NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
466838 | 2kyb | 16944 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -1.644 14.813 -9.106 2 H2 MET 1 2H MET 1 -2.999 14.350 -8.192 3 H3 MET 1 3H MET 1 -2.997 15.833 -9.022 4 HA MET 1 HA MET 1 -4.255 13.812 -10.008 5 HB2 MET 1 1HB MET 1 -3.903 16.041 -11.102 6 HB3 MET 1 2HB MET 1 -2.346 15.485 -11.704 7 HG2 MET 1 1HG MET 1 -3.488 13.678 -12.983 8 HG3 MET 1 2HG MET 1 -5.039 14.216 -12.352 9 HE1 MET 1 3HE MET 1 -1.808 15.406 -14.126 10 HE2 MET 1 1HE MET 1 -2.450 16.144 -15.600 11 HE3 MET 1 2HE MET 1 -2.685 14.426 -15.295 12 H LYS 2 H LYS 2 -0.745 14.151 -10.520 13 HA LYS 2 HA LYS 2 -0.435 11.778 -12.033 14 HB2 LYS 2 1HB LYS 2 1.237 13.645 -11.917 15 HB3 LYS 2 2HB LYS 2 1.662 13.136 -10.284 16 HG2 LYS 2 1HG LYS 2 2.316 10.892 -11.161 17 HG3 LYS 2 2HG LYS 2 1.887 11.412 -12.791 18 HD2 LYS 2 1HD LYS 2 3.619 13.186 -12.681 19 HD3 LYS 2 2HD LYS 2 4.045 12.669 -11.048 20 HE2 LYS 2 1HE LYS 2 5.609 11.697 -12.704 21 HE3 LYS 2 2HE LYS 2 4.663 10.423 -11.931 22 HZ1 LYS 2 3HZ LYS 2 4.905 10.703 -14.573 23 HZ2 LYS 2 1HZ LYS 2 3.484 11.590 -14.306 24 HZ3 LYS 2 2HZ LYS 2 3.573 9.964 -13.821 25 H THR 3 H THR 3 -0.524 9.722 -11.408 26 HA THR 3 HA THR 3 -0.573 9.029 -8.533 27 HB THR 3 HB THR 3 -1.521 6.913 -9.282 28 HG1 THR 3 HG1 THR 3 -1.954 7.029 -11.738 29 HG21 THR 3 3HG2 THR 3 -3.593 7.739 -10.308 30 HG22 THR 3 1HG2 THR 3 -2.780 9.213 -10.824 31 HG23 THR 3 2HG2 THR 3 -3.040 8.907 -9.108 32 H GLY 4 H GLY 4 0.543 7.092 -7.867 33 HA2 GLY 4 1HA GLY 4 3.277 6.925 -9.028 34 HA3 GLY 4 2HA GLY 4 2.795 6.482 -7.396 35 H ILE 5 H ILE 5 4.258 4.872 -9.281 36 HA ILE 5 HA ILE 5 2.338 2.638 -9.806 37 HB ILE 5 HB ILE 5 5.082 3.106 -11.047 38 HG12 ILE 5 1HG1 ILE 5 2.309 3.487 -12.297 39 HG13 ILE 5 2HG1 ILE 5 3.308 4.817 -11.720 40 HG21 ILE 5 1HG2 ILE 5 4.342 1.286 -12.611 41 HG22 ILE 5 2HG2 ILE 5 2.857 1.106 -11.688 42 HG23 ILE 5 3HG2 ILE 5 4.405 0.702 -10.956 43 HD11 ILE 5 3HD1 ILE 5 3.598 4.556 -14.129 44 HD12 ILE 5 1HD1 ILE 5 4.066 2.871 -13.918 45 HD13 ILE 5 2HD1 ILE 5 5.101 4.159 -13.300 46 H VAL 6 H VAL 6 2.519 0.886 -8.607 47 HA VAL 6 HA VAL 6 4.405 0.681 -6.472 48 HB VAL 6 HB VAL 6 2.641 -1.522 -7.630 49 HG11 VAL 6 1HG1 VAL 6 3.854 -1.114 -4.858 50 HG12 VAL 6 2HG1 VAL 6 4.349 -2.336 -6.028 51 HG13 VAL 6 3HG1 VAL 6 2.749 -2.415 -5.302 52 HG21 VAL 6 3HG2 VAL 6 0.986 -0.772 -5.932 53 HG22 VAL 6 1HG2 VAL 6 1.290 0.475 -7.131 54 HG23 VAL 6 2HG2 VAL 6 2.018 0.596 -5.529 55 H ASN 7 H ASN 7 6.364 -0.272 -6.416 56 HA ASN 7 HA ASN 7 7.813 -0.946 -8.722 57 HB2 ASN 7 1HB ASN 7 9.441 -2.015 -7.123 58 HB3 ASN 7 2HB ASN 7 8.948 -0.396 -6.648 59 HD21 ASN 7 2HD2 ASN 7 9.190 -3.609 -5.524 60 HD22 ASN 7 1HD2 ASN 7 8.215 -3.450 -4.143 61 H VAL 8 H VAL 8 7.238 -2.527 -10.101 62 HA VAL 8 HA VAL 8 5.779 -4.873 -9.390 63 HB VAL 8 HB VAL 8 7.474 -4.484 -11.898 64 HG11 VAL 8 1HG1 VAL 8 4.931 -6.086 -11.376 65 HG12 VAL 8 2HG1 VAL 8 6.546 -6.771 -11.543 66 HG13 VAL 8 3HG1 VAL 8 5.782 -5.980 -12.917 67 HG21 VAL 8 3HG2 VAL 8 5.381 -3.508 -12.902 68 HG22 VAL 8 1HG2 VAL 8 6.065 -2.494 -11.634 69 HG23 VAL 8 2HG2 VAL 8 4.654 -3.490 -11.295 70 H SER 9 H SER 9 7.239 -5.422 -7.538 71 HA SER 9 HA SER 9 9.801 -6.690 -8.191 72 HB2 SER 9 1HB SER 9 9.667 -5.452 -6.093 73 HB3 SER 9 2HB SER 9 8.245 -6.366 -5.599 74 HG SER 9 HG SER 9 10.844 -6.991 -5.338 75 H SER 10 H SER 10 7.971 -8.261 -5.771 76 HA SER 10 HA SER 10 6.853 -10.358 -7.483 77 HB2 SER 10 1HB SER 10 8.264 -12.149 -6.602 78 HB3 SER 10 2HB SER 10 9.276 -10.921 -7.364 79 HG SER 10 HG SER 10 9.724 -10.088 -5.320 80 H SER 11 H SER 11 7.519 -8.999 -4.352 81 HA SER 11 HA SER 11 4.954 -10.016 -3.345 82 HB2 SER 11 1HB SER 11 6.490 -11.836 -2.745 83 HB3 SER 11 2HB SER 11 7.586 -10.687 -1.982 84 HG SER 11 HG SER 11 6.317 -11.414 -0.360 85 H LEU 12 H LEU 12 4.112 -8.751 -1.702 86 HA LEU 12 HA LEU 12 5.779 -6.826 -0.339 87 HB2 LEU 12 1HB LEU 12 4.841 -5.899 -2.737 88 HB3 LEU 12 2HB LEU 12 3.455 -5.497 -1.743 89 HG LEU 12 HG LEU 12 4.929 -3.561 -1.778 90 HD11 LEU 12 1HD1 LEU 12 3.823 -4.261 0.437 91 HD12 LEU 12 2HD1 LEU 12 5.180 -3.145 0.550 92 HD13 LEU 12 3HD1 LEU 12 5.414 -4.830 0.943 93 HD21 LEU 12 3HD2 LEU 12 7.075 -5.183 -2.220 94 HD22 LEU 12 1HD2 LEU 12 7.287 -4.970 -0.481 95 HD23 LEU 12 2HD2 LEU 12 7.252 -3.575 -1.545 96 H ASN 13 H ASN 13 5.129 -6.781 1.691 97 HA ASN 13 HA ASN 13 2.458 -7.752 2.434 98 HB2 ASN 13 1HB ASN 13 4.851 -6.914 4.126 99 HB3 ASN 13 2HB ASN 13 3.379 -7.678 4.722 100 HD21 ASN 13 2HD2 ASN 13 6.502 -8.401 3.821 101 HD22 ASN 13 1HD2 ASN 13 6.287 -10.025 3.381 102 H VAL 14 H VAL 14 0.868 -6.487 3.131 103 HA VAL 14 HA VAL 14 1.331 -3.535 3.292 104 HB VAL 14 HB VAL 14 -1.304 -5.029 3.023 105 HG11 VAL 14 1HG1 VAL 14 -2.157 -2.791 2.342 106 HG12 VAL 14 2HG1 VAL 14 -0.576 -2.088 2.667 107 HG13 VAL 14 3HG1 VAL 14 -1.531 -2.753 3.988 108 HG21 VAL 14 3HG2 VAL 14 0.127 -5.416 1.039 109 HG22 VAL 14 1HG2 VAL 14 0.413 -3.679 0.895 110 HG23 VAL 14 2HG2 VAL 14 -1.204 -4.337 0.651 111 H ARG 15 H ARG 15 1.237 -2.561 5.192 112 HA ARG 15 HA ARG 15 0.360 -4.071 7.594 113 HB2 ARG 15 1HB ARG 15 1.831 -1.413 7.385 114 HB3 ARG 15 2HB ARG 15 1.575 -2.378 8.846 115 HG2 ARG 15 1HG ARG 15 2.889 -4.237 7.826 116 HG3 ARG 15 2HG ARG 15 3.171 -3.247 6.397 117 HD2 ARG 15 1HD ARG 15 4.300 -1.541 7.811 118 HD3 ARG 15 2HD ARG 15 4.077 -2.581 9.215 119 HE ARG 15 HE ARG 15 6.069 -2.864 7.166 120 HH11 ARG 15 1HH2 ARG 15 4.037 -4.661 9.338 121 HH12 ARG 15 2HH2 ARG 15 5.098 -6.028 9.409 122 HH21 ARG 15 1HH1 ARG 15 7.444 -4.650 7.259 123 HH22 ARG 15 2HH1 ARG 15 7.027 -6.019 8.234 124 H SER 16 H SER 16 -0.523 -2.418 9.312 125 HA SER 16 HA SER 16 -2.913 -1.085 8.103 126 HB2 SER 16 1HB SER 16 -4.064 -1.554 10.118 127 HB3 SER 16 2HB SER 16 -3.090 -2.995 9.858 128 HG SER 16 HG SER 16 -1.546 -1.393 11.166 129 H SER 17 H SER 17 0.098 -0.388 9.426 130 HA SER 17 HA SER 17 -0.382 2.433 9.513 131 HB2 SER 17 1HB SER 17 -1.458 1.900 11.655 132 HB3 SER 17 2HB SER 17 -0.031 1.005 12.167 133 HG SER 17 HG SER 17 -0.228 3.774 11.563 134 H ALA 18 H ALA 18 1.584 3.522 10.681 135 HA ALA 18 HA ALA 18 3.955 2.573 9.348 136 HB1 ALA 18 3HB ALA 18 3.607 4.800 11.382 137 HB2 ALA 18 1HB ALA 18 3.493 4.982 9.630 138 HB3 ALA 18 2HB ALA 18 5.035 4.546 10.374 139 H SER 19 H SER 19 2.995 0.612 11.119 140 HA SER 19 HA SER 19 5.316 0.334 12.971 141 HB2 SER 19 1HB SER 19 3.796 -0.583 14.701 142 HB3 SER 19 2HB SER 19 3.396 1.089 14.317 143 HG SER 19 HG SER 19 1.882 0.067 12.743 144 H THR 20 H THR 20 6.209 -1.619 12.976 145 HA THR 20 HA THR 20 5.431 -3.561 10.989 146 HB THR 20 HB THR 20 7.362 -4.840 11.821 147 HG1 THR 20 HG1 THR 20 8.207 -2.995 13.602 148 HG21 THR 20 3HG2 THR 20 9.102 -3.144 11.396 149 HG22 THR 20 1HG2 THR 20 7.935 -1.852 11.674 150 HG23 THR 20 2HG2 THR 20 7.757 -2.919 10.278 151 H SER 21 H SER 21 4.905 -3.136 14.410 152 HA SER 21 HA SER 21 4.216 -5.820 15.080 153 HB2 SER 21 1HB SER 21 3.158 -4.820 17.059 154 HB3 SER 21 2HB SER 21 4.702 -4.028 16.746 155 HG SER 21 HG SER 21 2.092 -3.116 16.108 156 H SER 22 H SER 22 2.530 -3.318 13.340 157 HA SER 22 HA SER 22 -0.151 -3.986 13.745 158 HB2 SER 22 1HB SER 22 1.281 -2.940 11.301 159 HB3 SER 22 2HB SER 22 -0.461 -3.128 11.352 160 HG SER 22 HG SER 22 -0.461 -1.783 13.199 161 H LYS 23 H LYS 23 2.334 -5.587 11.896 162 HA LYS 23 HA LYS 23 2.429 -7.634 10.943 163 HB2 LYS 23 1HB LYS 23 0.657 -8.062 12.989 164 HB3 LYS 23 2HB LYS 23 -0.421 -8.392 11.642 165 HG2 LYS 23 1HG LYS 23 1.171 -10.098 10.797 166 HG3 LYS 23 2HG LYS 23 2.268 -9.739 12.125 167 HD2 LYS 23 1HD LYS 23 0.520 -10.426 13.760 168 HD3 LYS 23 2HD LYS 23 -0.565 -10.812 12.421 169 HE2 LYS 23 1HE LYS 23 2.134 -12.116 12.935 170 HE3 LYS 23 2HE LYS 23 0.558 -12.859 13.228 171 HZ1 LYS 23 3HZ LYS 23 0.400 -11.958 10.663 172 HZ2 LYS 23 1HZ LYS 23 0.687 -13.563 11.133 173 HZ3 LYS 23 2HZ LYS 23 1.994 -12.537 10.770 174 H VAL 24 H VAL 24 0.899 -9.099 9.378 175 HA VAL 24 HA VAL 24 0.303 -7.359 7.135 176 HB VAL 24 HB VAL 24 -0.112 -10.384 7.316 177 HG11 VAL 24 1HG1 VAL 24 0.355 -10.227 4.827 178 HG12 VAL 24 2HG1 VAL 24 0.352 -8.472 4.970 179 HG13 VAL 24 3HG1 VAL 24 -1.112 -9.391 5.308 180 HG21 VAL 24 3HG2 VAL 24 2.208 -10.578 6.384 181 HG22 VAL 24 1HG2 VAL 24 2.198 -9.908 8.014 182 HG23 VAL 24 2HG2 VAL 24 2.431 -8.849 6.629 183 H ILE 25 H ILE 25 -1.694 -7.564 5.936 184 HA ILE 25 HA ILE 25 -4.102 -8.399 7.416 185 HB ILE 25 HB ILE 25 -5.160 -6.150 7.099 186 HG12 ILE 25 1HG1 ILE 25 -2.337 -5.149 6.522 187 HG13 ILE 25 2HG1 ILE 25 -3.505 -5.410 5.244 188 HG21 ILE 25 1HG2 ILE 25 -4.122 -5.088 9.032 189 HG22 ILE 25 2HG2 ILE 25 -2.615 -5.946 8.786 190 HG23 ILE 25 3HG2 ILE 25 -4.055 -6.827 9.300 191 HD11 ILE 25 3HD1 ILE 25 -3.464 -3.067 5.912 192 HD12 ILE 25 1HD1 ILE 25 -3.822 -3.512 7.574 193 HD13 ILE 25 2HD1 ILE 25 -5.018 -3.787 6.314 194 H GLY 26 H GLY 26 -2.448 -7.517 4.511 195 HA2 GLY 26 1HA GLY 26 -4.212 -9.027 2.852 196 HA3 GLY 26 2HA GLY 26 -4.505 -7.299 2.663 197 H SER 27 H SER 27 -3.618 -8.850 0.566 198 HA SER 27 HA SER 27 -0.784 -7.947 0.177 199 HB2 SER 27 1HB SER 27 -0.523 -9.804 -1.374 200 HB3 SER 27 2HB SER 27 -1.077 -10.414 0.186 201 HG SER 27 HG SER 