15 1.230 -9.542 0.045 89 HD1 TYR 15 1HD TYR 15 3.660 -8.376 -2.548 90 HD2 TYR 15 2HD TYR 15 -0.375 -9.322 -1.589 91 HE1 TYR 15 1HE TYR 15 3.038 -8.039 -4.896 92 HE2 TYR 15 2HE TYR 15 -1.015 -8.987 -3.944 93 HH TYR 15 HH TYR 15 0.406 -7.378 -6.026 94 H VAL 16 H VAL 16 2.721 -5.751 -1.170 95 HA VAL 16 HA VAL 16 5.318 -6.198 -2.174 96 HB VAL 16 HB VAL 16 3.841 -3.561 -1.975 97 HG11 VAL 16 1HG1 VAL 16 6.023 -2.930 -2.430 98 HG12 VAL 16 2HG1 VAL 16 5.351 -3.125 -4.049 99 HG13 VAL 16 3HG1 VAL 16 6.363 -4.392 -3.355 100 HG21 VAL 16 3HG2 VAL 16 3.998 -5.573 -4.220 101 HG22 VAL 16 1HG2 VAL 16 3.225 -3.989 -4.315 102 HG23 VAL 16 2HG2 VAL 16 2.580 -5.221 -3.231 103 HA PRO 17 HA PRO 17 7.836 -5.493 1.343 104 HB2 PRO 17 2HB PRO 17 10.011 -4.529 -0.178 105 HB3 PRO 17 1HB PRO 17 9.739 -6.182 0.375 106 HG2 PRO 17 2HG PRO 17 9.230 -4.967 -2.273 107 HG3 PRO 17 1HG PRO 17 9.611 -6.646 -1.857 108 HD2 PRO 17 2HD PRO 17 7.137 -5.848 -2.598 109 HD3 PRO 17 1HD PRO 17 7.398 -7.172 -1.447 110 H ASP 18 H ASP 18 7.782 -3.929 2.693 111 HA ASP 18 HA ASP 18 7.830 -1.928 3.720 112 HB2 ASP 18 2HB ASP 18 10.050 -1.828 2.461 113 HB3 ASP 18 1HB ASP 18 9.224 -0.775 1.313 114 H CYS 19 H CYS 19 5.784 -2.504 1.357 115 HA CYS 19 HA CYS 19 4.978 0.248 0.892 116 HB2 CYS 19 2HB CYS 19 4.105 -2.380 -0.234 117 HB3 CYS 19 1HB CYS 19 3.059 -0.968 -0.385 118 H SER 20 H SER 20 3.538 1.299 1.981 119 HA SER 20 HA SER 20 2.160 -0.036 4.166 120 HB2 SER 20 2HB SER 20 2.224 2.910 3.461 121 HB3 SER 20 1HB SER 20 1.773 2.192 5.011 122 HG SER 20 HG SER 20 4.140 1.260 4.546 123 H CYS 21 H CYS 21 -0.053 -0.101 4.422 124 HA CYS 21 HA CYS 21 -1.578 -0.045 2.005 125 HB2 CYS 21 2HB CYS 21 -2.035 -1.760 3.665 126 HB3 CYS 21 1HB CYS 21 -2.427 -0.533 4.865 127 H SER 22 H SER 22 -2.205 1.797 1.155 128 HA SER 22 HA SER 22 -3.226 3.914 2.933 129 HB2 SER 22 2HB SER 22 -2.082 4.086 0.130 130 HB3 SER 22 1HB SER 22 -2.680 5.454 1.058 131 HG SER 22 HG SER 22 -1.001 4.331 2.649 132 H TRP 23 H TRP 23 -4.776 1.886 2.595 133 HA TRP 23 HA TRP 23 -6.344 1.023 0.797 134 HB2 TRP 23 2HB TRP 23 -6.784 0.911 3.269 135 HB3 TRP 23 1HB TRP 23 -7.670 2.426 3.114 136 HD1 TRP 23 HD TRP 23 -7.976 -1.293 2.461 137 HE1 TRP 23 1HE TRP 23 -10.362 -1.825 1.650 138 HE3 TRP 23 3HE TRP 23 -9.669 3.477 1.777 139 HZ2 TRP 23 2HZ TRP 23 -12.657 -0.389 0.803 140 HZ3 TRP 23 3HZ TRP 23 -11.955 3.816 0.953 141 HH2 TRP 23 HH TRP 23 -13.408 1.930 0.470 142 HA PRO 24 HA PRO 24 -7.783 0.386 -0.262 143 HB2 PRO 24 2HB PRO 24 -8.527 0.204 -2.806 144 HB3 PRO 24 1HB PRO 24 -9.679 0.667 -1.546 145 HG2 PRO 24 2HG PRO 24 -8.212 2.400 -3.499 146 HG3 PRO 24 1HG PRO 24 -9.912 2.472 -3.001 147 HD2 PRO 24 2HD PRO 24 -7.941 4.092 -1.978 148 HD3 PRO 24 1HD PRO 24 -9.440 3.670 -1.116 149 H ILE 25 H ILE 25 -5.668 2.636 -1.679 150 HA ILE 25 HA ILE 25 -4.276 0.523 -3.173 151 HB ILE 25 HB ILE 25 -3.826 3.502 -3.333 152 HG12 ILE 25 2HG1 ILE 25 -5.415 1.656 -5.127 153 HG13 ILE 25 1HG1 ILE 25 -6.062 2.951 -4.127 154 HG21 ILE 25 1HG2 ILE 25 -1.951 1.901 -3.969 155 HG22 ILE 25 2HG2 ILE 25 -2.428 3.103 -5.169 156 HG23 ILE 25 3HG2 ILE 25 -2.972 1.432 -5.329 157 HD11 ILE 25 3HD1 ILE 25 -5.327 4.591 -5.541 158 HD12 ILE 25 1HD1 ILE 25 -5.679 3.294 -6.683 159 HD13 ILE 25 2HD1 ILE 25 -4.016 3.599 -6.180 160 H CYS 26 H CYS 26 -2.035 0.173 -2.905 161 HA CYS 26 HA CYS 26 -1.078 0.878 -0.245 162 HB2 CYS 26 2HB CYS 26 0.180 -0.910 -2.340 163 HB3 CYS 26 1HB CYS 26 0.741 -0.695 -0.682 164 H MET 27 H MET 27 0.501 2.322 0.186 165 HA MET 27 HA MET 27 1.980 3.471 -2.087 166 HB2 MET 27 2HB MET 27 0.804 5.100 0.172 167 HB3 MET 27 1HB MET 27 1.679 5.711 -1.223 168 HG2 MET 27 2HG MET 27 -0.143 4.908 -2.672 169 HG3 MET 27 1HG MET 27 -1.017 4.388 -1.243 170 HE1 MET 27 3HE MET 27 -3.378 6.546 -1.676 171 HE2 MET 27 1HE MET 27 -2.525 5.630 -2.919 172 HE3 MET 27 2HE MET 27 -2.667 7.382 -3.057 173 H LYS 28 H LYS 28 4.025 4.184 -1.663 174 HA LYS 28 HA LYS 28 5.131 3.447 0.964 175 HB2 LYS 28 2HB LYS 28 6.211 2.118 -0.666 176 HB3 LYS 28 1HB LYS 28 6.301 3.442 -1.812 177 HG2 LYS 28 2HG LYS 28 8.488 3.218 -1.114 178 HG3 LYS 28 1HG LYS 28 7.896 4.523 -0.091 179 HD2 LYS 28 2HD LYS 28 7.873 1.655 0.812 180 HD3 LYS 28 1HD LYS 28 9.292 2.684 1.010 181 HE2 LYS 28 2HE LYS 28 7.840 4.300 2.250 182 HE3 LYS 28 1HE LYS 28 6.545 3.105 2.177 183 HZ1 LYS 28 3HZ LYS 28 7.572 1.762 3.677 184 HZ2 LYS 28 1HZ LYS 28 8.186 3.246 4.214 185 HZ3 LYS 28 2HZ LYS 28 9.134 2.236 3.237 186 H ASN 29 H ASN 29 5.092 5.237 2.139 187 HA ASN 29 HA ASN 29 5.488 7.339 2.889 188 HB2 ASN 29 2HB ASN 29 7.446 7.568 0.590 189 HB3 ASN 29 1HB ASN 29 7.383 8.598 2.015 190 HD21 ASN 29 1HD2 ASN 29 9.307 6.543 0.737 191 HD22 ASN 29 2HD2 ASN 29 9.852 5.636 2.104 Start of MODEL 2 1 H1 GLY 1 H GLY 1 3.516 6.823 1.150 2 HA2 GLY 1 2HA GLY 1 1.909 8.424 0.496 3 HA3 GLY 1 1HA GLY 1 3.202 9.589 0.258 4 H LEU 2 H LEU 2 4.665 7.334 -1.277 5 HA LEU 2 HA LEU 2 3.488 8.052 -3.837 6 HB2 LEU 2 2HB LEU 2 6.057 6.700 -3.070 7 HB3 LEU 2 1HB LEU 2 5.512 6.788 -4.733 8 HG LEU 2 HG LEU 2 7.019 8.552 -4.511 9 HD11 LEU 2 1HD1 LEU 2 5.797 10.347 -5.186 10 HD12 LEU 2 2HD1 LEU 2 4.582 10.133 -3.926 11 HD13 LEU 2 3HD1 LEU 2 4.585 9.073 -5.335 12 HD21 LEU 2 3HD2 LEU 2 6.412 10.289 -2.558 13 HD22 LEU 2 1HD2 LEU 2 7.574 8.976 -2.368 14 HD23 LEU 2 2HD2 LEU 2 5.920 8.780 -1.789 15 HA PRO 3 HA PRO 3 1.458 4.052 -3.861 16 HB2 PRO 3 2HB PRO 3 -0.182 4.528 -5.932 17 HB3 PRO 3 1HB PRO 3 -0.455 5.258 -4.346 18 HG2 PRO 3 2HG PRO 3 0.755 6.457 -6.802 19 HG3 PRO 3 1HG PRO 3 -0.371 7.180 -5.640 20 HD2 PRO 3 2HD PRO 3 2.350 7.610 -5.645 21 HD3 PRO 3 1HD PRO 3 1.309 7.793 -4.219 22 H THR 4 H THR 4 4.056 4.328 -5.025 23 HA THR 4 HA THR 4 3.926 3.285 -7.717 24 HB THR 4 HB THR 4 6.404 3.252 -7.536 25 HG1 THR 4 1HG THR 4 6.791 2.898 -5.387 26 HG21 THR 4 3HG2 THR 4 4.844 5.716 -6.826 27 HG22 THR 4 1HG2 THR 4 5.569 5.272 -8.373 28 HG23 THR 4 2HG2 THR 4 6.596 5.782 -7.032 29 H CYS 5 H CYS 5 2.872 1.773 -5.329 30 HA CYS 5 HA CYS 5 4.600 -0.559 -5.226 31 HB2 CYS 5 2HB CYS 5 1.925 -0.042 -3.911 32 HB3 CYS 5 1HB CYS 5 2.986 -1.406 -3.584 33 H GLY 6 H GLY 6 1.532 0.458 -6.575 34 HA2 GLY 6 2HA GLY 6 0.240 -0.468 -8.241 35 HA3 GLY 6 1HA GLY 6 1.560 -1.592 -8.549 36 H GLU 7 H GLU 7 -0.166 -1.104 -5.533 37 HA GLU 7 HA GLU 7 -1.420 -3.736 -5.808 38 HB2 GLU 7 2HB GLU 7 0.735 -3.817 -4.459 39 HB3 GLU 7 1HB GLU 7 -0.079 -2.804 -3.276 40 HG2 GLU 7 2HG GLU 7 -1.840 -4.554 -3.089 41 HG3 GLU 7 1HG GLU 7 -0.844 -5.584 -4.114 42 H THR 8 H THR 8 -3.292 -4.013 -4.576 43 HA THR 8 HA THR 8 -4.446 -1.543 -3.465 44 HB THR 8 HB THR 8 -5.991 -3.731 -4.874 45 HG1 THR 8 1HG THR 8 -4.433 -1.852 -5.935 46 HG21 THR 8 3HG2 THR 8 -7.710 -2.688 -3.876 47 HG22 THR 8 1HG2 THR 8 -7.415 -1.375 -5.015 48 HG23 THR 8 2HG2 THR 8 -6.711 -1.317 -3.399 49 H CYS 9 H CYS 9 -4.431 -1.828 -1.320 50 HA CYS 9 HA CYS 9 -4.801 -4.471 -0.188 51 HB2 CYS 9 2HB CYS 9 -4.377 -3.306 1.986 52 HB3 CYS 9 1HB CYS 9 -3.068 -3.188 0.827 53 H THR 10 H THR 10 -7.079 -4.220 -1.264 54 HA THR 10 HA THR 10 -9.062 -2.645 -0.084 55 HB THR 10 HB THR 10 -10.550 -4.695 -0.808 56 HG1 THR 10 1HG THR 10 -9.422 -5.919 -2.440 57 HG21 THR 10 3HG2 THR 10 -9.719 -2.382 -2.029 58 HG22 THR 10 1HG2 THR 10 -10.946 -3.483 -2.657 59 HG23 THR 10 2HG2 THR 10 -9.276 -3.617 -3.210 60 H LEU 11 H LEU 11 -7.668 -5.713 0.844 61 HA LEU 11 HA LEU 11 -9.524 -6.170 3.004 62 HB2 LEU 11 2HB LEU 11 -6.936 -7.556 2.301 63 HB3 LEU 11 1HB LEU 11 -8.070 -8.094 3.525 64 HG LEU 11 HG LEU 11 -8.644 -7.923 0.564 65 HD11 LEU 11 1HD1 LEU 11 -8.883 -10.515 1.161 66 HD12 LEU 11 2HD1 LEU 11 -7.642 -10.069 2.331 67 HD13 LEU 11 3HD1 LEU 11 -7.371 -9.793 0.611 68 HD21 LEU 11 3HD2 LEU 11 -10.799 -8.265 1.009 69 HD22 LEU 11 1HD2 LEU 11 -10.433 -7.834 2.679 70 HD23 LEU 11 2HD2 LEU 11 -10.431 -9.527 2.186 71 H GLY 12 H GLY 12 -6.563 -4.477 2.560 72 HA2 GLY 12 2HA GLY 12 -5.787 -2.914 4.180 73 HA3 GLY 12 1HA GLY 12 -6.488 -3.918 5.441 74 H THR 13 H THR 13 -4.402 -4.896 2.772 75 HA THR 13 HA THR 13 -2.099 -5.214 4.483 76 HB THR 13 HB THR 13 -3.548 -7.607 3.328 77 HG1 THR 13 1HG THR 13 -3.652 -6.490 5.693 78 HG21 THR 13 3HG2 THR 13 -1.582 -8.876 4.390 79 HG22 THR 13 1HG2 THR 13 -0.726 -7.335 4.324 80 HG23 THR 13 2HG2 THR 13 -1.306 -8.087 2.835 81 H CYS 14 H CYS 14 -0.272 -4.976 3.306 82 HA CYS 14 HA CYS 14 -0.492 -5.232 0.380 83 HB2 CYS 14 2HB CYS 14 1.328 -3.358 1.911 84 HB3 CYS 14 1HB CYS 14 1.140 -3.445 0.162 85 H TYR 15 H TYR 15 0.685 -6.841 -0.403 86 HA TYR 15 HA TYR 15 2.656 -8.112 1.283 87 HB2 TYR 15 2HB TYR 15 2.845 -9.785 -0.520 88 HB3 TYR 15 1HB TYR 15 1.186 -9.544 0.004 89 HD1 TYR 15 2HD TYR 15 3.567 -8.358 -2.623 90 HD2 TYR 15 1HD TYR 15 -0.450 -9.309 -1.596 91 HE1 TYR 15 2HE TYR 15 2.902 -7.999 -4.955 92 HE2 TYR 15 1HE TYR 15 -1.131 -8.966 -3.939 93 HH TYR 15 HH TYR 15 0.303 -7.329 -6.048 94 H VAL 16 H VAL 16 2.672 -5.748 -1.202 95 HA VAL 16 HA VAL 16 5.246 -6.197 -2.260 96 HB VAL 16 HB VAL 16 3.799 -3.548 -1.997 97 HG11 VAL 16 1HG1 VAL 16 5.638 -3.939 -4.236 98 HG12 VAL 16 2HG1 VAL 16 6.429 -3.938 -2.659 99 HG13 VAL 16 3HG1 VAL 16 5.446 -2.560 -3.154 100 HG21 VAL 16 3HG2 VAL 16 2.358 -4.654 -3.360 101 HG22 VAL 16 1HG2 VAL 16 3.579 -5.812 -3.894 102 HG23 VAL 16 2HG2 VAL 16 3.545 -4.187 -4.579 103 HA PRO 17 HA PRO 17 7.843 -5.572 1.211 104 HB2 PRO 17 2HB PRO 17 9.971 -4.546 -0.349 105 HB3 PRO 17 1HB PRO 17 9.738 -6.208 0.193 106 HG2 PRO 17 2HG PRO 17 9.153 -4.977 -2.429 107 HG3 PRO 17 1HG PRO 17 9.543 -6.659 -2.035 108 HD2 PRO 17 2HD PRO 17 7.053 -5.851 -2.713 109 HD3 PRO 17 1HD PRO 17 7.339 -7.189 -1.585 110 H ASP 18 H ASP 18 7.774 -4.047 2.604 111 HA ASP 18 HA ASP 18 7.812 -2.078 3.690 112 HB2 ASP 18 2HB ASP 18 10.047 -1.967 2.467 113 HB3 ASP 18 1HB ASP 18 9.252 -0.881 1.330 114 H CYS 19 H CYS 19 5.755 -2.572 1.348 115 HA CYS 19 HA CYS 19 5.002 0.200 0.901 116 HB2 CYS 19 2HB CYS 19 4.078 -2.403 -0.238 117 HB3 CYS 19 1HB CYS 19 3.045 -0.979 -0.362 118 H SER 20 H SER 20 3.579 1.272 2.003 119 HA SER 20 HA SER 20 2.185 -0.048 4.185 120 HB2 SER 20 2HB SER 20 2.272 2.898 3.490 121 HB3 SER 20 1HB SER 20 1.827 2.178 5.040 122 HG SER 20 HG SER 20 4.173 1.228 4.596 123 H CYS 21 H CYS 21 -0.038 -0.078 4.436 124 HA CYS 21 HA CYS 21 -1.541 0.022 1.996 125 HB2 CYS 21 2HB CYS 21 -2.005 -1.742 3.604 126 HB3 CYS 21 1HB CYS 21 -2.411 -0.550 4.835 127 H SER 22 H SER 22 -2.038 1.953 1.208 128 HA SER 22 HA SER 22 -3.091 4.005 3.038 129 HB2 SER 22 2HB SER 22 -1.984 4.200 0.221 130 HB3 SER 22 1HB SER 22 -2.647 5.559 1.117 131 HG SER 22 HG SER 22 -0.699 5.767 1.861 132 H TRP 23 H TRP 23 -4.646 1.983 2.716 133 HA TRP 23 HA TRP 23 -6.248 1.127 0.959 134 HB2 TRP 23 2HB TRP 23 -6.664 1.030 3.437 135 HB3 TRP 23 1HB TRP 23 -7.558 2.540 3.276 136 HD1 TRP 23 HD TRP 23 -7.848 -1.186 2.641 137 HE1 TRP 23 1HE TRP 23 -10.236 -1.734 1.850 138 HE3 TRP 23 3HE TRP 23 -9.570 3.572 1.937 139 HZ2 TRP 23 2HZ TRP 23 -12.543 -0.316 1.008 140 HZ3 TRP 23 3HZ TRP 23 -11.863 3.894 1.125 141 HH2 TRP 23 HH TRP 23 -13.309 1.996 0.662 142 HA PRO 24 HA PRO 24 -7.674 0.487 -0.085 143 HB2 PRO 24 2HB PRO 24 -8.367 0.288 -2.653 144 HB3 PRO 24 1HB PRO 24 -9.544 0.726 -1.408 145 HG2 PRO 24 2HG PRO 24 -8.084 2.493 -3.338 146 HG3 PRO 24 1HG PRO 24 -9.789 2.534 -2.853 147 HD2 PRO 24 2HD PRO 24 -7.857 4.186 -1.811 148 HD3 PRO 24 1HD PRO 24 -9.356 3.733 -0.962 149 H ILE 25 H ILE 25 -5.723 2.778 -1.848 150 HA ILE 25 HA ILE 25 -4.200 0.661 -3.149 151 HB ILE 25 HB ILE 25 -3.725 3.634 -3.272 152 HG12 ILE 25 2HG1 ILE 25 -5.326 1.826 -5.096 153 HG13 ILE 25 1HG1 ILE 25 -5.961 3.127 -4.093 154 HG21 ILE 25 1HG2 ILE 25 -2.265 3.248 -5.031 155 HG22 ILE 25 2HG2 ILE 25 -2.904 1.633 -5.337 156 HG23 ILE 25 3HG2 ILE 25 -1.897 1.928 -3.920 157 HD11 ILE 25 3HD1 ILE 25 -5.552 3.483 -6.642 158 HD12 ILE 25 1HD1 ILE 25 -3.885 3.746 -6.129 159 HD13 ILE 25 2HD1 ILE 25 -5.176 4.764 -5.488 160 H CYS 26 H CYS 26 -2.010 0.264 -2.837 161 HA CYS 26 HA CYS 26 -1.039 0.935 -0.175 162 HB2 CYS 26 2HB CYS 26 0.200 -0.838 -2.294 163 HB3 CYS 26 1HB CYS 26 0.764 -0.654 -0.634 164 H MET 27 H MET 27 0.581 2.347 0.264 165 HA MET 27 HA MET 27 2.050 3.503 -2.011 166 HB2 MET 27 2HB MET 27 0.918 5.114 0.282 167 HB3 MET 27 1HB MET 27 1.799 5.736 -1.104 168 HG2 MET 27 2HG MET 27 -0.035 5.020 -2.564 169 HG3 MET 27 1HG MET 27 -0.910 4.439 -1.159 170 HE1 MET 27 3HE MET 27 -3.156 6.136 -1.629 171 HE2 MET 27 1HE MET 27 -2.228 6.141 -3.129 172 HE3 MET 27 2HE MET 27 -2.795 7.661 -2.437 173 H LYS 28 H LYS 28 4.122 4.133 -1.613 174 HA LYS 28 HA LYS 28 5.234 3.368 1.003 175 HB2 LYS 28 2HB LYS 28 6.274 2.034 -0.653 176 HB3 LYS 28 1HB LYS 28 6.388 3.373 -1.780 177 HG2 LYS 28 2HG LYS 28 8.573 3.077 -1.088 178 HG3 LYS 28 1HG LYS 28 8.017 4.399 -0.067 179 HD2 LYS 28 2HD LYS 28 7.923 1.535 0.842 180 HD3 LYS 28 1HD LYS 28 9.364 2.528 1.039 181 HE2 LYS 28 2HE LYS 28 7.950 4.181 2.276 182 HE3 LYS 28 1HE LYS 28 6.629 3.018 2.205 183 HZ1 LYS 28 3HZ LYS 28 9.196 2.091 3.268 184 HZ2 LYS 28 1HZ LYS 28 7.621 1.654 3.708 185 HZ3 LYS 28 2HZ LYS 28 8.269 3.123 4.244 186 H ASN 29 H ASN 29 5.249 5.145 2.198 187 HA ASN 29 HA ASN 29 5.688 7.233 2.960 188 HB2 ASN 29 2HB ASN 29 7.623 7.445 0.640 189 HB3 ASN 29 1HB ASN 29 7.592 8.471 2.068 190 HD21 ASN 29 1HD2 ASN 29 9.469 6.387 0.765 191 HD22 ASN 29 2HD2 ASN 29 10.013 5.469 2.125 Start of MODEL 3 1 H1 GLY 1 H GLY 1 3.339 6.864 1.189 2 HA2 GLY 1 2HA GLY 1 1.780 8.466 0.434 3 HA3 GLY 1 1HA GLY 1 3.090 9.618 0.247 4 H LEU 2 H LEU 2 4.588 7.297 -1.190 5 HA LEU 2 HA LEU 2 3.558 8.022 -3.810 6 HB2 LEU 2 2HB LEU 2 6.049 6.601 -2.916 7 HB3 LEU 2 1HB LEU 2 5.584 6.705 -4.603 8 HG LEU 2 HG LEU 2 7.131 8.423 -4.312 9 HD11 LEU 2 1HD1 LEU 2 5.857 10.507 -4.555 10 HD12 LEU 2 2HD1 LEU 2 4.405 9.655 -4.027 11 HD13 LEU 2 3HD1 LEU 2 5.204 9.190 -5.528 12 HD21 LEU 2 3HD2 LEU 2 5.697 9.465 -1.891 13 HD22 LEU 2 1HD2 LEU 2 7.295 9.909 -2.493 14 HD23 LEU 2 2HD2 LEU 2 7.028 8.314 -1.788 15 HA PRO 3 HA PRO 3 1.430 4.071 -3.887 16 HB2 PRO 3 2HB PRO 3 -0.146 4.591 -5.996 17 HB3 PRO 3 1HB PRO 3 -0.441 5.324 -4.414 18 HG2 PRO 3 2HG PRO 3 0.856 6.499 -6.838 19 HG3 PRO 3 1HG PRO 3 -0.279 7.247 -5.701 20 HD2 PRO 3 2HD PRO 3 2.454 7.607 -5.639 21 HD3 PRO 3 1HD PRO 3 1.382 7.819 -4.242 22 H THR 4 H THR 4 4.063 4.291 -4.979 23 HA THR 4 HA THR 4 3.982 3.263 -7.680 24 HB THR 4 HB THR 4 6.453 3.170 -7.429 25 HG1 THR 4 1HG THR 4 6.780 2.803 -5.275 26 HG21 THR 4 3HG2 THR 4 4.935 5.670 -6.753 27 HG22 THR 4 1HG2 THR 4 5.690 5.211 -8.282 28 HG23 THR 4 2HG2 THR 4 6.694 5.691 -6.913 29 H CYS 5 H CYS 5 2.863 1.778 -5.276 30 HA CYS 5 HA CYS 5 4.526 -0.600 -5.181 31 HB2 CYS 5 2HB CYS 5 1.862 -0.032 -3.866 32 HB3 CYS 5 1HB CYS 5 2.915 -1.401 -3.526 33 H GLY 6 H GLY 6 1.460 0.484 -6.496 34 HA2 GLY 6 2HA GLY 6 0.119 -0.414 -8.136 35 HA3 GLY 6 1HA GLY 6 1.438 -1.517 -8.509 36 H GLU 7 H GLU 7 -0.203 -1.169 -5.421 37 HA GLU 7 HA GLU 7 -1.451 -3.797 -5.794 38 HB2 GLU 7 2HB GLU 7 0.753 -3.786 -4.415 39 HB3 GLU 7 1HB GLU 7 -0.217 -3.014 -3.169 40 HG2 GLU 7 2HG GLU 7 -1.809 -4.975 -3.405 41 HG3 GLU 7 1HG GLU 7 -0.533 -5.755 -4.338 42 H THR 8 H THR 8 -3.357 -4.110 -4.625 43 HA THR 8 HA THR 8 -4.513 -1.660 -3.468 44 HB THR 8 HB THR 8 -6.050 -3.906 -4.786 45 HG1 THR 8 1HG THR 8 -4.499 -2.137 -5.964 46 HG21 THR 8 3HG2 THR 8 -7.546 -1.644 -5.009 47 HG22 THR 8 1HG2 THR 8 -6.749 -1.374 -3.458 48 HG23 THR 8 2HG2 THR 8 -7.718 -2.827 -3.711 49 H CYS 9 H CYS 9 -4.479 -1.888 -1.316 50 HA CYS 9 HA CYS 9 -4.791 -4.509 -0.115 51 HB2 CYS 9 2HB CYS 9 -4.376 -3.273 2.028 52 HB3 CYS 9 1HB CYS 9 -3.072 -3.192 0.864 53 H THR 10 H THR 10 -7.075 -4.329 -1.175 54 HA THR 10 HA THR 10 -9.082 -2.754 -0.038 55 HB THR 10 HB THR 10 -10.543 -4.836 -0.686 56 HG1 THR 10 1HG THR 10 -9.401 -6.124 -2.262 57 HG21 THR 10 3HG2 THR 10 -9.003 -3.457 -2.877 58 HG22 THR 10 1HG2 THR 10 -10.256 -2.652 -1.933 59 HG23 THR 10 2HG2 THR 10 -10.663 -4.053 -2.925 60 H LEU 11 H LEU 11 -7.646 -5.779 0.983 61 HA LEU 11 HA LEU 11 -9.481 -6.148 3.183 62 HB2 LEU 11 2HB LEU 11 -6.943 -7.613 2.459 63 HB3 LEU 11 1HB LEU 11 -8.053 -8.088 3.729 64 HG LEU 11 HG LEU 11 -8.706 -7.995 0.782 65 HD11 LEU 11 1HD1 LEU 11 -7.828 -10.162 2.630 66 HD12 LEU 11 2HD1 LEU 11 -7.382 -9.861 0.950 67 HD13 LEU 11 3HD1 LEU 11 -8.964 -10.541 1.334 68 HD21 LEU 11 3HD2 LEU 11 -10.373 -9.214 2.960 69 HD22 LEU 11 1HD2 LEU 11 -10.832 -8.823 1.302 70 HD23 LEU 11 2HD2 LEU 11 -10.568 -7.531 2.473 71 H GLY 12 H GLY 12 -6.547 -4.472 2.633 72 HA2 GLY 12 2HA GLY 12 -5.694 -2.905 4.201 73 HA3 GLY 12 1HA GLY 12 -6.377 -3.876 5.499 74 H THR 13 H THR 13 -4.350 -4.882 2.792 75 HA THR 13 HA THR 13 -2.030 -5.244 4.472 76 HB THR 13 HB THR 13 -3.522 -7.599 3.299 77 HG1 THR 13 1HG THR 13 -3.574 -6.524 5.682 78 HG21 THR 13 3HG2 THR 13 -1.586 -8.949 4.206 79 HG22 THR 13 1HG2 THR 13 -0.695 -7.432 4.334 80 HG23 THR 13 2HG2 THR 13 -1.241 -8.004 2.755 81 H CYS 14 H CYS 14 -0.197 -5.076 3.280 82 HA CYS 14 HA CYS 14 -0.453 -5.279 0.356 83 HB2 CYS 14 2HB CYS 14 1.381 -3.402 1.864 84 HB3 CYS 14 1HB CYS 14 1.157 -3.481 0.119 85 H TYR 15 H TYR 15 0.750 -6.852 -0.458 86 HA TYR 15 HA TYR 15 2.716 -8.144 1.213 87 HB2 TYR 15 2HB TYR 15 2.920 -9.783 -0.618 88 HB3 TYR 15 1HB TYR 15 1.257 -9.557 -0.100 89 HD1 TYR 15 1HD TYR 15 3.664 -8.395 -2.710 90 HD2 TYR 15 2HD TYR 15 -0.384 -9.206 -1.686 91 HE1 TYR 15 1HE TYR 15 3.010 -7.980 -5.036 92 HE2 TYR 15 2HE TYR 15 -1.058 -8.798 -4.019 93 HH TYR 15 HH TYR 15 0.419 -7.194 -6.106 94 H VAL 16 H VAL 16 2.725 -5.812 -1.340 95 HA VAL 16 HA VAL 16 5.324 -6.227 -2.336 96 HB VAL 16 HB VAL 16 3.792 -3.622 -2.142 97 HG11 VAL 16 1HG1 VAL 16 5.799 -3.927 -4.254 98 HG12 VAL 16 2HG1 VAL 16 6.471 -3.860 -2.625 99 HG13 VAL 16 3HG1 VAL 16 5.449 -2.547 -3.212 100 HG21 VAL 16 3HG2 VAL 16 3.729 -5.909 -3.987 101 HG22 VAL 16 1HG2 VAL 16 3.815 -4.326 -4.761 102 HG23 VAL 16 2HG2 VAL 16 2.500 -4.691 -3.644 103 HA PRO 17 HA PRO 17 7.988 -5.615 1.108 104 HB2 PRO 17 2HB PRO 17 9.650 -4.409 -1.063 105 HB3 PRO 17 1HB PRO 17 10.102 -5.579 0.182 106 HG2 PRO 17 2HG PRO 17 9.599 -6.340 -2.336 107 HG3 PRO 17 1HG PRO 17 9.161 -7.352 -0.949 108 HD2 PRO 17 2HD PRO 17 7.423 -5.806 -2.770 109 HD3 PRO 17 1HD PRO 17 7.042 -7.212 -1.760 110 H ASP 18 H ASP 18 7.849 -4.120 2.555 111 HA ASP 18 HA ASP 18 7.806 -2.178 3.689 112 HB2 ASP 18 2HB ASP 18 10.062 -2.027 2.538 113 HB3 ASP 18 1HB ASP 18 9.294 -0.944 1.378 114 H CYS 19 H CYS 19 5.785 -2.618 1.310 115 HA CYS 19 HA CYS 19 5.025 0.159 0.914 116 HB2 CYS 19 2HB CYS 19 4.132 -2.430 -0.271 117 HB3 CYS 19 1HB CYS 19 3.061 -1.031 -0.354 118 H SER 20 H SER 20 3.639 1.211 2.067 119 HA SER 20 HA SER 20 2.207 -0.148 4.197 120 HB2 SER 20 2HB SER 20 2.361 2.814 3.587 121 HB3 SER 20 1HB SER 20 1.888 2.061 5.113 122 HG SER 20 HG SER 20 4.182 1.064 4.764 123 H CYS 21 H CYS 21 -0.015 -0.189 4.406 124 HA CYS 21 HA CYS 21 -1.498 0.006 1.973 125 HB2 CYS 21 2HB CYS 21 -2.040 -1.748 3.563 126 HB3 CYS 21 1HB CYS 21 -2.406 -0.553 4.803 127 H SER 22 H SER 22 -2.236 1.819 1.165 128 HA SER 22 HA SER 22 -3.136 3.944 2.995 129 HB2 SER 22 2HB SER 22 -1.996 4.127 0.192 130 HB3 SER 22 1HB SER 22 -2.592 5.497 1.117 131 HG SER 22 HG SER 22 -0.906 4.275 2.687 132 H TRP 23 H TRP 23 -4.697 1.924 2.612 133 HA TRP 23 HA TRP 23 -6.295 1.097 0.859 134 HB2 TRP 23 2HB TRP 23 -6.738 1.036 3.337 135 HB3 TRP 23 1HB TRP 23 -7.627 2.546 3.139 136 HD1 TRP 23 HD TRP 23 -7.909 -1.188 2.547 137 HE1 TRP 23 1HE TRP 23 -10.287 -1.744 1.728 138 HE3 TRP 23 3HE TRP 23 -9.616 3.561 1.759 139 HZ2 TRP 23 2HZ TRP 23 -12.579 -0.335 0.834 140 HZ3 TRP 23 3HZ TRP 23 -11.896 3.876 0.909 141 HH2 TRP 23 HH TRP 23 -13.337 1.973 0.448 142 HA PRO 24 HA PRO 24 -7.720 0.460 -0.193 143 HB2 PRO 24 2HB PRO 24 -8.358 0.243 -2.775 144 HB3 PRO 24 1HB PRO 24 -9.557 0.704 -1.560 145 HG2 PRO 24 2HG PRO 24 -8.035 2.441 -3.470 146 HG3 PRO 24 1HG PRO 24 -9.751 2.499 -3.030 147 HD2 PRO 24 2HD PRO 24 -7.842 4.149 -1.950 148 HD3 PRO 24 1HD PRO 24 -9.358 3.701 -1.129 149 H ILE 25 H ILE 25 -5.745 2.710 -2.003 150 HA ILE 25 HA ILE 25 -4.183 0.561 -3.197 151 HB ILE 25 HB ILE 25 -3.727 3.533 -3.405 152 HG12 ILE 25 2HG1 ILE 25 -5.266 1.656 -5.211 153 HG13 ILE 25 1HG1 ILE 25 -5.942 2.971 -4.254 154 HG21 ILE 25 1HG2 ILE 25 -2.736 1.259 -5.115 155 HG22 ILE 25 2HG2 ILE 25 -1.772 2.180 -3.961 156 HG23 ILE 25 3HG2 ILE 25 -2.431 2.973 -5.391 157 HD11 ILE 25 3HD1 ILE 25 -5.482 3.269 -6.802 158 HD12 ILE 25 1HD1 ILE 25 -3.832 3.574 -6.258 159 HD13 ILE 25 2HD1 ILE 25 -5.154 4.584 -5.672 160 H CYS 26 H CYS 26 -1.986 0.206 -2.843 161 HA CYS 26 HA CYS 26 -1.079 0.932 -0.173 162 HB2 CYS 26 2HB CYS 26 0.245 -0.828 -2.248 163 HB3 CYS 26 1HB CYS 26 0.756 -0.630 -0.574 164 H MET 27 H MET 27 0.526 2.365 0.282 165 HA MET 27 HA MET 27 2.028 3.504 -1.978 166 HB2 MET 27 2HB MET 27 0.807 5.155 0.241 167 HB3 MET 27 1HB MET 27 1.717 5.755 -1.136 168 HG2 MET 27 2HG MET 27 -0.069 4.947 -2.625 169 HG3 MET 27 1HG MET 27 -0.981 4.431 -1.216 170 HE1 MET 27 3HE MET 27 -2.268 6.571 -3.429 171 HE2 MET 27 1HE MET 27 -3.157 7.418 -2.164 172 HE3 MET 27 2HE MET 27 -2.967 5.667 -2.086 173 H LYS 28 H LYS 28 4.096 4.088 -1.554 174 HA LYS 28 HA LYS 28 5.136 3.387 1.103 175 HB2 LYS 28 2HB LYS 28 6.266 2.089 -0.526 176 HB3 LYS 28 1HB LYS 28 6.388 3.443 -1.640 177 HG2 LYS 28 2HG LYS 28 8.549 3.221 -0.872 178 HG3 LYS 28 1HG LYS 28 7.910 4.487 0.174 179 HD2 LYS 28 2HD LYS 28 7.902 1.584 0.960 180 HD3 LYS 28 1HD LYS 28 9.271 2.645 1.281 181 HE2 LYS 28 2HE LYS 28 7.762 4.140 2.550 182 HE3 LYS 28 1HE LYS 28 6.449 2.993 2.287 183 HZ1 LYS 28 3HZ LYS 28 8.903 1.920 3.442 184 HZ2 LYS 28 1HZ LYS 28 7.286 1.548 3.785 185 HZ3 LYS 28 2HZ LYS 28 7.986 2.944 4.438 186 H ASN 29 H ASN 29 5.045 5.162 2.305 187 HA ASN 29 HA ASN 29 5.404 7.257 3.093 188 HB2 ASN 29 2HB ASN 29 7.483 7.493 0.903 189 HB3 ASN 29 1HB ASN 29 7.361 8.497 2.343 190 HD21 ASN 29 1HD2 ASN 29 9.309 6.417 1.122 191 HD22 ASN 29 2HD2 ASN 29 9.769 5.484 2.501 Start of MODEL 4 1 H1 GLY 1 H GLY 1 3.236 6.936 1.155 2 HA2 GLY 1 2HA GLY 1 1.652 8.507 0.390 3 HA3 GLY 1 1HA GLY 1 2.942 9.683 0.207 4 H LEU 2 H LEU 2 4.507 7.423 -1.222 5 HA LEU 2 HA LEU 2 3.457 8.100 -3.848 6 HB2 LEU 2 2HB LEU 2 5.999 6.785 -2.934 7 HB3 LEU 2 1HB LEU 2 5.538 6.848 -4.624 8 HG LEU 2 HG LEU 2 7.015 8.630 -4.345 9 HD11 LEU 2 1HD1 LEU 2 4.966 9.239 -5.545 10 HD12 LEU 2 2HD1 LEU 2 5.715 10.617 -4.740 11 HD13 LEU 2 3HD1 LEU 2 4.288 9.855 -4.038 12 HD21 LEU 2 3HD2 LEU 2 5.578 9.874 -2.063 13 HD22 LEU 2 1HD2 LEU 2 7.281 9.968 -2.515 14 HD23 LEU 2 2HD2 LEU 2 6.651 8.512 -1.744 15 HA PRO 3 HA PRO 3 1.464 4.082 -3.913 16 HB2 PRO 3 2HB PRO 3 -0.079 4.516 -6.068 17 HB3 PRO 3 1HB PRO 3 -0.436 5.260 -4.503 18 HG2 PRO 3 2HG PRO 3 0.884 6.447 -6.910 19 HG3 PRO 3 1HG PRO 3 -0.309 7.169 -5.816 20 HD2 PRO 3 2HD PRO 3 2.399 7.636 -5.682 21 HD3 PRO 3 1HD PRO 3 1.287 7.808 -4.311 22 H THR 4 H THR 4 4.110 4.353 -4.953 23 HA THR 4 HA THR 4 4.113 3.271 -7.634 24 HB THR 4 HB THR 4 6.581 3.248 -7.329 25 HG1 THR 4 1HG THR 4 6.829 2.931 -5.142 26 HG21 THR 4 3HG2 THR 4 4.959 5.708 -6.783 27 HG22 THR 4 1HG2 THR 4 5.824 5.248 -8.252 28 HG23 THR 4 2HG2 THR 4 6.722 5.799 -6.837 29 H CYS 5 H CYS 5 2.861 1.750 -5.438 30 HA CYS 5 HA CYS 5 4.614 -0.570 -5.182 31 HB2 CYS 5 2HB CYS 5 1.918 -0.005 -3.935 32 HB3 CYS 5 1HB CYS 5 2.941 -1.393 -3.581 33 H GLY 6 H GLY 6 1.574 0.440 -6.614 34 HA2 GLY 6 2HA GLY 6 0.306 -0.517 -8.280 35 HA3 GLY 6 1HA GLY 6 1.645 -1.625 -8.568 36 H GLU 7 H GLU 7 -0.100 -1.164 -5.559 37 HA GLU 7 HA GLU 7 -1.384 -3.777 -5.859 38 HB2 GLU 7 2HB GLU 7 0.856 -3.794 -4.514 39 HB3 GLU 7 1HB GLU 7 -0.093 -3.012 -3.260 40 HG2 GLU 7 2HG GLU 7 -1.713 -4.959 -3.498 41 HG3 GLU 7 1HG GLU 7 -0.434 -5.754 -4.414 42 H THR 8 H THR 8 -3.297 -3.986 -4.714 43 HA THR 8 HA THR 8 -4.302 -1.519 -3.465 44 HB THR 8 HB THR 8 -6.593 -2.416 -4.129 45 HG1 THR 8 1HG THR 8 -5.672 -4.561 -4.652 46 HG21 THR 8 3HG2 THR 8 -4.826 -0.789 -5.472 47 HG22 THR 8 1HG2 THR 8 -6.530 -1.007 -5.874 48 HG23 THR 8 2HG2 THR 8 -5.299 -1.957 -6.706 49 H CYS 9 H CYS 9 -4.384 -1.784 -1.329 50 HA CYS 9 HA CYS 9 -4.718 -4.436 -0.210 51 HB2 CYS 9 2HB CYS 9 -4.348 -3.282 1.973 52 HB3 CYS 9 1HB CYS 9 -3.028 -3.117 0.833 53 H THR 10 H THR 10 -6.973 -4.221 -1.335 54 HA THR 10 HA THR 10 -9.012 -2.698 -0.182 55 HB THR 10 HB THR 10 -10.473 -4.689 -1.000 56 HG1 THR 10 1HG THR 10 -9.327 -6.025 -2.496 57 HG21 THR 10 3HG2 THR 10 -10.637 -2.943 -2.446 58 HG22 THR 10 1HG2 THR 10 -9.675 -4.008 -3.471 59 HG23 THR 10 2HG2 THR 10 -8.891 -2.725 -2.550 60 H LEU 11 H LEU 11 -7.571 -5.746 0.733 61 HA LEU 11 HA LEU 11 -9.468 -6.263 2.850 62 HB2 LEU 11 2HB LEU 11 -6.859 -7.619 2.160 63 HB3 LEU 11 1HB LEU 11 -8.004 -8.185 3.361 64 HG LEU 11 HG LEU 11 -8.540 -7.973 0.396 65 HD11 LEU 11 1HD1 LEU 11 -7.435 -9.903 0.291 66 HD12 LEU 11 2HD1 LEU 11 -8.780 -10.606 1.188 67 HD13 LEU 11 3HD1 LEU 11 -7.349 -10.038 2.048 68 HD21 LEU 11 3HD2 LEU 11 -10.260 -8.449 2.734 69 HD22 LEU 11 1HD2 LEU 11 -10.464 -9.583 1.399 70 HD23 LEU 11 2HD2 LEU 11 -10.667 -7.852 1.126 71 H GLY 12 H GLY 12 -6.495 -4.566 2.473 72 HA2 GLY 12 2HA GLY 12 -5.759 -3.015 4.131 73 HA3 GLY 12 1HA GLY 12 -6.461 -4.051 5.366 74 H THR 13 H THR 13 -4.314 -4.914 2.696 75 HA THR 13 HA THR 13 -2.030 -5.248 4.420 76 HB THR 13 HB THR 13 -3.440 -7.642 3.224 77 HG1 THR 13 1HG THR 13 -3.576 -6.579 5.598 78 HG21 THR 13 3HG2 THR 13 -0.637 -7.412 4.312 79 HG22 THR 13 1HG2 THR 13 -1.133 -7.971 2.713 80 HG23 THR 13 2HG2 THR 13 -1.487 -8.948 4.142 81 H CYS 14 H CYS 14 -0.174 -5.050 3.257 82 HA CYS 14 HA CYS 14 -0.384 -5.239 0.326 83 HB2 CYS 14 2HB CYS 14 1.399 -3.355 1.886 84 HB3 CYS 14 1HB CYS 14 1.218 -3.425 0.135 85 H TYR 15 H TYR 15 0.842 -6.803 -0.478 86 HA TYR 15 HA TYR 15 2.805 -8.074 1.213 87 HB2 TYR 15 2HB TYR 15 3.037 -9.721 -0.601 88 HB3 TYR 15 1HB TYR 15 1.365 -9.498 -0.112 89 HD1 TYR 15 2HD TYR 15 3.811 -8.351 -2.691 90 HD2 TYR 15 1HD TYR 15 -0.251 -9.170 -1.729 91 HE1 TYR 15 2HE TYR 15 3.197 -7.975 -5.035 92 HE2 TYR 15 1HE TYR 15 -0.882 -8.810 -4.083 93 HH TYR 15 HH TYR 15 0.635 -7.227 -6.172 94 H VAL 16 H VAL 16 2.820 -5.771 -1.377 95 HA VAL 16 HA VAL 16 5.440 -6.168 -2.319 96 HB VAL 16 HB VAL 16 3.889 -3.569 -2.193 97 HG11 VAL 16 1HG1 VAL 16 6.601 -3.968 -2.790 98 HG12 VAL 16 2HG1 VAL 16 5.638 -2.521 -3.088 99 HG13 VAL 16 3HG1 VAL 16 5.790 -3.753 -4.342 100 HG21 VAL 16 3HG2 VAL 16 3.845 -4.251 -4.772 101 HG22 VAL 16 1HG2 VAL 16 2.608 -4.775 -3.630 102 HG23 VAL 16 2HG2 VAL 16 3.924 -5.865 -4.065 103 HA PRO 17 HA PRO 17 8.073 -5.451 1.123 104 HB2 PRO 17 2HB PRO 17 9.706 -4.184 -1.036 105 HB3 PRO 17 1HB PRO 17 10.192 -5.338 0.211 106 HG2 PRO 17 2HG PRO 17 9.728 -6.113 -2.311 107 HG3 PRO 17 1HG PRO 17 9.322 -7.142 -0.928 108 HD2 PRO 17 2HD PRO 17 7.535 -5.665 -2.756 109 HD3 PRO 17 1HD PRO 17 7.201 -7.079 -1.742 110 H ASP 18 H ASP 18 7.869 -3.974 2.572 111 HA ASP 18 HA ASP 18 7.725 -2.042 3.716 112 HB2 ASP 18 2HB ASP 18 10.003 -1.801 2.600 113 HB3 ASP 18 1HB ASP 18 9.214 -0.710 1.463 114 H CYS 19 H CYS 19 5.729 -2.545 1.372 115 HA CYS 19 HA CYS 19 4.938 0.212 0.899 116 HB2 CYS 19 2HB CYS 19 4.047 -2.413 -0.218 117 HB3 CYS 19 1HB CYS 19 3.003 -0.998 -0.364 118 H SER 20 H SER 20 3.542 1.274 2.031 119 HA SER 20 HA SER 20 2.142 -0.064 4.196 120 HB2 SER 20 2HB SER 20 2.236 2.889 3.532 121 HB3 SER 20 1HB SER 20 1.792 2.154 5.074 122 HG SER 20 HG SER 20 4.139 1.205 4.604 123 H CYS 21 H CYS 21 -0.072 -0.124 4.433 124 HA CYS 21 HA CYS 21 -1.579 -0.025 2.009 125 HB2 CYS 21 2HB CYS 21 -2.061 -1.744 3.663 126 HB3 CYS 21 1HB CYS 21 -2.465 -0.517 4.859 127 H SER 22 H SER 22 -2.219 1.810 1.164 128 HA SER 22 HA SER 22 -3.224 3.934 2.944 129 HB2 SER 22 2HB SER 22 -2.064 4.099 0.146 130 HB3 SER 22 1HB SER 22 -2.673 5.470 1.062 131 HG SER 22 HG SER 22 -0.995 4.318 2.661 132 H TRP 23 H TRP 23 -4.763 1.896 2.590 133 HA TRP 23 HA TRP 23 -6.330 1.031 0.803 134 HB2 TRP 23 2HB TRP 23 -6.771 0.937 3.277 135 HB3 TRP 23 1HB TRP 23 -7.669 2.444 3.106 136 HD1 TRP 23 HD TRP 23 -7.940 -1.283 2.483 137 HE1 TRP 23 1HE TRP 23 -10.320 -1.842 1.671 138 HE3 TRP 23 3HE TRP 23 -9.671 3.467 1.756 139 HZ2 TRP 23 2HZ TRP 23 -12.624 -0.431 0.805 140 HZ3 TRP 23 3HZ TRP 23 -11.958 3.781 0.923 141 HH2 TRP 23 HH TRP 23 -13.393 1.878 0.451 142 HA PRO 24 HA PRO 24 -7.772 0.383 -0.252 143 HB2 PRO 24 2HB PRO 24 -8.510 0.182 -2.796 144 HB3 PRO 24 1HB PRO 24 -9.666 0.655 -1.542 145 HG2 PRO 24 2HG PRO 24 -8.190 2.375 -3.501 146 HG3 PRO 24 1HG PRO 24 -9.894 2.447 -3.015 147 HD2 PRO 24 2HD PRO 24 -7.936 4.081 -1.991 148 HD3 PRO 24 1HD PRO 24 -9.437 3.654 -1.131 149 H ILE 25 H ILE 25 -5.658 2.629 -1.682 150 HA ILE 25 HA ILE 25 -4.254 0.501 -3.145 151 HB ILE 25 HB ILE 25 -3.819 3.478 -3.357 152 HG12 ILE 25 2HG1 ILE 25 -5.394 1.592 -5.123 153 HG13 ILE 25 1HG1 ILE 25 -6.051 2.903 -4.147 154 HG21 ILE 25 1HG2 ILE 25 -2.561 2.951 -5.364 155 HG22 ILE 25 2HG2 ILE 25 -2.867 1.231 -5.123 156 HG23 ILE 25 3HG2 ILE 25 -1.875 2.120 -3.968 157 HD11 ILE 25 3HD1 ILE 25 -5.343 4.515 -5.595 158 HD12 ILE 25 1HD1 ILE 25 -5.640 3.187 -6.718 159 HD13 ILE 25 2HD1 ILE 25 -3.995 3.543 -6.188 160 H CYS 26 H CYS 26 -2.015 0.168 -2.864 161 HA CYS 26 HA CYS 26 -1.068 0.897 -0.211 162 HB2 CYS 26 2HB CYS 26 0.233 -0.853 -2.308 163 HB3 CYS 26 1HB CYS 26 0.773 -0.642 -0.643 164 H MET 27 H MET 27 0.507 2.347 0.234 165 HA MET 27 HA MET 27 1.996 3.513 -2.020 166 HB2 MET 27 2HB MET 27 0.747 5.144 0.199 167 HB3 MET 27 1HB MET 27 1.650 5.758 -1.177 168 HG2 MET 27 2HG MET 27 -0.127 4.923 -2.666 169 HG3 MET 27 1HG MET 27 -1.034 4.407 -1.254 170 HE1 MET 27 3HE MET 27 -3.374 7.032 -1.918 171 HE2 MET 27 1HE MET 27 -2.761 5.503 -2.548 172 HE3 MET 27 2HE MET 27 -2.437 7.005 -3.411 173 H LYS 28 H LYS 28 4.042 4.204 -1.565 174 HA LYS 28 HA LYS 28 5.084 3.487 1.092 175 HB2 LYS 28 2HB LYS 28 6.221 2.192 -0.537 176 HB3 LYS 28 1HB LYS 28 6.343 3.544 -1.647 177 HG2 LYS 28 2HG LYS 28 8.503 3.323 -0.875 178 HG3 LYS 28 1HG LYS 28 7.863 4.595 0.160 179 HD2 LYS 28 2HD LYS 28 7.861 1.699 0.975 180 HD3 LYS 28 1HD LYS 28 9.234 2.761 1.277 181 HE2 LYS 28 2HE LYS 28 7.676 4.289 2.499 182 HE3 LYS 28 1HE LYS 28 6.423 3.061 2.321 183 HZ1 LYS 28 3HZ LYS 28 7.400 1.707 3.836 184 HZ2 LYS 28 1HZ LYS 28 7.978 3.180 4.437 185 HZ3 LYS 28 2HZ LYS 28 8.973 2.206 3.470 186 H ASN 29 H ASN 29 4.956 5.271 2.278 187 HA ASN 29 HA ASN 29 5.297 7.371 3.058 188 HB2 ASN 29 2HB ASN 29 7.367 7.634 0.862 189 HB3 ASN 29 1HB ASN 29 7.235 8.635 2.303 190 HD21 ASN 29 1HD2 ASN 29 9.213 6.595 1.074 191 HD22 ASN 29 2HD2 ASN 29 9.693 5.665 2.449 Start of MODEL 5 1 H1 GLY 1 H GLY 1 3.502 6.961 1.050 2 HA2 GLY 1 2HA GLY 1 1.896 8.563 0.399 3 HA3 GLY 1 1HA GLY 1 3.194 9.707 0.098 4 H LEU 2 H LEU 2 4.610 7.441 -1.432 5 HA LEU 2 HA LEU 2 3.340 8.083 -3.967 6 HB2 LEU 2 2HB LEU 2 5.954 6.789 -3.254 7 HB3 LEU 2 1HB LEU 2 5.355 6.828 -4.899 8 HG LEU 2 HG LEU 2 6.838 8.620 -4.769 9 HD11 LEU 2 1HD1 LEU 2 4.508 9.120 -5.661 10 HD12 LEU 2 2HD1 LEU 2 5.554 10.490 -5.285 11 HD13 LEU 2 3HD1 LEU 2 4.270 10.028 -4.167 12 HD21 LEU 2 3HD2 LEU 2 7.195 8.714 -2.394 13 HD22 LEU 2 1HD2 LEU 2 5.573 9.357 -2.141 14 HD23 LEU 2 2HD2 LEU 2 6.783 10.325 -2.981 15 HA PRO 3 HA PRO 3 1.374 4.051 -3.824 16 HB2 PRO 3 2HB PRO 3 -0.345 4.454 -5.847 17 HB3 PRO 3 1HB PRO 3 -0.577 5.212 -4.267 18 HG2 PRO 3 2HG PRO 3 0.527 6.381 -6.787 19 HG3 PRO 3 1HG PRO 3 -0.574 7.107 -5.603 20 HD2 PRO 3 2HD PRO 3 2.136 7.590 -5.707 21 HD3 PRO 3 1HD PRO 3 1.142 7.778 -4.250 22 H THR 4 H THR 4 3.924 4.352 -5.087 23 HA THR 4 HA THR 4 3.720 3.248 -7.748 24 HB THR 4 HB THR 4 6.201 3.270 -7.659 25 HG1 THR 4 1HG THR 4 6.671 2.958 -5.517 26 HG21 THR 4 3HG2 THR 4 6.372 5.805 -7.224 27 HG22 THR 4 1HG2 THR 4 4.636 5.723 -6.915 28 HG23 THR 4 2HG2 THR 4 5.274 5.257 -8.494 29 H CYS 5 H CYS 5 2.753 1.754 -5.334 30 HA CYS 5 HA CYS 5 4.537 -0.534 -5.213 31 HB2 CYS 5 2HB CYS 5 1.877 -0.028 -3.865 32 HB3 CYS 5 1HB CYS 5 2.932 -1.401 -3.555 33 H GLY 6 H GLY 6 1.456 0.404 -6.571 34 HA2 GLY 6 2HA GLY 6 0.166 -0.577 -8.203 35 HA3 GLY 6 1HA GLY 6 1.507 -1.676 -8.505 36 H GLU 7 H GLU 7 -0.185 -1.226 -5.461 37 HA GLU 7 HA GLU 7 -1.419 -3.868 -5.753 38 HB2 GLU 7 2HB GLU 7 0.789 -3.798 -4.361 39 HB3 GLU 7 1HB GLU 7 -0.210 -3.026 -3.138 40 HG2 GLU 7 2HG GLU 7 -1.773 -5.021 -3.396 41 HG3 GLU 7 1HG GLU 7 -0.445 -5.790 -4.264 42 H THR 8 H THR 8 -3.332 -4.140 -4.610 43 HA THR 8 HA THR 8 -4.478 -1.674 -3.477 44 HB THR 8 HB THR 8 -6.021 -3.903 -4.817 45 HG1 THR 8 1HG THR 8 -4.449 -2.120 -5.965 46 HG21 THR 8 3HG2 THR 8 -7.245 -2.436 -3.211 47 HG22 THR 8 1HG2 THR 8 -7.845 -2.329 -4.865 48 HG23 THR 8 2HG2 THR 8 -6.816 -1.052 -4.216 49 H CYS 9 H CYS 9 -4.460 -1.906 -1.325 50 HA CYS 9 HA CYS 9 -4.808 -4.526 -0.134 51 HB2 CYS 9 2HB CYS 9 -4.396 -3.306 2.016 52 HB3 CYS 9 1HB CYS 9 -3.084 -3.225 0.860 53 H THR 10 H THR 10 -7.082 -4.322 -1.215 54 HA THR 10 HA THR 10 -9.083 -2.738 -0.074 55 HB THR 10 HB THR 10 -10.560 -4.797 -0.760 56 HG1 THR 10 1HG THR 10 -9.425 -6.084 -2.334 57 HG21 THR 10 3HG2 THR 10 -9.321 -3.867 -3.213 58 HG22 THR 10 1HG2 THR 10 -9.616 -2.545 -2.084 59 HG23 THR 10 2HG2 THR 10 -10.949 -3.581 -2.596 60 H LEU 11 H LEU 11 -7.661 -5.771 0.922 61 HA LEU 11 HA LEU 11 -9.516 -6.202 3.087 62 HB2 LEU 11 2HB LEU 11 -6.912 -7.576 2.422 63 HB3 LEU 11 1HB LEU 11 -8.050 -8.102 3.647 64 HG LEU 11 HG LEU 11 -8.604 -7.990 0.680 65 HD11 LEU 11 1HD1 LEU 11 -7.041 -9.802 1.912 66 HD12 LEU 11 2HD1 LEU 11 -8.062 -10.171 0.520 67 HD13 LEU 11 3HD1 LEU 11 -8.625 -10.542 2.150 68 HD21 LEU 11 3HD2 LEU 11 -10.608 -9.386 1.425 69 HD22 LEU 11 1HD2 LEU 11 -10.666 -7.652 1.744 70 HD23 LEU 11 2HD2 LEU 11 -10.278 -8.775 3.047 71 H GLY 12 H GLY 12 -6.582 -4.479 2.612 72 HA2 GLY 12 2HA GLY 12 -5.819 -2.880 4.201 73 HA3 GLY 12 1HA GLY 12 -6.511 -3.866 5.482 74 H THR 13 H THR 13 -4.413 -4.878 2.835 75 HA THR 13 HA THR 13 -2.104 -5.130 4.544 76 HB THR 13 HB THR 13 -3.558 -7.561 3.492 77 HG1 THR 13 1HG THR 13 -3.617 -6.393 5.812 78 HG21 THR 13 3HG2 THR 13 -1.297 -7.982 2.919 79 HG22 THR 13 1HG2 THR 13 -1.575 -8.832 4.441 80 HG23 THR 13 2HG2 THR 13 -0.710 -7.296 4.437 81 H CYS 14 H CYS 14 -0.282 -4.923 3.354 82 HA CYS 14 HA CYS 14 -0.515 -5.256 0.439 83 HB2 CYS 14 2HB CYS 14 1.340 -3.364 1.901 84 HB3 CYS 14 1HB CYS 14 1.119 -3.488 0.158 85 H TYR 15 H TYR 15 0.690 -6.849 -0.341 86 HA TYR 15 HA TYR 15 2.606 -8.139 1.386 87 HB2 TYR 15 2HB TYR 15 2.824 -9.808 -0.414 88 HB3 TYR 15 1HB TYR 15 1.152 -9.548 0.062 89 HD1 TYR 15 2HD TYR 15 3.646 -8.519 -2.510 90 HD2 TYR 15 1HD TYR 15 -0.452 -9.142 -1.555 91 HE1 TYR 15 2HE TYR 15 3.059 -8.138 -4.860 92 HE2 TYR 15 1HE TYR 15 -1.058 -8.777 -3.916 93 HH TYR 15 HH TYR 15 0.511 -7.286 -6.007 94 H VAL 16 H VAL 16 2.699 -5.848 -1.207 95 HA VAL 16 HA VAL 16 5.322 -6.299 -2.123 96 HB VAL 16 HB VAL 16 3.827 -3.666 -2.002 97 HG11 VAL 16 1HG1 VAL 16 5.464 -3.320 -4.056 98 HG12 VAL 16 2HG1 VAL 16 6.463 -4.444 -3.136 99 HG13 VAL 16 3HG1 VAL 16 5.951 -2.921 -2.409 100 HG21 VAL 16 3HG2 VAL 16 4.175 -5.577 -4.310 101 HG22 VAL 16 1HG2 VAL 16 3.228 -4.089 -4.296 102 HG23 VAL 16 2HG2 VAL 16 2.724 -5.463 -3.314 103 HA PRO 17 HA PRO 17 7.739 -5.537 1.458 104 HB2 PRO 17 2HB PRO 17 9.998 -4.707 -0.001 105 HB3 PRO 17 1HB PRO 17 9.635 -6.339 0.560 106 HG2 PRO 17 2HG PRO 17 9.254 -5.130 -2.119 107 HG3 PRO 17 1HG PRO 17 9.593 -6.813 -1.678 108 HD2 PRO 17 2HD PRO 17 7.157 -5.990 -2.501 109 HD3 PRO 17 1HD PRO 17 7.359 -7.295 -1.316 110 H ASP 18 H ASP 18 7.776 -3.922 2.754 111 HA ASP 18 HA ASP 18 7.897 -1.886 3.702 112 HB2 ASP 18 2HB ASP 18 10.075 -1.862 2.356 113 HB3 ASP 18 1HB ASP 18 9.220 -0.825 1.216 114 H CYS 19 H CYS 19 5.807 -2.513 1.360 115 HA CYS 19 HA CYS 19 4.997 0.233 0.868 116 HB2 CYS 19 2HB CYS 19 4.128 -2.412 -0.213 117 HB3 CYS 19 1HB CYS 19 3.055 -1.019 -0.356 118 H SER 20 H SER 20 3.597 1.304 1.989 119 HA SER 20 HA SER 20 2.206 -0.011 4.179 120 HB2 SER 20 2HB SER 20 2.302 2.932 3.472 121 HB3 SER 20 1HB SER 20 1.856 2.221 5.026 122 HG SER 20 HG SER 20 4.219 1.270 4.512 123 H CYS 21 H CYS 21 -0.007 -0.115 4.394 124 HA CYS 21 HA CYS 21 -1.514 0.036 1.966 125 HB2 CYS 21 2HB CYS 21 -1.998 -1.742 3.549 126 HB3 CYS 21 1HB CYS 21 -2.384 -0.565 4.800 127 H SER 22 H SER 22 -2.220 1.870 1.176 128 HA SER 22 HA SER 22 -3.192 3.946 3.026 129 HB2 SER 22 2HB SER 22 -2.094 4.191 0.210 130 HB3 SER 22 1HB SER 22 -2.677 5.533 1.183 131 HG SER 22 HG SER 22 -0.960 4.325 2.700 132 H TRP 23 H TRP 23 -4.727 1.919 2.656 133 HA TRP 23 HA TRP 23 -6.316 1.061 0.906 134 HB2 TRP 23 2HB TRP 23 -6.753 0.999 3.384 135 HB3 TRP 23 1HB TRP 23 -7.658 2.499 3.189 136 HD1 TRP 23 HD TRP 23 -7.906 -1.238 2.606 137 HE1 TRP 23 1HE TRP 23 -10.281 -1.819 1.795 138 HE3 TRP 23 3HE TRP 23 -9.660 3.493 1.812 139 HZ2 TRP 23 2HZ TRP 23 -12.589 -0.432 0.902 140 HZ3 TRP 23 3HZ TRP 23 -11.946 3.784 0.967 141 HH2 TRP 23 HH TRP 23 -13.369 1.867 0.514 142 HA PRO 24 HA PRO 24 -7.719 0.405 -0.147 143 HB2 PRO 24 2HB PRO 24 -8.380 0.173 -2.719 144 HB3 PRO 24 1HB PRO 24 -9.575 0.621 -1.495 145 HG2 PRO 24 2HG PRO 24 -8.095 2.371 -3.425 146 HG3 PRO 24 1HG PRO 24 -9.808 2.409 -2.969 147 HD2 PRO 24 2HD PRO 24 -7.905 4.085 -1.914 148 HD3 PRO 24 1HD PRO 24 -9.411 3.629 -1.081 149 H ILE 25 H ILE 25 -5.778 2.691 -1.935 150 HA ILE 25 HA ILE 25 -4.209 0.567 -3.168 151 HB ILE 25 HB ILE 25 -3.784 3.544 -3.365 152 HG12 ILE 25 2HG1 ILE 25 -5.336 1.664 -5.158 153 HG13 ILE 25 1HG1 ILE 25 -6.004 2.975 -4.189 154 HG21 ILE 25 1HG2 ILE 25 -2.006 1.660 -4.007 155 HG22 ILE 25 2HG2 ILE 25 -2.184 3.156 -4.924 156 HG23 ILE 25 3HG2 ILE 25 -2.948 1.673 -5.499 157 HD11 ILE 25 3HD1 ILE 25 -3.923 3.595 -6.217 158 HD12 ILE 25 1HD1 ILE 25 -5.248 4.593 -5.617 159 HD13 ILE 25 2HD1 ILE 25 -5.577 3.276 -6.744 160 H CYS 26 H CYS 26 -2.003 0.233 -2.837 161 HA CYS 26 HA CYS 26 -1.078 0.967 -0.175 162 HB2 CYS 26 2HB CYS 26 0.245 -0.791 -2.255 163 HB3 CYS 26 1HB CYS 26 0.755 -0.591 -0.580 164 H MET 27 H MET 27 0.525 2.410 0.260 165 HA MET 27 HA MET 27 1.960 3.582 -2.030 166 HB2 MET 27 2HB MET 27 0.856 5.159 0.300 167 HB3 MET 27 1HB MET 27 1.731 5.805 -1.079 168 HG2 MET 27 2HG MET 27 -0.119 5.076 -2.538 169 HG3 MET 27 1HG MET 27 -0.991 4.538 -1.113 170 HE1 MET 27 3HE MET 27 -2.773 5.738 -2.228 171 HE2 MET 27 1HE MET 27 -2.356 7.175 -3.161 172 HE3 MET 27 2HE MET 27 -3.248 7.335 -1.648 173 H LYS 28 H LYS 28 4.028 4.238 -1.669 174 HA LYS 28 HA LYS 28 5.202 3.477 0.921 175 HB2 LYS 28 2HB LYS 28 6.189 2.090 -0.721 176 HB3 LYS 28 1HB LYS 28 6.277 3.392 -1.891 177 HG2 LYS 28 2HG LYS 28 8.480 3.107 -1.262 178 HG3 LYS 28 1HG LYS 28 7.964 4.454 -0.253 179 HD2 LYS 28 2HD LYS 28 7.889 1.608 0.716 180 HD3 LYS 28 1HD LYS 28 9.336 2.605 0.853 181 HE2 LYS 28 2HE LYS 28 7.944 4.285 2.090 182 HE3 LYS 28 1HE LYS 28 6.637 3.103 2.095 183 HZ1 LYS 28 3HZ LYS 28 8.363 3.285 4.066 184 HZ2 LYS 28 1HZ LYS 28 9.245 2.221 3.083 185 HZ3 LYS 28 2HZ LYS 28 7.693 1.802 3.605 186 H ASN 29 H ASN 29 5.245 5.283 2.068 187 HA ASN 29 HA ASN 29 5.734 7.379 2.776 188 HB2 ASN 29 2HB ASN 29 7.606 7.527 0.399 189 HB3 ASN 29 1HB ASN 29 7.623 8.581 1.808 190 HD21 ASN 29 1HD2 ASN 29 9.444 6.453 0.492 191 HD22 ASN 29 2HD2 ASN 29 10.019 5.557 1.853 Start of MODEL 6 1 H1 GLY 1 H GLY 1 3.422 6.969 1.069 2 HA2 GLY 1 2HA GLY 1 1.829 8.559 0.363 3 HA3 GLY 1 1HA GLY 1 3.129 9.710 0.100 4 H LEU 2 H LEU 2 4.597 7.436 -1.378 5 HA LEU 2 HA LEU 2 3.410 8.075 -3.954 6 HB2 LEU 2 2HB LEU 2 6.000 6.785 -3.152 7 HB3 LEU 2 1HB LEU 2 5.452 6.811 -4.816 8 HG LEU 2 HG LEU 2 6.931 8.605 -4.650 9 HD11 LEU 2 1HD1 LEU 2 4.353 9.051 -5.331 10 HD12 LEU 2 2HD1 LEU 2 5.664 10.211 -5.542 11 HD13 LEU 2 3HD1 LEU 2 4.617 10.312 -4.127 12 HD21 LEU 2 3HD2 LEU 2 7.443 9.026 -2.474 13 HD22 LEU 2 1HD2 LEU 2 5.758 8.981 -1.954 14 HD23 LEU 2 2HD2 LEU 2 6.386 10.402 -2.789 15 HA PRO 3 HA PRO 3 1.435 4.049 -3.868 16 HB2 PRO 3 2HB PRO 3 -0.224 4.453 -5.940 17 HB3 PRO 3 1HB PRO 3 -0.498 5.215 -4.368 18 HG2 PRO 3 2HG PRO 3 0.680 6.375 -6.859 19 HG3 PRO 3 1HG PRO 3 -0.449 7.108 -5.706 20 HD2 PRO 3 2HD PRO 3 2.265 7.577 -5.738 21 HD3 PRO 3 1HD PRO 3 1.230 7.778 -4.311 22 H THR 4 H THR 4 4.020 4.302 -5.031 23 HA THR 4 HA THR 4 3.907 3.227 -7.709 24 HB THR 4 HB THR 4 6.387 3.170 -7.496 25 HG1 THR 4 1HG THR 4 6.745 2.860 -5.335 26 HG21 THR 4 3HG2 THR 4 4.822 5.652 -6.879 27 HG22 THR 4 1HG2 THR 4 5.602 5.177 -8.389 28 HG23 THR 4 2HG2 THR 4 6.580 5.715 -7.023 29 H CYS 5 H CYS 5 2.829 1.750 -5.307 30 HA CYS 5 HA CYS 5 4.533 -0.597 -5.177 31 HB2 CYS 5 2HB CYS 5 1.863 -0.035 -3.871 32 HB3 CYS 5 1HB CYS 5 2.905 -1.412 -3.532 33 H GLY 6 H GLY 6 1.477 0.435 -6.541 34 HA2 GLY 6 2HA GLY 6 0.163 -0.502 -8.181 35 HA3 GLY 6 1HA GLY 6 1.489 -1.609 -8.512 36 H GLU 7 H GLU 7 -0.173 -1.204 -5.446 37 HA GLU 7 HA GLU 7 -1.430 -3.832 -5.777 38 HB2 GLU 7 2HB GLU 7 0.777 -3.796 -4.388 39 HB3 GLU 7 1HB GLU 7 -0.209 -3.020 -3.156 40 HG2 GLU 7 2HG GLU 7 -1.789 -4.993 -3.400 41 HG3 GLU 7 1HG GLU 7 -0.493 -5.772 -4.305 42 H THR 8 H THR 8 -3.343 -4.111 -4.629 43 HA THR 8 HA THR 8 -4.481 -1.650 -3.481 44 HB THR 8 HB THR 8 -6.033 -3.875 -4.817 45 HG1 THR 8 1HG THR 8 -4.456 -2.111 -5.977 46 HG21 THR 8 3HG2 THR 8 -6.929 -1.036 -4.462 47 HG22 THR 8 1HG2 THR 8 -7.090 -2.190 -3.139 48 HG23 THR 8 2HG2 THR 8 -7.899 -2.492 -4.676 49 H CYS 9 H CYS 9 -4.454 -1.887 -1.331 50 HA CYS 9 HA CYS 9 -4.800 -4.510 -0.143 51 HB2 CYS 9 2HB CYS 9 -4.374 -3.296 2.007 52 HB3 CYS 9 1HB CYS 9 -3.069 -3.207 0.845 53 H THR 10 H THR 10 -7.083 -4.290 -1.216 54 HA THR 10 HA THR 10 -9.071 -2.706 -0.052 55 HB THR 10 HB THR 10 -10.559 -4.755 -0.745 56 HG1 THR 10 1HG THR 10 -9.445 -6.035 -2.334 57 HG21 THR 10 3HG2 THR 10 -9.466 -3.889 -3.238 58 HG22 THR 10 1HG2 THR 10 -9.478 -2.527 -2.116 59 HG23 THR 10 2HG2 THR 10 -10.973 -3.398 -2.463 60 H LEU 11 H LEU 11 -7.652 -5.750 0.911 61 HA LEU 11 HA LEU 11 -9.497 -6.192 3.084 62 HB2 LEU 11 2HB LEU 11 -6.902 -7.571 2.390 63 HB3 LEU 11 1HB LEU 11 -8.032 -8.102 3.620 64 HG LEU 11 HG LEU 11 -8.610 -7.967 0.658 65 HD11 LEU 11 1HD1 LEU 11 -7.006 -9.765 1.727 66 HD12 LEU 11 2HD1 LEU 11 -8.203 -10.207 0.509 67 HD13 LEU 11 3HD1 LEU 11 -8.535 -10.497 2.216 68 HD21 LEU 11 3HD2 LEU 11 -10.757 -8.494 1.077 69 HD22 LEU 11 1HD2 LEU 11 -10.435 -7.755 2.646 70 HD23 LEU 11 2HD2 LEU 11 -10.347 -9.507 2.461 71 H GLY 12 H GLY 12 -6.550 -4.487 2.604 72 HA2 GLY 12 2HA GLY 12 -5.771 -2.900 4.199 73 HA3 GLY 12 1HA GLY 12 -6.461 -3.891 5.477 74 H THR 13 H THR 13 -4.374 -4.878 2.809 75 HA THR 13 HA THR 13 -2.062 -5.163 4.510 76 HB THR 13 HB THR 13 -3.521 -7.577 3.420 77 HG1 THR 13 1HG THR 13 -3.581 -6.439 5.759 78 HG21 THR 13 3HG2 THR 13 -0.677 -7.333 4.389 79 HG22 THR 13 1HG2 THR 13 -1.252 -7.980 2.850 80 HG23 THR 13 2HG2 THR 13 -1.546 -8.868 4.349 81 H CYS 14 H CYS 14 -0.237 -4.963 3.319 82 HA CYS 14 HA CYS 14 -0.478 -5.257 0.399 83 HB2 CYS 14 2HB CYS 14 1.368 -3.366 1.876 84 HB3 CYS 14 1HB CYS 14 1.143 -3.475 0.132 85 H TYR 15 H TYR 15 0.736 -6.837 -0.395 86 HA TYR 15 HA TYR 15 2.666 -8.125 1.319 87 HB2 TYR 15 2HB TYR 15 2.893 -9.783 -0.489 88 HB3 TYR 15 1HB TYR 15 1.221 -9.539 -0.006 89 HD1 TYR 15 2HD TYR 15 3.694 -8.470 -2.584 90 HD2 TYR 15 1HD TYR 15 -0.391 -9.150 -1.617 91 HE1 TYR 15 2HE TYR 15 3.094 -8.089 -4.929 92 HE2 TYR 15 1HE TYR 15 -1.011 -8.785 -3.974 93 HH TYR 15 HH TYR 15 0.560 -7.263 -6.073 94 H VAL 16 H VAL 16 2.736 -5.821 -1.263 95 HA VAL 16 HA VAL 16 5.356 -6.244 -2.194 96 HB VAL 16 HB VAL 16 3.856 -3.615 -2.032 97 HG11 VAL 16 1HG1 VAL 16 6.438 -4.404 -3.324 98 HG12 VAL 16 2HG1 VAL 16 6.048 -2.955 -2.398 99 HG13 VAL 16 3HG1 VAL 16 5.436 -3.141 -4.041 100 HG21 VAL 16 3HG2 VAL 16 3.961 -4.454 -4.667 101 HG22 VAL 16 1HG2 VAL 16 2.560 -4.533 -3.600 102 HG23 VAL 16 2HG2 VAL 16 3.621 -5.931 -3.765 103 HA PRO 17 HA PRO 17 7.811 -5.519 1.365 104 HB2 PRO 17 2HB PRO 17 10.027 -4.598 -0.115 105 HB3 PRO 17 1HB PRO 17 9.719 -6.245 0.432 106 HG2 PRO 17 2HG PRO 17 9.269 -5.019 -2.226 107 HG3 PRO 17 1HG PRO 17 9.641 -6.700 -1.806 108 HD2 PRO 17 2HD PRO 17 7.182 -5.903 -2.587 109 HD3 PRO 17 1HD PRO 17 7.419 -7.221 -1.424 110 H ASP 18 H ASP 18 7.801 -3.941 2.703 111 HA ASP 18 HA ASP 18 7.866 -1.930 3.709 112 HB2 ASP 18 2HB ASP 18 10.071 -1.846 2.420 113 HB3 ASP 18 1HB ASP 18 9.233 -0.795 1.279 114 H CYS 19 H CYS 19 5.798 -2.525 1.371 115 HA CYS 19 HA CYS 19 4.991 0.222 0.881 116 HB2 CYS 19 2HB CYS 19 4.130 -2.419 -0.210 117 HB3 CYS 19 1HB CYS 19 3.047 -1.033 -0.343 118 H SER 20 H SER 20 3.605 1.290 2.020 119 HA SER 20 HA SER 20 2.203 -0.033 4.195 120 HB2 SER 20 2HB SER 20 2.312 2.914 3.509 121 HB3 SER 20 1HB SER 20 1.860 2.193 5.057 122 HG SER 20 HG SER 20 4.211 1.232 4.574 123 H CYS 21 H CYS 21 -0.010 -0.131 4.404 124 HA CYS 21 HA CYS 21 -1.510 0.031 1.976 125 HB2 CYS 21 2HB CYS 21 -2.005 -1.741 3.563 126 HB3 CYS 21 1HB CYS 21 -2.394 -0.557 4.807 127 H SER 22 H SER 22 -2.191 1.874 1.180 128 HA SER 22 HA SER 22 -3.152 3.962 3.023 129 HB2 SER 22 2HB SER 22 -2.060 4.181 0.202 130 HB3 SER 22 1HB SER 22 -2.636 5.535 1.165 131 HG SER 22 HG SER 22 -0.915 4.304 2.679 132 H TRP 23 H TRP 23 -4.694 1.933 2.664 133 HA TRP 23 HA TRP 23 -6.297 1.081 0.922 134 HB2 TRP 23 2HB TRP 23 -6.716 1.014 3.403 135 HB3 TRP 23 1HB TRP 23 -7.620 2.516 3.217 136 HD1 TRP 23 HD TRP 23 -7.877 -1.220 2.626 137 HE1 TRP 23 1HE TRP 23 -10.258 -1.796 1.832 138 HE3 TRP 23 3HE TRP 23 -9.631 3.515 1.858 139 HZ2 TRP 23 2HZ TRP 23 -12.572 -0.404 0.961 140 HZ3 TRP 23 3HZ TRP 23 -11.923 3.811 1.031 141 HH2 TRP 23 HH TRP 23 -13.352 1.898 0.584 142 HA PRO 24 HA PRO 24 -7.717 0.429 -0.120 143 HB2 PRO 24 2HB PRO 24 -8.389 0.205 -2.690 144 HB3 PRO 24 1HB PRO 24 -9.577 0.653 -1.459 145 HG2 PRO 24 2HG PRO 24 -8.103 2.404 -3.393 146 HG3 PRO 24 1HG PRO 24 -9.813 2.445 -2.926 147 HD2 PRO 24 2HD PRO 24 -7.901 4.114 -1.877 148 HD3 PRO 24 1HD PRO 24 -9.403 3.656 -1.036 149 H ILE 25 H ILE 25 -5.774 2.707 -1.919 150 HA ILE 25 HA ILE 25 -4.220 0.577 -3.158 151 HB ILE 25 HB ILE 25 -3.779 3.552 -3.355 152 HG12 ILE 25 2HG1 ILE 25 -5.352 1.684 -5.141 153 HG13 ILE 25 1HG1 ILE 25 -6.007 2.998 -4.170 154 HG21 ILE 25 1HG2 ILE 25 -1.921 1.874 -3.951 155 HG22 ILE 25 2HG2 ILE 25 -2.324 3.132 -5.119 156 HG23 ILE 25 3HG2 ILE 25 -2.923 1.490 -5.349 157 HD11 ILE 25 3HD1 ILE 25 -3.930 3.604 -6.206 158 HD12 ILE 25 1HD1 ILE 25 -5.246 4.611 -5.601 159 HD13 ILE 25 2HD1 ILE 25 -5.588 3.296 -6.727 160 H CYS 26 H CYS 26 -2.014 0.233 -2.835 161 HA CYS 26 HA CYS 26 -1.076 0.955 -0.174 162 HB2 CYS 26 2HB CYS 26 0.231 -0.796 -2.270 163 HB3 CYS 26 1HB CYS 26 0.758 -0.600 -0.600 164 H MET 27 H MET 27 0.527 2.395 0.262 165 HA MET 27 HA MET 27 1.978 3.559 -2.020 166 HB2 MET 27 2HB MET 27 0.825 5.168 0.265 167 HB3 MET 27 1HB MET 27 1.711 5.795 -1.115 168 HG2 MET 27 2HG MET 27 -0.112 5.025 -2.584 169 HG3 MET 27 1HG MET 27 -0.998 4.500 -1.163 170 HE1 MET 27 3HE MET 27 -2.297 6.248 -3.230 171 HE2 MET 27 1HE MET 27 -2.938 7.677 -2.418 172 HE3 MET 27 2HE MET 27 -3.184 6.079 -1.715 173 H LYS 28 H LYS 28 4.037 4.229 -1.629 174 HA LYS 28 HA LYS 28 5.173 3.491 0.984 175 HB2 LYS 28 2HB LYS 28 6.209 2.130 -0.650 176 HB3 LYS 28 1HB LYS 28 6.301 3.443 -1.808 177 HG2 LYS 28 2HG LYS 28 8.494 3.195 -1.143 178 HG3 LYS 28 1HG LYS 28 7.937 4.513 -0.118 179 HD2 LYS 28 2HD LYS 28 7.904 1.646 0.792 180 HD3 LYS 28 1HD LYS 28 9.321 2.675 0.982 181 HE2 LYS 28 2HE LYS 28 7.871 4.291 2.229 182 HE3 LYS 28 1HE LYS 28 6.583 3.088 2.168 183 HZ1 LYS 28 3HZ LYS 28 9.179 2.220 3.201 184 HZ2 LYS 28 1HZ LYS 28 7.619 1.766 3.674 185 HZ3 LYS 28 2HZ LYS 28 8.257 3.246 4.187 186 H ASN 29 H ASN 29 5.154 5.297 2.138 187 HA ASN 29 HA ASN 29 5.590 7.399 2.864 188 HB2 ASN 29 2HB ASN 29 7.545 7.572 0.556 189 HB3 ASN 29 1HB ASN 29 7.505 8.614 1.973 190 HD21 ASN 29 1HD2 ASN 29 9.382 6.505 0.703 191 HD22 ASN 29 2HD2 ASN 29 9.916 5.603 2.077 Start of MODEL 7 1 H1 GLY 1 H GLY 1 2.771 6.953 1.340 2 HA2 GLY 1 2HA GLY 1 1.234 8.553 0.508 3 HA3 GLY 1 1HA GLY 1 2.519 9.749 0.512 4 H LEU 2 H LEU 2 4.185 7.455 -0.845 5 HA LEU 2 HA LEU 2 3.422 8.280 -3.538 6 HB2 LEU 2 2HB LEU 2 5.871 6.914 -2.452 7 HB3 LEU 2 1HB LEU 2 5.580 7.113 -4.168 8 HG LEU 2 HG LEU 2 7.005 8.864 -3.631 9 HD11 LEU 2 1HD1 LEU 2 4.488 9.431 -4.517 10 HD12 LEU 2 2HD1 LEU 2 5.858 10.541 -4.531 11 HD13 LEU 2 3HD1 LEU 2 4.701 10.585 -3.201 12 HD21 LEU 2 3HD2 LEU 2 5.341 9.670 -1.266 13 HD22 LEU 2 1HD2 LEU 2 6.965 10.206 -1.696 14 HD23 LEU 2 2HD2 LEU 2 6.701 8.554 -1.139 15 HA PRO 3 HA PRO 3 1.432 4.287 -3.979 16 HB2 PRO 3 2HB PRO 3 0.380 4.711 -6.426 17 HB3 PRO 3 1HB PRO 3 -0.296 5.445 -4.967 18 HG2 PRO 3 2HG PRO 3 1.515 6.641 -7.027 19 HG3 PRO 3 1HG PRO 3 0.102 7.355 -6.229 20 HD2 PRO 3 2HD PRO 3 2.673 7.883 -5.484 21 HD3 PRO 3 1HD PRO 3 1.299 7.946 -4.364 22 H THR 4 H THR 4 4.245 4.523 -4.504 23 HA THR 4 HA THR 4 4.778 3.365 -7.090 24 HB THR 4 HB THR 4 7.118 3.292 -6.305 25 HG1 THR 4 1HG THR 4 6.572 2.893 -4.058 26 HG21 THR 4 3HG2 THR 4 7.240 5.824 -5.709 27 HG22 THR 4 1HG2 THR 4 5.500 5.796 -6.009 28 HG23 THR 4 2HG2 THR 4 6.625 5.341 -7.290 29 H CYS 5 H CYS 5 3.006 1.721 -6.022 30 HA CYS 5 HA CYS 5 4.571 -0.680 -5.411 31 HB2 CYS 5 2HB CYS 5 2.031 0.043 -3.931 32 HB3 CYS 5 1HB CYS 5 3.059 -1.357 -3.649 33 H GLY 6 H GLY 6 1.429 0.699 -6.290 34 HA2 GLY 6 2HA GLY 6 -0.105 0.041 -7.868 35 HA3 GLY 6 1HA GLY 6 1.109 -1.066 -8.491 36 H GLU 7 H GLU 7 -0.134 -1.057 -5.207 37 HA GLU 7 HA GLU 7 -1.456 -3.625 -5.765 38 HB2 GLU 7 2HB GLU 7 0.716 -3.646 -4.344 39 HB3 GLU 7 1HB GLU 7 -0.285 -2.939 -3.083 40 HG2 GLU 7 2HG GLU 7 -1.854 -4.910 -3.458 41 HG3 GLU 7 1HG GLU 7 -0.531 -5.633 -4.369 42 H THR 8 H THR 8 -3.377 -4.035 -4.621 43 HA THR 8 HA THR 8 -4.603 -1.635 -3.433 44 HB THR 8 HB THR 8 -6.079 -3.904 -4.777 45 HG1 THR 8 1HG THR 8 -4.540 -2.156 -5.957 46 HG21 THR 8 3HG2 THR 8 -7.568 -2.725 -3.388 47 HG22 THR 8 1HG2 THR 8 -7.810 -2.025 -4.989 48 HG23 THR 8 2HG2 THR 8 -6.843 -1.168 -3.789 49 H CYS 9 H CYS 9 -4.546 -1.887 -1.285 50 HA CYS 9 HA CYS 9 -4.848 -4.523 -0.108 51 HB2 CYS 9 2HB CYS 9 -4.445 -3.303 2.050 52 HB3 CYS 9 1HB CYS 9 -3.135 -3.214 0.892 53 H THR 10 H THR 10 -7.133 -4.328 -1.179 54 HA THR 10 HA THR 10 -9.141 -2.768 -0.031 55 HB THR 10 HB THR 10 -10.603 -4.838 -0.707 56 HG1 THR 10 1HG THR 10 -9.459 -6.114 -2.291 57 HG21 THR 10 3HG2 THR 10 -9.200 -2.821 -2.347 58 HG22 THR 10 1HG2 THR 10 -10.926 -3.140 -2.174 59 HG23 THR 10 2HG2 THR 10 -9.941 -4.157 -3.227 60 H LEU 11 H LEU 11 -7.706 -5.798 0.967 61 HA LEU 11 HA LEU 11 -9.552 -6.201 3.151 62 HB2 LEU 11 2HB LEU 11 -6.988 -7.632 2.445 63 HB3 LEU 11 1HB LEU 11 -8.115 -8.133 3.691 64 HG LEU 11 HG LEU 11 -8.718 -8.011 0.734 65 HD11 LEU 11 1HD1 LEU 11 -8.072 -10.289 2.587 66 HD12 LEU 11 2HD1 LEU 11 -7.241 -9.820 1.104 67 HD13 LEU 11 3HD1 LEU 11 -8.861 -10.510 1.026 68 HD21 LEU 11 3HD2 LEU 11 -10.869 -8.570 1.171 69 HD22 LEU 11 1HD2 LEU 11 -10.540 -7.706 2.672 70 HD23 LEU 11 2HD2 LEU 11 -10.455 -9.466 2.632 71 H GLY 12 H GLY 12 -6.633 -4.490 2.634 72 HA2 GLY 12 2HA GLY 12 -5.802 -2.926 4.216 73 HA3 GLY 12 1HA GLY 12 -6.488 -3.907 5.505 74 H THR 13 H THR 13 -4.451 -4.918 2.811 75 HA THR 13 HA THR 13 -2.125 -5.247 4.487 76 HB THR 13 HB THR 13 -3.623 -7.628 3.375 77 HG1 THR 13 1HG THR 13 -3.656 -6.508 5.733 78 HG21 THR 13 3HG2 THR 13 -1.356 -8.054 2.812 79 HG22 THR 13 1HG2 THR 13 -1.672 -8.954 4.299 80 HG23 THR 13 2HG2 THR 13 -0.782 -7.433 4.361 81 H CYS 14 H CYS 14 -0.302 -5.084 3.280 82 HA CYS 14 HA CYS 14 -0.582 -5.309 0.359 83 HB2 CYS 14 2HB CYS 14 1.339 -3.503 1.842 84 HB3 CYS 14 1HB CYS 14 1.060 -3.554 0.104 85 H TYR 15 H TYR 15 0.558 -6.923 -0.464 86 HA TYR 15 HA TYR 15 2.503 -8.277 1.184 87 HB2 TYR 15 2HB TYR 15 2.633 -9.919 -0.651 88 HB3 TYR 15 1HB TYR 15 0.982 -9.637 -0.119 89 HD1 TYR 15 2HD TYR 15 3.415 -8.628 -2.755 90 HD2 TYR 15 1HD TYR 15 -0.665 -9.154 -1.676 91 HE1 TYR 15 2HE TYR 15 2.763 -8.192 -5.076 92 HE2 TYR 15 1HE TYR 15 -1.337 -8.733 -4.009 93 HH TYR 15 HH TYR 15 0.169 -7.253 -6.115 94 H VAL 16 H VAL 16 2.542 -5.958 -1.386 95 HA VAL 16 HA VAL 16 5.151 -6.436 -2.361 96 HB VAL 16 HB VAL 16 3.591 -3.841 -2.281 97 HG11 VAL 16 1HG1 VAL 16 5.271 -3.519 -4.346 98 HG12 VAL 16 2HG1 VAL 16 6.294 -4.492 -3.288 99 HG13 VAL 16 3HG1 VAL 16 5.635 -2.960 -2.713 100 HG21 VAL 16 3HG2 VAL 16 4.085 -5.372 -4.775 101 HG22 VAL 16 1HG2 VAL 16 2.702 -4.382 -4.309 102 HG23 VAL 16 2HG2 VAL 16 2.886 -6.006 -3.647 103 HA PRO 17 HA PRO 17 7.481 -5.337 1.232 104 HB2 PRO 17 2HB PRO 17 9.911 -5.140 -0.050 105 HB3 PRO 17 1HB PRO 17 9.190 -6.653 0.508 106 HG2 PRO 17 2HG PRO 17 9.243 -5.472 -2.229 107 HG3 PRO 17 1HG PRO 17 9.380 -7.168 -1.732 108 HD2 PRO 17 2HD PRO 17 7.102 -6.115 -2.752 109 HD3 PRO 17 1HD PRO 17 7.095 -7.430 -1.561 110 H ASP 18 H ASP 18 8.017 -3.526 2.198 111 HA ASP 18 HA ASP 18 8.415 -1.341 2.636 112 HB2 ASP 18 2HB ASP 18 10.357 -1.797 0.995 113 HB3 ASP 18 1HB ASP 18 9.368 -0.950 -0.191 114 H CYS 19 H CYS 19 5.870 -1.998 1.990 115 HA CYS 19 HA CYS 19 4.932 0.487 0.795 116 HB2 CYS 19 2HB CYS 19 4.158 -2.267 -0.153 117 HB3 CYS 19 1HB CYS 19 3.133 -0.862 -0.426 118 H SER 20 H SER 20 3.410 1.386 1.974 119 HA SER 20 HA SER 20 2.177 -0.189 4.112 120 HB2 SER 20 2HB SER 20 2.235 2.817 3.743 121 HB3 SER 20 1HB SER 20 1.759 1.938 5.198 122 HG SER 20 HG SER 20 4.206 1.154 4.435 123 H CYS 21 H CYS 21 -0.066 -0.241 4.399 124 HA CYS 21 HA CYS 21 -1.589 -0.025 2.003 125 HB2 CYS 21 2HB CYS 21 -2.106 -1.759 3.639 126 HB3 CYS 21 1HB CYS 21 -2.486 -0.536 4.847 127 H SER 22 H SER 22 -2.399 1.753 1.193 128 HA SER 22 HA SER 22 -3.223 3.921 3.007 129 HB2 SER 22 2HB SER 22 -2.083 4.034 0.199 130 HB3 SER 22 1HB SER 22 -2.702 5.431 1.067 131 HG SER 22 HG SER 22 -0.978 4.162 2.642 132 H TRP 23 H TRP 23 -4.785 1.864 2.615 133 HA TRP 23 HA TRP 23 -6.407 1.060 0.884 134 HB2 TRP 23 2HB TRP 23 -6.828 0.988 3.367 135 HB3 TRP 23 1HB TRP 23 -7.726 2.493 3.179 136 HD1 TRP 23 HD TRP 23 -7.988 -1.241 2.567 137 HE1 TRP 23 1HE TRP 23 -10.368 -1.807 1.763 138 HE3 TRP 23 3HE TRP 23 -9.729 3.503 1.818 139 HZ2 TRP 23 2HZ TRP 23 -12.674 -0.406 0.891 140 HZ3 TRP 23 3HZ TRP 23 -12.017 3.808 0.984 141 HH2 TRP 23 HH TRP 23 -13.448 1.899 0.522 142 HA PRO 24 HA PRO 24 -7.846 0.428 -0.161 143 HB2 PRO 24 2HB PRO 24 -8.465 0.230 -2.751 144 HB3 PRO 24 1HB PRO 24 -9.672 0.669 -1.538 145 HG2 PRO 24 2HG PRO 24 -8.156 2.437 -3.423 146 HG3 PRO 24 1HG PRO 24 -9.874 2.480 -2.986 147 HD2 PRO 24 2HD PRO 24 -7.980 4.131 -1.886 148 HD3 PRO 24 1HD PRO 24 -9.490 3.659 -1.068 149 H ILE 25 H ILE 25 -5.891 2.676 -2.018 150 HA ILE 25 HA ILE 25 -4.301 0.529 -3.168 151 HB ILE 25 HB ILE 25 -3.864 3.503 -3.391 152 HG12 ILE 25 2HG1 ILE 25 -5.373 1.601 -5.196 153 HG13 ILE 25 1HG1 ILE 25 -6.066 2.919 -4.256 154 HG21 ILE 25 1HG2 ILE 25 -2.082 1.592 -3.982 155 HG22 ILE 25 2HG2 ILE 25 -2.215 3.102 -4.884 156 HG23 ILE 25 3HG2 ILE 25 -2.980 1.637 -5.499 157 HD11 ILE 25 3HD1 ILE 25 -3.945 3.519 -6.250 158 HD12 ILE 25 1HD1 ILE 25 -5.275 4.527 -5.680 159 HD13 ILE 25 2HD1 ILE 25 -5.591 3.201 -6.800 160 H CYS 26 H CYS 26 -2.094 0.197 -2.798 161 HA CYS 26 HA CYS 26 -1.220 0.937 -0.120 162 HB2 CYS 26 2HB CYS 26 0.127 -0.814 -2.191 163 HB3 CYS 26 1HB CYS 26 0.652 -0.598 -0.523 164 H MET 27 H MET 27 0.263 2.480 0.330 165 HA MET 27 HA MET 27 1.867 3.545 -1.888 166 HB2 MET 27 2HB MET 27 0.456 5.284 0.145 167 HB3 MET 27 1HB MET 27 1.468 5.835 -1.182 168 HG2 MET 27 2HG MET 27 -0.235 4.677 -2.697 169 HG3 MET 27 1HG MET 27 -1.271 4.643 -1.282 170 HE1 MET 27 3HE MET 27 -0.426 7.440 0.137 171 HE2 MET 27 1HE MET 27 -2.071 6.819 0.006 172 HE3 MET 27 2HE MET 27 -1.706 8.466 -0.511 173 H LYS 28 H LYS 28 3.860 4.256 -1.379 174 HA LYS 28 HA LYS 28 4.863 3.560 1.284 175 HB2 LYS 28 2HB LYS 28 6.171 2.527 -0.383 176 HB3 LYS 28 1HB LYS 28 6.161 3.964 -1.399 177 HG2 LYS 28 2HG LYS 28 7.903 4.902 -0.321 178 HG3 LYS 28 1HG LYS 28 7.416 4.263 1.251 179 HD2 LYS 28 2HD LYS 28 9.535 3.298 0.377 180 HD3 LYS 28 1HD LYS 28 8.277 2.107 0.716 181 HE2 LYS 28 2HE LYS 28 7.686 2.094 -1.677 182 HE3 LYS 28 1HE LYS 28 9.013 3.213 -1.994 183 HZ1 LYS 28 3HZ LYS 28 10.248 1.244 -0.641 184 HZ2 LYS 28 1HZ LYS 28 10.168 1.340 -2.334 185 HZ3 LYS 28 2HZ LYS 28 9.068 0.372 -1.491 186 H ASN 29 H ASN 29 4.494 5.241 2.602 187 HA ASN 29 HA ASN 29 4.550 7.319 3.515 188 HB2 ASN 29 2HB ASN 29 6.930 7.600 1.666 189 HB3 ASN 29 1HB ASN 29 6.518 8.749 2.935 190 HD21 ASN 29 1HD2 ASN 29 8.484 6.275 2.220 191 HD22 ASN 29 2HD2 ASN 29 8.781 5.650 3.801 Start of MODEL 8 1 H1 GLY 1 H GLY 1 3.255 6.798 1.146 2 HA2 GLY 1 2HA GLY 1 1.680 8.448 0.491 3 HA3 GLY 1 1HA GLY 1 2.997 9.595 0.316 4 H LEU 2 H LEU 2 4.508 7.386 -1.208 5 HA LEU 2 HA LEU 2 3.400 8.128 -3.794 6 HB2 LEU 2 2HB LEU 2 5.945 6.727 -3.009 7 HB3 LEU 2 1HB LEU 2 5.455 6.969 -4.674 8 HG LEU 2 HG LEU 2 6.951 8.693 -4.293 9 HD11 LEU 2 1HD1 LEU 2 5.737 10.684 -4.527 10 HD12 LEU 2 2HD1 LEU 2 4.387 10.066 -3.575 11 HD13 LEU 2 3HD1 LEU 2 4.703 9.415 -5.182 12 HD21 LEU 2 3HD2 LEU 2 7.128 10.031 -2.326 13 HD22 LEU 2 1HD2 LEU 2 7.069 8.340 -1.826 14 HD23 LEU 2 2HD2 LEU 2 5.636 9.357 -1.670 15 HA PRO 3 HA PRO 3 1.381 4.109 -3.884 16 HB2 PRO 3 2HB PRO 3 -0.151 4.566 -6.052 17 HB3 PRO 3 1HB PRO 3 -0.526 5.265 -4.472 18 HG2 PRO 3 2HG PRO 3 0.801 6.527 -6.836 19 HG3 PRO 3 1HG PRO 3 -0.414 7.205 -5.739 20 HD2 PRO 3 2HD PRO 3 2.269 7.732 -5.556 21 HD3 PRO 3 1HD PRO 3 1.152 7.804 -4.179 22 H THR 4 H THR 4 4.034 4.452 -4.976 23 HA THR 4 HA THR 4 3.982 3.288 -7.629 24 HB THR 4 HB THR 4 6.445 3.421 -7.472 25 HG1 THR 4 1HG THR 4 6.691 3.089 -5.232 26 HG21 THR 4 3HG2 THR 4 4.742 5.804 -6.842 27 HG22 THR 4 1HG2 THR 4 5.555 5.381 -8.352 28 HG23 THR 4 2HG2 THR 4 6.493 5.984 -6.985 29 H CYS 5 H CYS 5 2.747 1.684 -5.699 30 HA CYS 5 HA CYS 5 4.670 -0.505 -5.307 31 HB2 CYS 5 2HB CYS 5 2.024 0.007 -3.933 32 HB3 CYS 5 1HB CYS 5 3.074 -1.372 -3.627 33 H GLY 6 H GLY 6 1.549 0.357 -6.646 34 HA2 GLY 6 2HA GLY 6 0.317 -0.661 -8.304 35 HA3 GLY 6 1HA GLY 6 1.652 -1.783 -8.527 36 H GLU 7 H GLU 7 -0.230 -1.163 -5.607 37 HA GLU 7 HA GLU 7 -1.521 -3.765 -5.844 38 HB2 GLU 7 2HB GLU 7 0.706 -3.876 -4.502 39 HB3 GLU 7 1HB GLU 7 -0.190 -3.021 -3.256 40 HG2 GLU 7 2HG GLU 7 -1.928 -4.897 -3.517 41 HG3 GLU 7 1HG GLU 7 -0.634 -5.775 -4.330 42 H THR 8 H THR 8 -3.423 -3.926 -4.671 43 HA THR 8 HA THR 8 -4.353 -1.432 -3.416 44 HB THR 8 HB THR 8 -6.672 -2.218 -4.110 45 HG1 THR 8 1HG THR 8 -5.829 -4.395 -4.660 46 HG21 THR 8 3HG2 THR 8 -6.585 -0.989 -6.049 47 HG22 THR 8 1HG2 THR 8 -5.075 -1.731 -6.580 48 HG23 THR 8 2HG2 THR 8 -5.057 -0.507 -5.310 49 H CYS 9 H CYS 9 -4.441 -1.744 -1.285 50 HA CYS 9 HA CYS 9 -4.877 -4.405 -0.225 51 HB2 CYS 9 2HB CYS 9 -4.471 -3.305 1.986 52 HB3 CYS 9 1HB CYS 9 -3.141 -3.176 0.852 53 H THR 10 H THR 10 -7.131 -4.101 -1.330 54 HA THR 10 HA THR 10 -9.110 -2.523 -0.142 55 HB THR 10 HB THR 10 -10.642 -4.456 -0.977 56 HG1 THR 10 1HG THR 10 -9.562 -5.808 -2.495 57 HG21 THR 10 3HG2 THR 10 -9.998 -2.217 -2.104 58 HG22 THR 10 1HG2 THR 10 -10.691 -3.495 -3.103 59 HG23 THR 10 2HG2 THR 10 -8.950 -3.209 -3.117 60 H LEU 11 H LEU 11 -7.746 -5.608 0.740 61 HA LEU 11 HA LEU 11 -9.663 -6.150 2.820 62 HB2 LEU 11 2HB LEU 11 -7.011 -7.456 2.198 63 HB3 LEU 11 1HB LEU 11 -8.186 -8.051 3.356 64 HG LEU 11 HG LEU 11 -8.632 -7.823 0.377 65 HD11 LEU 11 1HD1 LEU 11 -7.787 -9.862 0.162 66 HD12 LEU 11 2HD1 LEU 11 -8.785 -10.472 1.482 67 HD13 LEU 11 3HD1 LEU 11 -7.215 -9.747 1.827 68 HD21 LEU 11 3HD2 LEU 11 -10.383 -8.626 2.664 69 HD22 LEU 11 1HD2 LEU 11 -10.616 -9.347 1.071 70 HD23 LEU 11 2HD2 LEU 11 -10.752 -7.601 1.277 71 H GLY 12 H GLY 12 -6.687 -4.427 2.528 72 HA2 GLY 12 2HA GLY 12 -6.019 -2.860 4.199 73 HA3 GLY 12 1HA GLY 12 -6.755 -3.893 5.416 74 H THR 13 H THR 13 -4.571 -4.867 2.834 75 HA THR 13 HA THR 13 -2.289 -5.082 4.574 76 HB THR 13 HB THR 13 -3.735 -7.556 3.606 77 HG1 THR 13 1HG THR 13 -3.815 -6.318 5.879 78 HG21 THR 13 3HG2 THR 13 -0.882 -7.247 4.522 79 HG22 THR 13 1HG2 THR 13 -1.481 -8.001 3.042 80 HG23 THR 13 2HG2 THR 13 -1.742 -8.784 4.604 81 H CYS 14 H CYS 14 -0.477 -4.849 3.375 82 HA CYS 14 HA CYS 14 -0.712 -5.246 0.468 83 HB2 CYS 14 2HB CYS 14 1.216 -3.441 1.948 84 HB3 CYS 14 1HB CYS 14 1.033 -3.569 0.201 85 H TYR 15 H TYR 15 0.403 -6.902 -0.314 86 HA TYR 15 HA TYR 15 2.283 -8.270 1.394 87 HB2 TYR 15 2HB TYR 15 2.403 -9.951 -0.410 88 HB3 TYR 15 1HB TYR 15 0.754 -9.627 0.101 89 HD1 TYR 15 1HD TYR 15 3.232 -8.728 -2.530 90 HD2 TYR 15 2HD TYR 15 -0.869 -9.119 -1.473 91 HE1 TYR 15 1HE TYR 15 2.610 -8.303 -4.862 92 HE2 TYR 15 2HE TYR 15 -1.513 -8.701 -3.814 93 HH TYR 15 HH TYR 15 0.018 -7.297 -5.918 94 H VAL 16 H VAL 16 2.406 -6.020 -1.237 95 HA VAL 16 HA VAL 16 5.019 -6.561 -2.158 96 HB VAL 16 HB VAL 16 3.501 -3.939 -2.150 97 HG11 VAL 16 1HG1 VAL 16 6.252 -4.524 -2.834 98 HG12 VAL 16 2HG1 VAL 16 5.426 -2.969 -2.717 99 HG13 VAL 16 3HG1 VAL 16 5.356 -3.896 -4.218 100 HG21 VAL 16 3HG2 VAL 16 2.439 -5.687 -3.478 101 HG22 VAL 16 1HG2 VAL 16 3.957 -5.983 -4.324 102 HG23 VAL 16 2HG2 VAL 16 3.123 -4.442 -4.523 103 HA PRO 17 HA PRO 17 7.283 -5.428 1.472 104 HB2 PRO 17 2HB PRO 17 9.754 -5.399 0.259 105 HB3 PRO 17 1HB PRO 17 8.947 -6.854 0.850 106 HG2 PRO 17 2HG PRO 17 9.135 -5.783 -1.927 107 HG3 PRO 17 1HG PRO 17 9.181 -7.464 -1.363 108 HD2 PRO 17 2HD PRO 17 6.983 -6.348 -2.490 109 HD3 PRO 17 1HD PRO 17 6.883 -7.618 -1.257 110 H ASP 18 H ASP 18 7.891 -3.592 2.368 111 HA ASP 18 HA ASP 18 8.404 -1.409 2.699 112 HB2 ASP 18 2HB ASP 18 10.332 -2.002 1.129 113 HB3 ASP 18 1HB ASP 18 9.374 -1.274 -0.153 114 H CYS 19 H CYS 19 5.823 -1.994 2.084 115 HA CYS 19 HA CYS 19 4.982 0.482 0.812 116 HB2 CYS 19 2HB CYS 19 4.178 -2.260 -0.124 117 HB3 CYS 19 1HB CYS 19 3.136 -0.863 -0.382 118 H SER 20 H SER 20 3.401 1.440 1.876 119 HA SER 20 HA SER 20 2.176 0.006 4.112 120 HB2 SER 20 2HB SER 20 2.186 2.970 3.476 121 HB3 SER 20 1HB SER 20 1.657 2.223 4.986 122 HG SER 20 HG SER 20 4.137 1.399 4.402 123 H CYS 21 H CYS 21 -0.073 0.015 4.451 124 HA CYS 21 HA CYS 21 -1.595 -0.003 2.016 125 HB2 CYS 21 2HB CYS 21 -2.012 -1.741 3.656 126 HB3 CYS 21 1HB CYS 21 -2.419 -0.537 4.875 127 H SER 22 H SER 22 -2.094 1.914 1.194 128 HA SER 22 HA SER 22 -3.211 3.975 2.976 129 HB2 SER 22 2HB SER 22 -2.082 4.137 0.168 130 HB3 SER 22 1HB SER 22 -2.784 5.501 1.026 131 HG SER 22 HG SER 22 -0.874 5.764 1.837 132 H TRP 23 H TRP 23 -4.766 1.958 2.706 133 HA TRP 23 HA TRP 23 -6.354 1.063 0.929 134 HB2 TRP 23 2HB TRP 23 -6.758 0.958 3.404 135 HB3 TRP 23 1HB TRP 23 -7.640 2.477 3.264 136 HD1 TRP 23 HD TRP 23 -7.973 -1.243 2.620 137 HE1 TRP 23 1HE TRP 23 -10.378 -1.764 1.853 138 HE3 TRP 23 3HE TRP 23 -9.658 3.535 1.968 139 HZ2 TRP 23 2HZ TRP 23 -12.681 -0.316 1.045 140 HZ3 TRP 23 3HZ TRP 23 -11.958 3.886 1.185 141 HH2 TRP 23 HH TRP 23 -13.428 2.007 0.728 142 HA PRO 24 HA PRO 24 -7.791 0.418 -0.110 143 HB2 PRO 24 2HB PRO 24 -8.610 0.219 -2.626 144 HB3 PRO 24 1HB PRO 24 -9.725 0.687 -1.335 145 HG2 PRO 24 2HG PRO 24 -8.332 2.409 -3.350 146 HG3 PRO 24 1HG PRO 24 -10.014 2.481 -2.791 147 HD2 PRO 24 2HD PRO 24 -7.998 4.107 -1.851 148 HD3 PRO 24 1HD PRO 24 -9.479 3.709 -0.946 149 H ILE 25 H ILE 25 -5.673 2.647 -1.479 150 HA ILE 25 HA ILE 25 -4.350 0.545 -3.058 151 HB ILE 25 HB ILE 25 -3.890 