27 -2.791 -11.113 -0.776 202 H LEU 28 H LEU 28 -0.402 -6.616 -1.432 203 HA LEU 28 HA LEU 28 -2.637 -5.830 -3.228 204 HB2 LEU 28 1HB LEU 28 -1.256 -4.158 -1.726 205 HB3 LEU 28 2HB LEU 28 -0.009 -4.332 -2.937 206 HG LEU 28 HG LEU 28 -2.059 -3.788 -4.629 207 HD11 LEU 28 1HD1 LEU 28 -2.979 -2.387 -2.099 208 HD12 LEU 28 2HD1 LEU 28 -3.783 -3.772 -2.827 209 HD13 LEU 28 3HD1 LEU 28 -3.702 -2.249 -3.700 210 HD21 LEU 28 3HD2 LEU 28 -0.054 -2.398 -4.451 211 HD22 LEU 28 1HD2 LEU 28 -0.674 -1.641 -2.987 212 HD23 LEU 28 2HD2 LEU 28 -1.484 -1.376 -4.534 213 H SER 29 H SER 29 -2.229 -5.486 -5.441 214 HA SER 29 HA SER 29 -0.350 -7.436 -6.605 215 HB2 SER 29 1HB SER 29 -2.601 -5.816 -7.839 216 HB3 SER 29 2HB SER 29 -1.643 -7.040 -8.673 217 HG SER 29 HG SER 29 -3.784 -7.367 -7.136 218 H GLY 30 H GLY 30 1.266 -6.884 -7.981 219 HA2 GLY 30 1HA GLY 30 2.382 -4.222 -7.791 220 HA3 GLY 30 2HA GLY 30 3.023 -5.566 -8.729 221 H ASN 31 H ASN 31 2.822 -2.832 -9.565 222 HA ASN 31 HA ASN 31 2.367 -1.680 -11.491 223 HB2 ASN 31 1HB ASN 31 2.651 -4.038 -12.568 224 HB3 ASN 31 2HB ASN 31 0.902 -4.123 -12.609 225 HD21 ASN 31 2HD2 ASN 31 3.691 -2.356 -13.875 226 HD22 ASN 31 1HD2 ASN 31 2.863 -1.662 -15.184 227 H THR 32 H THR 32 0.393 -2.199 -9.190 228 HA THR 32 HA THR 32 -2.199 -1.648 -10.468 229 HB THR 32 HB THR 32 -1.462 -1.820 -7.521 230 HG1 THR 32 HG1 THR 32 -1.185 -3.736 -8.791 231 HG21 THR 32 3HG2 THR 32 -4.158 -1.792 -8.956 232 HG22 THR 32 1HG2 THR 32 -3.561 -0.559 -7.842 233 HG23 THR 32 2HG2 THR 32 -3.931 -2.173 -7.251 234 H LYS 33 H LYS 33 -3.251 0.275 -10.414 235 HA LYS 33 HA LYS 33 -1.634 2.658 -9.965 236 HB2 LYS 33 1HB LYS 33 -3.160 2.423 -11.920 237 HB3 LYS 33 2HB LYS 33 -4.533 2.402 -10.817 238 HG2 LYS 33 1HG LYS 33 -3.985 4.684 -10.027 239 HG3 LYS 33 2HG LYS 33 -2.513 4.694 -10.994 240 HD2 LYS 33 1HD LYS 33 -4.249 5.971 -12.140 241 HD3 LYS 33 2HD LYS 33 -3.884 4.517 -13.063 242 HE2 LYS 33 1HE LYS 33 -5.944 3.458 -12.372 243 HE3 LYS 33 2HE LYS 33 -6.204 4.633 -11.078 244 HZ1 LYS 33 3HZ LYS 33 -7.492 5.593 -12.596 245 HZ2 LYS 33 1HZ LYS 33 -6.730 4.831 -13.905 246 HZ3 LYS 33 2HZ LYS 33 -6.033 6.214 -13.207 247 H VAL 34 H VAL 34 -1.787 4.015 -8.296 248 HA VAL 34 HA VAL 34 -4.046 3.839 -6.384 249 HB VAL 34 HB VAL 34 -2.274 3.922 -4.497 250 HG11 VAL 34 1HG1 VAL 34 -2.463 1.379 -6.165 251 HG12 VAL 34 2HG1 VAL 34 -3.633 1.902 -4.962 252 HG13 VAL 34 3HG1 VAL 34 -2.006 1.461 -4.469 253 HG21 VAL 34 3HG2 VAL 34 -0.480 2.864 -6.739 254 HG22 VAL 34 1HG2 VAL 34 -0.053 2.964 -5.035 255 HG23 VAL 34 2HG2 VAL 34 -0.307 4.431 -5.960 256 H THR 35 H THR 35 -4.806 5.793 -6.028 257 HA THR 35 HA THR 35 -3.272 8.162 -6.781 258 HB THR 35 HB THR 35 -6.059 7.986 -5.560 259 HG1 THR 35 HG1 THR 35 -6.258 6.963 -7.422 260 HG21 THR 35 3HG2 THR 35 -5.049 10.241 -5.407 261 HG22 THR 35 1HG2 THR 35 -6.324 10.231 -6.621 262 HG23 THR 35 2HG2 THR 35 -4.636 10.190 -7.119 263 H ILE 36 H ILE 36 -1.594 8.102 -5.236 264 HA ILE 36 HA ILE 36 -1.534 7.796 -2.547 265 HB ILE 36 HB ILE 36 -0.295 10.034 -4.178 266 HG12 ILE 36 1HG1 ILE 36 1.808 8.725 -3.777 267 HG13 ILE 36 2HG1 ILE 36 0.880 7.530 -2.887 268 HG21 ILE 36 1HG2 ILE 36 0.104 9.499 -1.187 269 HG22 ILE 36 2HG2 ILE 36 -0.386 11.023 -1.940 270 HG23 ILE 36 3HG2 ILE 36 1.238 10.430 -2.158 271 HD11 ILE 36 3HD1 ILE 36 0.197 8.216 -5.772 272 HD12 ILE 36 1HD1 ILE 36 -0.221 6.768 -4.845 273 HD13 ILE 36 2HD1 ILE 36 1.435 7.035 -5.364 274 H VAL 37 H VAL 37 -2.052 8.911 -0.672 275 HA VAL 37 HA VAL 37 -3.523 11.433 -0.757 276 HB VAL 37 HB VAL 37 -5.434 10.121 0.647 277 HG11 VAL 37 1HG1 VAL 37 -5.404 9.995 -2.383 278 HG12 VAL 37 2HG1 VAL 37 -5.863 11.397 -1.444 279 HG13 VAL 37 3HG1 VAL 37 -6.816 9.921 -1.355 280 HG21 VAL 37 3HG2 VAL 37 -4.148 7.922 0.449 281 HG22 VAL 37 1HG2 VAL 37 -4.504 7.933 -1.279 282 HG23 VAL 37 2HG2 VAL 37 -5.818 7.831 -0.108 283 H GLY 38 H GLY 38 -1.340 11.607 0.372 284 HA2 GLY 38 1HA GLY 38 -0.646 12.479 2.445 285 HA3 GLY 38 2HA GLY 38 -1.835 11.496 3.288 286 H GLU 39 H GLU 39 0.628 11.569 4.270 287 HA GLU 39 HA GLU 39 1.536 8.835 3.954 288 HB2 GLU 39 1HB GLU 39 3.911 9.552 3.547 289 HB3 GLU 39 2HB GLU 39 2.838 9.922 2.196 290 HG2 GLU 39 1HG GLU 39 4.180 11.909 2.534 291 HG3 GLU 39 2HG GLU 39 2.595 12.300 3.178 292 H GLU 40 H GLU 40 2.986 8.163 5.607 293 HA GLU 40 HA GLU 40 3.513 9.987 7.817 294 HB2 GLU 40 1HB GLU 40 1.167 9.199 8.188 295 HB3 GLU 40 2HB GLU 40 1.751 7.536 8.239 296 HG2 GLU 40 1HG GLU 40 3.197 8.103 10.185 297 HG3 GLU 40 2HG GLU 40 2.636 9.772 10.119 298 H GLY 41 H GLY 41 5.429 9.500 8.653 299 HA2 GLY 41 1HA GLY 41 7.365 8.387 9.177 300 HA3 GLY 41 2HA GLY 41 6.370 6.943 9.334 301 H ALA 42 H ALA 42 8.043 5.659 8.414 302 HA ALA 42 HA ALA 42 9.039 6.168 5.754 303 HB1 ALA 42 3HB ALA 42 10.435 4.974 7.373 304 HB2 ALA 42 1HB ALA 42 10.112 3.953 5.960 305 HB3 ALA 42 2HB ALA 42 9.233 3.690 7.476 306 H PHE 43 H PHE 43 6.183 6.138 5.839 307 HA PHE 43 HA PHE 43 5.651 4.064 3.845 308 HB2 PHE 43 1HB PHE 43 3.876 4.298 6.320 309 HB3 PHE 43 2HB PHE 43 3.699 3.172 4.974 310 HD1 PHE 43 HD1 PHE 43 5.684 3.995 7.996 311 HD2 PHE 43 HD2 PHE 43 5.228 1.221 4.733 312 HE1 PHE 43 HE1 PHE 43 7.223 2.412 9.117 313 HE2 PHE 43 HE2 PHE 43 6.773 -0.353 5.860 314 HZ PHE 43 HZ PHE 43 7.770 0.241 8.052 315 H TYR 44 H TYR 44 3.660 4.401 2.726 316 HA TYR 44 HA TYR 44 2.627 7.187 2.804 317 HB2 TYR 44 1HB TYR 44 3.756 5.591 0.584 318 HB3 TYR 44 2HB TYR 44 2.177 6.265 0.193 319 HD1 TYR 44 HD1 TYR 44 5.228 7.428 2.124 320 HD2 TYR 44 HD2 TYR 44 2.327 8.380 -0.925 321 HE1 TYR 44 HE1 TYR 44 6.228 9.681 1.826 322 HE2 TYR 44 HE2 TYR 44 3.393 10.596 -1.202 323 HH TYR 44 HH TYR 44 6.053 11.424 -0.629 324 H LYS 45 H LYS 45 0.499 7.499 2.126 325 HA LYS 45 HA LYS 45 -1.260 5.250 2.894 326 HB2 LYS 45 1HB LYS 45 -1.409 7.506 4.063 327 HB3 LYS 45 2HB LYS 45 -2.017 8.181 2.554 328 HG2 LYS 45 1HG LYS 45 -3.902 6.588 2.559 329 HG3 LYS 45 2HG LYS 45 -3.282 5.820 4.023 330 HD2 LYS 45 1HD LYS 45 -3.565 7.953 5.258 331 HD3 LYS 45 2HD LYS 45 -4.228 8.694 3.812 332 HE2 LYS 45 1HE LYS 45 -6.079 7.059 3.787 333 HE3 LYS 45 2HE LYS 45 -5.412 6.290 5.233 334 HZ1 LYS 45 3HZ LYS 45 -6.281 9.115 5.034 335 HZ2 LYS 45 1HZ LYS 45 -5.662 8.357 6.419 336 HZ3 LYS 45 2HZ LYS 45 -7.156 7.861 5.779 337 H ILE 46 H ILE 46 -2.894 4.552 1.607 338 HA ILE 46 HA ILE 46 -3.352 5.727 -1.040 339 HB ILE 46 HB ILE 46 -2.981 3.485 -2.148 340 HG12 ILE 46 1HG1 ILE 46 -1.519 2.800 0.443 341 HG13 ILE 46 2HG1 ILE 46 -3.100 2.150 0.031 342 HG21 ILE 46 1HG2 ILE 46 -0.431 4.571 -0.856 343 HG22 ILE 46 2HG2 ILE 46 -1.241 5.340 -2.219 344 HG23 ILE 46 3HG2 ILE 46 -0.570 3.724 -2.391 345 HD11 ILE 46 3HD1 ILE 46 -1.413 0.531 -0.561 346 HD12 ILE 46 1HD1 ILE 46 -0.528 1.721 -1.512 347 HD13 ILE 46 2HD1 ILE 46 -2.118 1.164 -2.036 348 H GLU 47 H GLU 47 -5.026 4.396 -2.211 349 HA GLU 47 HA GLU 47 -6.972 3.116 -0.371 350 HB2 GLU 47 1HB GLU 47 -7.519 5.558 -0.587 351 HB3 GLU 47 2HB GLU 47 -7.713 5.335 -2.323 352 HG2 GLU 47 1HG GLU 47 -9.519 3.673 -1.916 353 HG3 GLU 47 2HG GLU 47 -9.307 3.857 -0.178 354 H TYR 48 H TYR 48 -6.980 1.151 -1.227 355 HA TYR 48 HA TYR 48 -7.881 0.857 -4.027 356 HB2 TYR 48 1HB TYR 48 -5.323 0.584 -3.782 357 HB3 TYR 48 2HB TYR 48 -5.652 -0.884 -2.877 358 HD1 TYR 48 HD2 TYR 48 -6.487 0.853 -6.114 359 HD2 TYR 48 HD1 TYR 48 -6.051 -2.948 -4.125 360 HE1 TYR 48 HE2 TYR 48 -6.868 -0.325 -8.259 361 HE2 TYR 48 HE1 TYR 48 -6.438 -4.106 -6.284 362 HH TYR 48 HH TYR 48 -6.383 -2.476 -9.278 363 H LYS 49 H LYS 49 -8.711 -1.305 -4.466 364 HA LYS 49 HA LYS 49 -10.293 -2.910 -3.989 365 HB2 LYS 49 1HB LYS 49 -8.130 -3.230 -1.895 366 HB3 LYS 49 2HB LYS 49 -9.565 -4.210 -1.692 367 HG2 LYS 49 1HG LYS 49 -8.194 -4.160 -4.408 368 HG3 LYS 49 2HG LYS 49 -7.499 -5.138 -3.126 369 HD2 LYS 49 1HD LYS 49 -9.638 -6.359 -2.873 370 HD3 LYS 49 2HD LYS 49 -10.371 -5.355 -4.119 371 HE2 LYS 49 1HE LYS 49 -7.981 -7.188 -4.538 372 HE3 LYS 49 2HE LYS 49 -9.636 -7.531 -5.049 373 HZ1 LYS 49 3HZ LYS 49 -9.536 -5.388 -6.306 374 HZ2 LYS 49 1HZ LYS 49 -8.531 -6.617 -6.903 375 HZ3 LYS 49 2HZ LYS 49 -7.868 -5.349 -5.987 376 H GLY 50 H GLY 50 -10.725 -0.154 -2.924 377 HA2 GLY 50 1HA GLY 50 -12.460 0.897 -1.830 378 HA3 GLY 50 2HA GLY 50 -13.118 -0.682 -1.398 379 H SER 51 H SER 51 -10.078 -1.010 -0.426 380 HA SER 51 HA SER 51 -10.537 -0.016 2.334 381 HB2 SER 51 1HB SER 51 -8.783 -2.308 1.369 382 HB3 SER 51 2HB SER 51 -9.005 -1.806 3.045 383 HG SER 51 HG SER 51 -10.654 -3.248 1.377 384 H HIS 52 H HIS 52 -8.383 0.250 3.497 385 HA HIS 52 HA HIS 52 -6.395 1.696 1.792 386 HB2 HIS 52 1HB HIS 52 -6.266 3.443 3.537 387 HB3 HIS 52 2HB HIS 52 -7.889 3.347 2.852 388 HD1 HIS 52 HD1 HIS 52 -5.931 2.327 5.928 389 HD2 HIS 52 HD2 HIS 52 -9.895 2.650 4.682 390 HE1 HIS 52 HE1 HIS 52 -7.359 1.958 7.986 391 HE2 HIS 52 HE2 HIS 52 -9.779 2.152 7.243 392 H GLY 53 H GLY 53 -4.346 1.263 2.236 393 HA2 GLY 53 1HA GLY 53 -3.546 0.057 4.824 394 HA3 GLY 53 2HA GLY 53 -3.221 -0.832 3.340 395 H TYR 54 H TYR 54 -1.321 0.212 5.242 396 HA TYR 54 HA TYR 54 -0.003 2.480 3.890 397 HB2 TYR 54 1HB TYR 54 0.697 0.895 6.387 398 HB3 TYR 54 2HB TYR 54 1.616 2.268 5.791 399 HD1 TYR 54 HD2 TYR 54 -1.798 1.233 6.928 400 HD2 TYR 54 HD1 TYR 54 0.890 4.547 6.288 401 HE1 TYR 54 HE2 TYR 54 -3.387 2.760 8.059 402 HE2 TYR 54 HE1 TYR 54 -0.721 6.057 7.414 403 HH TYR 54 HH TYR 54 -3.374 5.958 7.787 404 H VAL 55 H VAL 55 1.954 2.347 2.878 405 HA VAL 55 HA VAL 55 3.262 -0.285 2.563 406 HB VAL 55 HB VAL 55 2.554 1.458 0.156 407 HG11 VAL 55 1HG1 VAL 55 4.550 0.016 -0.111 408 HG12 VAL 55 2HG1 VAL 55 3.224 -0.555 -1.119 409 HG13 VAL 55 3HG1 VAL 55 3.599 -1.378 0.387 410 HG21 VAL 55 3HG2 VAL 55 1.146 -1.020 1.247 411 HG22 VAL 55 1HG2 VAL 55 0.876 -0.363 -0.368 412 HG23 VAL 55 2HG2 VAL 55 0.452 0.589 1.048 413 H ALA 56 H ALA 56 5.413 -0.199 2.127 414 HA ALA 56 HA ALA 56 6.845 2.058 3.045 415 HB1 ALA 56 3HB ALA 56 8.841 0.835 2.352 416 HB2 ALA 56 1HB ALA 56 7.870 -0.257 1.358 417 HB3 ALA 56 2HB ALA 56 7.705 -0.276 3.113 418 H LYS 57 H LYS 57 7.802 3.721 1.991 419 HA LYS 57 HA LYS 57 7.022 4.207 -0.820 420 HB2 LYS 57 1HB LYS 57 8.058 6.479 -0.365 421 HB3 LYS 57 2HB LYS 57 6.664 6.074 0.637 422 HG2 LYS 57 1HG LYS 57 8.007 5.575 2.557 423 HG3 LYS 57 2HG LYS 57 9.502 5.510 1.623 424 HD2 LYS 57 1HD LYS 57 9.497 7.895 1.243 425 HD3 LYS 57 2HD LYS 57 7.864 8.048 1.873 426 HE2 LYS 57 1HE LYS 57 9.793 8.721 3.478 427 HE3 LYS 57 2HE LYS 57 8.545 7.656 4.111 428 HZ1 LYS 57 3HZ LYS 57 10.938 6.972 4.526 429 HZ2 LYS 57 1HZ LYS 57 11.027 6.608 2.871 430 HZ3 LYS 57 2HZ LYS 57 9.922 5.782 3.862 431 H GLU 58 H GLU 58 9.809 3.336 1.074 432 HA GLU 58 HA GLU 58 11.815 4.168 -0.747 433 HB2 GLU 58 1HB GLU 58 12.188 3.529 1.678 434 HB3 GLU 58 2HB GLU 58 11.969 1.843 1.224 435 HG2 GLU 58 1HG GLU 58 14.371 2.328 1.265 436 HG3 GLU 58 2HG GLU 58 13.898 2.083 -0.407 437 H TYR 59 H TYR 59 9.934 1.219 -0.415 438 HA TYR 59 HA TYR 59 11.366 -0.312 -2.371 439 HB2 TYR 59 1HB TYR 59 8.662 -0.543 -1.020 440 HB3 TYR 59 2HB TYR 59 9.073 -1.642 -2.334 441 HD1 TYR 59 HD1 TYR 59 10.458 -0.275 0.896 442 HD2 TYR 59 HD2 TYR 59 10.345 -3.634 -1.805 443 HE1 TYR 59 HE1 TYR 59 11.796 -1.618 2.491 444 HE2 TYR 59 HE2 TYR 59 11.683 -4.957 -0.199 445 HH TYR 59 HH TYR 59 12.829 -4.925 1.680 446 H ILE 60 H ILE 60 8.737 1.999 -2.498 447 HA ILE 60 HA ILE 60 8.059 1.389 -5.267 448 HB ILE 60 HB ILE 60 7.210 3.730 -3.511 449 HG12 ILE 60 1HG1 ILE 60 5.719 1.116 -4.102 450 HG13 ILE 60 2HG1 ILE 60 6.582 1.424 -2.605 451 HG21 ILE 60 1HG2 ILE 60 6.887 4.133 -5.951 452 HG22 ILE 60 2HG2 ILE 60 5.339 3.913 -5.159 453 HG23 ILE 60 3HG2 ILE 60 6.046 2.597 -6.085 454 HD11 ILE 60 3HD1 ILE 60 4.227 3.029 -3.646 455 HD12 ILE 60 1HD1 ILE 60 5.124 3.390 -2.174 456 HD13 ILE 60 2HD1 ILE 60 4.200 1.897 -2.299 Start of MODEL 2 1 H1 MET 1 1H MET 1 5.484 10.871 -9.774 2 H2 MET 1 2H MET 1 5.453 11.916 -8.435 3 H3 MET 1 3H MET 1 6.119 12.438 -9.908 4 HA MET 1 HA MET 1 4.087 13.438 -10.016 5 HB2 MET 1 1HB MET 1 3.636 10.633 -11.122 6 HB3 MET 1 2HB MET 1 2.672 12.049 -11.537 7 HG2 MET 1 1HG MET 1 4.703 13.163 -12.442 8 HG3 MET 1 2HG MET 1 5.654 11.728 -12.049 9 HE1 MET 1 3HE MET 1 5.593 11.422 -15.843 10 HE2 MET 1 1HE MET 1 6.533 11.205 -14.360 11 HE3 MET 1 2HE MET 1 5.882 12.789 -14.771 12 H LYS 2 H LYS 2 1.560 12.864 -9.906 13 HA LYS 2 HA LYS 2 0.944 12.543 -7.143 14 HB2 LYS 2 1HB LYS 2 -0.876 12.451 -9.577 15 HB3 LYS 2 2HB LYS 2 -1.422 12.637 -7.903 16 HG2 LYS 2 1HG LYS 2 -0.098 14.738 -7.716 17 HG3 LYS 2 2HG LYS 2 0.411 14.558 -9.399 18 HD2 LYS 2 1HD LYS 2 -1.966 14.681 -10.126 19 HD3 LYS 2 2HD LYS 2 -2.468 14.872 -8.446 20 HE2 LYS 2 1HE LYS 2 -1.148 16.965 -8.288 21 HE3 LYS 2 2HE LYS 2 -0.648 16.774 -9.971 22 HZ1 LYS 2 3HZ LYS 2 -2.459 18.031 -10.331 23 HZ2 LYS 2 1HZ LYS 2 -3.208 17.591 -8.875 24 HZ3 LYS 2 2HZ LYS 2 -3.279 16.547 -10.213 25 H THR 3 H THR 3 1.330 10.334 -9.724 26 HA THR 3 HA THR 3 0.399 8.084 -8.007 27 HB THR 3 HB THR 3 -0.814 7.080 -9.787 28 HG1 THR 3 HG1 THR 3 1.063 8.315 -11.281 29 HG21 THR 3 3HG2 THR 3 -1.199 10.011 -10.495 30 HG22 THR 3 1HG2 THR 3 -1.859 9.326 -9.022 31 HG23 THR 3 2HG2 THR 3 -2.399 8.733 -10.580 32 H GLY 4 H GLY 4 1.436 6.120 -8.357 33 HA2 GLY 4 1HA GLY 4 3.907 6.111 -9.994 34 HA3 GLY 4 2HA GLY 4 3.994 5.762 -8.278 35 H ILE 5 H ILE 5 4.766 3.988 -10.303 36 HA ILE 5 HA ILE 5 2.677 1.849 -10.235 37 HB ILE 5 HB ILE 5 4.199 0.783 -12.023 38 HG12 ILE 5 1HG1 ILE 5 5.372 3.611 -12.185 39 HG13 ILE 5 2HG1 ILE 5 6.213 2.261 -11.440 40 HG21 ILE 5 1HG2 ILE 5 3.281 2.206 -13.839 41 HG22 ILE 5 2HG2 ILE 5 2.886 3.458 -12.663 42 HG23 ILE 5 3HG2 ILE 5 2.071 1.892 -12.598 43 HD11 ILE 5 3HD1 ILE 5 6.136 1.017 -13.572 44 HD12 ILE 5 1HD1 ILE 5 6.972 2.558 -13.748 45 HD13 ILE 5 2HD1 ILE 5 5.319 2.379 -14.334 46 H VAL 6 H VAL 6 3.011 0.019 -9.185 47 HA VAL 6 HA VAL 6 4.836 -0.188 -7.094 48 HB VAL 6 HB VAL 6 3.611 -2.504 -8.645 49 HG11 VAL 6 1HG1 VAL 6 4.539 -2.268 -5.756 50 HG12 VAL 6 2HG1 VAL 6 5.338 -3.213 -7.008 51 HG13 VAL 6 3HG1 VAL 6 3.740 -3.681 -6.447 52 HG21 VAL 6 3HG2 VAL 6 1.872 -0.876 -7.988 53 HG22 VAL 6 1HG2 VAL 6 2.470 -0.875 -6.333 54 HG23 VAL 6 2HG2 VAL 6 1.742 -2.327 -7.019 55 H ASN 7 H ASN 7 6.998 -0.132 -7.295 56 HA ASN 7 HA ASN 7 8.515 -0.737 -9.582 57 HB2 ASN 7 1HB ASN 7 9.361 -0.856 -6.673 58 HB3 ASN 7 2HB ASN 7 10.466 -0.786 -8.043 59 HD21 ASN 7 2HD2 ASN 7 8.009 1.102 -9.115 60 HD22 ASN 7 1HD2 ASN 7 8.496 2.609 -8.504 61 H VAL 8 H VAL 8 7.617 -2.710 -10.368 62 HA VAL 8 HA VAL 8 7.421 -4.957 -10.636 63 HB VAL 8 HB VAL 8 10.199 -5.108 -9.361 64 HG11 VAL 8 1HG1 VAL 8 9.038 -6.551 -11.796 65 HG12 VAL 8 2HG1 VAL 8 9.107 -7.251 -10.188 66 HG13 VAL 8 3HG1 VAL 8 10.596 -6.860 -11.033 67 HG21 VAL 8 3HG2 VAL 8 9.510 -4.054 -12.134 68 HG22 VAL 8 1HG2 VAL 8 11.138 -4.446 -11.579 69 HG23 VAL 8 2HG2 VAL 8 10.246 -3.134 -10.821 70 H SER 9 H SER 9 9.325 -6.474 -8.491 71 HA SER 9 HA SER 9 8.969 -7.743 -6.626 72 HB2 SER 9 1HB SER 9 7.251 -5.397 -5.715 73 HB3 SER 9 2HB SER 9 7.965 -6.629 -4.685 74 HG SER 9 HG SER 9 9.592 -5.290 -4.642 75 H SER 10 H SER 10 7.647 -9.441 -6.089 76 HA SER 10 HA SER 10 5.427 -10.092 -7.644 77 HB2 SER 10 1HB SER 10 6.118 -11.057 -4.853 78 HB3 SER 10 2HB SER 10 5.004 -11.863 -5.960 79 HG SER 10 HG SER 10 7.328 -12.539 -5.895 80 H SER 11 H SER 11 5.276 -9.303 -4.161 81 HA SER 11 HA SER 11 2.906 -7.598 -4.569 82 HB2 SER 11 1HB SER 11 2.885 -10.088 -2.840 83 HB3 SER 11 2HB SER 11 1.610 -8.871 -2.876 84 HG SER 11 HG SER 11 0.972 -10.326 -4.350 85 H LEU 12 H LEU 12 2.418 -6.303 -2.779 86 HA LEU 12 HA LEU 12 4.712 -5.843 -0.931 87 HB2 LEU 12 1HB LEU 12 2.603 -4.062 -2.157 88 HB3 LEU 12 2HB LEU 12 3.334 -3.562 -0.643 89 HG LEU 12 HG LEU 12 4.492 -2.577 -2.622 90 HD11 LEU 12 1HD1 LEU 12 5.756 -3.474 -0.375 91 HD12 LEU 12 2HD1 LEU 12 6.586 -2.657 -1.684 92 HD13 LEU 12 3HD1 LEU 12 6.637 -4.413 -1.583 93 HD21 LEU 12 3HD2 LEU 12 4.021 -4.671 -4.109 94 HD22 LEU 12 1HD2 LEU 12 5.477 -5.356 -3.380 95 HD23 LEU 12 2HD2 LEU 12 5.577 -3.872 -4.303 96 H ASN 13 H ASN 13 4.479 -5.751 1.217 97 HA ASN 13 HA ASN 13 2.185 -7.149 2.386 98 HB2 ASN 13 1HB ASN 13 3.614 -7.029 4.447 99 HB3 ASN 13 2HB ASN 13 4.440 -7.767 3.077 100 HD21 ASN 13 2HD2 ASN 13 6.157 -6.517 2.008 101 HD22 ASN 13 1HD2 ASN 13 6.863 -5.181 2.784 102 H VAL 14 H VAL 14 0.456 -5.788 2.407 103 HA VAL 14 HA VAL 14 0.664 -3.010 3.242 104 HB VAL 14 HB VAL 14 -1.865 -3.096 3.041 105 HG11 VAL 14 1HG1 VAL 14 -0.479 -2.461 1.088 106 HG12 VAL 14 2HG1 VAL 14 -1.891 -3.378 0.567 107 HG13 VAL 14 3HG1 VAL 14 -0.310 -4.158 0.640 108 HG21 VAL 14 3HG2 VAL 14 -2.877 -5.134 2.050 109 HG22 VAL 14 1HG2 VAL 14 -2.171 -5.500 3.613 110 HG23 VAL 14 2HG2 VAL 14 -1.330 -5.958 2.143 111 H ARG 15 H ARG 15 0.275 -2.215 5.209 112 HA ARG 15 HA ARG 15 -0.461 -4.059 7.452 113 HB2 ARG 15 1HB ARG 15 1.422 -1.685 7.314 114 HB3 ARG 15 2HB ARG 15 0.967 -2.487 8.816 115 HG2 ARG 15 1HG ARG 15 2.071 -4.538 8.203 116 HG3 ARG 15 2HG ARG 15 2.191 -4.080 6.508 117 HD2 ARG 15 1HD ARG 15 3.609 -2.454 8.642 118 HD3 ARG 15 2HD ARG 15 4.351 -3.912 7.952 119 HE ARG 15 HE ARG 15 3.365 -2.171 5.900 120 HH11 ARG 15 1HH2 ARG 15 5.914 -2.619 8.185 121 HH12 ARG 15 2HH2 ARG 15 7.090 -1.748 7.261 122 HH21 ARG 15 1HH1 ARG 15 4.885 -1.038 4.669 123 HH22 ARG 15 2HH1 ARG 15 6.507 -0.868 5.246 124 H SER 16 H SER 16 -0.990 -2.493 9.406 125 HA SER 16 HA SER 16 -3.431 -1.043 8.562 126 HB2 SER 16 1HB SER 16 -4.056 -1.156 10.881 127 HB3 SER 16 2HB SER 16 -3.376 -2.727 10.452 128 HG SER 16 HG SER 16 -1.488 -0.938 11.259 129 H SER 17 H SER 17 -0.198 -0.397 9.586 130 HA SER 17 HA SER 17 -0.359 2.393 9.091 131 HB2 SER 17 1HB SER 17 -0.047 3.217 11.445 132 HB3 SER 17 2HB SER 17 -1.629 2.509 11.198 133 HG SER 17 HG SER 17 -0.374 1.813 13.104 134 H ALA 18 H ALA 18 1.623 3.457 10.463 135 HA ALA 18 HA ALA 18 4.002 2.313 9.410 136 HB1 ALA 18 3HB ALA 18 3.745 4.724 9.925 137 HB2 ALA 18 1HB ALA 18 5.170 4.049 10.724 138 HB3 ALA 18 2HB ALA 18 3.695 4.343 11.648 139 H SER 19 H SER 19 2.291 0.720 11.437 140 HA SER 19 HA SER 19 4.345 -0.045 13.448 141 HB2 SER 19 1HB SER 19 1.393 -0.676 13.214 142 HB3 SER 19 2HB SER 19 2.445 -1.284 14.493 143 HG SER 19 HG SER 19 2.184 1.466 13.871 144 H THR 20 H THR 20 5.748 -1.328 12.310 145 HA THR 20 HA THR 20 5.013 -3.299 10.405 146 HB THR 20 HB THR 20 7.563 -3.426 12.055 147 HG1 THR 20 HG1 THR 20 8.122 -1.977 10.065 