3.520 -3.234 152 HG12 ILE 25 2HG1 ILE 25 -5.542 1.682 -4.980 153 HG13 ILE 25 1HG1 ILE 25 -6.148 2.996 -3.976 154 HG21 ILE 25 1HG2 ILE 25 -2.499 3.124 -5.048 155 HG22 ILE 25 2HG2 ILE 25 -3.120 1.492 -5.292 156 HG23 ILE 25 3HG2 ILE 25 -2.067 1.839 -3.920 157 HD11 ILE 25 3HD1 ILE 25 -5.466 4.605 -5.434 158 HD12 ILE 25 1HD1 ILE 25 -5.789 3.286 -6.560 159 HD13 ILE 25 2HD1 ILE 25 -4.133 3.629 -6.056 160 H CYS 26 H CYS 26 -2.130 0.155 -2.826 161 HA CYS 26 HA CYS 26 -1.089 0.865 -0.205 162 HB2 CYS 26 2HB CYS 26 0.128 -0.897 -2.344 163 HB3 CYS 26 1HB CYS 26 0.715 -0.698 -0.692 164 H MET 27 H MET 27 0.463 2.325 0.198 165 HA MET 27 HA MET 27 1.916 3.485 -2.083 166 HB2 MET 27 2HB MET 27 0.728 5.094 0.185 167 HB3 MET 27 1HB MET 27 1.607 5.723 -1.200 168 HG2 MET 27 2HG MET 27 -0.196 4.947 -2.670 169 HG3 MET 27 1HG MET 27 -1.074 4.364 -1.266 170 HE1 MET 27 3HE MET 27 -2.908 5.508 -2.374 171 HE2 MET 27 1HE MET 27 -2.472 6.908 -3.353 172 HE3 MET 27 2HE MET 27 -3.415 7.123 -1.878 173 H LYS 28 H LYS 28 3.966 4.185 -1.667 174 HA LYS 28 HA LYS 28 5.111 3.373 0.913 175 HB2 LYS 28 2HB LYS 28 6.317 2.230 -0.714 176 HB3 LYS 28 1HB LYS 28 6.189 3.544 -1.875 177 HG2 LYS 28 2HG LYS 28 8.075 4.518 -1.158 178 HG3 LYS 28 1HG LYS 28 7.707 4.209 0.540 179 HD2 LYS 28 2HD LYS 28 9.726 3.022 -0.255 180 HD3 LYS 28 1HD LYS 28 8.467 1.939 0.342 181 HE2 LYS 28 2HE LYS 28 7.749 1.562 -1.999 182 HE3 LYS 28 1HE LYS 28 9.106 2.549 -2.544 183 HZ1 LYS 28 3HZ LYS 28 10.253 0.736 -0.867 184 HZ2 LYS 28 1HZ LYS 28 10.238 0.645 -2.561 185 HZ3 LYS 28 2HZ LYS 28 9.066 -0.176 -1.663 186 H ASN 29 H ASN 29 5.045 5.057 2.245 187 HA ASN 29 HA ASN 29 5.281 7.138 3.117 188 HB2 ASN 29 2HB ASN 29 7.435 7.311 0.997 189 HB3 ASN 29 1HB ASN 29 7.216 8.490 2.287 190 HD21 ASN 29 1HD2 ASN 29 8.996 5.936 1.388 191 HD22 ASN 29 2HD2 ASN 29 9.451 5.317 2.934 Start of MODEL 9 1 H1 GLY 1 H GLY 1 3.363 6.929 1.070 2 HA2 GLY 1 2HA GLY 1 1.757 8.497 0.355 3 HA3 GLY 1 1HA GLY 1 3.036 9.682 0.155 4 H LEU 2 H LEU 2 4.501 7.326 -1.325 5 HA LEU 2 HA LEU 2 3.421 8.084 -3.923 6 HB2 LEU 2 2HB LEU 2 5.967 6.735 -3.079 7 HB3 LEU 2 1HB LEU 2 5.467 6.804 -4.758 8 HG LEU 2 HG LEU 2 6.967 8.572 -4.514 9 HD11 LEU 2 1HD1 LEU 2 5.688 10.561 -4.899 10 HD12 LEU 2 2HD1 LEU 2 4.276 9.847 -4.120 11 HD13 LEU 2 3HD1 LEU 2 4.868 9.189 -5.645 12 HD21 LEU 2 3HD2 LEU 2 5.534 9.480 -2.029 13 HD22 LEU 2 1HD2 LEU 2 7.007 10.163 -2.718 14 HD23 LEU 2 2HD2 LEU 2 7.024 8.536 -2.038 15 HA PRO 3 HA PRO 3 1.373 4.094 -4.010 16 HB2 PRO 3 2HB PRO 3 -0.173 4.565 -6.154 17 HB3 PRO 3 1HB PRO 3 -0.511 5.306 -4.586 18 HG2 PRO 3 2HG PRO 3 0.817 6.484 -6.992 19 HG3 PRO 3 1HG PRO 3 -0.360 7.219 -5.890 20 HD2 PRO 3 2HD PRO 3 2.355 7.646 -5.765 21 HD3 PRO 3 1HD PRO 3 1.252 7.826 -4.388 22 H THR 4 H THR 4 4.019 4.343 -5.063 23 HA THR 4 HA THR 4 3.986 3.269 -7.749 24 HB THR 4 HB THR 4 6.457 3.254 -7.485 25 HG1 THR 4 1HG THR 4 6.783 2.937 -5.323 26 HG21 THR 4 3HG2 THR 4 4.866 5.722 -6.860 27 HG22 THR 4 1HG2 THR 4 5.636 5.257 -8.380 28 HG23 THR 4 2HG2 THR 4 6.623 5.791 -7.019 29 H CYS 5 H CYS 5 2.870 1.793 -5.358 30 HA CYS 5 HA CYS 5 4.606 -0.527 -5.176 31 HB2 CYS 5 2HB CYS 5 1.913 0.035 -3.919 32 HB3 CYS 5 1HB CYS 5 2.921 -1.368 -3.579 33 H GLY 6 H GLY 6 1.568 0.442 -6.628 34 HA2 GLY 6 2HA GLY 6 0.310 -0.543 -8.286 35 HA3 GLY 6 1HA GLY 6 1.662 -1.636 -8.563 36 H GLU 7 H GLU 7 -0.085 -1.186 -5.555 37 HA GLU 7 HA GLU 7 -1.346 -3.812 -5.851 38 HB2 GLU 7 2HB GLU 7 0.889 -3.804 -4.497 39 HB3 GLU 7 1HB GLU 7 -0.072 -3.025 -3.251 40 HG2 GLU 7 2HG GLU 7 -1.675 -4.988 -3.495 41 HG3 GLU 7 1HG GLU 7 -0.379 -5.776 -4.392 42 H THR 8 H THR 8 -3.259 -4.038 -4.703 43 HA THR 8 HA THR 8 -4.288 -1.572 -3.470 44 HB THR 8 HB THR 8 -6.570 -2.488 -4.131 45 HG1 THR 8 1HG THR 8 -5.618 -4.631 -4.642 46 HG21 THR 8 3HG2 THR 8 -4.524 -1.448 -6.044 47 HG22 THR 8 1HG2 THR 8 -5.958 -0.654 -5.392 48 HG23 THR 8 2HG2 THR 8 -6.123 -1.885 -6.644 49 H CYS 9 H CYS 9 -4.376 -1.823 -1.333 50 HA CYS 9 HA CYS 9 -4.690 -4.471 -0.197 51 HB2 CYS 9 2HB CYS 9 -4.346 -3.292 1.984 52 HB3 CYS 9 1HB CYS 9 -3.018 -3.136 0.852 53 H THR 10 H THR 10 -6.940 -4.267 -1.344 54 HA THR 10 HA THR 10 -8.998 -2.760 -0.204 55 HB THR 10 HB THR 10 -10.438 -4.765 -1.028 56 HG1 THR 10 1HG THR 10 -9.275 -6.093 -2.515 57 HG21 THR 10 3HG2 THR 10 -8.901 -2.752 -2.536 58 HG22 THR 10 1HG2 THR 10 -10.637 -3.066 -2.508 59 HG23 THR 10 2HG2 THR 10 -9.575 -4.068 -3.497 60 H LEU 11 H LEU 11 -7.537 -5.792 0.726 61 HA LEU 11 HA LEU 11 -9.443 -6.325 2.830 62 HB2 LEU 11 2HB LEU 11 -6.816 -7.658 2.166 63 HB3 LEU 11 1HB LEU 11 -7.975 -8.236 3.348 64 HG LEU 11 HG LEU 11 -8.472 -8.018 0.376 65 HD11 LEU 11 1HD1 LEU 11 -8.362 -10.419 0.345 66 HD12 LEU 11 2HD1 LEU 11 -8.099 -10.470 2.088 67 HD13 LEU 11 3HD1 LEU 11 -6.865 -9.784 1.030 68 HD21 LEU 11 3HD2 LEU 11 -10.179 -9.109 2.611 69 HD22 LEU 11 1HD2 LEU 11 -10.522 -9.296 0.891 70 HD23 LEU 11 2HD2 LEU 11 -10.518 -7.690 1.619 71 H GLY 12 H GLY 12 -6.495 -4.588 2.468 72 HA2 GLY 12 2HA GLY 12 -5.782 -3.030 4.125 73 HA3 GLY 12 1HA GLY 12 -6.481 -4.070 5.358 74 H THR 13 H THR 13 -4.317 -4.929 2.705 75 HA THR 13 HA THR 13 -2.033 -5.224 4.435 76 HB THR 13 HB THR 13 -3.425 -7.645 3.272 77 HG1 THR 13 1HG THR 13 -3.564 -6.551 5.632 78 HG21 THR 13 3HG2 THR 13 -0.618 -7.369 4.337 79 HG22 THR 13 1HG2 THR 13 -1.126 -7.980 2.761 80 HG23 THR 13 2HG2 THR 13 -1.455 -8.917 4.222 81 H CYS 14 H CYS 14 -0.180 -5.018 3.273 82 HA CYS 14 HA CYS 14 -0.384 -5.245 0.344 83 HB2 CYS 14 2HB CYS 14 1.408 -3.349 1.878 84 HB3 CYS 14 1HB CYS 14 1.205 -3.428 0.130 85 H TYR 15 H TYR 15 0.845 -6.816 -0.442 86 HA TYR 15 HA TYR 15 2.798 -8.076 1.267 87 HB2 TYR 15 2HB TYR 15 3.038 -9.735 -0.534 88 HB3 TYR 15 1HB TYR 15 1.363 -9.507 -0.055 89 HD1 TYR 15 2HD TYR 15 3.827 -8.401 -2.631 90 HD2 TYR 15 1HD TYR 15 -0.248 -9.163 -1.677 91 HE1 TYR 15 2HE TYR 15 3.225 -8.035 -4.980 92 HE2 TYR 15 1HE TYR 15 -0.867 -8.814 -4.036 93 HH TYR 15 HH TYR 15 0.629 -7.269 -6.119 94 H VAL 16 H VAL 16 2.830 -5.794 -1.342 95 HA VAL 16 HA VAL 16 5.455 -6.204 -2.267 96 HB VAL 16 HB VAL 16 3.900 -3.606 -2.174 97 HG11 VAL 16 1HG1 VAL 16 5.565 -2.554 -3.258 98 HG12 VAL 16 2HG1 VAL 16 5.949 -3.967 -4.241 99 HG13 VAL 16 3HG1 VAL 16 6.585 -3.834 -2.602 100 HG21 VAL 16 3HG2 VAL 16 3.122 -4.088 -4.315 101 HG22 VAL 16 1HG2 VAL 16 3.012 -5.642 -3.488 102 HG23 VAL 16 2HG2 VAL 16 4.352 -5.322 -4.589 103 HA PRO 17 HA PRO 17 8.060 -5.459 1.193 104 HB2 PRO 17 2HB PRO 17 9.722 -4.239 -0.971 105 HB3 PRO 17 1HB PRO 17 10.186 -5.378 0.298 106 HG2 PRO 17 2HG PRO 17 9.741 -6.188 -2.217 107 HG3 PRO 17 1HG PRO 17 9.311 -7.192 -0.822 108 HD2 PRO 17 2HD PRO 17 7.558 -5.721 -2.689 109 HD3 PRO 17 1HD PRO 17 7.201 -7.122 -1.663 110 H ASP 18 H ASP 18 7.869 -3.950 2.616 111 HA ASP 18 HA ASP 18 7.746 -1.994 3.722 112 HB2 ASP 18 2HB ASP 18 10.013 -1.780 2.578 113 HB3 ASP 18 1HB ASP 18 9.214 -0.713 1.425 114 H CYS 19 H CYS 19 5.741 -2.540 1.376 115 HA CYS 19 HA CYS 19 4.941 0.209 0.878 116 HB2 CYS 19 2HB CYS 19 4.068 -2.430 -0.218 117 HB3 CYS 19 1HB CYS 19 3.009 -1.028 -0.372 118 H SER 20 H SER 20 3.553 1.278 2.007 119 HA SER 20 HA SER 20 2.149 -0.037 4.181 120 HB2 SER 20 2HB SER 20 2.250 2.908 3.484 121 HB3 SER 20 1HB SER 20 1.808 2.191 5.037 122 HG SER 20 HG SER 20 4.149 1.230 4.580 123 H CYS 21 H CYS 21 -0.058 -0.129 4.400 124 HA CYS 21 HA CYS 21 -1.570 -0.029 1.984 125 HB2 CYS 21 2HB CYS 21 -2.056 -1.735 3.651 126 HB3 CYS 21 1HB CYS 21 -2.456 -0.497 4.837 127 H SER 22 H SER 22 -2.319 1.744 1.123 128 HA SER 22 HA SER 22 -3.268 3.913 2.879 129 HB2 SER 22 2HB SER 22 -2.118 4.027 0.075 130 HB3 SER 22 1HB SER 22 -2.730 5.415 0.962 131 HG SER 22 HG SER 22 -0.993 4.146 2.515 132 H TRP 23 H TRP 23 -4.800 1.840 2.526 133 HA TRP 23 HA TRP 23 -6.371 0.972 0.751 134 HB2 TRP 23 2HB TRP 23 -6.815 0.891 3.226 135 HB3 TRP 23 1HB TRP 23 -7.720 2.391 3.042 136 HD1 TRP 23 HD TRP 23 -7.967 -1.340 2.434 137 HE1 TRP 23 1HE TRP 23 -10.341 -1.915 1.616 138 HE3 TRP 23 3HE TRP 23 -9.724 3.396 1.681 139 HZ2 TRP 23 2HZ TRP 23 -12.650 -0.523 0.735 140 HZ3 TRP 23 3HZ TRP 23 -12.009 3.693 0.838 141 HH2 TRP 23 HH TRP 23 -13.432 1.780 0.367 142 HA PRO 24 HA PRO 24 -7.794 0.314 -0.312 143 HB2 PRO 24 2HB PRO 24 -8.504 0.101 -2.865 144 HB3 PRO 24 1HB PRO 24 -9.676 0.560 -1.622 145 HG2 PRO 24 2HG PRO 24 -8.206 2.297 -3.572 146 HG3 PRO 24 1HG PRO 24 -9.912 2.351 -3.094 147 HD2 PRO 24 2HD PRO 24 -7.975 4.005 -2.060 148 HD3 PRO 24 1HD PRO 24 -9.477 3.567 -1.211 149 H ILE 25 H ILE 25 -5.707 2.581 -1.787 150 HA ILE 25 HA ILE 25 -4.258 0.450 -3.199 151 HB ILE 25 HB ILE 25 -3.856 3.432 -3.428 152 HG12 ILE 25 2HG1 ILE 25 -5.386 1.512 -5.198 153 HG13 ILE 25 1HG1 ILE 25 -6.073 2.816 -4.234 154 HG21 ILE 25 1HG2 ILE 25 -1.936 1.879 -4.000 155 HG22 ILE 25 2HG2 ILE 25 -2.446 2.999 -5.263 156 HG23 ILE 25 3HG2 ILE 25 -2.932 1.306 -5.337 157 HD11 ILE 25 3HD1 ILE 25 -5.340 4.443 -5.671 158 HD12 ILE 25 1HD1 ILE 25 -5.676 3.119 -6.787 159 HD13 ILE 25 2HD1 ILE 25 -4.017 3.451 -6.287 160 H CYS 26 H CYS 26 -2.007 0.156 -2.904 161 HA CYS 26 HA CYS 26 -1.099 0.919 -0.241 162 HB2 CYS 26 2HB CYS 26 0.225 -0.868 -2.296 163 HB3 CYS 26 1HB CYS 26 0.750 -0.629 -0.630 164 H MET 27 H MET 27 0.453 2.402 0.190 165 HA MET 27 HA MET 27 1.970 3.497 -2.081 166 HB2 MET 27 2HB MET 27 0.731 5.194 0.094 167 HB3 MET 27 1HB MET 27 1.669 5.766 -1.277 168 HG2 MET 27 2HG MET 27 -0.161 4.707 -2.715 169 HG3 MET 27 1HG MET 27 -1.098 4.646 -1.235 170 HE1 MET 27 3HE MET 27 -1.749 8.196 -0.254 171 HE2 MET 27 1HE MET 27 -0.042 7.857 0.038 172 HE3 MET 27 2HE MET 27 -1.251 6.606 0.325 173 H LYS 28 H LYS 28 4.013 4.132 -1.664 174 HA LYS 28 HA LYS 28 5.075 3.478 1.002 175 HB2 LYS 28 2HB LYS 28 6.173 2.124 -0.601 176 HB3 LYS 28 1HB LYS 28 6.297 3.442 -1.753 177 HG2 LYS 28 2HG LYS 28 8.465 3.211 -1.005 178 HG3 LYS 28 1HG LYS 28 7.859 4.522 0.001 179 HD2 LYS 28 2HD LYS 28 7.820 1.653 0.904 180 HD3 LYS 28 1HD LYS 28 9.220 2.696 1.148 181 HE2 LYS 28 2HE LYS 28 7.706 4.296 2.342 182 HE3 LYS 28 1HE LYS 28 6.436 3.077 2.237 183 HZ1 LYS 28 3HZ LYS 28 7.437 1.764 3.776 184 HZ2 LYS 28 1HZ LYS 28 8.034 3.253 4.314 185 HZ3 LYS 28 2HZ LYS 28 9.005 2.241 3.363 186 H ASN 29 H ASN 29 5.108 5.263 2.178 187 HA ASN 29 HA ASN 29 5.510 7.372 2.904 188 HB2 ASN 29 2HB ASN 29 7.472 7.547 0.603 189 HB3 ASN 29 1HB ASN 29 7.423 8.596 2.013 190 HD21 ASN 29 1HD2 ASN 29 9.315 6.489 0.767 191 HD22 ASN 29 2HD2 ASN 29 9.842 5.594 2.149 Start of MODEL 10 1 H1 GLY 1 H GLY 1 3.732 6.545 1.307 2 HA2 GLY 1 2HA GLY 1 2.254 8.302 0.740 3 HA3 GLY 1 1HA GLY 1 3.634 9.373 0.561 4 H LEU 2 H LEU 2 4.935 7.095 -1.075 5 HA LEU 2 HA LEU 2 3.792 7.993 -3.600 6 HB2 LEU 2 2HB LEU 2 6.301 6.472 -2.938 7 HB3 LEU 2 1HB LEU 2 5.762 6.752 -4.581 8 HG LEU 2 HG LEU 2 7.344 8.407 -4.229 9 HD11 LEU 2 1HD1 LEU 2 5.232 10.215 -3.366 10 HD12 LEU 2 2HD1 LEU 2 4.762 9.141 -4.682 11 HD13 LEU 2 3HD1 LEU 2 6.171 10.188 -4.858 12 HD21 LEU 2 3HD2 LEU 2 6.134 8.896 -1.516 13 HD22 LEU 2 1HD2 LEU 2 7.444 9.838 -2.226 14 HD23 LEU 2 2HD2 LEU 2 7.686 8.131 -1.856 15 HA PRO 3 HA PRO 3 1.587 4.082 -3.756 16 HB2 PRO 3 2HB PRO 3 0.064 4.653 -5.903 17 HB3 PRO 3 1HB PRO 3 -0.265 5.342 -4.309 18 HG2 PRO 3 2HG PRO 3 1.114 6.575 -6.660 19 HG3 PRO 3 1HG PRO 3 -0.064 7.296 -5.549 20 HD2 PRO 3 2HD PRO 3 2.636 7.692 -5.363 21 HD3 PRO 3 1HD PRO 3 1.531 7.781 -3.978 22 H THR 4 H THR 4 4.241 4.348 -4.867 23 HA THR 4 HA THR 4 4.138 3.222 -7.534 24 HB THR 4 HB THR 4 6.606 3.258 -7.376 25 HG1 THR 4 1HG THR 4 6.864 2.894 -5.152 26 HG21 THR 4 3HG2 THR 4 5.785 5.258 -8.232 27 HG22 THR 4 1HG2 THR 4 6.751 5.809 -6.862 28 HG23 THR 4 2HG2 THR 4 4.996 5.695 -6.715 29 H CYS 5 H CYS 5 2.831 1.630 -5.691 30 HA CYS 5 HA CYS 5 4.664 -0.639 -5.310 31 HB2 CYS 5 2HB CYS 5 2.028 -0.083 -3.933 32 HB3 CYS 5 1HB CYS 5 3.106 -1.433 -3.600 33 H GLY 6 H GLY 6 1.562 0.383 -6.579 34 HA2 GLY 6 2HA GLY 6 0.235 -0.543 -8.215 35 HA3 GLY 6 1HA GLY 6 1.536 -1.682 -8.536 36 H GLU 7 H GLU 7 -0.235 -1.126 -5.539 37 HA GLU 7 HA GLU 7 -1.479 -3.762 -5.787 38 HB2 GLU 7 2HB GLU 7 0.678 -3.859 -4.442 39 HB3 GLU 7 1HB GLU 7 -0.127 -2.844 -3.256 40 HG2 GLU 7 2HG GLU 7 -1.898 -4.575 -3.060 41 HG3 GLU 7 1HG GLU 7 -0.930 -5.610 -4.108 42 H THR 8 H THR 8 -3.339 -4.032 -4.533 43 HA THR 8 HA THR 8 -4.482 -1.556 -3.423 44 HB THR 8 HB THR 8 -6.038 -3.744 -4.822 45 HG1 THR 8 1HG THR 8 -4.480 -1.888 -5.902 46 HG21 THR 8 3HG2 THR 8 -7.314 -1.204 -4.858 47 HG22 THR 8 1HG2 THR 8 -6.807 -1.533 -3.201 48 HG23 THR 8 2HG2 THR 8 -7.840 -2.682 -4.050 49 H CYS 9 H CYS 9 -4.485 -1.835 -1.277 50 HA CYS 9 HA CYS 9 -4.822 -4.483 -0.147 51 HB2 CYS 9 2HB CYS 9 -4.417 -3.315 2.030 52 HB3 CYS 9 1HB CYS 9 -3.107 -3.183 0.875 53 H THR 10 H THR 10 -7.094 -4.274 -1.224 54 HA THR 10 HA THR 10 -9.112 -2.733 -0.056 55 HB THR 10 HB THR 10 -10.562 -4.800 -0.784 56 HG1 THR 10 1HG THR 10 -9.407 -6.028 -2.393 57 HG21 THR 10 3HG2 THR 10 -9.015 -3.312 -2.900 58 HG22 THR 10 1HG2 THR 10 -10.307 -2.579 -1.951 59 HG23 THR 10 2HG2 THR 10 -10.656 -3.946 -3.007 60 H LEU 11 H LEU 11 -7.672 -5.780 0.874 61 HA LEU 11 HA LEU 11 -9.521 -6.263 3.033 62 HB2 LEU 11 2HB LEU 11 -6.912 -7.614 2.337 63 HB3 LEU 11 1HB LEU 11 -8.050 -8.172 3.548 64 HG LEU 11 HG LEU 11 -8.604 -7.991 0.584 65 HD11 LEU 11 1HD1 LEU 11 -8.808 -10.593 1.169 66 HD12 LEU 11 2HD1 LEU 11 -7.573 -10.131 2.340 67 HD13 LEU 11 3HD1 LEU 11 -7.308 -9.844 0.621 68 HD21 LEU 11 3HD2 LEU 11 -10.328 -9.537 2.425 69 HD22 LEU 11 1HD2 LEU 11 -10.743 -8.634 0.968 70 HD23 LEU 11 2HD2 LEU 11 -10.468 -7.781 2.487 71 H GLY 12 H GLY 12 -6.567 -4.553 2.587 72 HA2 GLY 12 2HA GLY 12 -5.812 -2.973 4.206 73 HA3 GLY 12 1HA GLY 12 -6.494 -3.990 5.468 74 H THR 13 H THR 13 -4.407 -4.931 2.787 75 HA THR 13 HA THR 13 -2.088 -5.222 4.479 76 HB THR 13 HB THR 13 -3.496 -7.640 3.326 77 HG1 THR 13 1HG THR 13 -3.632 -6.513 5.695 78 HG21 THR 13 3HG2 THR 13 -1.246 -8.092 2.869 79 HG22 THR 13 1HG2 THR 13 -1.519 -8.861 4.434 80 HG23 THR 13 2HG2 THR 13 -0.693 -7.305 4.349 81 H CYS 14 H CYS 14 -0.256 -5.021 3.281 82 HA CYS 14 HA CYS 14 -0.517 -5.257 0.358 83 HB2 CYS 14 2HB CYS 14 1.307 -3.359 1.854 84 HB3 CYS 14 1HB CYS 14 1.074 -3.444 0.111 85 H TYR 15 H TYR 15 0.653 -6.871 -0.421 86 HA TYR 15 HA TYR 15 2.698 -8.086 1.219 87 HB2 TYR 15 2HB TYR 15 2.853 -9.782 -0.566 88 HB3 TYR 15 1HB TYR 15 1.209 -9.563 0.012 89 HD1 TYR 15 2HD TYR 15 3.472 -8.362 -2.714 90 HD2 TYR 15 1HD TYR 15 -0.485 -9.388 -1.537 91 HE1 TYR 15 2HE TYR 15 2.718 -8.047 -5.025 92 HE2 TYR 15 1HE TYR 15 -1.254 -9.088 -3.855 93 HH TYR 15 HH TYR 15 0.099 -7.442 -6.042 94 H VAL 16 H VAL 16 2.580 -5.763 -1.296 95 HA VAL 16 HA VAL 16 5.114 -6.173 -2.453 96 HB VAL 16 HB VAL 16 3.572 -3.581 -2.177 97 HG11 VAL 16 1HG1 VAL 16 5.379 -3.840 -4.445 98 HG12 VAL 16 2HG1 VAL 16 6.220 -3.864 -2.894 99 HG13 VAL 16 3HG1 VAL 16 5.174 -2.506 -3.310 100 HG21 VAL 16 3HG2 VAL 16 2.308 -5.219 -3.406 101 HG22 VAL 16 1HG2 VAL 16 3.713 -5.619 -4.395 102 HG23 VAL 16 2HG2 VAL 16 2.956 -4.033 -4.540 103 HA PRO 17 HA PRO 17 7.907 -5.442 0.834 104 HB2 PRO 17 2HB PRO 17 9.831 -4.246 -0.892 105 HB3 PRO 17 1HB PRO 17 9.791 -5.904 -0.294 106 HG2 PRO 17 2HG PRO 17 8.947 -4.826 -2.899 107 HG3 PRO 17 1HG PRO 17 9.431 -6.472 -2.464 108 HD2 PRO 17 2HD PRO 17 6.867 -5.771 -3.012 109 HD3 PRO 17 1HD PRO 17 7.281 -7.079 -1.889 110 H ASP 18 H ASP 18 8.184 -3.953 2.241 111 HA ASP 18 HA ASP 18 7.865 -2.041 3.371 112 HB2 ASP 18 2HB ASP 18 9.267 -0.070 2.231 113 HB3 ASP 18 1HB ASP 18 10.005 -1.384 3.134 114 H CYS 19 H CYS 19 5.706 -2.472 1.590 115 HA CYS 19 HA CYS 19 5.026 0.308 0.918 116 HB2 CYS 19 2HB CYS 19 4.083 -2.303 -0.223 117 HB3 CYS 19 1HB CYS 19 3.114 -0.841 -0.395 118 H SER 20 H SER 20 3.534 1.324 2.036 119 HA SER 20 HA SER 20 2.182 -0.105 4.183 120 HB2 SER 20 2HB SER 20 2.299 2.862 3.582 121 HB3 SER 20 1HB SER 20 1.732 2.116 5.079 122 HG SER 20 HG SER 20 4.177 1.200 4.530 123 H CYS 21 H CYS 21 -0.040 -0.175 4.435 124 HA CYS 21 HA CYS 21 -1.559 -0.031 2.016 125 HB2 CYS 21 2HB CYS 21 -2.046 -1.789 3.622 126 HB3 CYS 21 1HB CYS 21 -2.415 -0.596 4.863 127 H SER 22 H SER 22 -2.198 1.832 1.214 128 HA SER 22 HA SER 22 -3.160 3.920 3.057 129 HB2 SER 22 2HB SER 22 -2.057 4.144 0.240 130 HB3 SER 22 1HB SER 22 -2.623 5.496 1.212 131 HG SER 22 HG SER 22 -0.941 4.340 2.757 132 H TRP 23 H TRP 23 -4.724 1.905 2.681 133 HA TRP 23 HA TRP 23 -6.322 1.091 0.911 134 HB2 TRP 23 2HB TRP 23 -6.761 0.984 3.386 135 HB3 TRP 23 1HB TRP 23 -7.645 2.501 3.222 136 HD1 TRP 23 HD TRP 23 -7.948 -1.220 2.568 137 HE1 TRP 23 1HE TRP 23 -10.329 -1.751 1.743 138 HE3 TRP 23 3HE TRP 23 -9.633 3.549 1.856 139 HZ2 TRP 23 2HZ TRP 23 -12.614 -0.316 0.872 140 HZ3 TRP 23 3HZ TRP 23 -11.911 3.888 1.012 141 HH2 TRP 23 HH TRP 23 -13.361 2.000 0.523 142 HA PRO 24 HA PRO 24 -7.712 0.472 -0.158 143 HB2 PRO 24 2HB PRO 24 -8.365 0.294 -2.737 144 HB3 PRO 24 1HB PRO 24 -9.561 0.726 -1.509 145 HG2 PRO 24 2HG PRO 24 -8.066 2.505 -3.401 146 HG3 PRO 24 1HG PRO 24 -9.779 2.544 -2.945 147 HD2 PRO 24 2HD PRO 24 -7.862 4.185 -1.855 148 HD3 PRO 24 1HD PRO 24 -9.376 3.727 -1.037 149 H ILE 25 H ILE 25 -5.789 2.778 -1.961 150 HA ILE 25 HA ILE 25 -4.212 0.694 -3.230 151 HB ILE 25 HB ILE 25 -3.734 3.671 -3.268 152 HG12 ILE 25 2HG1 ILE 25 -5.299 1.915 -5.172 153 HG13 ILE 25 1HG1 ILE 25 -5.957 3.181 -4.140 154 HG21 ILE 25 1HG2 ILE 25 -2.876 2.396 -5.634 155 HG22 ILE 25 2HG2 ILE 25 -2.251 1.455 -4.280 156 HG23 ILE 25 3HG2 ILE 25 -1.891 3.177 -4.398 157 HD11 ILE 25 3HD1 ILE 25 -5.159 4.862 -5.469 158 HD12 ILE 25 1HD1 ILE 25 -5.501 3.615 -6.669 159 HD13 ILE 25 2HD1 ILE 25 -3.847 3.875 -6.113 160 H CYS 26 H CYS 26 -2.011 0.311 -2.895 161 HA CYS 26 HA CYS 26 -1.103 0.940 -0.195 162 HB2 CYS 26 2HB CYS 26 0.136 -0.864 -2.289 163 HB3 CYS 26 1HB CYS 26 0.696 -0.671 -0.630 164 H MET 27 H MET 27 0.495 2.349 0.277 165 HA MET 27 HA MET 27 2.025 3.495 -1.968 166 HB2 MET 27 2HB MET 27 0.972 5.054 0.399 167 HB3 MET 27 1HB MET 27 1.887 5.698 -0.955 168 HG2 MET 27 2HG MET 27 0.011 5.061 -2.446 169 HG3 MET 27 1HG MET 27 -0.896 4.574 -1.024 170 HE1 MET 27 3HE MET 27 -2.959 7.559 -1.616 171 HE2 MET 27 1HE MET 27 -2.637 5.890 -2.085 172 HE3 MET 27 2HE MET 27 -2.074 7.216 -3.102 173 H LYS 28 H LYS 28 4.125 3.955 -1.589 174 HA LYS 28 HA LYS 28 5.239 2.999 0.954 175 HB2 LYS 28 2HB LYS 28 6.183 1.738 -0.788 176 HB3 LYS 28 1HB LYS 28 6.312 3.131 -1.853 177 HG2 LYS 28 2HG LYS 28 8.334 3.678 -1.073 178 HG3 LYS 28 1HG LYS 28 7.886 3.345 0.602 179 HD2 LYS 28 2HD LYS 28 9.656 1.840 -0.292 180 HD3 LYS 28 1HD LYS 28 8.221 1.002 0.299 181 HE2 LYS 28 2HE LYS 28 7.405 0.929 -2.074 182 HE3 LYS 28 1HE LYS 28 8.983 1.544 -2.566 183 HZ1 LYS 28 3HZ LYS 28 9.368 -0.674 -2.731 184 HZ2 LYS 28 1HZ LYS 28 8.252 -1.092 -1.528 185 HZ3 LYS 28 2HZ LYS 28 9.775 -0.483 -1.097 186 H ASN 29 H ASN 29 5.365 4.674 2.277 187 HA ASN 29 HA ASN 29 5.892 6.690 3.168 188 HB2 ASN 29 2HB ASN 29 7.905 6.762 0.906 189 HB3 ASN 29 1HB ASN 29 7.887 7.871 2.273 190 HD21 ASN 29 1HD2 ASN 29 9.378 5.259 1.097 191 HD22 ASN 29 2HD2 ASN 29 9.884 4.501 2.563 Start of MODEL 11 1 H1 GLY 1 H GLY 1 3.247 6.870 1.216 2 HA2 GLY 1 2HA GLY 1 1.668 8.447 0.454 3 HA3 GLY 1 1HA GLY 1 2.959 9.626 0.292 4 H LEU 2 H LEU 2 4.537 7.387 -1.152 5 HA LEU 2 HA LEU 2 3.500 8.090 -3.776 6 HB2 LEU 2 2HB LEU 2 6.042 6.782 -2.858 7 HB3 LEU 2 1HB LEU 2 5.593 6.852 -4.551 8 HG LEU 2 HG LEU 2 7.055 8.642 -4.250 9 HD11 LEU 2 1HD1 LEU 2 5.691 10.657 -4.543 10 HD12 LEU 2 2HD1 LEU 2 4.272 9.754 -4.014 11 HD13 LEU 2 3HD1 LEU 2 5.104 9.298 -5.502 12 HD21 LEU 2 3HD2 LEU 2 6.100 10.334 -2.285 13 HD22 LEU 2 1HD2 LEU 2 7.513 9.283 -2.170 14 HD23 LEU 2 2HD2 LEU 2 5.949 8.725 -1.577 15 HA PRO 3 HA PRO 3 1.528 4.062 -3.904 16 HB2 PRO 3 2HB PRO 3 0.005 4.509 -6.070 17 HB3 PRO 3 1HB PRO 3 -0.371 5.236 -4.503 18 HG2 PRO 3 2HG PRO 3 0.968 6.451 -6.884 19 HG3 PRO 3 1HG PRO 3 -0.241 7.158 -5.797 20 HD2 PRO 3 2HD PRO 3 2.463 7.639 -5.629 21 HD3 PRO 3 1HD PRO 3 1.334 7.792 -4.268 22 H THR 4 H THR 4 4.183 4.358 -4.910 23 HA THR 4 HA THR 4 4.222 3.301 -7.602 24 HB THR 4 HB THR 4 6.688 3.302 -7.274 25 HG1 THR 4 1HG THR 4 6.905 2.963 -5.083 26 HG21 THR 4 3HG2 THR 4 5.042 5.744 -6.714 27 HG22 THR 4 1HG2 THR 4 5.909 5.301 -8.186 28 HG23 THR 4 2HG2 THR 4 6.804 5.847 -6.766 29 H CYS 5 H CYS 5 2.936 1.736 -5.494 30 HA CYS 5 HA CYS 5 4.720 -0.565 -5.222 31 HB2 CYS 5 2HB CYS 5 2.010 -0.053 -3.979 32 HB3 CYS 5 1HB CYS 5 3.078 -1.404 -3.613 33 H GLY 6 H GLY 6 1.670 0.435 -6.637 34 HA2 GLY 6 2HA GLY 6 0.426 -0.507 -8.334 35 HA3 GLY 6 1HA GLY 6 1.754 -1.635 -8.596 36 H GLU 7 H GLU 7 -0.028 -1.105 -5.626 37 HA GLU 7 HA GLU 7 -1.324 -3.716 -5.883 38 HB2 GLU 7 2HB GLU 7 0.852 -3.849 -4.558 39 HB3 GLU 7 1HB GLU 7 0.072 -2.828 -3.362 40 HG2 GLU 7 2HG GLU 7 -1.734 -4.554 -3.195 41 HG3 GLU 7 1HG GLU 7 -0.728 -5.598 -4.197 42 H THR 8 H THR 8 -3.184 -3.944 -4.585 43 HA THR 8 HA THR 8 -4.173 -1.455 -3.390 44 HB THR 8 HB THR 8 -5.358 -1.669 -5.463 45 HG1 THR 8 1HG THR 8 -6.550 -1.388 -3.301 46 HG21 THR 8 3HG2 THR 8 -5.121 -3.864 -6.193 47 HG22 THR 8 1HG2 THR 8 -6.834 -3.773 -5.779 48 HG23 THR 8 2HG2 THR 8 -5.697 -4.539 -4.669 49 H CYS 9 H CYS 9 -4.378 -1.744 -1.292 50 HA CYS 9 HA CYS 9 -4.725 -4.414 -0.220 51 HB2 CYS 9 2HB CYS 9 -4.410 -3.280 1.989 52 HB3 CYS 9 1HB CYS 9 -3.061 -3.118 0.883 53 H THR 10 H THR 10 -6.958 -4.174 -1.396 54 HA THR 10 HA THR 10 -9.023 -2.670 -0.274 55 HB THR 10 HB THR 10 -10.447 -4.702 -1.112 56 HG1 THR 10 1HG THR 10 -8.981 -5.699 -2.860 57 HG21 THR 10 3HG2 THR 10 -8.777 -3.271 -3.166 58 HG22 THR 10 1HG2 THR 10 -10.031 -2.453 -2.235 59 HG23 THR 10 2HG2 THR 10 -10.455 -3.797 -3.295 60 H LEU 11 H LEU 11 -7.628 -5.745 0.647 61 HA LEU 11 HA LEU 11 -9.557 -6.243 2.736 62 HB2 LEU 11 2HB LEU 11 -6.960 -7.634 2.072 63 HB3 LEU 11 1HB LEU 11 -8.129 -8.189 3.255 64 HG LEU 11 HG LEU 11 -8.624 -7.954 0.286 65 HD11 LEU 11 1HD1 LEU 11 -8.909 -10.563 0.867 66 HD12 LEU 11 2HD1 LEU 11 -7.652 -10.126 2.024 67 HD13 LEU 11 3HD1 LEU 11 -7.400 -9.847 0.301 68 HD21 LEU 11 3HD2 LEU 11 -10.371 -8.547 2.613 69 HD22 LEU 11 1HD2 LEU 11 -10.618 -9.479 1.136 70 HD23 LEU 11 2HD2 LEU 11 -10.740 -7.720 1.100 71 H GLY 12 H GLY 12 -6.582 -4.559 2.408 72 HA2 GLY 12 2HA GLY 12 -5.850 -3.030 4.085 73 HA3 GLY 12 1HA GLY 12 -6.568 -4.074 5.304 74 H THR 13 H THR 13 -4.413 -4.942 2.646 75 HA THR 13 HA THR 13 -2.144 -5.298 4.390 76 HB THR 13 HB THR 13 -3.545 -7.675 3.147 77 HG1 THR 13 1HG THR 13 -3.717 -6.615 5.536 78 HG21 THR 13 3HG2 THR 13 -1.290 -8.127 2.703 79 HG22 THR 13 1HG2 THR 13 -1.595 -8.947 4.235 80 HG23 THR 13 2HG2 THR 13 -0.751 -7.398 4.217 81 H CYS 14 H CYS 14 -0.280 -5.069 3.250 82 HA CYS 14 HA CYS 14 -0.455 -5.244 0.316 83 HB2 CYS 14 2HB CYS 14 1.307 -3.371 1.914 84 HB3 CYS 14 1HB CYS 14 1.157 -3.431 0.160 85 H TYR 15 H TYR 15 0.740 -6.837 -0.462 86 HA TYR 15 HA TYR 15 2.722 -8.097 1.222 87 HB2 TYR 15 2HB TYR 15 2.932 -9.757 -0.588 88 HB3 TYR 15 1HB TYR 15 1.267 -9.534 -0.073 89 HD1 TYR 15 2HD TYR 15 3.638 -8.244 -2.670 90 HD2 TYR 15 1HD TYR 15 -0.347 -9.374 -1.699 91 HE1 TYR 15 2HE TYR 15 2.982 -7.883 -5.006 92 HE2 TYR 15 1HE TYR 15 -1.017 -9.030 -4.045 93 HH TYR 15 HH TYR 15 0.460 -7.299 -6.143 94 H VAL 16 H VAL 16 2.718 -5.717 -1.254 95 HA VAL 16 HA VAL 16 5.298 -6.159 -2.308 96 HB VAL 16 HB VAL 16 3.811 -3.530 -2.085 97 HG11 VAL 16 1HG1 VAL 16 5.405 -2.529 -3.343 98 HG12 VAL 16 2HG1 VAL 16 5.767 -3.999 -4.247 99 HG13 VAL 16 3HG1 VAL 16 6.437 -3.770 -2.632 100 HG21 VAL 16 3HG2 VAL 16 2.978 -5.696 -3.452 101 HG22 VAL 16 1HG2 VAL 16 4.030 -4.956 -4.658 102 HG23 VAL 16 2HG2 VAL 16 2.686 -4.039 -3.977 103 HA PRO 17 HA PRO 17 7.994 -5.552 1.108 104 HB2 PRO 17 2HB PRO 17 9.640 -4.341 -1.073 105 HB3 PRO 17 1HB PRO 17 10.101 -5.513 0.166 106 HG2 PRO 17 2HG PRO 17 9.582 -6.275 -2.345 107 HG3 PRO 17 1HG PRO 17 9.142 -7.283 -0.956 108 HD2 PRO 17 2HD PRO 17 7.407 -5.718 -2.767 109 HD3 PRO 17 1HD PRO 17 7.024 -7.132 -1.771 110 H ASP 18 H ASP 18 7.830 -4.063 2.557 111 HA ASP 18 HA ASP 18 7.790 -2.126 3.698 112 HB2 ASP 18 2HB ASP 18 10.049 -1.967 2.551 113 HB3 ASP 18 1HB ASP 18 9.282 -0.880 1.395 114 H CYS 19 H CYS 19 5.781 -2.561 1.303 115 HA CYS 19 HA CYS 19 5.004 0.215 0.930 116 HB2 CYS 19 2HB CYS 19 4.089 -2.369 -0.269 117 HB3 CYS 19 1HB CYS 19 3.073 -0.933 -0.386 118 H SER 20 H SER 20 3.557 1.242 2.040 119 HA SER 20 HA SER 20 2.168 -0.144 4.183 120 HB2 SER 20 2HB SER 20 2.259 2.820 3.569 121 HB3 SER 20 1HB SER 20 1.804 2.060 5.097 122 HG SER 20 HG SER 20 4.135 1.110 4.685 123 H CYS 21 H CYS 21 -0.053 -0.175 4.439 124 HA CYS 21 HA CYS 21 -1.568 -0.065 2.020 125 HB2 CYS 21 2HB CYS 21 -2.066 -1.779 3.671 126 HB3 CYS 21 1HB CYS 21 -2.437 -0.551 4.876 127 H SER 22 H SER 22 -2.203 1.774 1.174 128 HA SER 22 HA SER 22 -3.171 3.909 2.960 129 HB2 SER 22 2HB SER 22 -2.016 4.063 0.160 130 HB3 SER 22 1HB SER 22 -2.605 5.442 1.078 131 HG SER 22 HG SER 22 -0.936 4.257 2.669 132 H TRP 23 H TRP 23 -4.747 1.899 2.612 133 HA TRP 23 HA TRP 23 -6.323 1.068 0.809 134 HB2 TRP 23 2HB TRP 23 -6.773 0.949 3.281 135 HB3 TRP 23 1HB TRP 23 -7.649 2.471 3.126 136 HD1 TRP 23 HD TRP 23 -7.971 -1.245 2.448 137 HE1 TRP 23 1HE TRP 23 -10.354 -1.758 1.617 138 HE3 TRP 23 3HE TRP 23 -9.634 3.540 1.782 139 HZ2 TRP 23 2HZ TRP 23 -12.634 -0.305 0.763 140 HZ3 TRP 23 3HZ TRP 23 -11.913 3.896 0.944 141 HH2 TRP 23 HH TRP 23 -13.372 2.019 0.439 142 HA PRO 24 HA PRO 24 -7.764 0.454 -0.256 143 HB2 PRO 24 2HB PRO 24 -8.465 0.292 -2.820 144 HB3 PRO 24 1HB PRO 24 -9.635 0.747 -1.572 145 HG2 PRO 24 2HG PRO 24 -8.134 2.491 -3.490 146 HG3 PRO 24 1HG PRO 24 -9.839 2.567 -3.010 147 HD2 PRO 24 2HD PRO 24 -7.873 4.171 -1.951 148 HD3 PRO 24 1HD PRO 24 -9.384 3.746 -1.109 149 H ILE 25 H ILE 25 -5.672 2.718 -1.792 150 HA ILE 25 HA ILE 25 -4.243 0.584 -3.204 151 HB ILE 25 HB ILE 25 -3.743 3.556 -3.327 152 HG12 ILE 25 2HG1 ILE 25 -5.343 1.759 -5.161 153 HG13 ILE 25 1HG1 ILE 25 -5.982 3.051 -4.149 154 HG21 ILE 25 1HG2 ILE 25 -2.029 1.622 -4.046 155 HG22 ILE 25 2HG2 ILE 25 -2.140 3.176 -4.871 156 HG23 ILE 25 3HG2 ILE 25 -2.963 1.765 -5.534 157 HD11 ILE 25 3HD1 ILE 25 -3.903 3.696 -6.170 158 HD12 ILE 25 1HD1 ILE 25 -5.205 4.698 -5.531 159 HD13 ILE 25 2HD1 ILE 25 -5.566 3.423 -6.695 160 H CYS 26 H CYS 26 -2.011 0.205 -2.911 161 HA CYS 26 HA CYS 26 -1.078 0.867 -0.230 162 HB2 CYS 26 2HB CYS 26 0.174 -0.917 -2.333 163 HB3 CYS 26 1HB CYS 26 0.737 -0.714 -0.675 164 H MET 27 H MET 27 0.508 2.300 0.229 165 HA MET 27 HA MET 27 2.038 3.436 -2.015 166 HB2 MET 27 2HB MET 27 0.803 5.096 0.190 167 HB3 MET 27 1HB MET 27 1.703 5.686 -1.199 168 HG2 MET 27 2HG MET 27 -0.088 4.858 -2.669 169 HG3 MET 27 1HG MET 27 -0.991 4.351 -1.250 170 HE1 MET 27 3HE MET 27 -2.992 5.583 -2.131 171 HE2 MET 27 1HE MET 27 -2.277 6.452 -3.489 172 HE3 MET 27 2HE MET 27 -3.168 7.334 -2.250 173 H LYS 28 H LYS 28 4.071 4.169 -1.529 174 HA LYS 28 HA LYS 28 5.098 3.421 1.125 175 HB2 LYS 28 2HB LYS 28 6.264 2.149 -0.499 176 HB3 LYS 28 1HB LYS 28 6.377 3.510 -1.605 177 HG2 LYS 28 2HG LYS 28 8.532 3.322 -0.818 178 HG3 LYS 28 1HG LYS 28 7.863 4.565 0.236 179 HD2 LYS 28 2HD LYS 28 7.890 1.655 0.993 180 HD3 LYS 28 1HD LYS 28 9.248 2.726 1.328 181 HE2 LYS 28 2HE LYS 28 7.723 4.195 2.606 182 HE3 LYS 28 1HE LYS 28 6.418 3.043 2.325 183 HZ1 LYS 28 3HZ LYS 28 8.877 1.979 3.483 184 HZ2 LYS 28 1HZ LYS 28 7.262 1.581 3.806 185 HZ3 LYS 28 2HZ LYS 28 7.936 2.976 4.484 186 H ASN 29 H ASN 29 4.976 5.188 2.335 187 HA ASN 29 HA ASN 29 5.293 7.284 3.136 188 HB2 ASN 29 2HB ASN 29 7.385 7.565 0.965 189 HB3 ASN 29 1HB ASN 29 7.235 8.559 2.408 190 HD21 ASN 29 1HD2 ASN 29 9.224 6.515 1.190 191 HD22 ASN 29 2HD2 ASN 29 9.689 5.580 2.567 Start of MODEL 12 1 H1 GLY 1 H GLY 1 3.584 6.556 1.448 2 HA2 GLY 1 2HA GLY 1 2.073 8.269 0.863 3 HA3 GLY 1 1HA GLY 1 3.417 9.394 0.776 4 H LEU 2 H LEU 2 4.728 7.037 -0.886 5 HA LEU 2 HA LEU 2 3.694 8.067 -3.423 6 HB2 LEU 2 2HB LEU 2 6.214 6.581 -2.726 7 HB3 LEU 2 1HB LEU 2 5.718 6.886 -4.378 8 HG LEU 2 HG LEU 2 7.251 8.568 -3.942 9 HD11 LEU 2 1HD1 LEU 2 4.621 9.851 -3.264 10 HD12 LEU 2 2HD1 LEU 2 5.146 9.416 -4.890 11 HD13 LEU 2 3HD1 LEU 2 6.034 10.632 -3.973 12 HD21 LEU 2 3HD2 LEU 2 7.645 8.347 -1.628 13 HD22 LEU 2 1HD2 LEU 2 5.989 8.808 -1.229 14 HD23 LEU 2 2HD2 LEU 2 7.109 10.010 -1.874 15 HA PRO 3 HA PRO 3 1.558 4.149 -3.827 16 HB2 PRO 3 2HB PRO 3 0.245 4.717 -6.112 17 HB3 PRO 3 1HB PRO 3 -0.234 5.405 -4.556 18 HG2 PRO 3 2HG PRO 3 1.369 6.639 -6.761 19 HG3 PRO 3 1HG PRO 3 0.082 7.357 -5.776 20 HD2 PRO 3 2HD PRO 3 2.743 7.770 -5.315 21 HD3 PRO 3 1HD PRO 3 1.508 7.836 -4.044 22 H THR 4 H THR 4 4.306 4.430 -4.703 23 HA THR 4 HA THR 4 4.457 3.290 -7.356 24 HB THR 4 HB THR 4 6.897 3.309 -6.955 25 HG1 THR 4 1HG THR 4 6.871 2.942 -4.694 26 HG21 THR 4 3HG2 THR 4 6.190 5.313 -7.888 27 HG22 THR 4 1HG2 THR 4 7.000 5.863 -6.420 28 HG23 THR 4 2HG2 THR 4 5.239 5.753 -6.466 29 H CYS 5 H CYS 5 2.942 1.644 -5.896 30 HA CYS 5 HA CYS 5 4.706 -0.653 -5.364 31 HB2 CYS 5 2HB CYS 5 2.094 -0.035 -3.966 32 HB3 CYS 5 1HB CYS 5 3.152 -1.403 -3.641 33 H GLY 6 H GLY 6 1.590 0.489 -6.540 34 HA2 GLY 6 2HA GLY 6 0.198 -0.365 -8.159 35 HA3 GLY 6 1HA GLY 6 1.480 -1.499 -8.568 36 H GLU 7 H GLU 7 -0.191 -1.058 -5.495 37 HA GLU 7 HA GLU 7 -1.430 -3.693 -5.809 38 HB2 GLU 7 2HB GLU 7 0.725 -3.797 -4.471 39 HB3 GLU 7 1HB GLU 7 -0.079 -2.801 -3.266 40 HG2 GLU 7 2HG GLU 7 -1.839 -4.548 -3.089 41 HG3 GLU 7 1HG GLU 7 -0.865 -5.563 -4.149 42 H THR 8 H THR 8 -3.284 -4.014 -4.536 43 HA THR 8 HA THR 8 -4.458 -1.562 -3.406 44 HB THR 8 HB THR 8 -5.990 -3.759 -4.814 45 HG1 THR 8 1HG THR 8 -4.441 -1.936 -5.909 46 HG21 THR 8 3HG2 THR 8 -7.644 -2.725 -3.659 47 HG22 THR 8 1HG2 THR 8 -7.526 -1.544 -4.963 48 HG23 THR 8 2HG2 THR 8 -6.706 -1.249 -3.429 49 H CYS 9 H CYS 9 -4.483 -1.843 -1.262 50 HA CYS 9 HA CYS 9 -4.775 -4.500 -0.140 51 HB2 CYS 9 2HB CYS 9 -4.418 -3.319 2.045 52 HB3 CYS 9 1HB CYS 9 -3.094 -3.183 0.905 53 H THR 10 H THR 10 -7.043 -4.329 -1.236 54 HA THR 10 HA THR 10 -9.096 -2.824 -0.090 55 HB THR 10 HB THR 10 -10.504 -4.919 -0.823 56 HG1 THR 10 1HG THR 10 -9.314 -6.138 -2.411 57 HG21 THR 10 3HG2 THR 10 -9.839 -4.166 -3.319 58 HG22 THR 10 1HG2 THR 10 -9.133 -2.832 -2.406 59 HG23 THR 10 2HG2 THR 10 -10.853 -3.194 -2.254 60 H LEU 11 H LEU 11 -7.626 -5.854 0.859 61 HA LEU 11 HA LEU 11 -9.485 -6.333 3.015 62 HB2 LEU 11 2HB LEU 11 -6.887 -7.702 2.315 63 HB3 LEU 11 1HB LEU 11 -8.025 -8.251 3.530 64 HG LEU 11 HG LEU 11 -8.585 -8.072 0.567 65 HD11 LEU 11 1HD1 LEU 11 -8.730 -10.611 0.895 66 HD12 LEU 11 2HD1 LEU 11 -7.817 -10.334 2.377 67 HD13 LEU 11 3HD1 LEU 11 -7.129 -9.875 0.820 68 HD21 LEU 11 3HD2 LEU 11 -10.646 -9.272 1.110 69 HD22 LEU 11 1HD2 LEU 11 -10.586 -7.702 1.911 70 HD23 LEU 11 2HD2 LEU 11 -10.254 -9.171 2.828 71 H GLY 12 H GLY 12 -6.558 -4.601 2.566 72 HA2 GLY 12 2HA GLY 12 -5.787 -3.039 4.189 73 HA3 GLY 12 1HA GLY 12 -6.462 -4.062 5.450 74 H THR 13 H THR 13 -4.380 -4.965 2.749 75 HA THR 13 HA THR 13 -2.063 -5.285 4.438 76 HB THR 13 HB THR 13 -3.460 -7.683 3.228 77 HG1 THR 13 1HG THR 13 -3.610 -6.600 5.622 78 HG21 THR 13 3HG2 THR 13 -1.496 -8.928 4.316 79 HG22 THR 13 1HG2 THR 13 -0.671 -7.369 4.305 80 HG23 THR 13 2HG2 THR 13 -1.193 -8.101 2.786 81 H CYS 14 H CYS 14 -0.222 -5.085 3.249 82 HA CYS 14 HA CYS 14 -0.474 -5.264 0.323 83 HB2 CYS 14 2HB CYS 14 1.327 -3.363 1.842 84 HB3 CYS 14 1HB CYS 14 1.082 -3.422 0.099 85 H TYR 15 H TYR 15 0.711 -6.857 -0.465 86 HA TYR 15 HA TYR 15 2.769 -8.070 1.161 87 HB2 TYR 15 2HB TYR 15 2.941 -9.737 -0.660 88 HB3 TYR 15 1HB TYR 15 1.302 -9.552 -0.055 89 HD1 TYR 15 2HD TYR 15 3.493 -8.207 -2.778 90 HD2 TYR 15 1HD TYR 15 -0.401 -9.443 -1.594 91 HE1 TYR 15 2HE TYR 15 2.703 -7.861 -5.073 92 HE2 TYR 15 1HE TYR 15 -1.207 -9.114 -3.897 93 HH TYR 15 HH TYR 15 0.074 -7.345 -6.057 94 H VAL 16 H VAL 16 2.634 -5.720 -1.334 95 HA VAL 16 HA VAL 16 5.181 -6.131 -2.483 96 HB VAL 16 HB VAL 16 3.621 -3.546 -2.255 97 HG11 VAL 16 1HG1 VAL 16 6.130 -4.273 -3.712 98 HG12 VAL 16 2HG1 VAL 16 5.752 -2.816 -2.796 99 HG13 VAL 16 3HG1 VAL 16 5.035 -3.067 -4.387 100 HG21 VAL 16 3HG2 VAL 16 3.007 -5.848 -3.669 101 HG22 VAL 16 1HG2 VAL 16 3.770 -4.800 -4.865 102 HG23 VAL 16 2HG2 VAL 16 2.364 -4.232 -3.964 103 HA PRO 17 HA PRO 17 8.070 -5.396 0.740 104 HB2 PRO 17 2HB PRO 17 9.445 -3.981 -1.507 105 HB3 PRO 17 1HB PRO 17 10.098 -5.138 -0.342 106 HG2 PRO 17 2HG PRO 17 9.441 -5.863 -2.844 107 HG3 PRO 17 1HG PRO 17 9.250 -6.956 -1.464 108 HD2 PRO 17 2HD PRO 17 7.191 -5.599 -3.071 109 HD3 PRO 17 1HD PRO 17 7.050 -7.015 -2.015 110 H ASP 18 H ASP 18 8.144 -3.989 2.240 111 HA ASP 18 HA ASP 18 7.711 -2.160 3.473 112 HB2 ASP 18 2HB ASP 18 9.117 -0.095 2.505 113 HB3 ASP 18 1HB ASP 18 9.837 -1.436 3.379 114 H CYS 19 H CYS 19 5.679 -2.510 1.461 115 HA CYS 19 HA CYS 19 4.988 0.294 0.925 116 HB2 CYS 19 2HB CYS 19 4.006 -2.290 -0.258 117 HB3 CYS 19 1HB CYS 19 3.096 -0.792 -0.444 118 H SER 20 H SER 20 3.557 1.301 2.117 119 HA SER 20 HA SER 20 2.160 -0.163 4.198 120 HB2 SER 20 2HB SER 20 2.275 2.818 3.679 121 HB3 SER 20 1HB SER 20 1.740 2.023 5.162 122 HG SER 20 HG SER 20 4.169 1.125 4.565 123 H CYS 21 H CYS 21 -0.061 -0.235 4.438 124 HA CYS 21 HA CYS 21 -1.576 -0.058 2.029 125 HB2 CYS 21 2HB CYS 21 -2.085 -1.793 3.657 126 HB3 CYS 21 1HB CYS 21 -2.454 -0.579 4.876 127 H SER 22 H SER 22 -2.317 1.750 1.207 128 HA SER 22 HA SER 22 -3.200 3.895 3.025 129 HB2 SER 22 2HB SER 22 -2.083 4.044 0.208 130 HB3 SER 22 1HB SER 22 -2.672 5.425 1.122 131 HG SER 22 HG SER 22 -0.940 4.125 2.647 132 H TRP 23 H TRP 23 -4.764 1.848 2.642 133 HA TRP 23 HA TRP 23 -6.370 1.048 0.880 134 HB2 TRP 23 2HB TRP 23 -6.806 0.933 3.357 135 HB3 TRP 23 1HB TRP 23 -7.697 2.445 3.194 136 HD1 TRP 23 HD TRP 23 -7.979 -1.274 2.522 137 HE1 TRP 23 1HE TRP 23 -10.355 -1.814 1.693 138 HE3 TRP 23 3HE TRP 23 -9.689 3.489 1.831 139 HZ2 TRP 23 2HZ TRP 23 -12.648 -0.390 0.828 140 HZ3 TRP 23 3HZ TRP 23 -11.969 3.817 0.987 141 HH2 TRP 23 HH TRP 23 -13.409 1.924 0.488 142 HA PRO 24 HA PRO 24 -7.764 0.431 -0.192 143 HB2 PRO 24 2HB PRO 24 -8.375 0.268 -2.785 144 HB3 PRO 24 1HB PRO 24 -9.590 0.676 -1.569 145 HG2 PRO 24 2HG PRO 24 -8.093 2.486 -3.427 146 HG3 PRO 24 1HG PRO 24 -9.809 2.507 -2.984 147 HD2 PRO 24 2HD PRO 24 -7.916 4.154 -1.865 148 HD3 PRO 24 1HD PRO 24 -9.431 3.675 -1.060 149 H ILE 25 H ILE 25 -5.861 2.732 -2.053 150 HA ILE 25 HA ILE 25 -4.243 0.658 -3.264 151 HB ILE 25 HB ILE 25 -3.782 3.638 -3.297 152 HG12 ILE 25 2HG1 ILE 25 -5.301 1.869 -5.226 153 HG13 ILE 25 1HG1 ILE 25 -5.987 3.127 -4.203 154 HG21 ILE 25 1HG2 ILE 25 -2.881 1.707 -5.395 155 HG22 ILE 25 2HG2 ILE 25 -1.925 1.946 -3.932 156 HG23 ILE 25 3HG2 ILE 25 -2.252 3.308 -5.003 157 HD11 ILE 25 3HD1 ILE 25 -5.191 4.818 -5.518 158 HD12 ILE 25 1HD1 ILE 25 -5.491 3.568 -6.726 159 HD13 ILE 25 2HD1 ILE 25 -3.853 3.850 -6.138 160 H CYS 26 H CYS 26 -2.028 0.304 -2.909 161 HA CYS 26 HA CYS 26 -1.170 0.933 -0.188 162 HB2 CYS 26 2HB CYS 26 0.095 -0.871 -2.264 163 HB3 CYS 26 1HB CYS 26 0.655 -0.664 -0.607 164 H MET 27 H MET 27 0.393 2.380 0.297 165 HA MET 27 HA MET 27 2.003 3.456 -1.921 166 HB2 MET 27 2HB MET 27 0.836 5.129 0.312 167 HB3 MET 27 1HB MET 27 1.815 5.705 -1.028 168 HG2 MET 27 2HG MET 27 -0.053 4.787 -2.518 169 HG3 MET 27 1HG MET 27 -1.005 4.735 -1.045 170 HE1 MET 27 3HE MET 27 -1.688 8.029 0.082 171 HE2 MET 27 1HE MET 27 0.065 8.113 0.251 172 HE3 MET 27 2HE MET 27 -0.784 6.608 0.607 173 H LYS 28 H LYS 28 4.068 3.898 -1.484 174 HA LYS 28 HA LYS 28 5.085 3.046 1.132 175 HB2 LYS 28 2HB LYS 28 6.106 1.772 -0.565 176 HB3 LYS 28 1HB LYS 28 6.295 3.167 -1.621 177 HG2 LYS 28 2HG LYS 28 8.255 3.744 -0.702 178 HG3 LYS 28 1HG LYS 28 7.722 3.349 0.935 179 HD2 LYS 28 2HD LYS 28 9.550 1.890 0.116 180 HD3 LYS 28 1HD LYS 28 8.083 1.011 0.549 181 HE2 LYS 28 2HE LYS 28 7.457 1.027 -1.872 182 HE3 LYS 28 1HE LYS 28 9.042 1.714 -2.221 183 HZ1 LYS 28 3HZ LYS 28 8.339 -0.991 -1.346 184 HZ2 LYS 28 1HZ LYS 28 9.819 -0.351 -0.818 185 HZ3 LYS 28 2HZ LYS 28 9.493 -0.488 -2.477 186 H ASN 29 H ASN 29 5.242 4.704 2.459 187 HA ASN 29 HA ASN 29 5.727 6.732 3.349 188 HB2 ASN 29 2HB ASN 29 7.747 6.808 1.095 189 HB3 ASN 29 1HB ASN 29 7.705 7.945 2.438 190 HD21 ASN 29 1HD2 ASN 29 9.259 5.347 1.332 191 HD22 ASN 29 2HD2 ASN 29 9.757 4.621 2.817 Start of MODEL 13 1 H1 GLY 1 H GLY 1 3.256 6.692 1.217 2 HA2 GLY 1 2HA GLY 1 1.756 8.428 0.593 3 HA3 GLY 1 1HA GLY 1 3.122 9.520 0.459 4 H LEU 2 H LEU 2 4.556 7.279 -1.101 5 HA LEU 2 HA LEU 2 3.506 8.125 -3.680 6 HB2 LEU 2 2HB LEU 2 5.986 6.603 -2.914 7 HB3 LEU 2 1HB LEU 2 5.521 6.914 -4.575 8 HG LEU 2 HG LEU 2 7.082 8.562 -4.135 9 HD11 LEU 2 1HD1 LEU 2 4.648 10.096 -3.342 10 HD12 LEU 2 2HD1 LEU 2 4.789 9.375 -4.945 11 HD13 LEU 2 3HD1 LEU 2 5.971 10.568 -4.408 12 HD21 LEU 2 3HD2 LEU 2 5.852 9.475 -1.582 13 HD22 LEU 2 1HD2 LEU 2 7.518 9.615 -2.142 14 HD23 LEU 2 2HD2 LEU 2 6.904 8.061 -1.580 15 HA PRO 3 HA PRO 3 1.338 4.185 -3.886 16 HB2 PRO 3 2HB PRO 3 -0.176 4.770 -6.034 17 HB3 PRO 3 1HB PRO 3 -0.525 5.431 -4.432 18 HG2 PRO 3 2HG PRO 3 0.848 6.717 -6.757 19 HG3 PRO 3 1HG PRO 3 -0.342 7.406 -5.639 20 HD2 PRO 3 2HD PRO 3 2.358 7.825 -5.442 21 HD3 PRO 3 1HD PRO 3 1.245 7.895 -4.062 22 H THR 4 H THR 4 4.004 4.446 -4.964 23 HA THR 4 HA THR 4 3.877 3.353 -7.653 24 HB THR 4 HB THR 4 6.338 3.459 -7.565 25 HG1 THR 4 1HG THR 4 6.683 3.078 -5.362 26 HG21 THR 4 3HG2 THR 4 6.452 6.001 -7.046 27 HG22 THR 4 1HG2 THR 4 4.709 5.861 -6.809 28 HG23 THR 4 2HG2 THR 4 5.425 5.447 -8.370 29 H CYS 5 H CYS 5 2.727 1.763 -5.575 30 HA CYS 5 HA CYS 5 4.639 -0.441 -5.289 31 HB2 CYS 5 2HB CYS 5 1.996 0.050 -3.904 32 HB3 CYS 5 1HB CYS 5 3.037 -1.342 -3.625 33 H GLY 6 H GLY 6 1.512 0.408 -6.621 34 HA2 GLY 6 2HA GLY 6 0.275 -0.608 -8.275 35 HA3 GLY 6 1HA GLY 6 1.631 -1.698 -8.536 36 H GLU 7 H GLU 7 -0.205 -1.180 -5.572 37 HA GLU 7 HA GLU 7 -1.446 -3.809 -5.839 38 HB2 GLU 7 2HB GLU 7 0.787 -3.855 -4.493 39 HB3 GLU 7 1HB GLU 7 -0.144 -3.048 -3.241 40 HG2 GLU 7 2HG GLU 7 -1.812 -4.984 -3.530 41 HG3 GLU 7 1HG GLU 7 -0.484 -5.802 -4.350 42 H THR 8 H THR 8 -3.347 -4.024 -4.657 43 HA THR 8 HA THR 8 -4.340 -1.544 -3.422 44 HB THR 8 HB THR 8 -6.639 -2.416 -4.095 45 HG1 THR 8 1HG THR 8 -5.705 -4.567 -4.633 46 HG21 THR 8 3HG2 THR 8 -5.883 -0.554 -5.298 47 HG22 THR 8 1HG2 THR 8 -6.268 -1.733 -6.551 48 HG23 THR 8 2HG2 THR 8 -4.590 -1.466 -6.077 49 H CYS 9 H CYS 9 -4.447 -1.812 -1.286 50 HA CYS 9 HA CYS 9 -4.800 -4.467 -0.176 51 HB2 CYS 9 2HB CYS 9 -4.467 -3.295 2.019 52 HB3 CYS 9 1HB CYS 9 -3.120 -3.183 0.907 53 H THR 10 H THR 10 -7.038 -4.275 -1.301 54 HA THR 10 HA THR 10 -9.092 -2.737 -0.195 55 HB THR 10 HB THR 10 -10.542 -4.743 -0.991 56 HG1 THR 10 1HG THR 10 -9.376 -6.107 -2.448 57 HG21 THR 10 3HG2 THR 10 -10.480 -2.789 -2.319 58 HG22 THR 10 1HG2 THR 10 -10.061 -4.109 -3.412 59 HG23 THR 10 2HG2 THR 10 -8.797 -3.057 -2.773 60 H LEU 11 H LEU 11 -7.652 -5.762 0.797 61 HA LEU 11 HA LEU 11 -9.574 -6.243 2.900 62 HB2 LEU 11 2HB LEU 11 -6.957 -7.610 2.265 63 HB3 LEU 11 1HB LEU 11 -8.117 -8.156 3.460 64 HG LEU 11 HG LEU 11 -8.621 -7.990 0.486 65 HD11 LEU 11 1HD1 LEU 11 -8.852 -10.617 1.379 66 HD12 LEU 11 2HD1 LEU 11 -7.385 -10.001 2.140 67 HD13 LEU 11 3HD1 LEU 11 -7.562 -9.938 0.386 68 HD21 LEU 11 3HD2 LEU 11 -10.738 -7.786 1.307 69 HD22 LEU 11 1HD2 LEU 11 -10.345 -8.580 2.832 70 HD23 LEU 11 2HD2 LEU 11 -10.578 -9.541 1.372 71 H GLY 12 H GLY 12 -6.675 -4.464 2.529 72 HA2 GLY 12 2HA GLY 12 -5.933 -2.914 4.165 73 HA3 GLY 12 1HA GLY 12 -6.653 -3.924 5.411 74 H THR 13 H THR 13 -4.506 -4.898 2.795 75 HA THR 13 HA THR 13 -2.220 -5.165 4.527 76 HB THR 13 HB THR 13 -3.683 -7.591 3.475 77 HG1 THR 13 1HG THR 13 -3.751 -6.427 5.786 78 HG21 THR 13 3HG2 THR 13 -1.440 -8.051 2.898 79 HG22 THR 13 1HG2 THR 13 -1.698 -8.864 4.445 80 HG23 THR 13 2HG2 THR 13 -0.827 -7.332 4.391 81 H CYS 14 H CYS 14 -0.394 -4.945 3.346 82 HA CYS 14 HA CYS 14 -0.612 -5.267 0.429 83 HB2 CYS 14 2HB CYS 14 1.266 -3.428 1.931 84 HB3 CYS 14 1HB CYS 14 1.073 -3.535 0.184 85 H TYR 15 H TYR 15 0.521 -6.916 -0.329 86 HA TYR 15 HA TYR 15 2.435 -8.234 1.380 87 HB2 TYR 15 2HB TYR 15 2.554 -9.949 -0.356 88 HB3 TYR 15 1HB TYR 15 0.885 -9.584 0.057 89 HD1 TYR 15 2HD TYR 15 3.516 -8.821 -2.464 90 HD2 TYR 15 1HD TYR 15 -0.644 -9.072 -1.613 91 HE1 TYR 15 2HE TYR 15 3.029 -8.460 -4.838 92 HE2 TYR 15 1HE TYR 15 -1.153 -8.726 -4.001 93 HH TYR 15 HH TYR 15 0.540 -7.432 -6.070 94 H VAL 16 H VAL 16 2.519 -6.013 -1.285 95 HA VAL 16 HA VAL 16 5.129 -6.539 -2.208 96 HB VAL 16 HB VAL 16 3.579 -3.939 -2.245 97 HG11 VAL 16 1HG1 VAL 16 5.197 -3.338 -4.088 98 HG12 VAL 16 2HG1 VAL 16 6.198 -4.682 -3.536 99 HG13 VAL 16 3HG1 VAL 16 5.863 -3.329 -2.455 100 HG21 VAL 16 3HG2 VAL 16 3.688 -4.734 -4.800 101 HG22 VAL 16 1HG2 VAL 16 2.391 -5.208 -3.704 102 HG23 VAL 16 2HG2 VAL 16 3.733 -6.310 -4.010 103 HA PRO 17 HA PRO 17 7.447 -5.459 1.422 104 HB2 PRO 17 2HB PRO 17 9.644 -5.339 -0.566 105 HB3 PRO 17 1HB PRO 17 9.530 -6.271 0.928 106 HG2 PRO 17 2HG PRO 17 9.276 -7.428 -1.479 107 HG3 PRO 17 1HG PRO 17 8.357 -7.983 -0.068 108 HD2 PRO 17 2HD PRO 17 7.446 -6.393 -2.417 109 HD3 PRO 17 1HD PRO 17 6.564 -7.575 -1.434 110 H ASP 18 H ASP 18 8.004 -3.613 2.328 111 HA ASP 18 HA ASP 18 8.461 -1.422 2.679 112 HB2 ASP 18 2HB ASP 18 10.401 -1.964 1.121 113 HB3 ASP 18 1HB ASP 18 9.435 -1.270 -0.174 114 H CYS 19 H CYS 19 5.883 -2.049 2.053 115 HA CYS 19 HA CYS 19 5.012 0.433 0.803 116 HB2 CYS 19 2HB CYS 19 4.242 -2.310 -0.150 117 HB3 CYS 19 1HB CYS 19 3.164 -0.936 -0.376 118 H SER 20 H SER 20 3.424 1.376 1.864 119 HA SER 20 HA SER 20 2.197 -0.082 4.089 120 HB2 SER 20 2HB SER 20 2.280 2.892 3.514 121 HB3 SER 20 1HB SER 20 1.701 2.132 5.000 122 HG SER 20 HG SER 20 4.162 1.240 4.463 123 H CYS 21 H CYS 21 -0.046 -0.095 4.405 124 HA CYS 21 HA CYS 21 -1.573 -0.024 1.984 125 HB2 CYS 21 2HB CYS 21 -2.044 -1.750 3.624 126 HB3 CYS 21 1HB CYS 21 -2.418 -0.536 4.842 127 H SER 22 H SER 22 -2.369 1.743 1.144 128 HA SER 22 HA SER 22 -3.330 3.877 2.936 129 HB2 SER 22 2HB SER 22 -2.161 4.068 0.145 130 HB3 SER 22 1HB SER 22 -2.792 5.428 1.062 131 HG SER 22 HG SER 22 -1.133 4.382 2.694 132 H TRP 23 H TRP 23 -4.867 1.843 2.574 133 HA TRP 23 HA TRP 23 -6.430 0.980 0.780 134 HB2 TRP 23 2HB TRP 23 -6.880 0.880 3.250 135 HB3 TRP 23 1HB TRP 23 -7.768 2.392 3.084 136 HD1 TRP 23 HD TRP 23 -8.062 -1.331 2.449 137 HE1 TRP 23 1HE TRP 23 -10.447 -1.873 1.639 138 HE3 TRP 23 3HE TRP 23 -9.767 3.431 1.737 139 HZ2 TRP 23 2HZ TRP 23 -12.744 -0.448 0.780 140 HZ3 TRP 23 3HZ TRP 23 -12.055 3.759 0.908 141 HH2 TRP 23 HH TRP 23 -13.501 1.866 0.434 142 HA PRO 24 HA PRO 24 -7.878 0.335 -0.276 143 HB2 PRO 24 2HB PRO 24 -8.602 0.139 -2.828 144 HB3 PRO 24 1HB PRO 24 -9.764 0.603 -1.576 145 HG2 PRO 24 2HG PRO 24 -8.288 2.332 -3.527 146 HG3 PRO 24 1HG PRO 24 -9.992 2.402 -3.039 147 HD2 PRO 24 2HD PRO 24 -8.032 4.033 -2.012 148 HD3 PRO 24 1HD PRO 24 -9.534 3.607 -1.154 149 H ILE 25 H ILE 25 -5.771 2.584 -1.731 150 HA ILE 25 HA ILE 25 -4.352 0.453 -3.172 151 HB ILE 25 HB ILE 25 -3.928 3.431 -3.386 152 HG12 ILE 25 2HG1 ILE 25 -5.478 1.540 -5.167 153 HG13 ILE 25 1HG1 ILE 25 -6.155 2.836 -4.186 154 HG21 ILE 25 1HG2 ILE 25 -2.419 3.047 -5.073 155 HG22 ILE 25 2HG2 ILE 25 -3.077 1.452 -5.442 156 HG23 ILE 25 3HG2 ILE 25 -2.087 1.685 -4.001 157 HD11 ILE 25 3HD1 ILE 25 -4.090 3.530 -6.194 158 HD12 ILE 25 1HD1 ILE 25 -5.472 4.463 -5.622 159 HD13 ILE 25 2HD1 ILE 25 -5.714 3.134 -6.758 160 H CYS 26 H CYS 26 -2.110 0.131 -2.888 161 HA CYS 26 HA CYS 26 -1.171 0.875 -0.234 162 HB2 CYS 26 2HB CYS 26 0.125 -0.906 -2.308 163 HB3 CYS 26 1HB CYS 26 0.673 -0.669 -0.650 164 H MET 27 H MET 27 0.413 2.311 0.201 165 HA MET 27 HA MET 27 1.871 3.489 -2.070 166 HB2 MET 27 2HB MET 27 0.697 5.062 0.231 167 HB3 MET 27 1HB MET 27 1.602 5.715 -1.125 168 HG2 MET 27 2HG MET 27 -0.200 4.969 -2.635 169 HG3 MET 27 1HG MET 27 -1.110 4.422 -1.236 170 HE1 MET 27 3HE MET 27 -3.002 5.657 -2.185 171 HE2 MET 27 1HE MET 27 -2.387 6.807 -3.373 172 HE3 MET 27 2HE MET 27 -3.299 7.383 -1.977 173 H LYS 28 H LYS 28 3.939 4.112 -1.676 174 HA LYS 28 HA LYS 28 5.106 3.217 0.862 175 HB2 LYS 28 2HB LYS 28 6.320 2.168 -0.811 176 HB3 LYS 28 1HB LYS 28 6.131 3.509 -1.932 177 HG2 LYS 28 2HG LYS 28 8.036 4.469 -1.279 178 HG3 LYS 28 1HG LYS 28 7.694 4.196 0.431 179 HD2 LYS 28 2HD LYS 28 9.714 3.013 -0.361 180 HD3 LYS 28 1HD LYS 28 8.476 1.929 0.275 181 HE2 LYS 28 2HE LYS 28 7.729 1.512 -2.057 182 HE3 LYS 28 1HE LYS 28 9.094 2.477 -2.624 183 HZ1 LYS 28 3HZ LYS 28 10.182 0.543 -2.616 184 HZ2 LYS 28 1HZ LYS 28 9.035 -0.223 -1.636 185 HZ3 LYS 28 2HZ LYS 28 10.257 0.717 -0.930 186 H ASN 29 H ASN 29 5.007 4.840 2.271 187 HA ASN 29 HA ASN 29 5.226 6.880 3.240 188 HB2 ASN 29 2HB ASN 29 7.457 7.108 1.208 189 HB3 ASN 29 1HB ASN 29 7.224 8.213 2.559 190 HD21 ASN 29 1HD2 ASN 29 8.926 5.621 1.555 191 HD22 ASN 29 2HD2 ASN 29 9.327 4.915 3.078 Start of MODEL 14 1 H1 GLY 1 H GLY 1 3.439 6.865 1.069 2 HA2 GLY 1 2HA GLY 1 1.816 8.440 0.415 3 HA3 GLY 1 1HA GLY 1 3.088 9.630 0.202 4 H LEU 2 H LEU 2 4.516 7.298 -1.350 5 HA LEU 2 HA LEU 2 3.352 8.085 -3.907 6 HB2 LEU 2 2HB LEU 2 5.955 6.790 -3.158 7 HB3 LEU 2 1HB LEU 2 5.402 6.863 -4.819 8 HG LEU 2 HG LEU 2 6.864 8.666 -4.602 9 HD11 LEU 2 1HD1 LEU 2 4.333 10.119 -4.021 10 HD12 LEU 2 2HD1 LEU 2 4.474 9.137 -5.479 11 HD13 LEU 2 3HD1 LEU 2 5.590 10.476 -5.205 12 HD21 LEU 2 3HD2 LEU 2 7.401 9.645 -2.685 13 HD22 LEU 2 1HD2 LEU 2 6.263 8.555 -1.892 14 HD23 LEU 2 2HD2 LEU 2 5.735 10.157 -2.410 15 HA PRO 3 HA PRO 3 1.391 4.052 -3.999 16 HB2 PRO 3 2HB PRO 3 -0.194 4.507 -6.119 17 HB3 PRO 3 1HB PRO 3 -0.525 5.228 -4.539 18 HG2 PRO 3 2HG PRO 3 0.744 6.452 -6.955 19 HG3 PRO 3 1HG PRO 3 -0.433 7.155 -5.831 20 HD2 PRO 3 2HD PRO 3 2.273 7.640 -5.739 21 HD3 PRO 3 1HD PRO 3 1.186 7.781 -4.344 22 H THR 4 H THR 4 4.016 4.354 -5.085 23 HA THR 4 HA THR 4 3.959 3.292 -7.778 24 HB THR 4 HB THR 4 6.432 3.345 -7.570 25 HG1 THR 4 1HG THR 4 6.823 3.031 -5.420 26 HG21 THR 4 3HG2 THR 4 4.799 5.773 -6.886 27 HG22 THR 4 1HG2 THR 4 5.524 5.328 -8.433 28 HG23 THR 4 2HG2 THR 4 6.547 5.880 -7.106 29 H CYS 5 H CYS 5 2.915 1.775 -5.393 30 HA CYS 5 HA CYS 5 4.720 -0.491 -5.225 31 HB2 CYS 5 2HB CYS 5 2.013 -0.030 -3.959 32 HB3 CYS 5 1HB CYS 5 3.084 -1.383 -3.616 33 H GLY 6 H GLY 6 1.656 0.397 -6.665 34 HA2 GLY 6 2HA GLY 6 0.453 -0.601 -8.358 35 HA3 GLY 6 1HA GLY 6 1.800 -1.713 -8.578 36 H GLU 7 H GLU 7 -0.031 -1.145 -5.644 37 HA GLU 7 HA GLU 7 -1.298 -3.771 -5.867 38 HB2 GLU 7 2HB GLU 7 0.878 -3.875 -4.534 39 HB3 GLU 7 1HB GLU 7 0.083 -2.852 -3.348 40 HG2 GLU 7 2HG GLU 7 -1.719 -4.596 -3.205 41 HG3 GLU 7 1HG GLU 7 -0.671 -5.639 -4.164 42 H THR 8 H THR 8 -3.153 -4.001 -4.552 43 HA THR 8 HA THR 8 -4.154 -1.506 -3.382 44 HB THR 8 HB THR 8 -5.330 -1.726 -5.458 45 HG1 THR 8 1HG THR 8 -6.530 -1.461 -3.287 46 HG21 THR 8 3HG2 THR 8 -6.620 -4.309 -4.901 47 HG22 THR 8 1HG2 THR 8 -4.905 -4.402 -5.299 48 HG23 THR 8 2HG2 THR 8 -6.030 -3.638 -6.422 49 H CYS 9 H CYS 9 -4.379 -1.786 -1.285 50 HA CYS 9 HA CYS 9 -4.729 -4.453 -0.204 51 HB2 CYS 9 2HB CYS 9 -4.453 -3.292 2.006 52 HB3 CYS 9 1HB CYS 9 -3.082 -3.165 0.923 53 H THR 10 H THR 10 -6.947 -4.226 -1.403 54 HA THR 10 HA THR 10 -9.030 -2.722 -0.315 55 HB THR 10 HB THR 10 -10.440 -4.756 -1.160 56 HG1 THR 10 1HG THR 10 -8.953 -5.771 -2.877 57 HG21 THR 10 3HG2 THR 10 -10.526 -2.841 -2.474 58 HG22 THR 10 1HG2 THR 10 -9.844 -4.032 -3.583 59 HG23 THR 10 2HG2 THR 10 -8.790 -2.860 -2.790 60 H LEU 11 H LEU 11 -7.633 -5.783 0.639 61 HA LEU 11 HA LEU 11 -9.584 -6.292 2.703 62 HB2 LEU 11 2HB LEU 11 -6.951 -7.644 2.103 63 HB3 LEU 11 1HB LEU 11 -8.142 -8.213 3.257 64 HG LEU 11 HG LEU 11 -8.565 -7.993 0.274 65 HD11 LEU 11 1HD1 LEU 11 -7.137 -9.803 0.535 66 HD12 LEU 11 2HD1 LEU 11 -8.735 -10.547 0.593 67 HD13 LEU 11 3HD1 LEU 11 -7.840 -10.262 2.085 68 HD21 LEU 11 3HD2 LEU 11 -10.364 -9.489 2.119 69 HD22 LEU 11 1HD2 LEU 11 -10.713 -8.745 0.559 70 HD23 LEU 11 2HD2 LEU 11 -10.533 -7.738 1.995 71 H GLY 12 H GLY 12 -6.650 -4.541 2.412 72 HA2 GLY 12 2HA GLY 12 -5.961 -2.998 4.087 73 HA3 GLY 12 1HA GLY 12 -6.686 -4.040 5.303 74 H THR 13 H THR 13 -4.498 -4.946 2.692 75 HA THR 13 HA THR 13 -2.234 -5.224 4.454 76 HB THR 13 HB THR 13 -3.629 -7.652 3.309 77 HG1 THR 13 1HG THR 13 -3.793 -6.512 5.651 78 HG21 THR 13 3HG2 THR 13 -0.818 -7.319 4.307 79 HG22 THR 13 1HG2 THR 13 -1.391 -8.136 2.850 80 HG23 THR 13 2HG2 THR 13 -1.652 -8.868 4.435 81 H CYS 14 H CYS 14 -0.384 -4.978 3.309 82 HA CYS 14 HA CYS 14 -0.544 -5.261 0.383 83 HB2 CYS 14 2HB CYS 14 1.260 -3.389 1.935 84 HB3 CYS 14 1HB CYS 14 1.096 -3.480 0.184 85 H TYR 15 H TYR 15 0.647 -6.879 -0.367 86 HA TYR 15 HA TYR 15 2.569 -8.150 1.373 87 HB2 TYR 15 2HB TYR 15 2.789 -9.840 -0.404 88 HB3 TYR 15 1HB TYR 15 1.118 -9.579 0.069 89 HD1 TYR 15 2HD TYR 15 3.585 -8.454 -2.502 90 HD2 TYR 15 1HD TYR 15 -0.472 -9.332 -1.577 91 HE1 TYR 15 2HE TYR 15 2.991 -8.115 -4.856 92 HE2 TYR 15 1HE TYR 15 -1.083 -9.008 -3.941 93 HH TYR 15 HH TYR 15 0.459 -7.417 -6.036 94 H VAL 16 H VAL 16 2.660 -5.802 -1.129 95 HA VAL 16 HA VAL 16 5.263 -6.283 -2.112 96 HB VAL 16 HB VAL 16 3.803 -3.634 -1.929 97 HG11 VAL 16 1HG1 VAL 16 6.473 -4.304 -2.791 98 HG12 VAL 16 2HG1 VAL 16 5.708 -2.721 -2.639 99 HG13 VAL 16 3HG1 VAL 16 5.528 -3.650 -4.128 100 HG21 VAL 16 3HG2 VAL 16 2.458 -4.961 -3.279 101 HG22 VAL 16 1HG2 VAL 16 3.830 -5.835 -3.959 102 HG23 VAL 16 2HG2 VAL 16 3.516 -4.169 -4.446 103 HA PRO 17 HA PRO 17 7.693 -5.584 1.478 104 HB2 PRO 17 2HB PRO 17 9.977 -4.823 0.032 105 HB3 PRO 17 1HB PRO 17 9.560 -6.450 0.571 106 HG2 PRO 17 2HG PRO 17 9.211 -5.188 -2.093 107 HG3 PRO 17 1HG PRO 17 9.526 -6.882 -1.681 108 HD2 PRO 17 2HD PRO 17 7.103 -6.020 -2.485 109 HD3 PRO 17 1HD PRO 17 7.286 -7.333 -1.307 110 H ASP 18 H ASP 18 7.757 -3.960 2.765 111 HA ASP 18 HA ASP 18 7.953 -1.925 3.697 112 HB2 ASP 18 2HB ASP 18 10.115 -1.957 2.353 113 HB3 ASP 18 1HB ASP 18 9.277 -0.945 1.175 114 H CYS 19 H CYS 19 5.868 -2.513 1.301 115 HA CYS 19 HA CYS 19 5.048 0.244 0.893 116 HB2 CYS 19 2HB CYS 19 4.175 -2.371 -0.265 117 HB3 CYS 19 1HB CYS 19 3.124 -0.962 -0.389 118 H SER 20 H SER 20 3.554 1.267 1.952 119 HA SER 20 HA SER 20 2.195 -0.098 4.134 120 HB2 SER 20 2HB SER 20 2.299 2.855 3.472 121 HB3 SER 20 1HB SER 20 1.805 2.128 5.005 122 HG SER 20 HG SER 20 4.147 1.155 4.629 123 H CYS 21 H CYS 21 -0.020 -0.156 4.388 124 HA CYS 21 HA CYS 21 -1.551 -0.063 1.979 125 HB2 CYS 21 2HB CYS 21 -2.039 -1.768 3.641 126 HB3 CYS 21 1HB CYS 21 -2.399 -0.534 4.844 127 H SER 22 H SER 22 -2.326 1.707 1.127 128 HA SER 22 HA SER 22 -3.240 3.877 2.900 129 HB2 SER 22 2HB SER 22 -2.091 4.005 0.097 130 HB3 SER 22 1HB SER 22 -2.690 5.390 0.998 131 HG SER 22 HG SER 22 -0.971 4.116 2.551 132 H TRP 23 H TRP 23 -4.810 1.840 2.546 133 HA TRP 23 HA TRP 23 -6.382 1.010 0.743 134 HB2 TRP 23 2HB TRP 23 -6.846 0.895 3.214 135 HB3 TRP 23 1HB TRP 23 -7.726 2.413 3.049 136 HD1 TRP 23 HD TRP 23 -8.030 -1.304 2.373 137 HE1 TRP 23 1HE TRP 23 -10.404 -1.828 1.524 138 HE3 TRP 23 3HE TRP 23 -9.706 3.472 1.686 139 HZ2 TRP 23 2HZ TRP 23 -12.683 -0.386 0.650 140 HZ3 TRP 23 3HZ TRP 23 -11.981 3.817 0.830 141 HH2 TRP 23 HH TRP 23 -13.427 1.934 0.316 142 HA PRO 24 HA PRO 24 -7.813 0.393 -0.332 143 HB2 PRO 24 2HB PRO 24 -8.471 0.231 -2.910 144 HB3 PRO 24 1HB PRO 24 -9.661 0.676 -1.678 145 HG2 PRO 24 2HG PRO 24 -8.142 2.435 -3.569 146 HG3 PRO 24 1HG PRO 24 -9.854 2.499 -3.114 147 HD2 PRO 24 2HD PRO 24 -7.918 4.113 -2.023 148 HD3 PRO 24 1HD PRO 24 -9.434 3.671 -1.202 149 H ILE 25 H ILE 25 -5.745 2.667 -1.933 150 HA ILE 25 HA ILE 25 -4.259 0.527 -3.269 151 HB ILE 25 HB ILE 25 -3.792 3.504 -3.414 152 HG12 ILE 25 2HG1 ILE 25 -5.335 1.668 -5.259 153 HG13 ILE 25 1HG1 ILE 25 -6.011 2.955 -4.265 154 HG21 ILE 25 1HG2 ILE 25 -2.945 1.638 -5.554 155 HG22 ILE 25 2HG2 ILE 25 -2.006 1.650 -4.061 156 HG23 ILE 25 3HG2 ILE 25 -2.201 3.134 -4.993 157 HD11 ILE 25 3HD1 ILE 25 -3.911 3.626 -6.256 158 HD12 ILE 25 1HD1 ILE 25 -5.244 4.606 -5.647 159 HD13 ILE 25 2HD1 ILE 25 -5.556 3.316 -6.809 160 H CYS 26 H CYS 26 -2.013 0.191 -2.958 161 HA CYS 26 HA CYS 26 -1.119 0.893 -0.268 162 HB2 CYS 26 2HB CYS 26 0.163 -0.932 -2.321 163 HB3 CYS 26 1HB CYS 26 0.704 -0.698 -0.658 164 H MET 27 H MET 27 0.446 2.365 0.167 165 HA MET 27 HA MET 27 1.973 3.440 -2.109 166 HB2 MET 27 2HB MET 27 0.791 5.135 0.097 167 HB3 MET 27 1HB MET 27 1.712 5.706 -1.287 168 HG2 MET 27 2HG MET 27 -0.157 4.676 -2.699 169 HG3 MET 27 1HG MET 27 -1.069 4.620 -1.202 170 HE1 MET 27 3HE MET 27 -1.644 8.194 -0.203 171 HE2 MET 27 1HE MET 27 0.043 7.772 0.090 172 HE3 MET 27 2HE MET 27 -1.225 6.576 0.359 173 H LYS 28 H LYS 28 4.014 4.112 -1.707 174 HA LYS 28 HA LYS 28 5.129 3.410 0.924 175 HB2 LYS 28 2HB LYS 28 6.209 2.062 -0.685 176 HB3 LYS 28 1HB LYS 28 6.271 3.363 -1.863 177 HG2 LYS 28 2HG LYS 28 8.465 3.191 -1.199 178 HG3 LYS 28 1HG LYS 28 7.874 4.486 -0.162 179 HD2 LYS 28 2HD LYS 28 7.898 1.616 0.728 180 HD3 LYS 28 1HD LYS 28 9.306 2.660 0.911 181 HE2 LYS 28 2HE LYS 28 7.904 4.239 2.211 182 HE3 LYS 28 1HE LYS 28 6.568 3.095 2.099 183 HZ1 LYS 28 3HZ LYS 28 7.506 1.712 3.598 184 HZ2 LYS 28 1HZ LYS 28 8.263 3.130 4.129 185 HZ3 LYS 28 2HZ LYS 28 9.094 2.049 3.117 186 H ASN 29 H ASN 29 5.220 5.184 2.114 187 HA ASN 29 HA ASN 29 5.647 7.288 2.843 188 HB2 ASN 29 2HB ASN 29 7.536 7.462 0.482 189 HB3 ASN 29 1HB ASN 29 7.527 8.524 1.885 190 HD21 ASN 29 1HD2 ASN 29 9.394 6.421 0.607 191 HD22 ASN 29 2HD2 ASN 29 9.957 5.532 1.978 Start of MODEL 15 1 H1 GLY 1 H GLY 1 3.284 6.743 1.161 2 HA2 GLY 1 2HA GLY 1 1.733 8.430 0.558 3 HA3 GLY 1 1HA GLY 1 3.064 9.568 0.424 4 H LEU 2 H LEU 2 4.449 7.248 -1.177 5 HA LEU 2 HA LEU 2 3.362 8.150 -3.736 6 HB2 LEU 2 2HB LEU 2 5.910 6.713 -3.026 7 HB3 LEU 2 1HB LEU 2 5.402 7.012 -4.677 8 HG LEU 2 HG LEU 2 6.909 8.716 -4.260 9 HD11 LEU 2 1HD1 LEU 2 5.717 10.679 -4.507 10 HD12 LEU 2 2HD1 LEU 2 4.437 10.157 -3.410 11 HD13 LEU 2 3HD1 LEU 2 4.566 9.444 -5.018 12 HD21 LEU 2 3HD2 LEU 2 6.958 8.232 -1.766 13 HD22 LEU 2 1HD2 LEU 2 5.654 9.411 -1.627 14 HD23 LEU 2 2HD2 LEU 2 7.223 9.904 -2.261 15 HA PRO 3 HA PRO 3 1.311 4.161 -3.974 16 HB2 PRO 3 2HB PRO 3 -0.132 4.670 -6.192 17 HB3 PRO 3 1HB PRO 3 -0.555 5.354 -4.618 18 HG2 PRO 3 2HG PRO 3 0.893 6.623 -6.909 19 HG3 PRO 3 1HG PRO 3 -0.365 7.307 -5.863 20 HD2 PRO 3 2HD PRO 3 2.303 7.806 -5.543 21 HD3 PRO 3 1HD PRO 3 1.131 7.847 -4.212 22 H THR 4 H THR 4 4.006 4.459 -4.958 23 HA THR 4 HA THR 4 4.015 3.307 -7.623 24 HB THR 4 HB THR 4 6.476 3.438 -7.407 25 HG1 THR 4 1HG THR 4 6.691 3.134 -5.171 26 HG21 THR 4 3HG2 THR 4 6.503 6.008 -6.936 27 HG22 THR 4 1HG2 THR 4 4.749 5.820 -6.859 28 HG23 THR 4 2HG2 THR 4 5.620 5.386 -8.332 29 H CYS 5 H CYS 5 2.741 1.698 -5.727 30 HA CYS 5 HA CYS 5 4.664 -0.490 -5.319 31 HB2 CYS 5 2HB CYS 5 2.036 0.044 -3.919 32 HB3 CYS 5 1HB CYS 5 3.073 -1.349 -3.627 33 H GLY 6 H GLY 6 1.534 0.382 -6.633 34 HA2 GLY 6 2HA GLY 6 0.269 -0.634 -8.264 35 HA3 GLY 6 1HA GLY 6 1.613 -1.736 -8.532 36 H GLU 7 H GLU 7 -0.240 -1.181 -5.577 37 HA GLU 7 HA GLU 7 -1.478 -3.810 -5.829 38 HB2 GLU 7 2HB GLU 7 0.755 -3.857 -4.481 39 HB3 GLU 7 1HB GLU 7 -0.179 -3.046 -3.231 40 HG2 GLU 7 2HG GLU 7 -1.851 -4.980 -3.530 41 HG3 GLU 7 1HG GLU 7 -0.517 -5.801 -4.336 42 H THR 8 H THR 8 -3.378 -4.020 -4.650 43 HA THR 8 HA THR 8 -4.368 -1.540 -3.415 44 HB THR 8 HB THR 8 -6.667 -2.409 -4.089 45 HG1 THR 8 1HG THR 8 -5.742 -4.563 -4.629 46 HG21 THR 8 3HG2 THR 8 -6.191 -1.791 -6.600 47 HG22 THR 8 1HG2 THR 8 -4.598 -1.368 -5.973 48 HG23 THR 8 2HG2 THR 8 -6.037 -0.575 -5.333 49 H CYS 9 H CYS 9 -4.463 -1.815 -1.281 50 HA CYS 9 HA CYS 9 -4.826 -4.468 -0.172 51 HB2 CYS 9 2HB CYS 9 -4.477 -3.301 2.023 52 HB3 CYS 9 1HB CYS 9 -3.134 -3.189 0.904 53 H THR 10 H THR 10 -7.068 -4.257 -1.295 54 HA THR 10 HA THR 10 -9.109 -2.711 -0.177 55 HB THR 10 HB THR 10 -10.569 -4.716 -0.973 56 HG1 THR 10 1HG THR 10 -9.416 -6.066 -2.448 57 HG21 THR 10 3HG2 THR 10 -9.849 -4.066 -3.441 58 HG22 THR 10 1HG2 THR 10 -8.943 -2.818 -2.587 59 HG23 THR 10 2HG2 THR 10 -10.693 -2.924 -2.394 60 H LEU 11 H LEU 11 -7.680 -5.742 0.804 61 HA LEU 11 HA LEU 11 -9.601 -6.230 2.903 62 HB2 LEU 11 2HB LEU 11 -6.976 -7.585 2.275 63 HB3 LEU 11 1HB LEU 11 -8.139 -8.138 3.465 64 HG LEU 11 HG LEU 11 -8.631 -7.970 0.490 65 HD11 LEU 11 1HD1 LEU 11 -8.789 -10.588 1.686 66 HD12 LEU 11 2HD1 LEU 11 -7.197 -9.869 1.934 67 HD13 LEU 11 3HD1 LEU 11 -7.847 -10.038 0.302 68 HD21 LEU 11 3HD2 LEU 11 -10.777 -8.630 0.832 69 HD22 LEU 11 1HD2 LEU 11 -10.539 -7.734 2.332 70 HD23 LEU 11 2HD2 LEU 11 -10.393 -9.492 2.322 71 H GLY 12 H GLY 12 -6.675 -4.478 2.537 72 HA2 GLY 12 2HA GLY 12 -5.953 -2.909 4.172 73 HA3 GLY 12 1HA GLY 12 -6.674 -3.920 5.417 74 H THR 13 H THR 13 -4.523 -4.904 2.810 75 HA THR 13 HA THR 13 -2.231 -5.142 4.537 76 HB THR 13 HB THR 13 -3.683 -7.596 3.529 77 HG1 THR 13 1HG THR 13 -3.765 -6.386 5.821 78 HG21 THR 13 3HG2 THR 13 -1.695 -8.838 4.529 79 HG22 THR 13 1HG2 THR 13 -0.834 -7.299 4.456 80 HG23 THR 13 2HG2 THR 13 -1.432 -8.046 2.972 81 H CYS 14 H CYS 14 -0.412 -4.928 3.340 82 HA CYS 14 HA CYS 14 -0.658 -5.282 0.427 83 HB2 CYS 14 2HB CYS 14 1.276 -3.475 1.895 84 HB3 CYS 14 1HB CYS 14 1.037 -3.573 0.152 85 H TYR 15 H TYR 15 0.467 -6.929 -0.359 86 HA TYR 15 HA TYR 15 2.365 -8.284 1.338 87 HB2 TYR 15 2HB TYR 15 2.493 -9.962 -0.466 88 HB3 TYR 15 1HB TYR 15 0.841 -9.647 0.044 89 HD1 TYR 15 1HD TYR 15 3.314 -8.726 -2.585 90 HD2 TYR 15 2HD TYR 15 -0.784 -9.155 -1.532 91 HE1 TYR 15 1HE TYR 15 2.690 -8.308 -4.918 92 HE2 TYR 15 2HE TYR 15 -1.429 -8.743 -3.874 93 HH TYR 15 HH TYR 15 0.129 -7.323 -5.988 94 H VAL 16 H VAL 16 2.468 -6.016 -1.274 95 HA VAL 16 HA VAL 16 5.081 -6.544 -2.208 96 HB VAL 16 HB VAL 16 3.548 -3.931 -2.183 97 HG11 VAL 16 1HG1 VAL 16 5.421 -2.918 -2.830 98 HG12 VAL 16 2HG1 VAL 16 5.441 -3.950 -4.259 99 HG13 VAL 16 3HG1 VAL 16 6.302 -4.445 -2.802 100 HG21 VAL 16 3HG2 VAL 16 3.782 -6.207 -4.098 101 HG22 VAL 16 1HG2 VAL 16 3.530 -4.576 -4.721 102 HG23 VAL 16 2HG2 VAL 16 2.357 -5.288 -3.612 103 HA PRO 17 HA PRO 17 7.355 -5.436 1.421 104 HB2 PRO 17 2HB PRO 17 9.818 -5.356 0.192 105 HB3 PRO 17 1HB PRO 17 9.034 -6.828 0.770 106 HG2 PRO 17 2HG PRO 17 9.189 -5.720 -1.994 107 HG3 PRO 17 1HG PRO 17 9.259 -7.407 -1.452 108 HD2 PRO 17 2HD PRO 17 7.040 -6.306 -2.550 109 HD3 PRO 17 1HD PRO 17 6.963 -7.590 -1.328 110 H ASP 18 H ASP 18 7.928 -3.611 2.347 111 HA ASP 18 HA ASP 18 8.410 -1.433 2.723 112 HB2 ASP 18 2HB ASP 18 10.360 -2.019 1.166 113 HB3 ASP 18 1HB ASP 18 9.433 -1.236 -0.106 114 H CYS 19 H CYS 19 5.844 -2.038 2.042 115 HA CYS 19 HA CYS 19 5.002 0.462 0.804 116 HB2 CYS 19 2HB CYS 19 4.204 -2.275 -0.153 117 HB3 CYS 19 1HB CYS 19 3.160 -0.879 -0.404 118 H SER 20 H SER 20 3.411 1.407 1.867 119 HA SER 20 HA SER 20 2.183 -0.051 4.086 120 HB2 SER 20 2HB SER 20 2.235 2.922 3.504 121 HB3 SER 20 1HB SER 20 1.697 2.156 5.002 122 HG SER 20 HG SER 20 4.166 1.306 4.392 123 H CYS 21 H CYS 21 -0.051 -0.108 4.389 124 HA CYS 21 HA CYS 21 -1.590 -0.034 1.982 125 HB2 CYS 21 2HB CYS 21 -2.055 -1.748 3.641 126 HB3 CYS 21 1HB CYS 21 -2.431 -0.520 4.846 127 H SER 22 H SER 22 -2.414 1.715 1.138 128 HA SER 22 HA SER 22 -3.334 3.879 2.914 129 HB2 SER 22 2HB SER 22 -2.192 4.016 0.108 130 HB3 SER 22 1HB SER 22 -2.815 5.395 1.001 131 HG SER 22 HG SER 22 -1.089 4.183 2.577 132 H TRP 23 H TRP 23 -4.878 1.827 2.572 133 HA TRP 23 HA TRP 23 -6.464 0.967 0.803 134 HB2 TRP 23 2HB TRP 23 -6.892 0.883 3.279 135 HB3 TRP 23 1HB TRP 23 -7.786 2.393 3.105 136 HD1 TRP 23 HD TRP 23 -8.067 -1.335 2.492 137 HE1 TRP 23 1HE TRP 23 -10.453 -1.891 1.692 138 HE3 TRP 23 3HE TRP 23 -9.794 3.416 1.761 139 HZ2 TRP 23 2HZ TRP 23 -12.757 -0.479 0.832 140 HZ3 TRP 23 3HZ TRP 23 -12.084 3.732 0.937 141 HH2 TRP 23 HH TRP 23 -13.524 1.830 0.475 142 HA PRO 24 HA PRO 24 -7.900 0.321 -0.253 143 HB2 PRO 24 2HB PRO 24 -8.629 0.118 -2.801 144 HB3 PRO 24 1HB PRO 24 -9.790 0.582 -1.548 145 HG2 PRO 24 2HG PRO 24 -8.324 2.311 -3.507 146 HG3 PRO 24 1HG PRO 24 -10.026 2.377 -3.014 147 HD2 PRO 24 2HD PRO 24 -8.068 4.015 -1.995 148 HD3 PRO 24 1HD PRO 24 -9.567 3.587 -1.134 149 H ILE 25 H ILE 25 -5.810 2.577 -1.743 150 HA ILE 25 HA ILE 25 -4.385 0.439 -3.166 151 HB ILE 25 HB ILE 25 -3.962 3.417 -3.400 152 HG12 ILE 25 2HG1 ILE 25 -5.526 1.514 -5.156 153 HG13 ILE 25 1HG1 ILE 25 -6.192 2.823 -4.184 154 HG21 ILE 25 1HG2 ILE 25 -2.493 3.008 -5.136 155 HG22 ILE 25 2HG2 ILE 25 -3.114 1.381 -5.414 156 HG23 ILE 25 3HG2 ILE 25 -2.108 1.712 -4.004 157 HD11 ILE 25 3HD1 ILE 25 -5.777 3.097 -6.757 158 HD12 ILE 25 1HD1 ILE 25 -4.140 3.477 -6.223 159 HD13 ILE 25 2HD1 ILE 25 -5.503 4.434 -5.639 160 H CYS 26 H CYS 26 -2.133 0.129 -2.886 161 HA CYS 26 HA CYS 26 -1.202 0.892 -0.231 162 HB2 CYS 26 2HB CYS 26 0.094 -0.907 -2.292 163 HB3 CYS 26 1HB CYS 26 0.649 -0.655 -0.637 164 H MET 27 H MET 27 0.321 2.392 0.185 165 HA MET 27 HA MET 27 1.817 3.496 -2.097 166 HB2 MET 27 2HB MET 27 0.614 5.137 0.142 167 HB3 MET 27 1HB MET 27 1.573 5.751 -1.195 168 HG2 MET 27 2HG MET 27 -0.254 4.762 -2.691 169 HG3 MET 27 1HG MET 27 -1.212 4.670 -1.224 170 HE1 MET 27 3HE MET 27 -1.063 8.521 -0.158 171 HE2 MET 27 1HE MET 27 -0.191 7.081 0.367 172 HE3 MET 27 2HE MET 27 -1.947 7.038 0.206 173 H LYS 28 H LYS 28 3.868 4.091 -1.725 174 HA LYS 28 HA LYS 28 5.046 3.275 0.833 175 HB2 LYS 28 2HB LYS 28 6.238 2.154 -0.807 176 HB3 LYS 28 1HB LYS 28 6.048 3.453 -1.978 177 HG2 LYS 28 2HG LYS 28 7.958 4.436 -1.363 178 HG3 LYS 28 1HG LYS 28 7.644 4.190 0.357 179 HD2 LYS 28 2HD LYS 28 9.640 2.981 -0.452 180 HD3 LYS 28 1HD LYS 28 8.405 1.914 0.221 181 HE2 LYS 28 2HE LYS 28 7.612 1.504 -2.117 182 HE3 LYS 28 1HE LYS 28 9.022 2.400 -2.689 183 HZ1 LYS 28 3HZ LYS 28 8.842 -0.279 -1.684 184 HZ2 LYS 28 1HZ LYS 28 10.072 0.616 -0.933 185 HZ3 LYS 28 2HZ LYS 28 10.053 0.439 -2.621 186 H ASN 29 H ASN 29 5.068 4.927 2.205 187 HA ASN 29 HA ASN 29 5.351 6.991 3.108 188 HB2 ASN 29 2HB ASN 29 7.465 7.141 0.949 189 HB3 ASN 29 1HB ASN 29 7.303 8.310 2.256 190 HD21 ASN 29 1HD2 ASN 29 8.968 5.688 1.290 191 HD22 ASN 29 2HD2 ASN 29 9.445 5.050 2.821 Start of MODEL 16 1 H1 GLY 1 H GLY 1 3.415 6.953 1.055 2 HA2 GLY 1 2HA GLY 1 1.816 8.544 0.363 3 HA3 GLY 1 1HA GLY 1 3.115 9.695 0.090 4 H LEU 2 H LEU 2 4.566 7.411 -1.402 5 HA LEU 2 HA LEU 2 3.361 8.062 -3.968 6 HB2 LEU 2 2HB LEU 2 5.948 6.747 -3.197 7 HB3 LEU 2 1HB LEU 2 5.385 6.797 -4.856 8 HG LEU 2 HG LEU 2 6.881 8.575 -4.688 9 HD11 LEU 2 1HD1 LEU 2 4.245 9.067 -5.248 10 HD12 LEU 2 2HD1 LEU 2 5.601 10.138 -5.604 11 HD13 LEU 2 3HD1 LEU 2 4.666 10.360 -4.125 12 HD21 LEU 2 3HD2 LEU 2 6.224 10.336 -2.738 13 HD22 LEU 2 1HD2 LEU 2 7.476 9.102 -2.590 14 HD23 LEU 2 2HD2 LEU 2 5.860 8.801 -1.950 15 HA PRO 3 HA PRO 3 1.370 4.039 -3.874 16 HB2 PRO 3 2HB PRO 3 -0.315 4.462 -5.922 17 HB3 PRO 3 1HB PRO 3 -0.568 5.214 -4.342 18 HG2 PRO 3 2HG PRO 3 0.582 6.388 -6.839 19 HG3 PRO 3 1HG PRO 3 -0.532 7.116 -5.668 20 HD2 PRO 3 2HD PRO 3 2.183 7.580 -5.729 21 HD3 PRO 3 1HD PRO 3 1.167 7.772 -4.288 22 H THR 4 H THR 4 3.940 4.351 -5.098 23 HA THR 4 HA THR 4 3.772 3.253 -7.768 24 HB THR 