148 HG21 THR 20 3HG2 THR 20 7.013 -3.931 9.097 149 HG22 THR 20 1HG2 THR 20 7.152 -5.197 10.313 150 HG23 THR 20 2HG2 THR 20 8.543 -4.193 9.927 151 H SER 21 H SER 21 4.355 -3.200 13.626 152 HA SER 21 HA SER 21 4.563 -6.115 14.120 153 HB2 SER 21 1HB SER 21 4.122 -5.545 16.430 154 HB3 SER 21 2HB SER 21 5.366 -4.454 15.822 155 HG SER 21 HG SER 21 4.002 -2.830 15.921 156 H SER 22 H SER 22 2.386 -3.954 12.794 157 HA SER 22 HA SER 22 -0.078 -4.965 13.944 158 HB2 SER 22 1HB SER 22 -1.142 -3.658 12.128 159 HB3 SER 22 2HB SER 22 0.039 -2.694 13.005 160 HG SER 22 HG SER 22 0.132 -2.657 10.623 161 H LYS 23 H LYS 23 2.186 -6.268 11.874 162 HA LYS 23 HA LYS 23 2.224 -8.107 10.561 163 HB2 LYS 23 1HB LYS 23 0.376 -8.743 12.501 164 HB3 LYS 23 2HB LYS 23 -0.653 -8.882 11.085 165 HG2 LYS 23 1HG LYS 23 0.969 -10.495 10.083 166 HG3 LYS 23 2HG LYS 23 1.994 -10.339 11.507 167 HD2 LYS 23 1HD LYS 23 0.162 -11.210 12.935 168 HD3 LYS 23 2HD LYS 23 -0.872 -11.364 11.515 169 HE2 LYS 23 1HE LYS 23 0.727 -12.973 10.516 170 HE3 LYS 23 2HE LYS 23 1.764 -12.824 11.941 171 HZ1 LYS 23 3HZ LYS 23 -1.036 -13.794 11.895 172 HZ2 LYS 23 1HZ LYS 23 -0.104 -13.579 13.295 173 HZ3 LYS 23 2HZ LYS 23 0.356 -14.738 12.140 174 H VAL 24 H VAL 24 0.237 -9.291 8.975 175 HA VAL 24 HA VAL 24 -0.131 -7.206 6.914 176 HB VAL 24 HB VAL 24 -0.544 -10.227 6.695 177 HG11 VAL 24 1HG1 VAL 24 -0.280 -8.005 4.602 178 HG12 VAL 24 2HG1 VAL 24 -1.680 -9.040 4.882 179 HG13 VAL 24 3HG1 VAL 24 -0.209 -9.724 4.216 180 HG21 VAL 24 3HG2 VAL 24 1.717 -10.256 5.637 181 HG22 VAL 24 1HG2 VAL 24 1.794 -9.758 7.325 182 HG23 VAL 24 2HG2 VAL 24 1.924 -8.552 6.044 183 H ILE 25 H ILE 25 -2.117 -7.090 5.769 184 HA ILE 25 HA ILE 25 -4.555 -8.022 7.211 185 HB ILE 25 HB ILE 25 -5.540 -5.765 7.039 186 HG12 ILE 25 1HG1 ILE 25 -2.764 -4.823 6.159 187 HG13 ILE 25 2HG1 ILE 25 -4.117 -4.990 5.059 188 HG21 ILE 25 1HG2 ILE 25 -4.271 -4.721 8.871 189 HG22 ILE 25 2HG2 ILE 25 -2.847 -5.677 8.485 190 HG23 ILE 25 3HG2 ILE 25 -4.290 -6.466 9.122 191 HD11 ILE 25 3HD1 ILE 25 -3.954 -3.127 7.421 192 HD12 ILE 25 1HD1 ILE 25 -5.401 -3.359 6.441 193 HD13 ILE 25 2HD1 ILE 25 -3.945 -2.692 5.718 194 H GLY 26 H GLY 26 -2.892 -7.231 4.302 195 HA2 GLY 26 1HA GLY 26 -4.988 -8.477 2.695 196 HA3 GLY 26 2HA GLY 26 -4.729 -6.757 2.389 197 H SER 27 H SER 27 -4.069 -7.281 0.268 198 HA SER 27 HA SER 27 -1.200 -7.731 0.046 199 HB2 SER 27 1HB SER 27 -1.350 -9.650 -1.451 200 HB3 SER 27 2HB SER 27 -2.140 -10.048 0.074 201 HG SER 27 HG SER 27 -3.223 -9.555 -2.451 202 H LEU 28 H LEU 28 -0.371 -7.031 -1.900 203 HA LEU 28 HA LEU 28 -2.275 -5.703 -3.782 204 HB2 LEU 28 1HB LEU 28 -0.751 -4.236 -2.147 205 HB3 LEU 28 2HB LEU 28 0.518 -4.641 -3.285 206 HG LEU 28 HG LEU 28 -1.273 -3.809 -5.121 207 HD11 LEU 28 1HD1 LEU 28 -2.735 -2.015 -4.346 208 HD12 LEU 28 2HD1 LEU 28 -2.176 -2.224 -2.686 209 HD13 LEU 28 3HD1 LEU 28 -3.120 -3.487 -3.465 210 HD21 LEU 28 3HD2 LEU 28 -0.351 -1.510 -5.007 211 HD22 LEU 28 1HD2 LEU 28 0.910 -2.714 -4.755 212 HD23 LEU 28 2HD2 LEU 28 0.253 -1.832 -3.380 213 H SER 29 H SER 29 -1.629 -5.549 -5.943 214 HA SER 29 HA SER 29 0.159 -7.763 -6.841 215 HB2 SER 29 1HB SER 29 -1.098 -7.627 -8.940 216 HB3 SER 29 2HB SER 29 -2.208 -7.818 -7.584 217 HG SER 29 HG SER 29 -2.779 -5.723 -7.747 218 H GLY 30 H GLY 30 1.476 -7.381 -8.703 219 HA2 GLY 30 1HA GLY 30 2.918 -4.851 -8.542 220 HA3 GLY 30 2HA GLY 30 3.327 -6.214 -9.570 221 H ASN 31 H ASN 31 3.524 -3.711 -10.600 222 HA ASN 31 HA ASN 31 2.891 -2.370 -12.369 223 HB2 ASN 31 1HB ASN 31 1.226 -4.787 -13.206 224 HB3 ASN 31 2HB ASN 31 1.779 -3.479 -14.247 225 HD21 ASN 31 2HD2 ASN 31 2.431 -6.554 -13.973 226 HD22 ASN 31 1HD2 ASN 31 4.126 -6.573 -14.065 227 H THR 32 H THR 32 1.166 -2.624 -9.872 228 HA THR 32 HA THR 32 -1.501 -1.873 -10.856 229 HB THR 32 HB THR 32 -0.499 -2.019 -7.977 230 HG1 THR 32 HG1 THR 32 -0.686 -3.942 -9.628 231 HG21 THR 32 3HG2 THR 32 -2.573 -0.710 -8.187 232 HG22 THR 32 1HG2 THR 32 -2.953 -2.291 -7.505 233 HG23 THR 32 2HG2 THR 32 -3.292 -1.963 -9.199 234 H LYS 33 H LYS 33 -2.463 0.108 -10.421 235 HA LYS 33 HA LYS 33 -0.563 2.358 -10.102 236 HB2 LYS 33 1HB LYS 33 -2.059 2.091 -12.203 237 HB3 LYS 33 2HB LYS 33 -3.412 2.561 -11.176 238 HG2 LYS 33 1HG LYS 33 -2.228 4.664 -10.581 239 HG3 LYS 33 2HG LYS 33 -0.863 4.190 -11.595 240 HD2 LYS 33 1HD LYS 33 -2.341 4.191 -13.591 241 HD3 LYS 33 2HD LYS 33 -3.699 4.689 -12.579 242 HE2 LYS 33 1HE LYS 33 -2.682 6.650 -13.705 243 HE3 LYS 33 2HE LYS 33 -2.470 6.756 -11.961 244 HZ1 LYS 33 3HZ LYS 33 -0.247 6.104 -12.115 245 HZ2 LYS 33 1HZ LYS 33 -0.444 7.201 -13.395 246 HZ3 LYS 33 2HZ LYS 33 -0.423 5.531 -13.705 247 H VAL 34 H VAL 34 -1.067 4.094 -8.773 248 HA VAL 34 HA VAL 34 -3.372 4.013 -7.002 249 HB VAL 34 HB VAL 34 -1.915 2.409 -5.872 250 HG11 VAL 34 1HG1 VAL 34 0.349 3.012 -5.104 251 HG12 VAL 34 2HG1 VAL 34 0.217 4.585 -5.886 252 HG13 VAL 34 3HG1 VAL 34 0.248 3.115 -6.861 253 HG21 VAL 34 3HG2 VAL 34 -3.215 4.108 -4.499 254 HG22 VAL 34 1HG2 VAL 34 -1.745 5.080 -4.388 255 HG23 VAL 34 2HG2 VAL 34 -1.790 3.472 -3.696 256 H THR 35 H THR 35 -3.769 5.975 -6.064 257 HA THR 35 HA THR 35 -2.009 8.235 -6.909 258 HB THR 35 HB THR 35 -4.932 8.282 -6.063 259 HG1 THR 35 HG1 THR 35 -4.968 7.441 -8.017 260 HG21 THR 35 3HG2 THR 35 -3.074 10.450 -7.160 261 HG22 THR 35 1HG2 THR 35 -3.876 10.449 -5.588 262 HG23 THR 35 2HG2 THR 35 -4.822 10.614 -7.062 263 H ILE 36 H ILE 36 -0.578 8.601 -5.325 264 HA ILE 36 HA ILE 36 -0.666 8.042 -2.657 265 HB ILE 36 HB ILE 36 0.406 10.716 -3.678 266 HG12 ILE 36 1HG1 ILE 36 1.236 9.105 -5.279 267 HG13 ILE 36 2HG1 ILE 36 2.553 9.405 -4.166 268 HG21 ILE 36 1HG2 ILE 36 2.129 10.359 -1.951 269 HG22 ILE 36 2HG2 ILE 36 1.382 8.819 -1.533 270 HG23 ILE 36 3HG2 ILE 36 0.514 10.335 -1.239 271 HD11 ILE 36 3HD1 ILE 36 0.795 6.965 -4.398 272 HD12 ILE 36 1HD1 ILE 36 1.755 7.263 -2.945 273 HD13 ILE 36 2HD1 ILE 36 2.548 7.073 -4.514 274 H VAL 37 H VAL 37 -1.685 8.793 -0.821 275 HA VAL 37 HA VAL 37 -3.073 11.347 -0.685 276 HB VAL 37 HB VAL 37 -5.320 10.133 -0.140 277 HG11 VAL 37 1HG1 VAL 37 -6.154 10.338 -2.376 278 HG12 VAL 37 2HG1 VAL 37 -4.624 9.924 -3.100 279 HG13 VAL 37 3HG1 VAL 37 -4.820 11.479 -2.324 280 HG21 VAL 37 3HG2 VAL 37 -5.631 7.932 -1.285 281 HG22 VAL 37 1HG2 VAL 37 -4.436 7.827 -0.012 282 HG23 VAL 37 2HG2 VAL 37 -3.926 7.891 -1.677 283 H GLY 38 H GLY 38 -1.752 11.684 1.074 284 HA2 GLY 38 1HA GLY 38 -2.017 11.940 3.462 285 HA3 GLY 38 2HA GLY 38 -2.519 10.262 3.602 286 H GLU 39 H GLU 39 -0.025 12.341 4.077 287 HA GLU 39 HA GLU 39 2.152 10.347 3.609 288 HB2 GLU 39 1HB GLU 39 3.666 12.209 3.609 289 HB3 GLU 39 2HB GLU 39 2.269 12.755 2.690 290 HG2 GLU 39 1HG GLU 39 2.947 13.518 5.565 291 HG3 GLU 39 2HG GLU 39 2.982 14.557 4.153 292 H GLU 40 H GLU 40 3.114 9.401 5.289 293 HA GLU 40 HA GLU 40 3.031 10.582 7.968 294 HB2 GLU 40 1HB GLU 40 0.902 9.262 7.728 295 HB3 GLU 40 2HB GLU 40 1.858 7.812 7.441 296 HG2 GLU 40 1HG GLU 40 2.928 8.080 9.671 297 HG3 GLU 40 2HG GLU 40 1.988 9.540 9.949 298 H GLY 41 H GLY 41 5.193 10.644 8.172 299 HA2 GLY 41 1HA GLY 41 7.348 9.945 8.467 300 HA3 GLY 41 2HA GLY 41 6.662 8.382 8.900 301 H ALA 42 H ALA 42 8.300 7.208 7.851 302 HA ALA 42 HA ALA 42 8.958 7.609 5.054 303 HB1 ALA 42 3HB ALA 42 9.510 5.247 6.879 304 HB2 ALA 42 1HB ALA 42 10.603 6.598 6.574 305 HB3 ALA 42 2HB ALA 42 10.204 5.471 5.262 306 H PHE 43 H PHE 43 6.082 6.934 6.056 307 HA PHE 43 HA PHE 43 5.498 4.865 3.986 308 HB2 PHE 43 1HB PHE 43 4.150 5.028 6.720 309 HB3 PHE 43 2HB PHE 43 3.857 3.825 5.460 310 HD1 PHE 43 HD2 PHE 43 6.427 5.170 7.818 311 HD2 PHE 43 HD1 PHE 43 5.359 1.877 5.238 312 HE1 PHE 43 HE2 PHE 43 8.307 3.843 8.727 313 HE2 PHE 43 HE1 PHE 43 7.265 0.566 6.156 314 HZ PHE 43 HZ PHE 43 8.730 1.545 7.898 315 H TYR 44 H TYR 44 3.381 4.949 3.158 316 HA TYR 44 HA TYR 44 1.934 7.532 3.479 317 HB2 TYR 44 1HB TYR 44 3.146 6.299 1.029 318 HB3 TYR 44 2HB TYR 44 1.486 6.827 0.801 319 HD1 TYR 44 HD1 TYR 44 4.905 7.964 1.835 320 HD2 TYR 44 HD2 TYR 44 0.917 9.186 0.805 321 HE1 TYR 44 HE1 TYR 44 5.634 10.347 1.687 322 HE2 TYR 44 HE2 TYR 44 1.683 11.522 0.605 323 HH TYR 44 HH TYR 44 4.624 12.444 0.187 324 H LYS 45 H LYS 45 -0.238 7.448 2.666 325 HA LYS 45 HA LYS 45 -1.522 4.869 3.431 326 HB2 LYS 45 1HB LYS 45 -2.007 6.897 4.825 327 HB3 LYS 45 2HB LYS 45 -2.704 7.660 3.412 328 HG2 LYS 45 1HG LYS 45 -4.394 5.837 3.244 329 HG3 LYS 45 2HG LYS 45 -3.646 5.006 4.595 330 HD2 LYS 45 1HD LYS 45 -5.612 6.151 5.418 331 HD3 LYS 45 2HD LYS 45 -4.189 6.964 6.070 332 HE2 LYS 45 1HE LYS 45 -6.020 8.524 5.200 333 HE3 LYS 45 2HE LYS 45 -4.443 8.810 4.487 334 HZ1 LYS 45 3HZ LYS 45 -6.451 8.639 2.945 335 HZ2 LYS 45 1HZ LYS 45 -6.375 6.969 3.228 336 HZ3 LYS 45 2HZ LYS 45 -5.056 7.769 2.517 337 H ILE 46 H ILE 46 -2.622 3.795 1.980 338 HA ILE 46 HA ILE 46 -3.453 5.101 -0.572 339 HB ILE 46 HB ILE 46 -2.979 2.944 -1.675 340 HG12 ILE 46 1HG1 ILE 46 -1.662 2.094 0.948 341 HG13 ILE 46 2HG1 ILE 46 -3.235 1.508 0.438 342 HG21 ILE 46 1HG2 ILE 46 -0.588 4.065 -0.137 343 HG22 ILE 46 2HG2 ILE 46 -1.239 4.739 -1.631 344 HG23 ILE 46 3HG2 ILE 46 -0.495 3.142 -1.634 345 HD11 ILE 46 3HD1 ILE 46 -2.202 0.582 -1.622 346 HD12 ILE 46 1HD1 ILE 46 -1.539 -0.117 -0.145 347 HD13 ILE 46 2HD1 ILE 46 -0.621 1.100 -1.031 348 H GLU 47 H GLU 47 -5.123 3.816 -1.687 349 HA GLU 47 HA GLU 47 -7.123 2.620 0.197 350 HB2 GLU 47 1HB GLU 47 -8.861 3.874 -1.297 351 HB3 GLU 47 2HB GLU 47 -7.986 4.824 -0.098 352 HG2 GLU 47 1HG GLU 47 -6.437 5.668 -1.798 353 HG3 GLU 47 2HG GLU 47 -7.155 4.646 -3.028 354 H TYR 48 H TYR 48 -6.973 0.549 -0.442 355 HA TYR 48 HA TYR 48 -7.802 -0.079 -3.209 356 HB2 TYR 48 1HB TYR 48 -5.101 -0.382 -2.319 357 HB3 TYR 48 2HB TYR 48 -5.750 -2.009 -2.221 358 HD1 TYR 48 HD1 TYR 48 -5.051 0.863 -4.478 359 HD2 TYR 48 HD2 TYR 48 -6.449 -3.206 -4.311 360 HE1 TYR 48 HE1 TYR 48 -4.925 0.702 -6.943 361 HE2 TYR 48 HE2 TYR 48 -6.304 -3.352 -6.778 362 HH TYR 48 HH TYR 48 -6.265 -1.964 -8.681 363 H LYS 49 H LYS 49 -8.619 -2.227 -3.457 364 HA LYS 49 HA LYS 49 -10.173 -3.792 -2.884 365 HB2 LYS 49 1HB LYS 49 -8.449 -3.980 -0.392 366 HB3 LYS 49 2HB LYS 49 -9.549 -5.227 -0.989 367 HG2 LYS 49 1HG LYS 49 -8.097 -5.105 -3.216 368 HG3 LYS 49 2HG LYS 49 -6.910 -4.286 -2.201 369 HD2 LYS 49 1HD LYS 49 -8.044 -7.067 -1.702 370 HD3 LYS 49 2HD LYS 49 -6.443 -6.712 -2.342 371 HE2 LYS 49 1HE LYS 49 -5.944 -5.443 -0.201 372 HE3 LYS 49 2HE LYS 49 -7.472 -6.056 0.445 373 HZ1 LYS 49 3HZ LYS 49 -5.098 -7.596 -0.398 374 HZ2 LYS 49 1HZ LYS 49 -6.616 -8.321 -0.199 375 HZ3 LYS 49 2HZ LYS 49 -5.857 -7.574 1.122 376 H GLY 50 H GLY 50 -10.652 -0.981 -2.005 377 HA2 GLY 50 1HA GLY 50 -12.299 0.184 -0.885 378 HA3 GLY 50 2HA GLY 50 -13.049 -1.363 -0.495 379 H SER 51 H SER 51 -9.839 -1.373 0.457 380 HA SER 51 HA SER 51 -10.436 -0.640 3.285 381 HB2 SER 51 1HB SER 51 -8.885 -2.373 3.974 382 HB3 SER 51 2HB SER 51 -10.050 -3.102 2.871 383 HG SER 51 HG SER 51 -7.658 -2.012 1.874 384 H HIS 52 H HIS 52 -8.286 -0.323 4.479 385 HA HIS 52 HA HIS 52 -6.585 1.597 2.912 386 HB2 HIS 52 1HB HIS 52 -6.224 2.731 5.112 387 HB3 HIS 52 2HB HIS 52 -7.912 2.745 4.601 388 HD1 HIS 52 HD1 HIS 52 -9.593 1.348 5.937 389 HD2 HIS 52 HD2 HIS 52 -5.691 1.017 7.353 390 HE1 HIS 52 HE1 HIS 52 -9.744 0.195 8.186 391 HE2 HIS 52 HE2 HIS 52 -7.370 -0.009 9.067 392 H GLY 53 H GLY 53 -4.463 1.298 2.880 393 HA2 GLY 53 1HA GLY 53 -3.147 -0.565 4.768 394 HA3 GLY 53 2HA GLY 53 -2.976 -0.814 3.041 395 H TYR 54 H TYR 54 -0.786 -0.427 4.636 396 HA TYR 54 HA TYR 54 0.225 2.239 3.735 397 HB2 TYR 54 1HB TYR 54 0.771 0.855 6.387 398 HB3 TYR 54 2HB TYR 54 1.619 2.287 5.818 399 HD1 TYR 54 HD2 TYR 54 -1.800 0.970 6.663 400 HD2 TYR 54 HD1 TYR 54 0.615 4.501 6.081 401 HE1 TYR 54 HE2 TYR 54 -3.645 2.397 7.504 402 HE2 TYR 54 HE1 TYR 54 -1.244 5.898 6.929 403 HH TYR 54 HH TYR 54 -3.779 4.734 8.640 404 H VAL 55 H VAL 55 2.104 2.227 2.742 405 HA VAL 55 HA VAL 55 3.882 -0.135 2.869 406 HB VAL 55 HB VAL 55 2.910 1.045 0.221 407 HG11 VAL 55 1HG1 VAL 55 4.648 -1.381 0.884 408 HG12 VAL 55 2HG1 VAL 55 5.174 0.095 0.076 409 HG13 VAL 55 3HG1 VAL 55 4.049 -0.991 -0.727 410 HG21 VAL 55 3HG2 VAL 55 2.047 -1.508 1.673 411 HG22 VAL 55 1HG2 VAL 55 1.717 -1.191 -0.031 412 HG23 VAL 55 2HG2 VAL 55 1.021 -0.150 1.199 413 H ALA 56 H ALA 56 6.000 0.279 2.308 414 HA ALA 56 HA ALA 56 6.952 2.904 2.895 415 HB1 ALA 56 3HB ALA 56 8.360 0.489 1.715 416 HB2 ALA 56 1HB ALA 56 8.254 0.895 3.426 417 HB3 ALA 56 2HB ALA 56 9.173 1.932 2.333 418 H LYS 57 H LYS 57 7.238 4.568 1.575 419 HA LYS 57 HA LYS 57 6.563 4.431 -1.246 420 HB2 LYS 57 1HB LYS 57 7.290 6.886 -1.191 421 HB3 LYS 57 2HB LYS 57 5.960 6.457 -0.114 422 HG2 LYS 57 1HG LYS 57 7.362 6.433 1.835 423 HG3 LYS 57 2HG LYS 57 8.853 6.442 0.892 424 HD2 LYS 57 1HD LYS 57 8.602 8.736 0.260 425 HD3 LYS 57 2HD LYS 57 6.903 8.744 0.672 426 HE2 LYS 57 1HE LYS 57 9.100 8.421 2.741 427 HE3 LYS 57 2HE LYS 57 8.337 9.966 2.351 428 HZ1 LYS 57 3HZ LYS 57 6.525 7.764 2.876 429 HZ2 LYS 57 1HZ LYS 57 6.423 9.391 3.336 430 HZ3 LYS 57 2HZ LYS 57 7.408 8.322 4.213 431 H GLU 58 H GLU 58 9.455 4.135 0.617 432 HA GLU 58 HA GLU 58 11.355 5.015 -1.303 433 HB2 GLU 58 1HB GLU 58 11.827 4.667 1.134 434 HB3 GLU 58 2HB GLU 58 11.727 2.927 0.886 435 HG2 GLU 58 1HG GLU 58 13.618 3.053 -0.732 436 HG3 GLU 58 2HG GLU 58 13.701 4.794 -0.499 437 H TYR 59 H TYR 59 9.785 1.928 -0.704 438 HA TYR 59 HA TYR 59 11.351 0.440 -2.639 439 HB2 TYR 59 1HB TYR 59 8.809 -0.081 -1.058 440 HB3 TYR 59 2HB TYR 59 9.344 -1.229 -2.285 441 HD1 TYR 59 HD1 TYR 59 10.595 0.674 0.724 442 HD2 TYR 59 HD2 TYR 59 10.997 -2.901 -1.658 443 HE1 TYR 59 HE1 TYR 59 12.222 -0.243 2.350 444 HE2 TYR 59 HE2 TYR 59 12.624 -3.794 -0.018 445 HH TYR 59 HH TYR 59 13.245 -3.520 2.274 446 H ILE 60 H ILE 60 8.344 2.268 -2.671 447 HA ILE 60 HA ILE 60 7.634 1.369 -5.371 448 HB ILE 60 HB ILE 60 6.371 3.558 -3.650 449 HG12 ILE 60 1HG1 ILE 60 5.502 0.630 -3.945 450 HG13 ILE 60 2HG1 ILE 60 6.363 1.257 -2.546 451 HG21 ILE 60 1HG2 ILE 60 5.801 3.700 -6.068 452 HG22 ILE 60 2HG2 ILE 60 4.402 3.185 -5.145 453 HG23 ILE 60 3HG2 ILE 60 5.328 2.004 -6.060 454 HD11 ILE 60 3HD1 ILE 60 4.514 2.856 -2.123 455 HD12 ILE 60 1HD1 ILE 60 3.971 1.180 -2.068 456 HD13 ILE 60 2HD1 ILE 60 3.627 2.169 -3.483 Start of MODEL 3 1 H1 MET 1 1H MET 1 2.664 14.528 -9.694 2 H2 MET 1 2H MET 1 4.087 14.397 -10.610 3 H3 MET 1 3H MET 1 4.132 14.163 -8.928 4 HA MET 1 HA MET 1 3.105 12.378 -11.029 5 HB2 MET 1 1HB MET 1 4.756 11.980 -8.500 6 HB3 MET 1 2HB MET 1 4.356 10.711 -9.656 7 HG2 MET 1 1HG MET 1 5.554 11.948 -11.442 8 HG3 MET 1 2HG MET 1 5.967 13.218 -10.292 9 HE1 MET 1 3HE MET 1 8.178 13.209 -8.973 10 HE2 MET 1 1HE MET 1 8.654 11.779 -8.048 11 HE3 MET 1 2HE MET 1 7.048 12.464 -7.851 12 H LYS 2 H LYS 2 0.867 12.633 -10.674 13 HA LYS 2 HA LYS 2 -0.416 12.525 -8.150 14 HB2 LYS 2 1HB LYS 2 -1.464 11.788 -10.907 15 HB3 LYS 2 2HB LYS 2 -2.464 12.012 -9.468 16 HG2 LYS 2 1HG LYS 2 -1.745 14.362 -9.290 17 HG3 LYS 2 2HG LYS 2 -0.653 14.151 -10.660 18 HD2 LYS 2 1HD LYS 2 -2.700 15.268 -11.414 19 HD3 LYS 2 2HD LYS 2 -2.610 13.660 -12.132 20 HE2 LYS 2 1HE LYS 2 -4.342 12.818 -10.677 21 HE3 LYS 2 2HE LYS 2 -4.192 14.190 -9.574 22 HZ1 LYS 2 3HZ LYS 2 -6.083 14.562 -10.875 23 HZ2 LYS 2 1HZ LYS 2 -5.288 14.159 -12.318 24 HZ3 LYS 2 2HZ LYS 2 -4.891 15.596 -11.504 25 H THR 3 H THR 3 0.929 10.102 -10.189 26 HA THR 3 HA THR 3 0.085 7.979 -8.295 27 HB THR 3 HB THR 3 -0.418 6.460 -10.131 28 HG1 THR 3 HG1 THR 3 -0.166 7.076 -12.225 29 HG21 THR 3 3HG2 THR 3 -1.808 9.117 -10.650 30 HG22 THR 3 1HG2 THR 3 -2.263 7.989 -9.370 31 HG23 THR 3 2HG2 THR 3 -2.426 7.520 -11.063 32 H GLY 4 H GLY 4 1.394 6.087 -8.396 33 HA2 GLY 4 1HA GLY 4 4.121 6.440 -9.540 34 HA3 GLY 4 2HA GLY 4 3.906 6.088 -7.829 35 H ILE 5 H ILE 5 5.268 4.515 -9.787 36 HA ILE 5 HA ILE 5 3.552 2.103 -10.117 37 HB ILE 5 HB ILE 5 5.576 1.278 -11.461 38 HG12 ILE 5 1HG1 ILE 5 6.464 4.208 -11.282 39 HG13 ILE 5 2HG1 ILE 5 7.226 2.915 -10.371 40 HG21 ILE 5 1HG2 ILE 5 3.575 2.225 -12.564 41 HG22 ILE 5 2HG2 ILE 5 5.030 2.685 -13.440 42 HG23 ILE 5 3HG2 ILE 5 4.233 3.853 -12.388 43 HD11 ILE 5 3HD1 ILE 5 8.499 3.369 -12.410 44 HD12 ILE 5 1HD1 ILE 5 7.069 3.066 -13.394 45 HD13 ILE 5 2HD1 ILE 5 7.799 1.752 -12.474 46 H VAL 6 H VAL 6 3.875 0.295 -9.005 47 HA VAL 6 HA VAL 6 5.582 0.371 -6.659 48 HB VAL 6 HB VAL 6 3.778 -1.883 -7.650 49 HG11 VAL 6 1HG1 VAL 6 4.944 -1.216 -4.912 50 HG12 VAL 6 2HG1 VAL 6 5.408 -2.586 -5.918 51 HG13 VAL 6 3HG1 VAL 6 3.793 -2.516 -5.219 52 HG21 VAL 6 3HG2 VAL 6 2.095 -0.918 -6.097 53 HG22 VAL 6 1HG2 VAL 6 2.490 0.224 -7.370 54 HG23 VAL 6 2HG2 VAL 6 3.169 0.432 -5.756 55 H ASN 7 H ASN 7 7.338 -0.926 -6.282 56 HA ASN 7 HA ASN 7 9.440 -1.542 -7.374 57 HB2 ASN 7 1HB ASN 7 8.648 -3.152 -5.679 58 HB3 ASN 7 2HB ASN 7 7.704 -3.989 -6.909 59 HD21 ASN 7 2HD2 ASN 7 8.816 -5.976 -7.077 60 HD22 ASN 7 1HD2 ASN 7 10.465 -6.110 -7.455 61 H VAL 8 H VAL 8 8.190 -4.406 -8.727 62 HA VAL 8 HA VAL 8 7.928 -3.311 -11.465 63 HB VAL 8 HB VAL 8 9.842 -5.615 -10.834 64 HG11 VAL 8 1HG1 VAL 8 8.837 -5.705 -13.100 65 HG12 VAL 8 2HG1 VAL 8 10.543 -5.289 -13.205 66 HG13 VAL 8 3HG1 VAL 8 9.320 -4.034 -13.391 67 HG21 VAL 8 3HG2 VAL 8 10.432 -2.671 -11.408 68 HG22 VAL 8 1HG2 VAL 8 11.651 -3.945 -11.479 69 HG23 VAL 8 2HG2 VAL 8 10.859 -3.573 -9.954 70 H SER 9 H SER 9 7.956 -6.334 -9.551 71 HA SER 9 HA SER 9 5.260 -6.998 -10.267 72 HB2 SER 9 1HB SER 9 6.243 -7.520 -12.452 73 HB3 SER 9 2HB SER 9 7.471 -8.517 -11.680 74 HG SER 9 HG SER 9 5.784 -9.819 -12.385 75 H SER 10 H SER 10 5.469 -7.076 -7.909 76 HA SER 10 HA SER 10 5.839 -9.804 -6.973 77 HB2 SER 10 1HB SER 10 7.614 -7.587 -5.891 78 HB3 SER 10 2HB SER 10 7.505 -9.222 -5.237 79 HG SER 10 HG SER 10 8.733 -8.270 -7.529 80 H SER 11 H SER 11 5.325 -9.956 -4.610 81 HA SER 11 HA SER 11 2.996 -8.258 -3.999 82 HB2 SER 11 1HB SER 11 2.746 -10.685 -3.751 83 HB3 SER 11 2HB SER 11 4.105 -10.735 -2.632 84 HG SER 11 HG SER 11 2.673 -8.977 -1.549 85 H LEU 12 H LEU 12 3.008 -6.697 -2.522 86 HA LEU 12 HA LEU 12 5.436 -6.265 -0.851 87 HB2 LEU 12 1HB LEU 12 3.351 -4.419 -2.017 88 HB3 LEU 12 2HB LEU 12 4.092 -3.962 -0.491 89 HG LEU 12 HG LEU 12 6.360 -4.171 -1.571 90 HD11 LEU 12 1HD1 LEU 12 6.462 -4.247 -4.061 91 HD12 LEU 12 2HD1 LEU 12 4.722 -4.539 -4.104 92 HD13 LEU 12 3HD1 LEU 12 5.800 -5.730 -3.375 93 HD21 LEU 12 3HD2 