4 HB THR 4 6.250 3.298 -7.659 25 HG1 THR 4 1HG THR 4 6.707 2.982 -5.515 26 HG21 THR 4 3HG2 THR 4 5.300 5.280 -8.488 27 HG22 THR 4 1HG2 THR 4 6.405 5.827 -7.225 28 HG23 THR 4 2HG2 THR 4 4.671 5.740 -6.905 29 H CYS 5 H CYS 5 2.786 1.752 -5.373 30 HA CYS 5 HA CYS 5 4.589 -0.519 -5.221 31 HB2 CYS 5 2HB CYS 5 1.906 -0.029 -3.914 32 HB3 CYS 5 1HB CYS 5 2.962 -1.399 -3.589 33 H GLY 6 H GLY 6 1.533 0.391 -6.648 34 HA2 GLY 6 2HA GLY 6 0.279 -0.615 -8.296 35 HA3 GLY 6 1HA GLY 6 1.635 -1.704 -8.564 36 H GLU 7 H GLU 7 -0.204 -1.202 -5.606 37 HA GLU 7 HA GLU 7 -1.399 -3.859 -5.861 38 HB2 GLU 7 2HB GLU 7 0.839 -3.706 -4.462 39 HB3 GLU 7 1HB GLU 7 -0.230 -3.054 -3.230 40 HG2 GLU 7 2HG GLU 7 -1.643 -5.208 -3.861 41 HG3 GLU 7 1HG GLU 7 -0.046 -5.794 -4.328 42 H THR 8 H THR 8 -3.285 -4.133 -4.616 43 HA THR 8 HA THR 8 -4.390 -1.647 -3.487 44 HB THR 8 HB THR 8 -5.976 -3.818 -4.875 45 HG1 THR 8 1HG THR 8 -4.407 -1.942 -5.946 46 HG21 THR 8 3HG2 THR 8 -7.607 -2.736 -3.729 47 HG22 THR 8 1HG2 THR 8 -7.457 -1.566 -5.039 48 HG23 THR 8 2HG2 THR 8 -6.632 -1.284 -3.506 49 H CYS 9 H CYS 9 -4.415 -1.899 -1.343 50 HA CYS 9 HA CYS 9 -4.798 -4.524 -0.172 51 HB2 CYS 9 2HB CYS 9 -4.410 -3.311 1.992 52 HB3 CYS 9 1HB CYS 9 -3.078 -3.243 0.858 53 H THR 10 H THR 10 -7.060 -4.316 -1.266 54 HA THR 10 HA THR 10 -9.059 -2.707 -0.163 55 HB THR 10 HB THR 10 -10.546 -4.761 -0.842 56 HG1 THR 10 1HG THR 10 -9.398 -6.052 -2.417 57 HG21 THR 10 3HG2 THR 10 -10.926 -3.427 -2.584 58 HG22 THR 10 1HG2 THR 10 -9.413 -3.941 -3.330 59 HG23 THR 10 2HG2 THR 10 -9.431 -2.561 -2.232 60 H LEU 11 H LEU 11 -7.677 -5.739 0.892 61 HA LEU 11 HA LEU 11 -9.570 -6.126 3.031 62 HB2 LEU 11 2HB LEU 11 -6.961 -7.522 2.432 63 HB3 LEU 11 1HB LEU 11 -8.115 -8.020 3.653 64 HG LEU 11 HG LEU 11 -8.628 -7.966 0.677 65 HD11 LEU 11 1HD1 LEU 11 -7.129 -9.742 1.143 66 HD12 LEU 11 2HD1 LEU 11 -8.735 -10.458 1.006 67 HD13 LEU 11 3HD1 LEU 11 -8.018 -10.201 2.596 68 HD21 LEU 11 3HD2 LEU 11 -10.443 -9.510 2.329 69 HD22 LEU 11 1HD2 LEU 11 -10.791 -8.308 1.086 70 HD23 LEU 11 2HD2 LEU 11 -10.463 -7.795 2.742 71 H GLY 12 H GLY 12 -6.616 -4.428 2.579 72 HA2 GLY 12 2HA GLY 12 -5.875 -2.800 4.146 73 HA3 GLY 12 1HA GLY 12 -6.600 -3.752 5.435 74 H THR 13 H THR 13 -4.470 -4.866 2.858 75 HA THR 13 HA THR 13 -2.181 -5.061 4.597 76 HB THR 13 HB THR 13 -3.643 -7.536 3.660 77 HG1 THR 13 1HG THR 13 -3.721 -6.242 5.918 78 HG21 THR 13 3HG2 THR 13 -1.676 -8.752 4.726 79 HG22 THR 13 1HG2 THR 13 -0.805 -7.223 4.613 80 HG23 THR 13 2HG2 THR 13 -1.389 -8.015 3.148 81 H CYS 14 H CYS 14 -0.389 -4.820 3.394 82 HA CYS 14 HA CYS 14 -0.590 -5.336 0.502 83 HB2 CYS 14 2HB CYS 14 1.340 -3.436 1.851 84 HB3 CYS 14 1HB CYS 14 1.019 -3.589 0.129 85 H TYR 15 H TYR 15 0.638 -6.963 -0.217 86 HA TYR 15 HA TYR 15 2.532 -8.185 1.593 87 HB2 TYR 15 2HB TYR 15 2.793 -9.910 -0.170 88 HB3 TYR 15 1HB TYR 15 1.125 -9.683 0.331 89 HD1 TYR 15 2HD TYR 15 3.543 -8.699 -2.327 90 HD2 TYR 15 1HD TYR 15 -0.526 -9.331 -1.257 91 HE1 TYR 15 2HE TYR 15 2.897 -8.398 -4.673 92 HE2 TYR 15 1HE TYR 15 -1.191 -9.043 -3.612 93 HH TYR 15 HH TYR 15 0.300 -7.602 -5.778 94 H VAL 16 H VAL 16 2.582 -5.975 -1.031 95 HA VAL 16 HA VAL 16 5.180 -6.365 -2.011 96 HB VAL 16 HB VAL 16 3.697 -3.733 -1.785 97 HG11 VAL 16 1HG1 VAL 16 5.525 -4.124 -4.027 98 HG12 VAL 16 2HG1 VAL 16 6.330 -4.123 -2.458 99 HG13 VAL 16 3HG1 VAL 16 5.341 -2.745 -2.943 100 HG21 VAL 16 3HG2 VAL 16 2.269 -4.961 -3.090 101 HG22 VAL 16 1HG2 VAL 16 3.555 -5.993 -3.718 102 HG23 VAL 16 2HG2 VAL 16 3.369 -4.347 -4.324 103 HA PRO 17 HA PRO 17 7.664 -5.571 1.529 104 HB2 PRO 17 2HB PRO 17 9.915 -4.802 0.049 105 HB3 PRO 17 1HB PRO 17 9.515 -6.435 0.586 106 HG2 PRO 17 2HG PRO 17 9.110 -5.159 -2.066 107 HG3 PRO 17 1HG PRO 17 9.468 -6.848 -1.670 108 HD2 PRO 17 2HD PRO 17 7.014 -6.036 -2.428 109 HD3 PRO 17 1HD PRO 17 7.246 -7.350 -1.257 110 H ASP 18 H ASP 18 7.756 -3.933 2.795 111 HA ASP 18 HA ASP 18 7.915 -1.884 3.702 112 HB2 ASP 18 2HB ASP 18 10.077 -1.940 2.351 113 HB3 ASP 18 1HB ASP 18 9.242 -0.924 1.177 114 H CYS 19 H CYS 19 5.813 -2.495 1.344 115 HA CYS 19 HA CYS 19 5.019 0.260 0.871 116 HB2 CYS 19 2HB CYS 19 4.119 -2.378 -0.209 117 HB3 CYS 19 1HB CYS 19 3.065 -0.972 -0.353 118 H SER 20 H SER 20 3.608 1.332 1.991 119 HA SER 20 HA SER 20 2.219 0.014 4.179 120 HB2 SER 20 2HB SER 20 2.329 2.958 3.481 121 HB3 SER 20 1HB SER 20 1.870 2.246 5.031 122 HG SER 20 HG SER 20 4.196 1.268 4.637 123 H CYS 21 H CYS 21 0.008 -0.119 4.375 124 HA CYS 21 HA CYS 21 -1.499 0.051 1.954 125 HB2 CYS 21 2HB CYS 21 -1.981 -1.726 3.542 126 HB3 CYS 21 1HB CYS 21 -2.377 -0.547 4.786 127 H SER 22 H SER 22 -2.253 1.864 1.163 128 HA SER 22 HA SER 22 -3.201 3.954 3.008 129 HB2 SER 22 2HB SER 22 -2.087 4.180 0.198 130 HB3 SER 22 1HB SER 22 -2.688 5.531 1.147 131 HG SER 22 HG SER 22 -0.970 4.321 2.684 132 H TRP 23 H TRP 23 -4.738 1.922 2.636 133 HA TRP 23 HA TRP 23 -6.323 1.072 0.875 134 HB2 TRP 23 2HB TRP 23 -6.766 0.993 3.352 135 HB3 TRP 23 1HB TRP 23 -7.670 2.495 3.164 136 HD1 TRP 23 HD TRP 23 -7.916 -1.239 2.549 137 HE1 TRP 23 1HE TRP 23 -10.289 -1.814 1.732 138 HE3 TRP 23 3HE TRP 23 -9.672 3.499 1.795 139 HZ2 TRP 23 2HZ TRP 23 -12.597 -0.421 0.850 140 HZ3 TRP 23 3HZ TRP 23 -11.957 3.795 0.952 141 HH2 TRP 23 HH TRP 23 -13.379 1.882 0.482 142 HA PRO 24 HA PRO 24 -7.738 0.423 -0.178 143 HB2 PRO 24 2HB PRO 24 -8.373 0.209 -2.763 144 HB3 PRO 24 1HB PRO 24 -9.578 0.644 -1.544 145 HG2 PRO 24 2HG PRO 24 -8.090 2.413 -3.449 146 HG3 PRO 24 1HG PRO 24 -9.804 2.445 -2.999 147 HD2 PRO 24 2HD PRO 24 -7.910 4.115 -1.921 148 HD3 PRO 24 1HD PRO 24 -9.418 3.647 -1.098 149 H ILE 25 H ILE 25 -5.790 2.701 -1.988 150 HA ILE 25 HA ILE 25 -4.205 0.570 -3.186 151 HB ILE 25 HB ILE 25 -3.770 3.544 -3.388 152 HG12 ILE 25 2HG1 ILE 25 -5.315 1.668 -5.190 153 HG13 ILE 25 1HG1 ILE 25 -5.988 2.980 -4.227 154 HG21 ILE 25 1HG2 ILE 25 -2.579 1.166 -4.732 155 HG22 ILE 25 2HG2 ILE 25 -1.794 2.616 -4.110 156 HG23 ILE 25 3HG2 ILE 25 -2.712 2.686 -5.614 157 HD11 ILE 25 3HD1 ILE 25 -5.531 3.277 -6.780 158 HD12 ILE 25 1HD1 ILE 25 -3.887 3.602 -6.230 159 HD13 ILE 25 2HD1 ILE 25 -5.224 4.595 -5.648 160 H CYS 26 H CYS 26 -2.004 0.230 -2.832 161 HA CYS 26 HA CYS 26 -1.096 0.992 -0.170 162 HB2 CYS 26 2HB CYS 26 0.226 -0.810 -2.213 163 HB3 CYS 26 1HB CYS 26 0.731 -0.587 -0.540 164 H MET 27 H MET 27 0.499 2.440 0.252 165 HA MET 27 HA MET 27 1.958 3.570 -2.045 166 HB2 MET 27 2HB MET 27 0.830 5.197 0.240 167 HB3 MET 27 1HB MET 27 1.692 5.810 -1.162 168 HG2 MET 27 2HG MET 27 -0.153 5.029 -2.594 169 HG3 MET 27 1HG MET 27 -1.014 4.505 -1.158 170 HE1 MET 27 3HE MET 27 -3.091 7.625 -2.212 171 HE2 MET 27 1HE MET 27 -3.133 5.912 -1.796 172 HE3 MET 27 2HE MET 27 -2.339 6.440 -3.279 173 H LYS 28 H LYS 28 4.029 4.198 -1.682 174 HA LYS 28 HA LYS 28 5.170 3.478 0.933 175 HB2 LYS 28 2HB LYS 28 6.219 2.125 -0.697 176 HB3 LYS 28 1HB LYS 28 6.290 3.437 -1.863 177 HG2 LYS 28 2HG LYS 28 8.487 3.224 -1.208 178 HG3 LYS 28 1HG LYS 28 7.918 4.529 -0.172 179 HD2 LYS 28 2HD LYS 28 7.919 1.656 0.715 180 HD3 LYS 28 1HD LYS 28 9.323 2.701 0.913 181 HE2 LYS 28 2HE LYS 28 7.914 4.272 2.211 182 HE3 LYS 28 1HE LYS 28 6.574 3.134 2.078 183 HZ1 LYS 28 3HZ LYS 28 7.489 1.740 3.579 184 HZ2 LYS 28 1HZ LYS 28 8.250 3.150 4.125 185 HZ3 LYS 28 2HZ LYS 28 9.082 2.070 3.116 186 H ASN 29 H ASN 29 5.162 5.274 2.100 187 HA ASN 29 HA ASN 29 5.588 7.376 2.832 188 HB2 ASN 29 2HB ASN 29 7.538 7.561 0.522 189 HB3 ASN 29 1HB ASN 29 7.499 8.599 1.941 190 HD21 ASN 29 1HD2 ASN 29 9.377 6.494 0.665 191 HD22 ASN 29 2HD2 ASN 29 9.912 5.589 2.035 Start of MODEL 17 1 H1 GLY 1 H GLY 1 3.484 6.934 1.073 2 HA2 GLY 1 2HA GLY 1 1.894 8.538 0.395 3 HA3 GLY 1 1HA GLY 1 3.198 9.678 0.112 4 H LEU 2 H LEU 2 4.623 7.396 -1.397 5 HA LEU 2 HA LEU 2 3.390 8.048 -3.948 6 HB2 LEU 2 2HB LEU 2 5.987 6.733 -3.210 7 HB3 LEU 2 1HB LEU 2 5.406 6.792 -4.861 8 HG LEU 2 HG LEU 2 6.901 8.570 -4.704 9 HD11 LEU 2 1HD1 LEU 2 5.535 10.603 -4.881 10 HD12 LEU 2 2HD1 LEU 2 4.157 9.708 -4.242 11 HD13 LEU 2 3HD1 LEU 2 4.865 9.248 -5.790 12 HD21 LEU 2 3HD2 LEU 2 7.423 8.838 -2.472 13 HD22 LEU 2 1HD2 LEU 2 5.735 9.014 -1.992 14 HD23 LEU 2 2HD2 LEU 2 6.556 10.330 -2.833 15 HA PRO 3 HA PRO 3 1.401 4.024 -3.836 16 HB2 PRO 3 2HB PRO 3 -0.303 4.449 -5.868 17 HB3 PRO 3 1HB PRO 3 -0.542 5.199 -4.285 18 HG2 PRO 3 2HG PRO 3 0.581 6.378 -6.791 19 HG3 PRO 3 1HG PRO 3 -0.519 7.104 -5.606 20 HD2 PRO 3 2HD PRO 3 2.195 7.567 -5.698 21 HD3 PRO 3 1HD PRO 3 1.195 7.758 -4.246 22 H THR 4 H THR 4 3.959 4.339 -5.089 23 HA THR 4 HA THR 4 3.760 3.231 -7.754 24 HB THR 4 HB THR 4 6.238 3.298 -7.682 25 HG1 THR 4 1HG THR 4 6.712 2.975 -5.536 26 HG21 THR 4 3HG2 THR 4 6.387 5.826 -7.257 27 HG22 THR 4 1HG2 THR 4 4.663 5.734 -6.892 28 HG23 THR 4 2HG2 THR 4 5.253 5.276 -8.492 29 H CYS 5 H CYS 5 2.787 1.721 -5.385 30 HA CYS 5 HA CYS 5 4.622 -0.520 -5.195 31 HB2 CYS 5 2HB CYS 5 1.914 -0.059 -3.929 32 HB3 CYS 5 1HB CYS 5 2.979 -1.416 -3.584 33 H GLY 6 H GLY 6 1.568 0.324 -6.675 34 HA2 GLY 6 2HA GLY 6 0.369 -0.716 -8.345 35 HA3 GLY 6 1HA GLY 6 1.738 -1.802 -8.560 36 H GLU 7 H GLU 7 -0.193 -1.243 -5.670 37 HA GLU 7 HA GLU 7 -1.372 -3.906 -5.887 38 HB2 GLU 7 2HB GLU 7 0.852 -3.723 -4.455 39 HB3 GLU 7 1HB GLU 7 -0.248 -3.072 -3.249 40 HG2 GLU 7 2HG GLU 7 -1.635 -5.233 -3.876 41 HG3 GLU 7 1HG GLU 7 -0.034 -5.817 -4.338 42 H THR 8 H THR 8 -3.217 -4.185 -4.510 43 HA THR 8 HA THR 8 -4.333 -1.673 -3.464 44 HB THR 8 HB THR 8 -5.904 -3.824 -4.901 45 HG1 THR 8 1HG THR 8 -4.378 -1.824 -5.872 46 HG21 THR 8 3HG2 THR 8 -7.501 -1.732 -5.023 47 HG22 THR 8 1HG2 THR 8 -6.600 -1.234 -3.590 48 HG23 THR 8 2HG2 THR 8 -7.477 -2.764 -3.594 49 H CYS 9 H CYS 9 -4.395 -1.918 -1.325 50 HA CYS 9 HA CYS 9 -4.800 -4.538 -0.151 51 HB2 CYS 9 2HB CYS 9 -4.438 -3.310 2.014 52 HB3 CYS 9 1HB CYS 9 -3.089 -3.264 0.898 53 H THR 10 H THR 10 -7.051 -4.338 -1.260 54 HA THR 10 HA THR 10 -9.056 -2.712 -0.188 55 HB THR 10 HB THR 10 -10.542 -4.770 -0.867 56 HG1 THR 10 1HG THR 10 -9.376 -6.067 -2.428 57 HG21 THR 10 3HG2 THR 10 -9.807 -2.520 -2.131 58 HG22 THR 10 1HG2 THR 10 -10.814 -3.757 -2.885 59 HG23 THR 10 2HG2 THR 10 -9.082 -3.709 -3.213 60 H LEU 11 H LEU 11 -7.699 -5.749 0.900 61 HA LEU 11 HA LEU 11 -9.612 -6.108 3.026 62 HB2 LEU 11 2HB LEU 11 -7.007 -7.523 2.456 63 HB3 LEU 11 1HB LEU 11 -8.167 -8.003 3.679 64 HG LEU 11 HG LEU 11 -8.661 -7.989 0.698 65 HD11 LEU 11 1HD1 LEU 11 -8.428 -10.305 0.726 66 HD12 LEU 11 2HD1 LEU 11 -8.553 -10.394 2.483 67 HD13 LEU 11 3HD1 LEU 11 -7.095 -9.741 1.734 68 HD21 LEU 11 3HD2 LEU 11 -10.765 -7.635 1.577 69 HD22 LEU 11 1HD2 LEU 11 -10.411 -8.518 3.062 70 HD23 LEU 11 2HD2 LEU 11 -10.681 -9.396 1.556 71 H GLY 12 H GLY 12 -6.645 -4.435 2.586 72 HA2 GLY 12 2HA GLY 12 -5.915 -2.796 4.153 73 HA3 GLY 12 1HA GLY 12 -6.637 -3.752 5.441 74 H THR 13 H THR 13 -4.509 -4.870 2.865 75 HA THR 13 HA THR 13 -2.215 -5.049 4.596 76 HB THR 13 HB THR 13 -3.685 -7.532 3.696 77 HG1 THR 13 1HG THR 13 -3.727 -6.220 5.941 78 HG21 THR 13 3HG2 THR 13 -0.831 -7.225 4.611 79 HG22 THR 13 1HG2 THR 13 -1.431 -8.008 3.148 80 HG23 THR 13 2HG2 THR 13 -1.706 -8.751 4.726 81 H CYS 14 H CYS 14 -0.429 -4.805 3.389 82 HA CYS 14 HA CYS 14 -0.632 -5.334 0.500 83 HB2 CYS 14 2HB CYS 14 1.304 -3.443 1.855 84 HB3 CYS 14 1HB CYS 14 1.000 -3.602 0.128 85 H TYR 15 H TYR 15 0.588 -6.972 -0.220 86 HA TYR 15 HA TYR 15 2.469 -8.202 1.596 87 HB2 TYR 15 2HB TYR 15 2.727 -9.931 -0.164 88 HB3 TYR 15 1HB TYR 15 1.059 -9.695 0.333 89 HD1 TYR 15 1HD TYR 15 3.484 -8.699 -2.318 90 HD2 TYR 15 2HD TYR 15 -0.584 -9.359 -1.261 91 HE1 TYR 15 1HE TYR 15 2.840 -8.381 -4.662 92 HE2 TYR 15 2HE TYR 15 -1.246 -9.050 -3.614 93 HH TYR 15 HH TYR 15 0.281 -7.580 -5.772 94 H VAL 16 H VAL 16 2.536 -6.002 -1.040 95 HA VAL 16 HA VAL 16 5.137 -6.400 -2.005 96 HB VAL 16 HB VAL 16 3.651 -3.768 -1.789 97 HG11 VAL 16 1HG1 VAL 16 5.317 -2.767 -2.901 98 HG12 VAL 16 2HG1 VAL 16 5.521 -4.133 -3.997 99 HG13 VAL 16 3HG1 VAL 16 6.299 -4.148 -2.415 100 HG21 VAL 16 3HG2 VAL 16 3.368 -4.359 -4.332 101 HG22 VAL 16 1HG2 VAL 16 2.258 -5.011 -3.126 102 HG23 VAL 16 2HG2 VAL 16 3.571 -6.011 -3.750 103 HA PRO 17 HA PRO 17 7.592 -5.622 1.559 104 HB2 PRO 17 2HB PRO 17 9.874 -4.908 0.111 105 HB3 PRO 17 1HB PRO 17 9.428 -6.533 0.631 106 HG2 PRO 17 2HG PRO 17 9.072 -5.226 -2.016 107 HG3 PRO 17 1HG PRO 17 9.415 -6.922 -1.634 108 HD2 PRO 17 2HD PRO 17 6.974 -6.097 -2.404 109 HD3 PRO 17 1HD PRO 17 7.186 -7.408 -1.227 110 H ASP 18 H ASP 18 7.737 -3.979 2.817 111 HA ASP 18 HA ASP 18 7.940 -1.927 3.709 112 HB2 ASP 18 2HB ASP 18 10.080 -2.021 2.322 113 HB3 ASP 18 1HB ASP 18 9.241 -0.994 1.160 114 H CYS 19 H CYS 19 5.823 -2.511 1.333 115 HA CYS 19 HA CYS 19 5.044 0.251 0.892 116 HB2 CYS 19 2HB CYS 19 4.132 -2.371 -0.213 117 HB3 CYS 19 1HB CYS 19 3.079 -0.962 -0.337 118 H SER 20 H SER 20 3.629 1.323 2.010 119 HA SER 20 HA SER 20 2.234 0.002 4.192 120 HB2 SER 20 2HB SER 20 2.352 2.948 3.500 121 HB3 SER 20 1HB SER 20 1.887 2.233 5.047 122 HG SER 20 HG SER 20 4.214 1.252 4.653 123 H CYS 21 H CYS 21 0.023 -0.128 4.383 124 HA CYS 21 HA CYS 21 -1.479 0.052 1.958 125 HB2 CYS 21 2HB CYS 21 -1.972 -1.731 3.533 126 HB3 CYS 21 1HB CYS 21 -2.359 -0.558 4.787 127 H SER 22 H SER 22 -2.269 1.846 1.171 128 HA SER 22 HA SER 22 -3.209 3.939 3.019 129 HB2 SER 22 2HB SER 22 -2.079 4.172 0.214 130 HB3 SER 22 1HB SER 22 -2.694 5.519 1.160 131 HG SER 22 HG SER 22 -0.981 4.317 2.709 132 H TRP 23 H TRP 23 -4.744 1.907 2.632 133 HA TRP 23 HA TRP 23 -6.323 1.059 0.870 134 HB2 TRP 23 2HB TRP 23 -6.782 0.986 3.341 135 HB3 TRP 23 1HB TRP 23 -7.678 2.492 3.148 136 HD1 TRP 23 HD TRP 23 -7.940 -1.240 2.538 137 HE1 TRP 23 1HE TRP 23 -10.312 -1.803 1.710 138 HE3 TRP 23 3HE TRP 23 -9.664 3.505 1.759 139 HZ2 TRP 23 2HZ TRP 23 -12.607 -0.400 0.810 140 HZ3 TRP 23 3HZ TRP 23 -11.942 3.813 0.900 141 HH2 TRP 23 HH TRP 23 -13.372 1.906 0.428 142 HA PRO 24 HA PRO 24 -7.705 0.408 -0.200 143 HB2 PRO 24 2HB PRO 24 -8.335 0.186 -2.784 144 HB3 PRO 24 1HB PRO 24 -9.545 0.619 -1.570 145 HG2 PRO 24 2HG PRO 24 -8.062 2.387 -3.479 146 HG3 PRO 24 1HG PRO 24 -9.777 2.417 -3.027 147 HD2 PRO 24 2HD PRO 24 -7.875 4.091 -1.958 148 HD3 PRO 24 1HD PRO 24 -9.390 3.636 -1.139 149 H ILE 25 H ILE 25 -5.778 2.702 -2.012 150 HA ILE 25 HA ILE 25 -4.173 0.594 -3.217 151 HB ILE 25 HB ILE 25 -3.750 3.574 -3.376 152 HG12 ILE 25 2HG1 ILE 25 -5.271 1.712 -5.213 153 HG13 ILE 25 1HG1 ILE 25 -5.956 3.011 -4.241 154 HG21 ILE 25 1HG2 ILE 25 -1.837 2.007 -3.942 155 HG22 ILE 25 2HG2 ILE 25 -2.309 3.159 -5.191 156 HG23 ILE 25 3HG2 ILE 25 -2.815 1.475 -5.310 157 HD11 ILE 25 3HD1 ILE 25 -5.185 4.645 -5.640 158 HD12 ILE 25 1HD1 ILE 25 -5.483 3.339 -6.787 159 HD13 ILE 25 2HD1 ILE 25 -3.842 3.662 -6.223 160 H CYS 26 H CYS 26 -1.970 0.261 -2.856 161 HA CYS 26 HA CYS 26 -1.084 0.996 -0.178 162 HB2 CYS 26 2HB CYS 26 0.248 -0.802 -2.219 163 HB3 CYS 26 1HB CYS 26 0.737 -0.590 -0.538 164 H MET 27 H MET 27 0.517 2.435 0.263 165 HA MET 27 HA MET 27 1.981 3.578 -2.025 166 HB2 MET 27 2HB MET 27 0.867 5.185 0.282 167 HB3 MET 27 1HB MET 27 1.730 5.810 -1.115 168 HG2 MET 27 2HG MET 27 -0.121 5.045 -2.552 169 HG3 MET 27 1HG MET 27 -0.982 4.520 -1.115 170 HE1 MET 27 3HE MET 27 -2.282 6.507 -3.245 171 HE2 MET 27 1HE MET 27 -3.049 7.648 -2.140 172 HE3 MET 27 2HE MET 27 -3.075 5.921 -1.783 173 H LYS 28 H LYS 28 4.055 4.184 -1.667 174 HA LYS 28 HA LYS 28 5.205 3.442 0.938 175 HB2 LYS 28 2HB LYS 28 6.220 2.077 -0.704 176 HB3 LYS 28 1HB LYS 28 6.309 3.391 -1.865 177 HG2 LYS 28 2HG LYS 28 8.505 3.135 -1.217 178 HG3 LYS 28 1HG LYS 28 7.961 4.449 -0.176 179 HD2 LYS 28 2HD LYS 28 7.879 1.584 0.719 180 HD3 LYS 28 1HD LYS 28 9.335 2.561 0.881 181 HE2 LYS 28 2HE LYS 28 8.014 4.210 2.186 182 HE3 LYS 28 1HE LYS 28 6.634 3.117 2.101 183 HZ1 LYS 28 3HZ LYS 28 7.552 1.694 3.581 184 HZ2 LYS 28 1HZ LYS 28 8.335 3.097 4.114 185 HZ3 LYS 28 2HZ LYS 28 9.145 2.005 3.099 186 H ASN 29 H ASN 29 5.216 5.244 2.101 187 HA ASN 29 HA ASN 29 5.679 7.338 2.829 188 HB2 ASN 29 2HB ASN 29 7.608 7.494 0.498 189 HB3 ASN 29 1HB ASN 29 7.591 8.545 1.908 190 HD21 ASN 29 1HD2 ASN 29 9.427 6.398 0.627 191 HD22 ASN 29 2HD2 ASN 29 9.973 5.506 2.002 Start of MODEL 18 1 H1 GLY 1 H GLY 1 3.309 6.852 1.121 2 HA2 GLY 1 2HA GLY 1 1.705 8.423 0.404 3 HA3 GLY 1 1HA GLY 1 2.987 9.603 0.191 4 H LEU 2 H LEU 2 4.509 7.335 -1.285 5 HA LEU 2 HA LEU 2 3.397 8.031 -3.880 6 HB2 LEU 2 2HB LEU 2 5.955 6.701 -3.040 7 HB3 LEU 2 1HB LEU 2 5.450 6.777 -4.717 8 HG LEU 2 HG LEU 2 6.940 8.552 -4.468 9 HD11 LEU 2 1HD1 LEU 2 4.181 9.694 -4.130 10 HD12 LEU 2 2HD1 LEU 2 4.954 9.233 -5.647 11 HD13 LEU 2 3HD1 LEU 2 5.591 10.583 -4.707 12 HD21 LEU 2 3HD2 LEU 2 7.171 8.604 -2.080 13 HD22 LEU 2 1HD2 LEU 2 5.535 9.239 -1.898 14 HD23 LEU 2 2HD2 LEU 2 6.786 10.228 -2.652 15 HA PRO 3 HA PRO 3 1.394 4.015 -3.922 16 HB2 PRO 3 2HB PRO 3 -0.216 4.476 -6.019 17 HB3 PRO 3 1HB PRO 3 -0.522 5.204 -4.437 18 HG2 PRO 3 2HG PRO 3 0.716 6.415 -6.873 19 HG3 PRO 3 1HG PRO 3 -0.435 7.127 -5.729 20 HD2 PRO 3 2HD PRO 3 2.282 7.583 -5.690 21 HD3 PRO 3 1HD PRO 3 1.218 7.754 -4.281 22 H THR 4 H THR 4 4.009 4.320 -5.046 23 HA THR 4 HA THR 4 3.920 3.259 -7.738 24 HB THR 4 HB THR 4 6.395 3.294 -7.549 25 HG1 THR 4 1HG THR 4 6.785 2.952 -5.398 26 HG21 THR 4 3HG2 THR 4 6.539 5.822 -7.071 27 HG22 THR 4 1HG2 THR 4 4.794 5.732 -6.825 28 HG23 THR 4 2HG2 THR 4 5.490 5.292 -8.387 29 H CYS 5 H CYS 5 2.875 1.748 -5.358 30 HA CYS 5 HA CYS 5 4.660 -0.537 -5.193 31 HB2 CYS 5 2HB CYS 5 1.954 -0.057 -3.931 32 HB3 CYS 5 1HB CYS 5 3.026 -1.406 -3.577 33 H GLY 6 H GLY 6 1.606 0.384 -6.633 34 HA2 GLY 6 2HA GLY 6 0.381 -0.605 -8.314 35 HA3 GLY 6 1HA GLY 6 1.726 -1.717 -8.552 36 H GLU 7 H GLU 7 -0.080 -1.193 -5.588 37 HA GLU 7 HA GLU 7 -1.374 -3.801 -5.862 38 HB2 GLU 7 2HB GLU 7 0.857 -3.844 -4.510 39 HB3 GLU 7 1HB GLU 7 -0.074 -3.025 -3.266 40 HG2 GLU 7 2HG GLU 7 -1.738 -4.945 -3.492 41 HG3 GLU 7 1HG GLU 7 -0.463 -5.777 -4.380 42 H THR 8 H THR 8 -3.275 -4.003 -4.644 43 HA THR 8 HA THR 8 -4.216 -1.510 -3.408 44 HB THR 8 HB THR 8 -5.417 -1.739 -5.469 45 HG1 THR 8 1HG THR 8 -6.591 -1.429 -3.297 46 HG21 THR 8 3HG2 THR 8 -5.186 -4.528 -4.999 47 HG22 THR 8 1HG2 THR 8 -5.796 -3.704 -6.434 48 HG23 THR 8 2HG2 THR 8 -6.902 -4.142 -5.132 49 H CYS 9 H CYS 9 -4.399 -1.775 -1.304 50 HA CYS 9 HA CYS 9 -4.769 -4.429 -0.201 51 HB2 CYS 9 2HB CYS 9 -4.422 -3.278 1.994 52 HB3 CYS 9 1HB CYS 9 -3.079 -3.146 0.876 53 H THR 10 H THR 10 -7.010 -4.156 -1.369 54 HA THR 10 HA THR 10 -9.043 -2.624 -0.221 55 HB THR 10 HB THR 10 -10.511 -4.613 -1.068 56 HG1 THR 10 1HG THR 10 -9.017 -5.598 -2.844 57 HG21 THR 10 3HG2 THR 10 -9.795 -3.872 -3.515 58 HG22 THR 10 1HG2 THR 10 -8.905 -2.645 -2.614 59 HG23 THR 10 2HG2 THR 10 -10.654 -2.779 -2.429 60 H LEU 11 H LEU 11 -7.668 -5.712 0.669 61 HA LEU 11 HA LEU 11 -9.589 -6.232 2.756 62 HB2 LEU 11 2HB LEU 11 -6.971 -7.590 2.107 63 HB3 LEU 11 1HB LEU 11 -8.151 -8.167 3.267 64 HG LEU 11 HG LEU 11 -8.608 -7.909 0.293 65 HD11 LEU 11 1HD1 LEU 11 -7.054 -9.703 0.841 66 HD12 LEU 11 2HD1 LEU 11 -8.604 -10.352 0.306 67 HD13 LEU 11 3HD1 LEU 11 -8.196 -10.345 2.021 68 HD21 LEU 11 3HD2 LEU 11 -10.712 -9.008 0.680 69 HD22 LEU 11 1HD2 LEU 11 -10.629 -7.566 1.694 70 HD23 LEU 11 2HD2 LEU 11 -10.364 -9.159 2.402 71 H GLY 12 H GLY 12 -6.605 -4.542 2.442 72 HA2 GLY 12 2HA GLY 12 -5.899 -3.003 4.124 73 HA3 GLY 12 1HA GLY 12 -6.617 -4.051 5.339 74 H THR 13 H THR 13 -4.444 -4.918 2.694 75 HA THR 13 HA THR 13 -2.174 -5.238 4.439 76 HB THR 13 HB THR 13 -3.586 -7.643 3.269 77 HG1 THR 13 1HG THR 13 -3.716 -6.551 5.629 78 HG21 THR 13 3HG2 THR 13 -0.770 -7.388 4.313 79 HG22 THR 13 1HG2 THR 13 -1.303 -8.023 2.753 80 HG23 THR 13 2HG2 THR 13 -1.624 -8.930 4.234 81 H CYS 14 H CYS 14 -0.319 -5.013 3.290 82 HA CYS 14 HA CYS 14 -0.501 -5.244 0.361 83 HB2 CYS 14 2HB CYS 14 1.294 -3.378 1.931 84 HB3 CYS 14 1HB CYS 14 1.147 -3.464 0.178 85 H TYR 15 H TYR 15 0.708 -6.829 -0.427 86 HA TYR 15 HA TYR 15 2.622 -8.135 1.293 87 HB2 TYR 15 2HB TYR 15 2.849 -9.789 -0.510 88 HB3 TYR 15 1HB TYR 15 1.172 -9.527 -0.059 89 HD1 TYR 15 2HD TYR 15 3.703 -8.469 -2.588 90 HD2 TYR 15 1HD TYR 15 -0.403 -9.139 -1.706 91 HE1 TYR 15 2HE TYR 15 3.151 -8.082 -4.946 92 HE2 TYR 15 1HE TYR 15 -0.973 -8.770 -4.074 93 HH TYR 15 HH TYR 15 0.639 -7.251 -6.138 94 H VAL 16 H VAL 16 2.717 -5.833 -1.298 95 HA VAL 16 HA VAL 16 5.345 -6.276 -2.200 96 HB VAL 16 HB VAL 16 3.814 -3.665 -2.100 97 HG11 VAL 16 1HG1 VAL 16 5.449 -3.104 -4.006 98 HG12 VAL 16 2HG1 VAL 16 6.447 -4.398 -3.342 99 HG13 VAL 16 3HG1 VAL 16 6.041 -2.999 -2.348 100 HG21 VAL 16 3HG2 VAL 16 2.630 -4.544 -3.765 101 HG22 VAL 16 1HG2 VAL 16 3.632 -5.995 -3.775 102 HG23 VAL 16 2HG2 VAL 16 4.108 -4.589 -4.727 103 HA PRO 17 HA PRO 17 7.846 -5.605 1.362 104 HB2 PRO 17 2HB PRO 17 9.680 -4.600 -0.770 105 HB3 PRO 17 1HB PRO 17 10.000 -5.730 0.549 106 HG2 PRO 17 2HG PRO 17 9.606 -6.589 -1.951 107 HG3 PRO 17 1HG PRO 17 9.019 -7.504 -0.551 108 HD2 PRO 17 2HD PRO 17 7.499 -5.921 -2.539 109 HD3 