LEU 12 4.380 -2.224 -2.801 94 HD22 LEU 12 1HD2 LEU 12 6.138 -2.073 -2.943 95 HD23 LEU 12 2HD2 LEU 12 5.370 -1.984 -1.364 96 H ASN 13 H ASN 13 5.085 -5.368 1.264 97 HA ASN 13 HA ASN 13 3.090 -6.971 2.741 98 HB2 ASN 13 1HB ASN 13 5.465 -5.313 3.659 99 HB3 ASN 13 2HB ASN 13 4.465 -6.311 4.705 100 HD21 ASN 13 2HD2 ASN 13 7.422 -6.559 3.864 101 HD22 ASN 13 1HD2 ASN 13 7.548 -8.152 3.295 102 H VAL 14 H VAL 14 1.193 -6.036 3.218 103 HA VAL 14 HA VAL 14 1.013 -3.085 3.453 104 HB VAL 14 HB VAL 14 -1.287 -5.061 3.223 105 HG11 VAL 14 1HG1 VAL 14 -1.892 -2.841 4.186 106 HG12 VAL 14 2HG1 VAL 14 -2.570 -3.025 2.572 107 HG13 VAL 14 3HG1 VAL 14 -1.132 -2.035 2.813 108 HG21 VAL 14 3HG2 VAL 14 -1.366 -4.367 0.828 109 HG22 VAL 14 1HG2 VAL 14 0.149 -5.179 1.202 110 HG23 VAL 14 2HG2 VAL 14 0.104 -3.424 1.056 111 H ARG 15 H ARG 15 1.391 -2.422 5.478 112 HA ARG 15 HA ARG 15 0.650 -4.009 7.822 113 HB2 ARG 15 1HB ARG 15 2.214 -1.472 7.271 114 HB3 ARG 15 2HB ARG 15 1.610 -1.714 8.906 115 HG2 ARG 15 1HG ARG 15 2.791 -3.852 9.087 116 HG3 ARG 15 2HG ARG 15 3.304 -3.758 7.405 117 HD2 ARG 15 1HD ARG 15 4.100 -1.465 9.205 118 HD3 ARG 15 2HD ARG 15 4.953 -2.987 9.390 119 HE ARG 15 HE ARG 15 4.792 -2.232 6.635 120 HH11 ARG 15 1HH2 ARG 15 6.444 -1.492 9.613 121 HH12 ARG 15 2HH2 ARG 15 7.910 -1.011 8.823 122 HH21 ARG 15 1HH1 ARG 15 6.723 -1.634 5.634 123 HH22 ARG 15 2HH1 ARG 15 8.065 -1.090 6.585 124 H SER 16 H SER 16 -0.177 -2.268 9.657 125 HA SER 16 HA SER 16 -2.930 -1.582 8.786 126 HB2 SER 16 1HB SER 16 -2.856 -2.993 10.733 127 HB3 SER 16 2HB SER 16 -1.631 -1.982 11.494 128 HG SER 16 HG SER 16 -3.181 -0.772 12.209 129 H SER 17 H SER 17 0.055 -0.078 9.796 130 HA SER 17 HA SER 17 -0.657 2.506 8.964 131 HB2 SER 17 1HB SER 17 -2.263 2.660 10.805 132 HB3 SER 17 2HB SER 17 -1.070 2.054 11.939 133 HG SER 17 HG SER 17 -0.873 4.155 12.215 134 H ALA 18 H ALA 18 1.596 0.807 8.882 135 HA ALA 18 HA ALA 18 3.862 1.013 8.838 136 HB1 ALA 18 3HB ALA 18 3.544 3.520 8.650 137 HB2 ALA 18 1HB ALA 18 5.016 3.054 9.498 138 HB3 ALA 18 2HB ALA 18 3.639 3.627 10.405 139 H SER 19 H SER 19 2.699 -0.633 10.636 140 HA SER 19 HA SER 19 4.514 -0.507 13.011 141 HB2 SER 19 1HB SER 19 1.610 -1.364 12.929 142 HB3 SER 19 2HB SER 19 2.673 -1.529 14.327 143 HG SER 19 HG SER 19 2.992 0.789 14.134 144 H THR 20 H THR 20 5.909 -2.135 12.869 145 HA THR 20 HA THR 20 5.611 -4.417 11.189 146 HB THR 20 HB THR 20 7.476 -4.150 13.585 147 HG1 THR 20 HG1 THR 20 8.203 -3.555 10.955 148 HG21 THR 20 3HG2 THR 20 7.382 -6.426 12.576 149 HG22 THR 20 1HG2 THR 20 8.931 -5.650 12.251 150 HG23 THR 20 2HG2 THR 20 7.704 -5.730 10.989 151 H SER 21 H SER 21 4.691 -3.758 14.482 152 HA SER 21 HA SER 21 4.323 -6.468 15.336 153 HB2 SER 21 1HB SER 21 3.043 -3.896 16.322 154 HB3 SER 21 2HB SER 21 2.999 -5.443 17.168 155 HG SER 21 HG SER 21 5.347 -5.352 17.077 156 H SER 22 H SER 22 2.440 -4.301 13.349 157 HA SER 22 HA SER 22 -0.119 -5.569 13.696 158 HB2 SER 22 1HB SER 22 0.056 -3.289 12.787 159 HB3 SER 22 2HB SER 22 0.904 -3.905 11.372 160 HG SER 22 HG SER 22 -0.950 -4.447 10.583 161 H LYS 23 H LYS 23 2.573 -5.993 11.463 162 HA LYS 23 HA LYS 23 3.196 -7.823 10.230 163 HB2 LYS 23 1HB LYS 23 1.684 -9.091 12.098 164 HB3 LYS 23 2HB LYS 23 0.638 -9.394 10.728 165 HG2 LYS 23 1HG LYS 23 2.494 -10.528 9.547 166 HG3 LYS 23 2HG LYS 23 3.596 -10.146 10.856 167 HD2 LYS 23 1HD LYS 23 1.055 -11.733 11.456 168 HD3 LYS 23 2HD LYS 23 2.450 -12.560 10.770 169 HE2 LYS 23 1HE LYS 23 2.523 -10.946 13.348 170 HE3 LYS 23 2HE LYS 23 2.427 -12.700 13.254 171 HZ1 LYS 23 3HZ LYS 23 4.694 -11.028 13.008 172 HZ2 LYS 23 1HZ LYS 23 4.504 -11.950 11.598 173 HZ3 LYS 23 2HZ LYS 23 4.616 -12.722 13.108 174 H VAL 24 H VAL 24 1.844 -9.382 8.453 175 HA VAL 24 HA VAL 24 0.945 -7.425 6.491 176 HB VAL 24 HB VAL 24 1.244 -10.461 6.246 177 HG11 VAL 24 1HG1 VAL 24 1.119 -8.226 4.161 178 HG12 VAL 24 2HG1 VAL 24 -0.107 -9.467 4.451 179 HG13 VAL 24 3HG1 VAL 24 1.463 -9.922 3.803 180 HG21 VAL 24 3HG2 VAL 24 3.471 -9.922 5.241 181 HG22 VAL 24 1HG2 VAL 24 3.387 -9.433 6.931 182 HG23 VAL 24 2HG2 VAL 24 3.236 -8.227 5.657 183 H ILE 25 H ILE 25 -1.105 -6.752 6.781 184 HA ILE 25 HA ILE 25 -3.255 -8.649 7.574 185 HB ILE 25 HB ILE 25 -4.654 -6.623 7.809 186 HG12 ILE 25 1HG1 ILE 25 -2.167 -4.945 7.194 187 HG13 ILE 25 2HG1 ILE 25 -3.384 -5.245 5.967 188 HG21 ILE 25 1HG2 ILE 25 -1.935 -6.393 9.177 189 HG22 ILE 25 2HG2 ILE 25 -3.283 -7.392 9.727 190 HG23 ILE 25 3HG2 ILE 25 -3.425 -5.633 9.739 191 HD11 ILE 25 3HD1 ILE 25 -3.826 -3.891 8.638 192 HD12 ILE 25 1HD1 ILE 25 -5.086 -4.218 7.449 193 HD13 ILE 25 2HD1 ILE 25 -3.775 -3.106 7.060 194 H GLY 26 H GLY 26 -1.943 -7.125 4.796 195 HA2 GLY 26 1HA GLY 26 -4.079 -8.280 3.085 196 HA3 GLY 26 2HA GLY 26 -3.730 -6.557 2.947 197 H SER 27 H SER 27 -3.273 -7.213 0.710 198 HA SER 27 HA SER 27 -0.398 -7.503 0.347 199 HB2 SER 27 1HB SER 27 -1.020 -9.875 0.535 200 HB3 SER 27 2HB SER 27 -2.260 -9.672 -0.697 201 HG SER 27 HG SER 27 0.358 -10.137 -0.994 202 H LEU 28 H LEU 28 0.184 -6.324 -1.347 203 HA LEU 28 HA LEU 28 -1.889 -5.488 -3.323 204 HB2 LEU 28 1HB LEU 28 -0.624 -3.778 -1.743 205 HB3 LEU 28 2HB LEU 28 0.730 -4.019 -2.837 206 HG LEU 28 HG LEU 28 -1.144 -3.509 -4.741 207 HD11 LEU 28 1HD1 LEU 28 -2.270 -2.015 -2.347 208 HD12 LEU 28 2HD1 LEU 28 -3.038 -3.392 -3.112 209 HD13 LEU 28 3HD1 LEU 28 -2.842 -1.891 -4.009 210 HD21 LEU 28 3HD2 LEU 28 0.073 -1.298 -3.041 211 HD22 LEU 28 1HD2 LEU 28 -0.546 -1.103 -4.683 212 HD23 LEU 28 2HD2 LEU 28 0.862 -2.118 -4.382 213 H SER 29 H SER 29 -1.310 -5.329 -5.505 214 HA SER 29 HA SER 29 0.629 -7.373 -6.380 215 HB2 SER 29 1HB SER 29 -1.441 -5.753 -7.904 216 HB3 SER 29 2HB SER 29 -0.453 -7.046 -8.585 217 HG SER 29 HG SER 29 -2.477 -7.824 -7.908 218 H GLY 30 H GLY 30 2.292 -6.936 -7.845 219 HA2 GLY 30 1HA GLY 30 3.602 -4.380 -7.566 220 HA3 GLY 30 2HA GLY 30 4.140 -5.746 -8.529 221 H ASN 31 H ASN 31 4.000 -2.856 -9.184 222 HA ASN 31 HA ASN 31 3.584 -1.538 -10.992 223 HB2 ASN 31 1HB ASN 31 4.293 -3.639 -12.251 224 HB3 ASN 31 2HB ASN 31 2.598 -4.049 -12.429 225 HD21 ASN 31 2HD2 ASN 31 4.862 -1.333 -13.116 226 HD22 ASN 31 1HD2 ASN 31 4.061 -0.843 -14.530 227 H THR 32 H THR 32 1.665 -1.646 -8.992 228 HA THR 32 HA THR 32 -0.957 -1.482 -10.413 229 HB THR 32 HB THR 32 -0.434 -1.633 -7.414 230 HG1 THR 32 HG1 THR 32 -1.017 -3.776 -7.656 231 HG21 THR 32 3HG2 THR 32 -2.612 -0.592 -7.981 232 HG22 THR 32 1HG2 THR 32 -2.860 -2.214 -7.342 233 HG23 THR 32 2HG2 THR 32 -2.978 -1.926 -9.075 234 H LYS 33 H LYS 33 -1.801 0.459 -10.789 235 HA LYS 33 HA LYS 33 -0.460 2.892 -9.958 236 HB2 LYS 33 1HB LYS 33 -3.097 2.444 -11.415 237 HB3 LYS 33 2HB LYS 33 -2.295 4.007 -11.223 238 HG2 LYS 33 1HG LYS 33 -0.311 3.140 -12.442 239 HG3 LYS 33 2HG LYS 33 -1.117 1.583 -12.647 240 HD2 LYS 33 1HD LYS 33 -2.932 2.692 -13.934 241 HD3 LYS 33 2HD LYS 33 -2.127 4.247 -13.729 242 HE2 LYS 33 1HE LYS 33 -0.154 3.390 -14.965 243 HE3 LYS 33 2HE LYS 33 -0.966 1.836 -15.176 244 HZ1 LYS 33 3HZ LYS 33 -2.461 2.706 -16.640 245 HZ2 LYS 33 1HZ LYS 33 -1.116 3.674 -16.998 246 HZ3 LYS 33 2HZ LYS 33 -2.356 4.280 -16.007 247 H VAL 34 H VAL 34 -1.243 4.473 -8.585 248 HA VAL 34 HA VAL 34 -3.729 4.140 -7.108 249 HB VAL 34 HB VAL 34 -2.284 2.572 -5.913 250 HG11 VAL 34 1HG1 VAL 34 -0.354 4.904 -5.560 251 HG12 VAL 34 2HG1 VAL 34 -0.086 3.487 -6.576 252 HG13 VAL 34 3HG1 VAL 34 -0.186 3.310 -4.824 253 HG21 VAL 34 3HG2 VAL 34 -3.866 4.067 -4.599 254 HG22 VAL 34 1HG2 VAL 34 -2.500 5.134 -4.257 255 HG23 VAL 34 2HG2 VAL 34 -2.494 3.475 -3.678 256 H THR 35 H THR 35 -4.354 6.004 -6.038 257 HA THR 35 HA THR 35 -3.024 8.475 -6.901 258 HB THR 35 HB THR 35 -5.025 9.572 -5.971 259 HG1 THR 35 HG1 THR 35 -6.663 8.081 -5.143 260 HG21 THR 35 3HG2 THR 35 -5.160 8.570 -8.249 261 HG22 THR 35 1HG2 THR 35 -6.720 8.523 -7.422 262 HG23 THR 35 2HG2 THR 35 -5.739 7.063 -7.536 263 H ILE 36 H ILE 36 -1.082 8.256 -5.634 264 HA ILE 36 HA ILE 36 -0.862 7.876 -2.897 265 HB ILE 36 HB ILE 36 0.801 9.789 -4.598 266 HG12 ILE 36 1HG1 ILE 36 1.357 6.840 -3.964 267 HG13 ILE 36 2HG1 ILE 36 0.617 7.373 -5.470 268 HG21 ILE 36 1HG2 ILE 36 1.459 10.236 -2.316 269 HG22 ILE 36 2HG2 ILE 36 2.632 9.044 -2.818 270 HG23 ILE 36 3HG2 ILE 36 1.264 8.551 -1.828 271 HD11 ILE 36 3HD1 ILE 36 3.041 7.047 -5.749 272 HD12 ILE 36 1HD1 ILE 36 3.360 8.221 -4.477 273 HD13 ILE 36 2HD1 ILE 36 2.608 8.740 -5.985 274 H VAL 37 H VAL 37 -0.180 9.687 -1.287 275 HA VAL 37 HA VAL 37 -1.826 12.152 -1.563 276 HB VAL 37 HB VAL 37 -1.951 10.307 0.875 277 HG11 VAL 37 1HG1 VAL 37 -3.490 12.839 0.156 278 HG12 VAL 37 2HG1 VAL 37 -2.269 12.705 1.423 279 HG13 VAL 37 3HG1 VAL 37 -3.791 11.838 1.577 280 HG21 VAL 37 3HG2 VAL 37 -3.968 10.760 -1.370 281 HG22 VAL 37 1HG2 VAL 37 -4.336 9.922 0.138 282 HG23 VAL 37 2HG2 VAL 37 -3.157 9.244 -0.976 283 H GLY 38 H GLY 38 -0.428 11.056 1.451 284 HA2 GLY 38 1HA GLY 38 1.680 13.196 1.273 285 HA3 GLY 38 2HA GLY 38 0.786 12.783 2.730 286 H GLU 39 H GLU 39 3.190 12.691 3.357 287 HA GLU 39 HA GLU 39 4.235 9.903 2.937 288 HB2 GLU 39 1HB GLU 39 6.457 10.999 3.640 289 HB3 GLU 39 2HB GLU 39 5.844 11.435 2.048 290 HG2 GLU 39 1HG GLU 39 4.976 13.565 2.883 291 HG3 GLU 39 2HG GLU 39 5.415 13.150 4.530 292 H GLU 40 H GLU 40 3.658 8.702 4.552 293 HA GLU 40 HA GLU 40 3.578 9.717 7.360 294 HB2 GLU 40 1HB GLU 40 1.550 8.549 6.243 295 HB3 GLU 40 2HB GLU 40 2.469 7.062 6.333 296 HG2 GLU 40 1HG GLU 40 1.644 8.799 8.693 297 HG3 GLU 40 2HG GLU 40 0.967 7.226 8.269 298 H GLY 41 H GLY 41 5.711 9.631 7.906 299 HA2 GLY 41 1HA GLY 41 7.876 8.691 8.226 300 HA3 GLY 41 2HA GLY 41 6.905 7.580 9.178 301 H ALA 42 H ALA 42 7.551 8.064 5.695 302 HA ALA 42 HA ALA 42 8.365 6.705 4.056 303 HB1 ALA 42 3HB ALA 42 9.753 4.838 4.505 304 HB2 ALA 42 1HB ALA 42 8.858 4.387 5.961 305 HB3 ALA 42 2HB ALA 42 9.911 5.798 5.979 306 H PHE 43 H PHE 43 5.582 6.804 4.886 307 HA PHE 43 HA PHE 43 4.605 4.494 3.363 308 HB2 PHE 43 1HB PHE 43 3.530 4.909 6.193 309 HB3 PHE 43 2HB PHE 43 3.004 3.694 5.037 310 HD1 PHE 43 HD1 PHE 43 4.622 1.894 4.298 311 HD2 PHE 43 HD2 PHE 43 5.533 4.537 7.541 312 HE1 PHE 43 HE1 PHE 43 6.465 0.407 4.977 313 HE2 PHE 43 HE2 PHE 43 7.379 3.045 8.240 314 HZ PHE 43 HZ PHE 43 7.847 0.975 6.960 315 H TYR 44 H TYR 44 2.337 4.668 2.775 316 HA TYR 44 HA TYR 44 1.050 7.315 3.209 317 HB2 TYR 44 1HB TYR 44 0.661 7.584 0.758 318 HB3 TYR 44 2HB TYR 44 2.365 7.691 1.192 319 HD1 TYR 44 HD1 TYR 44 3.822 5.573 1.021 320 HD2 TYR 44 HD2 TYR 44 -0.036 5.871 -0.863 321 HE1 TYR 44 HE1 TYR 44 4.415 3.712 -0.496 322 HE2 TYR 44 HE2 TYR 44 0.571 4.002 -2.375 323 HH TYR 44 HH TYR 44 2.497 2.872 -3.230 324 H LYS 45 H LYS 45 -1.166 7.366 2.332 325 HA LYS 45 HA LYS 45 -2.552 4.862 3.004 326 HB2 LYS 45 1HB LYS 45 -3.567 7.669 2.375 327 HB3 LYS 45 2HB LYS 45 -4.592 6.314 2.866 328 HG2 LYS 45 1HG LYS 45 -3.315 6.136 5.000 329 HG3 LYS 45 2HG LYS 45 -2.327 7.515 4.514 330 HD2 LYS 45 1HD LYS 45 -4.375 8.939 4.424 331 HD3 LYS 45 2HD LYS 45 -5.345 7.558 4.946 332 HE2 LYS 45 1HE LYS 45 -3.083 8.835 6.536 333 HE3 LYS 45 2HE LYS 45 -4.805 9.009 6.875 334 HZ1 LYS 45 3HZ LYS 45 -4.211 7.300 8.265 335 HZ2 LYS 45 1HZ LYS 45 -3.079 6.649 7.184 336 HZ3 LYS 45 2HZ LYS 45 -4.740 6.433 6.903 337 H ILE 46 H ILE 46 -4.265 4.061 1.654 338 HA ILE 46 HA ILE 46 -4.170 4.738 -1.214 339 HB ILE 46 HB ILE 46 -3.766 2.409 -1.884 340 HG12 ILE 46 1HG1 ILE 46 -3.281 1.808 1.073 341 HG13 ILE 46 2HG1 ILE 46 -4.677 1.255 0.164 342 HG21 ILE 46 1HG2 ILE 46 -1.794 4.041 -1.471 343 HG22 ILE 46 2HG2 ILE 46 -1.372 2.334 -1.469 344 HG23 ILE 46 3HG2 ILE 46 -1.530 3.200 0.054 345 HD11 ILE 46 3HD1 ILE 46 -1.793 0.448 -0.232 346 HD12 ILE 46 1HD1 ILE 46 -3.038 0.101 -1.426 347 HD13 ILE 46 2HD1 ILE 46 -3.149 -0.583 0.192 348 H GLU 47 H GLU 47 -5.944 3.934 -2.390 349 HA GLU 47 HA GLU 47 -8.322 3.187 -0.730 350 HB2 GLU 47 1HB GLU 47 -8.158 4.610 -3.419 351 HB3 GLU 47 2HB GLU 47 -9.645 4.218 -2.547 352 HG2 GLU 47 1HG GLU 47 -8.888 5.630 -0.638 353 HG3 GLU 47 2HG GLU 47 -7.421 6.037 -1.528 354 H TYR 48 H TYR 48 -7.725 0.952 -0.816 355 HA TYR 48 HA TYR 48 -8.253 -0.351 -3.454 356 HB2 TYR 48 1HB TYR 48 -5.869 -0.536 -2.284 357 HB3 TYR 48 2HB TYR 48 -6.657 -1.711 -1.234 358 HD1 TYR 48 HD2 TYR 48 -6.196 -0.821 -4.872 359 HD2 TYR 48 HD1 TYR 48 -6.882 -4.017 -2.056 360 HE1 TYR 48 HE2 TYR 48 -6.028 -2.481 -6.703 361 HE2 TYR 48 HE1 TYR 48 -6.707 -5.658 -3.908 362 HH TYR 48 HH TYR 48 -7.125 -5.086 -6.909 363 H LYS 49 H LYS 49 -9.803 -1.867 -3.546 364 HA LYS 49 HA LYS 49 -11.797 -2.888 -2.951 365 HB2 LYS 49 1HB LYS 49 -9.866 -3.737 -0.766 366 HB3 LYS 49 2HB LYS 49 -11.500 -4.393 -0.829 367 HG2 LYS 49 1HG LYS 49 -11.083 -5.243 -3.119 368 HG3 LYS 49 2HG LYS 49 -9.445 -4.589 -3.070 369 HD2 LYS 49 1HD LYS 49 -8.853 -6.077 -1.204 370 HD3 LYS 49 2HD LYS 49 -10.513 -6.663 -1.094 371 HE2 LYS 49 1HE LYS 49 -10.334 -7.623 -3.367 372 HE3 LYS 49 2HE LYS 49 -8.676 -7.042 -3.489 373 HZ1 LYS 49 3HZ LYS 49 -8.058 -8.411 -1.634 374 HZ2 LYS 49 1HZ LYS 49 -8.820 -9.374 -2.804 375 HZ3 LYS 49 2HZ LYS 49 -9.666 -8.909 -1.408 376 H GLY 50 H GLY 50 -11.410 -0.110 -2.004 377 HA2 GLY 50 1HA GLY 50 -12.651 1.426 -0.795 378 HA3 GLY 50 2HA GLY 50 -13.777 0.127 -0.411 379 H SER 51 H SER 51 -10.407 -0.234 0.360 380 HA SER 51 HA SER 51 -10.889 0.288 3.263 381 HB2 SER 51 1HB SER 51 -9.619 -1.714 3.785 382 HB3 SER 51 2HB SER 51 -10.919 -2.162 2.679 383 HG SER 51 HG SER 51 -8.384 -2.604 2.360 384 H HIS 52 H HIS 52 -8.864 0.488 4.474 385 HA HIS 52 HA HIS 52 -6.963 2.245 3.017 386 HB2 HIS 52 1HB HIS 52 -7.302 1.713 6.001 387 HB3 HIS 52 2HB HIS 52 -6.270 2.947 5.273 388 HD1 HIS 52 HD1 HIS 52 -7.653 4.733 3.687 389 HD2 HIS 52 HD2 HIS 52 -9.872 2.582 6.484 390 HE1 HIS 52 HE1 HIS 52 -9.842 5.975 3.974 391 HE2 HIS 52 HE2 HIS 52 -11.205 4.675 5.678 392 H GLY 53 H GLY 53 -4.723 1.994 3.232 393 HA2 GLY 53 1HA GLY 53 -3.553 -0.430 4.387 394 HA3 GLY 53 2HA GLY 53 -3.539 -0.359 2.623 395 H TYR 54 H TYR 54 -1.198 -0.481 4.023 396 HA TYR 54 HA TYR 54 0.042 2.185 3.498 397 HB2 TYR 54 1HB TYR 54 0.547 0.362 5.876 398 HB3 TYR 54 2HB TYR 54 1.486 1.807 5.499 399 HD1 TYR 54 HD2 TYR 54 -1.962 0.589 6.351 400 HD2 TYR 54 HD1 TYR 54 0.618 4.038 6.075 401 HE1 TYR 54 HE2 TYR 54 -3.689 1.987 7.453 402 HE2 TYR 54 HE1 TYR 54 -1.125 5.419 7.176 403 HH TYR 54 HH TYR 54 -3.889 5.112 7.329 404 H VAL 55 H VAL 55 1.993 2.146 2.508 405 HA VAL 55 HA VAL 55 3.447 -0.401 2.156 406 HB VAL 55 HB VAL 55 3.423 0.643 -0.512 407 HG11 VAL 55 1HG1 VAL 55 2.140 -1.390 -1.085 408 HG12 VAL 55 2HG1 VAL 55 1.729 -1.616 0.617 409 HG13 VAL 55 3HG1 VAL 55 3.400 -1.741 0.094 410 HG21 VAL 55 3HG2 VAL 55 0.535 0.561 0.487 411 HG22 VAL 55 1HG2 VAL 55 1.092 0.980 -1.133 412 HG23 VAL 55 2HG2 VAL 55 1.413 2.055 0.227 413 H ALA 56 H ALA 56 5.581 -0.170 1.614 414 HA ALA 56 HA ALA 56 6.829 2.239 2.506 415 HB1 ALA 56 3HB ALA 56 7.961 -0.204 1.107 416 HB2 ALA 56 1HB ALA 56 7.853 0.036 2.849 417 HB3 ALA 56 2HB ALA 56 8.928 1.051 1.885 418 H LYS 57 H LYS 57 7.878 3.821 1.341 419 HA LYS 57 HA LYS 57 7.078 4.142 -1.483 420 HB2 LYS 57 1HB LYS 57 8.566 6.004 0.397 421 HB3 LYS 57 2HB LYS 57 8.079 6.415 -1.252 422 HG2 LYS 57 1HG LYS 57 5.662 5.885 -0.544 423 HG3 LYS 57 2HG LYS 57 6.257 5.820 1.121 424 HD2 LYS 57 1HD LYS 57 6.388 8.227 -0.750 425 HD3 LYS 57 2HD LYS 57 5.312 8.045 0.635 426 HE2 LYS 57 1HE LYS 57 7.099 9.402 1.460 427 HE3 LYS 57 2HE LYS 57 7.523 7.793 2.033 428 HZ1 LYS 57 3HZ LYS 57 9.039 9.455 0.443 429 HZ2 LYS 57 1HZ LYS 57 8.497 8.229 -0.596 430 HZ3 LYS 57 2HZ LYS 57 9.356 7.828 0.813 431 H GLU 58 H GLU 58 9.971 3.534 0.428 432 HA GLU 58 HA GLU 58 11.955 4.101 -1.439 433 HB2 GLU 58 1HB GLU 58 12.335 3.392 0.931 434 HB3 GLU 58 2HB GLU 58 11.915 1.740 0.486 435 HG2 GLU 58 1HG GLU 58 13.823 1.687 -1.115 436 HG3 GLU 58 2HG GLU 58 14.228 3.346 -0.683 437 H TYR 59 H TYR 59 9.910 1.212 -1.166 438 HA TYR 59 HA TYR 59 11.091 -0.505 -3.001 439 HB2 TYR 59 1HB TYR 59 8.242 -0.000 -2.118 440 HB3 TYR 59 2HB TYR 59 8.468 -1.062 -3.505 441 HD1 TYR 59 HD1 TYR 59 10.083 -0.493 -0.127 442 HD2 TYR 59 HD2 TYR 59 8.583 -3.408 -2.939 443 HE1 TYR 59 HE1 TYR 59 10.669 -2.323 1.434 444 HE2 TYR 59 HE2 TYR 59 9.178 -5.219 -1.360 445 HH TYR 59 HH TYR 59 10.195 -5.732 0.546 446 H ILE 60 H ILE 60 9.476 2.509 -3.625 447 HA ILE 60 HA ILE 60 9.087 2.056 -6.487 448 HB ILE 60 HB ILE 60 8.957 4.650 -4.873 449 HG12 ILE 60 1HG1 ILE 60 6.668 2.796 -5.710 450 HG13 ILE 60 2HG1 ILE 60 7.351 2.816 -4.091 451 HG21 ILE 60 1HG2 ILE 60 7.552 5.437 -6.804 452 HG22 ILE 60 2HG2 ILE 60 7.895 3.926 -7.638 453 HG23 ILE 60 3HG2 ILE 60 9.196 5.061 -7.299 454 HD11 ILE 60 3HD1 ILE 60 6.011 5.166 -5.459 455 HD12 ILE 60 1HD1 ILE 60 6.742 5.200 -3.854 456 HD13 ILE 60 2HD1 ILE 60 5.333 4.186 -4.162 Start of MODEL 4 1 H1 MET 1 1H MET 1 2.682 9.160 -12.826 2 H2 MET 1 2H MET 1 3.936 9.806 -13.772 3 H3 MET 1 3H MET 1 2.496 10.680 -13.558 4 HA MET 1 HA MET 1 4.541 10.071 -11.489 5 HB2 MET 1 1HB MET 1 3.539 12.653 -12.755 6 HB3 MET 1 2HB MET 1 4.705 12.572 -11.436 7 HG2 MET 1 1HG MET 1 6.245 11.259 -12.895 8 HG3 MET 1 2HG MET 1 5.081 11.386 -14.212 9 HE1 MET 1 3HE MET 1 7.853 14.642 -12.547 10 HE2 MET 1 1HE MET 1 8.174 12.907 -12.659 11 HE3 MET 1 2HE MET 1 6.972 13.513 -11.526 12 H LYS 2 H LYS 2 1.252 10.859 -12.262 13 HA LYS 2 HA LYS 2 0.408 12.001 -9.810 14 HB2 LYS 2 1HB LYS 2 -1.141 10.363 -11.842 15 HB3 LYS 2 2HB LYS 2 -1.880 11.322 -10.553 16 HG2 LYS 2 1HG LYS 2 -0.827 13.375 -11.479 17 HG3 LYS 2 2HG LYS 2 -0.109 12.416 -12.779 18 HD2 LYS 2 1HD LYS 2 -2.393 11.761 -13.544 19 HD3 LYS 2 2HD LYS 2 -3.094 12.757 -12.265 20 HE2 LYS 2 1HE LYS 2 -1.323 13.767 -14.527 21 HE3 LYS 2 2HE LYS 2 -3.069 13.996 -14.404 22 HZ1 LYS 2 3HZ LYS 2 -2.434 15.902 -13.414 23 HZ2 LYS 2 1HZ LYS 2 -0.918 15.299 -12.947 24 HZ3 LYS 2 2HZ LYS 2 -2.302 14.911 -12.040 25 H THR 3 H THR 3 0.593 8.677 -10.927 26 HA THR 3 HA THR 3 -0.026 7.690 -8.167 27 HB THR 3 HB THR 3 -0.846 5.654 -9.209 28 HG1 THR 3 HG1 THR 3 0.220 6.857 -11.510 29 HG21 THR 3 3HG2 THR 3 -1.980 8.061 -10.681 30 HG22 THR 3 1HG2 THR 3 -2.423 7.595 -9.038 31 HG23 THR 3 2HG2 THR 3 -2.809 6.534 -10.393 32 H GLY 4 H GLY 4 1.122 5.864 -7.457 33 HA2 GLY 4 1HA GLY 4 3.947 5.856 -8.295 34 HA3 GLY 4 2HA GLY 4 3.262 5.130 -6.846 35 H ILE 5 H ILE 5 5.032 3.993 -8.931 36 HA ILE 5 HA ILE 5 3.319 1.800 -10.024 37 HB ILE 5 HB ILE 5 6.203 2.501 -10.733 