PRO 17 1HD PRO 17 6.977 -7.286 -1.535 110 H ASP 18 H ASP 18 7.796 -4.022 2.720 111 HA ASP 18 HA ASP 18 7.854 -2.018 3.736 112 HB2 ASP 18 2HB ASP 18 10.068 -1.961 2.485 113 HB3 ASP 18 1HB ASP 18 9.263 -0.920 1.310 114 H CYS 19 H CYS 19 5.816 -2.549 1.323 115 HA CYS 19 HA CYS 19 5.022 0.216 0.916 116 HB2 CYS 19 2HB CYS 19 4.153 -2.390 -0.260 117 HB3 CYS 19 1HB CYS 19 3.088 -0.988 -0.371 118 H SER 20 H SER 20 3.591 1.253 2.029 119 HA SER 20 HA SER 20 2.189 -0.107 4.179 120 HB2 SER 20 2HB SER 20 2.285 2.848 3.518 121 HB3 SER 20 1HB SER 20 1.810 2.114 5.054 122 HG SER 20 HG SER 20 4.142 1.154 4.695 123 H CYS 21 H CYS 21 -0.034 -0.130 4.434 124 HA CYS 21 HA CYS 21 -1.541 -0.036 2.001 125 HB2 CYS 21 2HB CYS 21 -2.037 -1.769 3.629 126 HB3 CYS 21 1HB CYS 21 -2.406 -0.557 4.852 127 H SER 22 H SER 22 -2.212 1.793 1.167 128 HA SER 22 HA SER 22 -3.188 3.912 2.968 129 HB2 SER 22 2HB SER 22 -2.042 4.092 0.166 130 HB3 SER 22 1HB SER 22 -2.644 5.460 1.093 131 HG SER 22 HG SER 22 -0.968 4.315 2.685 132 H TRP 23 H TRP 23 -4.754 1.902 2.624 133 HA TRP 23 HA TRP 23 -6.333 1.059 0.829 134 HB2 TRP 23 2HB TRP 23 -6.772 0.943 3.302 135 HB3 TRP 23 1HB TRP 23 -7.650 2.464 3.150 136 HD1 TRP 23 HD TRP 23 -7.974 -1.252 2.482 137 HE1 TRP 23 1HE TRP 23 -10.363 -1.769 1.669 138 HE3 TRP 23 3HE TRP 23 -9.644 3.529 1.818 139 HZ2 TRP 23 2HZ TRP 23 -12.650 -0.318 0.829 140 HZ3 TRP 23 3HZ TRP 23 -11.929 3.883 0.997 141 HH2 TRP 23 HH TRP 23 -13.391 2.005 0.506 142 HA PRO 24 HA PRO 24 -7.790 0.438 -0.224 143 HB2 PRO 24 2HB PRO 24 -8.508 0.270 -2.783 144 HB3 PRO 24 1HB PRO 24 -9.669 0.729 -1.529 145 HG2 PRO 24 2HG PRO 24 -8.180 2.468 -3.461 146 HG3 PRO 24 1HG PRO 24 -9.883 2.545 -2.970 147 HD2 PRO 24 2HD PRO 24 -7.911 4.152 -1.929 148 HD3 PRO 24 1HD PRO 24 -9.415 3.728 -1.075 149 H ILE 25 H ILE 25 -5.685 2.688 -1.738 150 HA ILE 25 HA ILE 25 -4.275 0.540 -3.157 151 HB ILE 25 HB ILE 25 -3.796 3.511 -3.347 152 HG12 ILE 25 2HG1 ILE 25 -5.401 1.665 -5.126 153 HG13 ILE 25 1HG1 ILE 25 -6.039 2.973 -4.136 154 HG21 ILE 25 1HG2 ILE 25 -2.202 3.109 -4.890 155 HG22 ILE 25 2HG2 ILE 25 -3.025 1.686 -5.528 156 HG23 ILE 25 3HG2 ILE 25 -2.080 1.567 -4.043 157 HD11 ILE 25 3HD1 ILE 25 -5.281 4.597 -5.558 158 HD12 ILE 25 1HD1 ILE 25 -5.655 3.298 -6.691 159 HD13 ILE 25 2HD1 ILE 25 -3.986 3.583 -6.196 160 H CYS 26 H CYS 26 -2.043 0.174 -2.878 161 HA CYS 26 HA CYS 26 -1.083 0.873 -0.220 162 HB2 CYS 26 2HB CYS 26 0.187 -0.886 -2.332 163 HB3 CYS 26 1HB CYS 26 0.742 -0.685 -0.671 164 H MET 27 H MET 27 0.498 2.320 0.219 165 HA MET 27 HA MET 27 1.979 3.476 -2.047 166 HB2 MET 27 2HB MET 27 0.773 5.104 0.197 167 HB3 MET 27 1HB MET 27 1.665 5.718 -1.185 168 HG2 MET 27 2HG MET 27 -0.134 4.915 -2.660 169 HG3 MET 27 1HG MET 27 -1.026 4.381 -1.245 170 HE1 MET 27 3HE MET 27 -2.828 7.484 -2.835 171 HE2 MET 27 1HE MET 27 -3.347 6.237 -1.702 172 HE3 MET 27 2HE MET 27 -2.420 5.795 -3.135 173 H LYS 28 H LYS 28 4.036 4.120 -1.629 174 HA LYS 28 HA LYS 28 5.111 3.408 1.014 175 HB2 LYS 28 2HB LYS 28 6.227 2.093 -0.605 176 HB3 LYS 28 1HB LYS 28 6.318 3.425 -1.747 177 HG2 LYS 28 2HG LYS 28 8.494 3.231 -1.022 178 HG3 LYS 28 1HG LYS 28 7.872 4.511 0.015 179 HD2 LYS 28 2HD LYS 28 7.881 1.625 0.859 180 HD3 LYS 28 1HD LYS 28 9.268 2.681 1.114 181 HE2 LYS 28 2HE LYS 28 7.806 4.219 2.392 182 HE3 LYS 28 1HE LYS 28 6.480 3.071 2.198 183 HZ1 LYS 28 3HZ LYS 28 8.969 2.021 3.302 184 HZ2 LYS 28 1HZ LYS 28 7.364 1.656 3.701 185 HZ3 LYS 28 2HZ LYS 28 8.080 3.066 4.301 186 H ASN 29 H ASN 29 5.054 5.189 2.203 187 HA ASN 29 HA ASN 29 5.427 7.289 2.969 188 HB2 ASN 29 2HB ASN 29 7.430 7.527 0.710 189 HB3 ASN 29 1HB ASN 29 7.342 8.550 2.139 190 HD21 ASN 29 1HD2 ASN 29 9.279 6.482 0.885 191 HD22 ASN 29 2HD2 ASN 29 9.794 5.570 2.259 Start of MODEL 19 1 H1 GLY 1 H GLY 1 3.242 6.897 1.188 2 HA2 GLY 1 2HA GLY 1 1.661 8.471 0.421 3 HA3 GLY 1 1HA GLY 1 2.953 9.647 0.247 4 H LEU 2 H LEU 2 4.526 7.400 -1.186 5 HA LEU 2 HA LEU 2 3.479 8.079 -3.813 6 HB2 LEU 2 2HB LEU 2 6.027 6.784 -2.891 7 HB3 LEU 2 1HB LEU 2 5.572 6.840 -4.583 8 HG LEU 2 HG LEU 2 7.032 8.635 -4.302 9 HD11 LEU 2 1HD1 LEU 2 5.665 10.644 -4.609 10 HD12 LEU 2 2HD1 LEU 2 4.249 9.745 -4.063 11 HD13 LEU 2 3HD1 LEU 2 5.072 9.275 -5.550 12 HD21 LEU 2 3HD2 LEU 2 7.489 9.245 -2.207 13 HD22 LEU 2 1HD2 LEU 2 5.892 8.768 -1.630 14 HD23 LEU 2 2HD2 LEU 2 6.128 10.355 -2.364 15 HA PRO 3 HA PRO 3 1.512 4.051 -3.901 16 HB2 PRO 3 2HB PRO 3 -0.003 4.469 -6.078 17 HB3 PRO 3 1HB PRO 3 -0.385 5.217 -4.522 18 HG2 PRO 3 2HG PRO 3 0.966 6.400 -6.913 19 HG3 PRO 3 1HG PRO 3 -0.250 7.120 -5.844 20 HD2 PRO 3 2HD PRO 3 2.448 7.610 -5.663 21 HD3 PRO 3 1HD PRO 3 1.314 7.771 -4.309 22 H THR 4 H THR 4 4.171 4.337 -4.903 23 HA THR 4 HA THR 4 4.224 3.241 -7.578 24 HB THR 4 HB THR 4 6.688 3.239 -7.232 25 HG1 THR 4 1HG THR 4 6.880 2.933 -5.031 26 HG21 THR 4 3HG2 THR 4 6.799 5.795 -6.755 27 HG22 THR 4 1HG2 THR 4 5.037 5.689 -6.734 28 HG23 THR 4 2HG2 THR 4 5.935 5.225 -8.183 29 H CYS 5 H CYS 5 2.894 1.696 -5.517 30 HA CYS 5 HA CYS 5 4.671 -0.608 -5.187 31 HB2 CYS 5 2HB CYS 5 1.963 -0.059 -3.954 32 HB3 CYS 5 1HB CYS 5 3.018 -1.415 -3.571 33 H GLY 6 H GLY 6 1.629 0.403 -6.616 34 HA2 GLY 6 2HA GLY 6 0.374 -0.549 -8.297 35 HA3 GLY 6 1HA GLY 6 1.703 -1.670 -8.567 36 H GLU 7 H GLU 7 -0.073 -1.171 -5.581 37 HA GLU 7 HA GLU 7 -1.384 -3.771 -5.876 38 HB2 GLU 7 2HB GLU 7 0.848 -3.827 -4.525 39 HB3 GLU 7 1HB GLU 7 -0.080 -3.013 -3.276 40 HG2 GLU 7 2HG GLU 7 -1.744 -4.926 -3.497 41 HG3 GLU 7 1HG GLU 7 -0.485 -5.756 -4.408 42 H THR 8 H THR 8 -3.284 -3.975 -4.654 43 HA THR 8 HA THR 8 -4.218 -1.487 -3.403 44 HB THR 8 HB THR 8 -5.425 -1.709 -5.463 45 HG1 THR 8 1HG THR 8 -6.590 -1.401 -3.285 46 HG21 THR 8 3HG2 THR 8 -6.291 -3.616 -6.359 47 HG22 THR 8 1HG2 THR 8 -6.641 -4.330 -4.785 48 HG23 THR 8 2HG2 THR 8 -4.992 -4.335 -5.410 49 H CYS 9 H CYS 9 -4.400 -1.759 -1.299 50 HA CYS 9 HA CYS 9 -4.763 -4.418 -0.205 51 HB2 CYS 9 2HB CYS 9 -4.414 -3.273 1.993 52 HB3 CYS 9 1HB CYS 9 -3.074 -3.132 0.873 53 H THR 10 H THR 10 -7.007 -4.156 -1.364 54 HA THR 10 HA THR 10 -9.045 -2.629 -0.217 55 HB THR 10 HB THR 10 -10.506 -4.627 -1.047 56 HG1 THR 10 1HG THR 10 -9.050 -5.649 -2.806 57 HG21 THR 10 3HG2 THR 10 -9.993 -2.381 -2.181 58 HG22 THR 10 1HG2 THR 10 -10.543 -3.707 -3.205 59 HG23 THR 10 2HG2 THR 10 -8.832 -3.287 -3.150 60 H LEU 11 H LEU 11 -7.665 -5.714 0.684 61 HA LEU 11 HA LEU 11 -9.578 -6.212 2.786 62 HB2 LEU 11 2HB LEU 11 -6.983 -7.601 2.112 63 HB3 LEU 11 1HB LEU 11 -8.151 -8.159 3.294 64 HG LEU 11 HG LEU 11 -8.650 -7.914 0.325 65 HD11 LEU 11 1HD1 LEU 11 -8.934 -10.540 0.984 66 HD12 LEU 11 2HD1 LEU 11 -7.590 -10.054 2.018 67 HD13 LEU 11 3HD1 LEU 11 -7.487 -9.827 0.272 68 HD21 LEU 11 3HD2 LEU 11 -10.555 -7.666 2.150 69 HD22 LEU 11 1HD2 LEU 11 -10.431 -9.425 2.160 70 HD23 LEU 11 2HD2 LEU 11 -10.806 -8.575 0.660 71 H GLY 12 H GLY 12 -6.584 -4.550 2.444 72 HA2 GLY 12 2HA GLY 12 -5.850 -3.014 4.119 73 HA3 GLY 12 1HA GLY 12 -6.564 -4.057 5.340 74 H THR 13 H THR 13 -4.415 -4.922 2.674 75 HA THR 13 HA THR 13 -2.139 -5.275 4.407 76 HB THR 13 HB THR 13 -3.559 -7.655 3.196 77 HG1 THR 13 1HG THR 13 -3.687 -6.596 5.578 78 HG21 THR 13 3HG2 THR 13 -0.754 -7.436 4.276 79 HG22 THR 13 1HG2 THR 13 -1.266 -8.021 2.692 80 HG23 THR 13 2HG2 THR 13 -1.612 -8.970 4.140 81 H CYS 14 H CYS 14 -0.282 -5.059 3.258 82 HA CYS 14 HA CYS 14 -0.470 -5.245 0.326 83 HB2 CYS 14 2HB CYS 14 1.316 -3.386 1.911 84 HB3 CYS 14 1HB CYS 14 1.166 -3.454 0.158 85 H TYR 15 H TYR 15 0.742 -6.823 -0.475 86 HA TYR 15 HA TYR 15 2.675 -8.123 1.229 87 HB2 TYR 15 2HB TYR 15 2.904 -9.769 -0.582 88 HB3 TYR 15 1HB TYR 15 1.229 -9.523 -0.118 89 HD1 TYR 15 1HD TYR 15 3.729 -8.417 -2.660 90 HD2 TYR 15 2HD TYR 15 -0.362 -9.156 -1.753 91 HE1 TYR 15 1HE TYR 15 3.153 -8.017 -5.010 92 HE2 TYR 15 2HE TYR 15 -0.957 -8.761 -4.111 93 HH TYR 15 HH TYR 15 0.639 -7.199 -6.174 94 H VAL 16 H VAL 16 2.740 -5.804 -1.346 95 HA VAL 16 HA VAL 16 5.364 -6.223 -2.269 96 HB VAL 16 HB VAL 16 3.829 -3.616 -2.136 97 HG11 VAL 16 1HG1 VAL 16 5.583 -2.553 -3.009 98 HG12 VAL 16 2HG1 VAL 16 5.802 -3.803 -4.234 99 HG13 VAL 16 3HG1 VAL 16 6.549 -3.984 -2.646 100 HG21 VAL 16 3HG2 VAL 16 3.152 -4.032 -4.354 101 HG22 VAL 16 1HG2 VAL 16 2.884 -5.548 -3.494 102 HG23 VAL 16 2HG2 VAL 16 4.294 -5.362 -4.538 103 HA PRO 17 HA PRO 17 7.913 -5.575 1.258 104 HB2 PRO 17 2HB PRO 17 9.682 -4.473 -0.883 105 HB3 PRO 17 1HB PRO 17 10.058 -5.619 0.408 106 HG2 PRO 17 2HG PRO 17 9.635 -6.441 -2.102 107 HG3 PRO 17 1HG PRO 17 9.100 -7.398 -0.710 108 HD2 PRO 17 2HD PRO 17 7.500 -5.823 -2.639 109 HD3 PRO 17 1HD PRO 17 7.032 -7.212 -1.642 110 H ASP 18 H ASP 18 7.814 -4.034 2.657 111 HA ASP 18 HA ASP 18 7.813 -2.060 3.733 112 HB2 ASP 18 2HB ASP 18 10.052 -1.946 2.533 113 HB3 ASP 18 1HB ASP 18 9.264 -0.879 1.373 114 H CYS 19 H CYS 19 5.797 -2.550 1.321 115 HA CYS 19 HA CYS 19 5.004 0.218 0.928 116 HB2 CYS 19 2HB CYS 19 4.122 -2.381 -0.258 117 HB3 CYS 19 1HB CYS 19 3.074 -0.967 -0.371 118 H SER 20 H SER 20 3.581 1.246 2.066 119 HA SER 20 HA SER 20 2.176 -0.141 4.196 120 HB2 SER 20 2HB SER 20 2.275 2.823 3.579 121 HB3 SER 20 1HB SER 20 1.807 2.066 5.104 122 HG SER 20 HG SER 20 4.137 1.111 4.718 123 H CYS 21 H CYS 21 -0.050 -0.155 4.452 124 HA CYS 21 HA CYS 21 -1.551 -0.044 2.020 125 HB2 CYS 21 2HB CYS 21 -2.057 -1.773 3.649 126 HB3 CYS 21 1HB CYS 21 -2.430 -0.558 4.868 127 H SER 22 H SER 22 -2.190 1.799 1.185 128 HA SER 22 HA SER 22 -3.161 3.922 2.983 129 HB2 SER 22 2HB SER 22 -2.013 4.086 0.180 130 HB3 SER 22 1HB SER 22 -2.611 5.461 1.097 131 HG SER 22 HG SER 22 -0.937 4.294 2.692 132 H TRP 23 H TRP 23 -4.732 1.913 2.639 133 HA TRP 23 HA TRP 23 -6.319 1.077 0.849 134 HB2 TRP 23 2HB TRP 23 -6.751 0.964 3.324 135 HB3 TRP 23 1HB TRP 23 -7.631 2.483 3.171 136 HD1 TRP 23 HD TRP 23 -7.954 -1.235 2.507 137 HE1 TRP 23 1HE TRP 23 -10.342 -1.753 1.697 138 HE3 TRP 23 3HE TRP 23 -9.626 3.546 1.843 139 HZ2 TRP 23 2HZ TRP 23 -12.632 -0.305 0.858 140 HZ3 TRP 23 3HZ TRP 23 -11.912 3.898 1.022 141 HH2 TRP 23 HH TRP 23 -13.374 2.018 0.534 142 HA PRO 24 HA PRO 24 -7.773 0.459 -0.203 143 HB2 PRO 24 2HB PRO 24 -8.498 0.292 -2.759 144 HB3 PRO 24 1HB PRO 24 -9.655 0.750 -1.502 145 HG2 PRO 24 2HG PRO 24 -8.171 2.490 -3.438 146 HG3 PRO 24 1HG PRO 24 -9.873 2.568 -2.943 147 HD2 PRO 24 2HD PRO 24 -7.898 4.173 -1.906 148 HD3 PRO 24 1HD PRO 24 -9.399 3.750 -1.049 149 H ILE 25 H ILE 25 -5.672 2.710 -1.718 150 HA ILE 25 HA ILE 25 -4.266 0.566 -3.146 151 HB ILE 25 HB ILE 25 -3.779 3.537 -3.316 152 HG12 ILE 25 2HG1 ILE 25 -5.387 1.708 -5.111 153 HG13 ILE 25 1HG1 ILE 25 -6.022 3.011 -4.111 154 HG21 ILE 25 1HG2 ILE 25 -1.882 2.050 -3.939 155 HG22 ILE 25 2HG2 ILE 25 -2.470 3.062 -5.259 156 HG23 ILE 25 3HG2 ILE 25 -2.907 1.355 -5.194 157 HD11 ILE 25 3HD1 ILE 25 -5.612 3.337 -6.675 158 HD12 ILE 25 1HD1 ILE 25 -3.959 3.653 -6.145 159 HD13 ILE 25 2HD1 ILE 25 -5.286 4.639 -5.529 160 H CYS 26 H CYS 26 -2.032 0.195 -2.872 161 HA CYS 26 HA CYS 26 -1.074 0.871 -0.207 162 HB2 CYS 26 2HB CYS 26 0.192 -0.876 -2.331 163 HB3 CYS 26 1HB CYS 26 0.751 -0.685 -0.669 164 H MET 27 H MET 27 0.508 2.312 0.245 165 HA MET 27 HA MET 27 2.012 3.469 -2.002 166 HB2 MET 27 2HB MET 27 0.766 5.111 0.210 167 HB3 MET 27 1HB MET 27 1.674 5.717 -1.166 168 HG2 MET 27 2HG MET 27 -0.104 4.891 -2.657 169 HG3 MET 27 1HG MET 27 -1.015 4.375 -1.249 170 HE1 MET 27 3HE MET 27 -2.293 6.442 -3.475 171 HE2 MET 27 1HE MET 27 -3.176 7.380 -2.269 172 HE3 MET 27 2HE MET 27 -3.036 5.630 -2.097 173 H LYS 28 H LYS 28 4.048 4.180 -1.534 174 HA LYS 28 HA LYS 28 5.090 3.448 1.117 175 HB2 LYS 28 2HB LYS 28 6.244 2.164 -0.504 176 HB3 LYS 28 1HB LYS 28 6.346 3.514 -1.623 177 HG2 LYS 28 2HG LYS 28 8.509 3.336 -0.860 178 HG3 LYS 28 1HG LYS 28 7.852 4.584 0.197 179 HD2 LYS 28 2HD LYS 28 7.893 1.675 0.964 180 HD3 LYS 28 1HD LYS 28 9.249 2.754 1.283 181 HE2 LYS 28 2HE LYS 28 7.727 4.221 2.570 182 HE3 LYS 28 1HE LYS 28 6.428 3.058 2.306 183 HZ1 LYS 28 3HZ LYS 28 7.293 1.616 3.791 184 HZ2 LYS 28 1HZ LYS 28 7.981 3.016 4.448 185 HZ3 LYS 28 2HZ LYS 28 8.901 2.008 3.440 186 H ASN 29 H ASN 29 4.968 5.224 2.315 187 HA ASN 29 HA ASN 29 5.292 7.324 3.102 188 HB2 ASN 29 2HB ASN 29 7.378 7.591 0.922 189 HB3 ASN 29 1HB ASN 29 7.234 8.592 2.361 190 HD21 ASN 29 1HD2 ASN 29 9.219 6.545 1.147 191 HD22 ASN 29 2HD2 ASN 29 9.688 5.617 2.526 Start of MODEL 20 1 H1 GLY 1 H GLY 1 3.712 5.895 1.628 2 HA2 GLY 1 2HA GLY 1 2.468 7.886 1.240 3 HA3 GLY 1 1HA GLY 1 3.968 8.796 1.290 4 H LEU 2 H LEU 2 5.084 6.531 -0.547 5 HA LEU 2 HA LEU 2 4.266 7.886 -3.003 6 HB2 LEU 2 2HB LEU 2 6.518 5.961 -2.452 7 HB3 LEU 2 1HB LEU 2 6.170 6.646 -4.026 8 HG LEU 2 HG LEU 2 7.889 7.974 -3.269 9 HD11 LEU 2 1HD1 LEU 2 7.044 10.125 -3.055 10 HD12 LEU 2 2HD1 LEU 2 5.632 9.579 -2.151 11 HD13 LEU 2 3HD1 LEU 2 5.760 9.236 -3.876 12 HD21 LEU 2 3HD2 LEU 2 7.735 6.971 -0.916 13 HD22 LEU 2 1HD2 LEU 2 6.697 8.348 -0.547 14 HD23 LEU 2 2HD2 LEU 2 8.358 8.615 -1.075 15 HA PRO 3 HA PRO 3 1.671 4.274 -3.776 16 HB2 PRO 3 2HB PRO 3 0.343 5.298 -5.889 17 HB3 PRO 3 1HB PRO 3 -0.021 5.774 -4.227 18 HG2 PRO 3 2HG PRO 3 1.613 7.197 -6.290 19 HG3 PRO 3 1HG PRO 3 0.429 7.859 -5.149 20 HD2 PRO 3 2HD PRO 3 3.127 7.975 -4.754 21 HD3 PRO 3 1HD PRO 3 1.947 7.936 -3.430 22 H THR 4 H THR 4 4.383 4.309 -4.679 23 HA THR 4 HA THR 4 4.252 3.537 -7.497 24 HB THR 4 HB THR 4 6.715 3.504 -7.374 25 HG1 THR 4 1HG THR 4 6.994 2.916 -5.204 26 HG21 THR 4 3HG2 THR 4 5.248 5.935 -6.394 27 HG22 THR 4 1HG2 THR 4 5.877 5.602 -8.008 28 HG23 THR 4 2HG2 THR 4 6.988 5.971 -6.688 29 H CYS 5 H CYS 5 3.016 1.853 -5.511 30 HA CYS 5 HA CYS 5 4.823 -0.450 -5.395 31 HB2 CYS 5 2HB CYS 5 2.149 -0.064 -4.038 32 HB3 CYS 5 1HB CYS 5 3.282 -1.383 -3.760 33 H GLY 6 H GLY 6 1.665 0.559 -6.582 34 HA2 GLY 6 2HA GLY 6 0.395 -0.298 -8.313 35 HA3 GLY 6 1HA GLY 6 1.716 -1.409 -8.666 36 H GLU 7 H GLU 7 0.104 -0.998 -5.607 37 HA GLU 7 HA GLU 7 -1.163 -3.630 -5.859 38 HB2 GLU 7 2HB GLU 7 0.981 -3.777 -4.575 39 HB3 GLU 7 1HB GLU 7 0.327 -2.612 -3.442 40 HG2 GLU 7 2HG GLU 7 -1.441 -4.160 -2.832 41 HG3 GLU 7 1HG GLU 7 -0.804 -5.341 -3.978 42 H THR 8 H THR 8 -2.998 -3.894 -4.529 43 HA THR 8 HA THR 8 -4.085 -1.421 -3.372 44 HB THR 8 HB THR 8 -6.359 -2.260 -4.152 45 HG1 THR 8 1HG THR 8 -5.397 -4.396 -4.734 46 HG21 THR 8 3HG2 THR 8 -4.243 -1.236 -6.016 47 HG22 THR 8 1HG2 THR 8 -5.590 -0.368 -5.279 48 HG23 THR 8 2HG2 THR 8 -5.889 -1.514 -6.584 49 H CYS 9 H CYS 9 -4.342 -1.737 -1.267 50 HA CYS 9 HA CYS 9 -4.695 -4.425 -0.238 51 HB2 CYS 9 2HB CYS 9 -4.497 -3.303 1.996 52 HB3 CYS 9 1HB CYS 9 -3.096 -3.130 0.956 53 H THR 10 H THR 10 -6.873 -4.221 -1.496 54 HA THR 10 HA THR 10 -9.006 -2.743 -0.478 55 HB THR 10 HB THR 10 -10.363 -4.794 -1.373 56 HG1 THR 10 1HG THR 10 -9.055 -6.019 -2.863 57 HG21 THR 10 3HG2 THR 10 -8.604 -3.067 -3.117 58 HG22 THR 10 1HG2 THR 10 -10.242 -2.705 -2.571 59 HG23 THR 10 2HG2 THR 10 -9.963 -4.024 -3.709 60 H LEU 11 H LEU 11 -7.624 -5.803 0.518 61 HA LEU 11 HA LEU 11 -9.639 -6.287 2.535 62 HB2 LEU 11 2HB LEU 11 -7.036 -7.708 1.961 63 HB3 LEU 11 1HB LEU 11 -8.248 -8.245 3.108 64 HG LEU 11 HG LEU 11 -8.641 -8.020 0.121 65 HD11 LEU 11 1HD1 LEU 11 -7.590 -9.982 0.067 66 HD12 LEU 11 2HD1 LEU 11 -8.993 -10.646 0.907 67 HD13 LEU 11 3HD1 LEU 11 -7.584 -10.115 1.826 68 HD21 LEU 11 3HD2 LEU 11 -10.714 -9.408 0.748 69 HD22 LEU 11 1HD2 LEU 11 -10.754 -7.669 1.039 70 HD23 LEU 11 2HD2 LEU 11 -10.464 -8.781 2.378 71 H GLY 12 H GLY 12 -6.678 -4.594 2.292 72 HA2 GLY 12 2HA GLY 12 -5.993 -3.069 3.987 73 HA3 GLY 12 1HA GLY 12 -6.725 -4.124 5.188 74 H THR 13 H THR 13 -4.519 -4.989 2.571 75 HA THR 13 HA THR 13 -2.284 -5.322 4.365 76 HB THR 13 HB THR 13 -3.623 -7.712 3.079 77 HG1 THR 13 1HG THR 13 -3.885 -6.636 5.470 78 HG21 THR 13 3HG2 THR 13 -0.885 -7.392 4.266 79 HG22 THR 13 1HG2 THR 13 -1.355 -8.162 2.749 80 HG23 THR 13 2HG2 THR 13 -1.712 -8.950 4.288 81 H CYS 14 H CYS 14 -0.408 -5.061 3.284 82 HA CYS 14 HA CYS 14 -0.441 -5.309 0.349 83 HB2 CYS 14 2HB CYS 14 1.236 -3.344 1.932 84 HB3 CYS 14 1HB CYS 14 1.059 -3.426 0.182 85 H TYR 15 H TYR 15 0.875 -6.911 -0.291 86 HA TYR 15 HA TYR 15 2.753 -8.017 1.603 87 HB2 TYR 15 2HB TYR 15 3.141 -9.775 -0.068 88 HB3 TYR 15 1HB TYR 15 1.431 -9.560 0.275 89 HD1 TYR 15 1HD TYR 15 4.011 -8.367 -2.163 90 HD2 TYR 15 2HD TYR 15 -0.025 -9.539 -1.502 91 HE1 TYR 15 1HE TYR 15 3.570 -8.144 -4.565 92 HE2 TYR 15 2HE TYR 15 -0.484 -9.323 -3.912 93 HH TYR 15 HH TYR 15 0.963 -7.702 -5.919 94 H VAL 16 H VAL 16 2.885 -5.771 -0.975 95 HA VAL 16 HA VAL 16 5.547 -6.204 -1.811 96 HB VAL 16 HB VAL 16 4.023 -3.592 -1.855 97 HG11 VAL 16 1HG1 VAL 16 6.705 -4.101 -2.421 98 HG12 VAL 16 2HG1 VAL 16 5.777 -2.673 -2.877 99 HG13 VAL 16 3HG1 VAL 16 5.913 -4.030 -3.995 100 HG21 VAL 16 3HG2 VAL 16 2.803 -5.349 -3.016 101 HG22 VAL 16 1HG2 VAL 16 4.248 -5.762 -3.939 102 HG23 VAL 16 2HG2 VAL 16 3.472 -4.195 -4.171 103 HA PRO 17 HA PRO 17 7.782 -5.169 1.869 104 HB2 PRO 17 2HB PRO 17 9.892 -4.625 -0.158 105 HB3 PRO 17 1HB PRO 17 9.954 -5.633 1.291 106 HG2 PRO 17 2HG PRO 17 9.753 -6.707 -1.152 107 HG3 PRO 17 1HG PRO 17 8.944 -7.426 0.251 108 HD2 PRO 17 2HD PRO 17 7.791 -5.883 -2.013 109 HD3 PRO 17 1HD PRO 17 7.067 -7.162 -1.023 110 H ASP 18 H ASP 18 7.985 -3.357 2.962 111 HA ASP 18 HA ASP 18 8.289 -1.202 3.572 112 HB2 ASP 18 2HB ASP 18 10.290 -1.340 2.082 113 HB3 ASP 18 1HB ASP 18 9.305 -0.712 0.771 114 H CYS 19 H CYS 19 6.118 -2.158 1.246 115 HA CYS 19 HA CYS 19 4.976 0.479 0.822 116 HB2 CYS 19 2HB CYS 19 4.244 -2.263 -0.184 117 HB3 CYS 19 1HB CYS 19 3.196 -0.867 -0.427 118 H SER 20 H SER 20 3.399 1.337 1.927 119 HA SER 20 HA SER 20 2.188 -0.222 4.094 120 HB2 SER 20 2HB SER 20 2.232 2.772 3.635 121 HB3 SER 20 1HB SER 20 1.678 1.946 5.095 122 HG SER 20 HG SER 20 4.215 1.242 4.328 123 H CYS 21 H CYS 21 -0.067 -0.214 4.434 124 HA CYS 21 HA CYS 21 -1.607 -0.116 2.025 125 HB2 CYS 21 2HB CYS 21 -2.100 -1.821 3.687 126 HB3 CYS 21 1HB CYS 21 -2.450 -0.585 4.892 127 H SER 22 H SER 22 -2.414 1.658 1.181 128 HA SER 22 HA SER 22 -3.336 3.797 2.982 129 HB2 SER 22 2HB SER 22 -2.122 4.041 0.212 130 HB3 SER 22 1HB SER 22 -2.702 5.379 1.196 131 HG SER 22 HG SER 22 -1.104 4.281 2.795 132 H TRP 23 H TRP 23 -4.892 1.784 2.522 133 HA TRP 23 HA TRP 23 -6.417 0.996 0.668 134 HB2 TRP 23 2HB TRP 23 -6.949 0.851 3.124 135 HB3 TRP 23 1HB TRP 23 -7.820 2.372 2.953 136 HD1 TRP 23 HD TRP 23 -8.114 -1.334 2.230 137 HE1 TRP 23 1HE TRP 23 -10.464 -1.843 1.310 138 HE3 TRP 23 3HE TRP 23 -9.760 3.452 1.551 139 HZ2 TRP 23 2HZ TRP 23 -12.714 -0.386 0.388 140 HZ3 TRP 23 3HZ TRP 23 -12.009 3.814 0.636 141 HH2 TRP 23 HH TRP 23 -13.445 1.939 0.061 142 HA PRO 24 HA PRO 24 -7.816 0.398 -0.457 143 HB2 PRO 24 2HB PRO 24 -8.423 0.272 -3.046 144 HB3 PRO 24 1HB PRO 24 -9.638 0.713 -1.838 145 HG2 PRO 24 2HG PRO 24 -8.059 2.485 -3.668 146 HG3 PRO 24 1HG PRO 24 -9.783 2.552 -3.262 147 HD2 PRO 24 2HD PRO 24 -7.875 4.144 -2.095 148 HD3 PRO 24 1HD PRO 24 -9.414 3.694 -1.319 149 H ILE 25 H ILE 25 -5.756 2.709 -2.017 150 HA ILE 25 HA ILE 25 -4.214 0.628 -3.365 151 HB ILE 25 HB ILE 25 -3.729 3.606 -3.348 152 HG12 ILE 25 2HG1 ILE 25 -5.232 1.880 -5.326 153 HG13 ILE 25 1HG1 ILE 25 -5.926 3.120 -4.287 154 HG21 ILE 25 1HG2 ILE 25 -1.831 3.095 -4.379 155 HG22 ILE 25 2HG2 ILE 25 -2.788 2.445 -5.710 156 HG23 ILE 25 3HG2 ILE 25 -2.252 1.382 -4.409 157 HD11 ILE 25 3HD1 ILE 25 -3.756 3.929 -6.125 158 HD12 ILE 25 1HD1 ILE 25 -5.181 4.819 -5.589 159 HD13 ILE 25 2HD1 ILE 25 -5.336 3.565 -6.821 160 H CYS 26 H CYS 26 -1.974 0.278 -2.999 161 HA CYS 26 HA CYS 26 -1.175 0.890 -0.254 162 HB2 CYS 26 2HB CYS 26 0.106 -0.959 -2.284 163 HB3 CYS 26 1HB CYS 26 0.641 -0.729 -0.618 164 H MET 27 H MET 27 0.308 2.367 0.244 165 HA MET 27 HA MET 27 1.959 3.467 -1.942 166 HB2 MET 27 2HB MET 27 0.981 4.955 0.499 167 HB3 MET 27 1HB MET 27 1.933 5.622 -0.816 168 HG2 MET 27 2HG MET 27 0.053 5.172 -2.351 169 HG3 MET 27 1HG MET 27 -0.900 4.625 -0.976 170 HE1 MET 27 3HE MET 27 -1.999 7.685 -2.770 171 HE2 MET 27 1HE MET 27 -2.915 7.494 -1.275 172 HE3 MET 27 2HE MET 27 -2.430 6.072 -2.199 173 H LYS 28 H LYS 28 4.068 3.577 -1.601 174 HA LYS 28 HA LYS 28 5.137 2.296 0.778 175 HB2 LYS 28 2HB LYS 28 5.887 1.643 -1.491 176 HB3 LYS 28 1HB LYS 28 6.531 3.263 -1.713 177 HG2 LYS 28 2HG LYS 28 8.292 2.891 -0.331 178 HG3 LYS 28 1HG LYS 28 7.419 1.694 0.635 179 HD2 LYS 28 2HD LYS 28 8.533 0.160 -0.522 180 HD3 LYS 28 1HD LYS 28 7.471 0.567 -1.860 181 HE2 LYS 28 2HE LYS 28 9.797 0.605 -2.564 182 HE3 LYS 28 1HE LYS 28 9.091 2.219 -2.641 183 HZ1 LYS 28 3HZ LYS 28 11.388 1.461 -1.305 184 HZ2 LYS 28 1HZ LYS 28 10.246 1.767 -0.089 185 HZ3 LYS 28 2HZ LYS 28 10.617 2.962 -1.235 186 H ASN 29 H ASN 29 5.116 3.710 2.414 187 HA ASN 29 HA ASN 29 5.578 5.522 3.701 188 HB2 ASN 29 2HB ASN 29 7.931 5.614 1.808 189 HB3 ASN 29 1HB ASN 29 7.777 6.688 3.196 190 HD21 ASN 29 1HD2 ASN 29 9.006 3.810 2.140 191 HD22 ASN 29 2HD2 ASN 29 9.243 3.023 3.655
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