38 HG12 ILE 5 1HG1 ILE 5 3.642 3.097 -12.307 39 HG13 ILE 5 2HG1 ILE 5 4.504 4.303 -11.362 40 HG21 ILE 5 1HG2 ILE 5 4.160 0.644 -12.053 41 HG22 ILE 5 2HG2 ILE 5 5.587 0.119 -11.164 42 HG23 ILE 5 3HG2 ILE 5 5.771 0.982 -12.677 43 HD11 ILE 5 3HD1 ILE 5 6.531 3.938 -12.741 44 HD12 ILE 5 1HD1 ILE 5 5.157 4.476 -13.705 45 HD13 ILE 5 2HD1 ILE 5 5.636 2.782 -13.727 46 H VAL 6 H VAL 6 3.371 -0.103 -9.074 47 HA VAL 6 HA VAL 6 5.320 -0.655 -6.929 48 HB VAL 6 HB VAL 6 2.923 -2.306 -7.835 49 HG11 VAL 6 1HG1 VAL 6 3.134 -3.301 -5.554 50 HG12 VAL 6 2HG1 VAL 6 4.572 -2.327 -5.273 51 HG13 VAL 6 3HG1 VAL 6 4.589 -3.586 -6.503 52 HG21 VAL 6 3HG2 VAL 6 1.759 -1.263 -5.906 53 HG22 VAL 6 1HG2 VAL 6 2.201 -0.070 -7.127 54 HG23 VAL 6 2HG2 VAL 6 3.155 -0.209 -5.650 55 H ASN 7 H ASN 7 7.015 -1.960 -7.198 56 HA ASN 7 HA ASN 7 7.973 -2.881 -9.623 57 HB2 ASN 7 1HB ASN 7 8.419 -4.174 -6.904 58 HB3 ASN 7 2HB ASN 7 9.452 -4.374 -8.321 59 HD21 ASN 7 2HD2 ASN 7 8.890 -2.424 -5.558 60 HD22 ASN 7 1HD2 ASN 7 9.937 -1.151 -5.963 61 H VAL 8 H VAL 8 7.366 -4.451 -10.991 62 HA VAL 8 HA VAL 8 5.087 -6.013 -10.757 63 HB VAL 8 HB VAL 8 7.569 -6.754 -12.370 64 HG11 VAL 8 1HG1 VAL 8 5.912 -7.816 -13.906 65 HG12 VAL 8 2HG1 VAL 8 4.617 -7.409 -12.782 66 HG13 VAL 8 3HG1 VAL 8 5.867 -8.555 -12.309 67 HG21 VAL 8 3HG2 VAL 8 6.929 -4.413 -12.819 68 HG22 VAL 8 1HG2 VAL 8 5.262 -4.902 -13.084 69 HG23 VAL 8 2HG2 VAL 8 6.516 -5.421 -14.197 70 H SER 9 H SER 9 8.428 -7.269 -10.510 71 HA SER 9 HA SER 9 7.716 -9.794 -9.454 72 HB2 SER 9 1HB SER 9 10.323 -8.255 -9.216 73 HB3 SER 9 2HB SER 9 10.120 -9.972 -8.859 74 HG SER 9 HG SER 9 10.007 -8.606 -11.310 75 H SER 10 H SER 10 7.981 -10.596 -7.316 76 HA SER 10 HA SER 10 7.790 -10.572 -5.037 77 HB2 SER 10 1HB SER 10 8.557 -7.632 -4.868 78 HB3 SER 10 2HB SER 10 8.992 -8.951 -3.787 79 HG SER 10 HG SER 10 9.912 -9.568 -6.176 80 H SER 11 H SER 11 6.784 -8.851 -3.240 81 HA SER 11 HA SER 11 4.354 -7.562 -4.300 82 HB2 SER 11 1HB SER 11 3.675 -9.919 -3.996 83 HB3 SER 11 2HB SER 11 4.227 -9.869 -2.323 84 HG SER 11 HG SER 11 2.433 -8.906 -1.831 85 H LEU 12 H LEU 12 3.308 -6.245 -2.784 86 HA LEU 12 HA LEU 12 5.089 -5.300 -0.600 87 HB2 LEU 12 1HB LEU 12 2.978 -4.009 -2.340 88 HB3 LEU 12 2HB LEU 12 3.310 -3.293 -0.768 89 HG LEU 12 HG LEU 12 4.657 -2.240 -2.584 90 HD11 LEU 12 1HD1 LEU 12 5.593 -2.877 -0.049 91 HD12 LEU 12 2HD1 LEU 12 6.427 -1.860 -1.198 92 HD13 LEU 12 3HD1 LEU 12 6.852 -3.556 -1.053 93 HD21 LEU 12 3HD2 LEU 12 6.200 -4.853 -2.870 94 HD22 LEU 12 1HD2 LEU 12 6.258 -3.433 -3.903 95 HD23 LEU 12 2HD2 LEU 12 4.840 -4.472 -3.926 96 H ASN 13 H ASN 13 4.544 -5.362 1.447 97 HA ASN 13 HA ASN 13 2.137 -6.844 2.245 98 HB2 ASN 13 1HB ASN 13 3.260 -6.893 4.449 99 HB3 ASN 13 2HB ASN 13 4.321 -7.486 3.176 100 HD21 ASN 13 2HD2 ASN 13 4.758 -5.967 5.889 101 HD22 ASN 13 1HD2 ASN 13 5.863 -4.752 5.464 102 H VAL 14 H VAL 14 0.399 -5.888 3.060 103 HA VAL 14 HA VAL 14 0.409 -2.958 3.469 104 HB VAL 14 HB VAL 14 -1.923 -4.913 3.534 105 HG11 VAL 14 1HG1 VAL 14 -2.352 -2.752 4.702 106 HG12 VAL 14 2HG1 VAL 14 -3.283 -2.854 3.214 107 HG13 VAL 14 3HG1 VAL 14 -1.814 -1.882 3.275 108 HG21 VAL 14 3HG2 VAL 14 -2.366 -4.118 1.225 109 HG22 VAL 14 1HG2 VAL 14 -0.786 -4.887 1.317 110 HG23 VAL 14 2HG2 VAL 14 -0.904 -3.131 1.273 111 H ARG 15 H ARG 15 1.256 -2.478 5.427 112 HA ARG 15 HA ARG 15 0.702 -4.061 7.812 113 HB2 ARG 15 1HB ARG 15 2.149 -1.418 7.387 114 HB3 ARG 15 2HB ARG 15 2.080 -2.291 8.919 115 HG2 ARG 15 1HG ARG 15 3.189 -4.246 7.864 116 HG3 ARG 15 2HG ARG 15 3.254 -3.382 6.328 117 HD2 ARG 15 1HD ARG 15 4.684 -1.649 7.345 118 HD3 ARG 15 2HD ARG 15 4.599 -2.472 8.900 119 HE ARG 15 HE ARG 15 6.263 -3.191 6.659 120 HH11 ARG 15 1HH2 ARG 15 4.515 -4.451 9.392 121 HH12 ARG 15 2HH2 ARG 15 5.522 -5.851 9.558 122 HH21 ARG 15 1HH1 ARG 15 7.571 -5.025 6.883 123 HH22 ARG 15 2HH1 ARG 15 7.250 -6.173 8.140 124 H SER 16 H SER 16 -0.423 -3.309 9.618 125 HA SER 16 HA SER 16 -2.816 -1.806 9.063 126 HB2 SER 16 1HB SER 16 -2.768 -3.667 10.682 127 HB3 SER 16 2HB SER 16 -1.663 -2.758 11.705 128 HG SER 16 HG SER 16 -3.261 -1.201 11.972 129 H SER 17 H SER 17 0.352 -1.014 10.187 130 HA SER 17 HA SER 17 -0.222 1.825 10.212 131 HB2 SER 17 1HB SER 17 0.479 0.462 12.835 132 HB3 SER 17 2HB SER 17 0.392 2.204 12.581 133 HG SER 17 HG SER 17 -1.560 1.499 13.405 134 H ALA 18 H ALA 18 1.793 3.030 11.060 135 HA ALA 18 HA ALA 18 4.069 2.138 9.540 136 HB1 ALA 18 3HB ALA 18 5.144 4.189 10.407 137 HB2 ALA 18 1HB ALA 18 3.819 4.402 11.558 138 HB3 ALA 18 2HB ALA 18 3.512 4.534 9.825 139 H SER 19 H SER 19 3.733 0.030 11.054 140 HA SER 19 HA SER 19 6.016 0.061 12.959 141 HB2 SER 19 1HB SER 19 3.290 -1.141 13.558 142 HB3 SER 19 2HB SER 19 4.724 -1.291 14.571 143 HG SER 19 HG SER 19 4.257 0.593 15.342 144 H THR 20 H THR 20 7.353 -1.558 12.620 145 HA THR 20 HA THR 20 6.989 -3.445 10.512 146 HB THR 20 HB THR 20 9.226 -2.713 11.102 147 HG1 THR 20 HG1 THR 20 9.160 -5.335 12.078 148 HG21 THR 20 3HG2 THR 20 8.825 -2.270 13.527 149 HG22 THR 20 1HG2 THR 20 10.253 -3.263 13.270 150 HG23 THR 20 2HG2 THR 20 8.759 -4.003 13.819 151 H SER 21 H SER 21 6.452 -3.542 13.974 152 HA SER 21 HA SER 21 6.148 -6.405 14.181 153 HB2 SER 21 1HB SER 21 5.332 -5.923 16.434 154 HB3 SER 21 2HB SER 21 6.755 -4.938 16.102 155 HG SER 21 HG SER 21 4.677 -3.578 15.248 156 H SER 22 H SER 22 4.298 -4.064 12.704 157 HA SER 22 HA SER 22 1.648 -4.687 13.422 158 HB2 SER 22 1HB SER 22 2.237 -2.748 12.011 159 HB3 SER 22 2HB SER 22 2.717 -3.835 10.714 160 HG SER 22 HG SER 22 0.138 -3.638 11.896 161 H LYS 23 H LYS 23 0.227 -5.555 11.354 162 HA LYS 23 HA LYS 23 1.271 -8.270 10.628 163 HB2 LYS 23 1HB LYS 23 -1.518 -7.527 11.587 164 HB3 LYS 23 2HB LYS 23 -1.028 -9.124 11.002 165 HG2 LYS 23 1HG LYS 23 0.656 -9.277 12.826 166 HG3 LYS 23 2HG LYS 23 0.153 -7.688 13.418 167 HD2 LYS 23 1HD LYS 23 -2.153 -8.571 13.796 168 HD3 LYS 23 2HD LYS 23 -1.618 -10.162 13.244 169 HE2 LYS 23 1HE LYS 23 -0.515 -8.660 15.653 170 HE3 LYS 23 2HE LYS 23 -1.595 -10.054 15.713 171 HZ1 LYS 23 3HZ LYS 23 0.120 -11.301 14.461 172 HZ2 LYS 23 1HZ LYS 23 0.626 -10.815 16.005 173 HZ3 LYS 23 2HZ LYS 23 1.166 -9.973 14.631 174 H VAL 24 H VAL 24 0.213 -9.219 8.811 175 HA VAL 24 HA VAL 24 -0.251 -7.238 6.688 176 HB VAL 24 HB VAL 24 -0.076 -10.278 6.459 177 HG11 VAL 24 1HG1 VAL 24 -1.095 -9.125 4.507 178 HG12 VAL 24 2HG1 VAL 24 0.494 -9.752 4.094 179 HG13 VAL 24 3HG1 VAL 24 0.286 -8.031 4.418 180 HG21 VAL 24 3HG2 VAL 24 1.996 -9.392 7.487 181 HG22 VAL 24 1HG2 VAL 24 2.122 -8.172 6.222 182 HG23 VAL 24 2HG2 VAL 24 2.306 -9.881 5.827 183 H ILE 25 H ILE 25 -2.269 -6.508 6.567 184 HA ILE 25 HA ILE 25 -4.588 -8.183 7.249 185 HB ILE 25 HB ILE 25 -5.880 -6.108 6.823 186 HG12 ILE 25 1HG1 ILE 25 -3.180 -4.803 6.200 187 HG13 ILE 25 2HG1 ILE 25 -4.355 -5.207 4.966 188 HG21 ILE 25 1HG2 ILE 25 -3.398 -5.652 8.540 189 HG22 ILE 25 2HG2 ILE 25 -4.847 -6.515 9.058 190 HG23 ILE 25 3HG2 ILE 25 -4.931 -4.795 8.702 191 HD11 ILE 25 3HD1 ILE 25 -6.020 -3.732 6.148 192 HD12 ILE 25 1HD1 ILE 25 -4.626 -2.875 5.504 193 HD13 ILE 25 2HD1 ILE 25 -4.717 -3.230 7.225 194 H GLY 26 H GLY 26 -2.741 -7.393 4.486 195 HA2 GLY 26 1HA GLY 26 -4.076 -9.116 2.746 196 HA3 GLY 26 2HA GLY 26 -4.720 -7.501 2.456 197 H SER 27 H SER 27 -3.539 -8.561 0.373 198 HA SER 27 HA SER 27 -1.051 -6.987 0.077 199 HB2 SER 27 1HB SER 27 -0.312 -9.281 0.579 200 HB3 SER 27 2HB SER 27 -1.301 -9.898 -0.739 201 HG SER 27 HG SER 27 0.150 -7.873 -1.662 202 H LEU 28 H LEU 28 -0.869 -6.005 -1.821 203 HA LEU 28 HA LEU 28 -3.075 -6.310 -3.805 204 HB2 LEU 28 1HB LEU 28 -2.198 -4.109 -4.670 205 HB3 LEU 28 2HB LEU 28 -2.797 -4.028 -3.021 206 HG LEU 28 HG LEU 28 0.148 -4.662 -3.195 207 HD11 LEU 28 1HD1 LEU 28 -0.830 -1.928 -4.069 208 HD12 LEU 28 2HD1 LEU 28 0.046 -3.094 -5.060 209 HD13 LEU 28 3HD1 LEU 28 0.844 -2.341 -3.682 210 HD21 LEU 28 3HD2 LEU 28 -1.354 -2.529 -1.626 211 HD22 LEU 28 1HD2 LEU 28 0.286 -3.110 -1.326 212 HD23 LEU 28 2HD2 LEU 28 -1.089 -4.180 -1.070 213 H SER 29 H SER 29 -2.337 -5.848 -6.078 214 HA SER 29 HA SER 29 -0.227 -7.789 -6.768 215 HB2 SER 29 1HB SER 29 -2.229 -6.301 -8.493 216 HB3 SER 29 2HB SER 29 -1.124 -7.557 -9.056 217 HG SER 29 HG SER 29 -2.701 -8.112 -6.826 218 H GLY 30 H GLY 30 1.440 -7.293 -8.250 219 HA2 GLY 30 1HA GLY 30 2.698 -4.742 -7.828 220 HA3 GLY 30 2HA GLY 30 3.284 -6.059 -8.835 221 H ASN 31 H ASN 31 3.162 -3.180 -9.405 222 HA ASN 31 HA ASN 31 2.900 -1.896 -11.287 223 HB2 ASN 31 1HB ASN 31 3.022 -4.237 -12.489 224 HB3 ASN 31 2HB ASN 31 1.290 -4.092 -12.675 225 HD21 ASN 31 2HD2 ASN 31 0.743 -3.267 -14.663 226 HD22 ASN 31 1HD2 ASN 31 1.644 -2.125 -15.538 227 H THR 32 H THR 32 0.831 -2.418 -9.086 228 HA THR 32 HA THR 32 -1.690 -1.622 -10.383 229 HB THR 32 HB THR 32 -1.062 -2.006 -7.427 230 HG1 THR 32 HG1 THR 32 -1.308 -3.726 -9.431 231 HG21 THR 32 3HG2 THR 32 -3.531 -2.232 -7.238 232 HG22 THR 32 1HG2 THR 32 -3.705 -1.824 -8.942 233 HG23 THR 32 2HG2 THR 32 -3.094 -0.626 -7.801 234 H LYS 33 H LYS 33 -2.433 0.393 -10.499 235 HA LYS 33 HA LYS 33 -0.751 2.622 -9.647 236 HB2 LYS 33 1HB LYS 33 -3.456 2.551 -11.040 237 HB3 LYS 33 2HB LYS 33 -2.456 3.983 -10.809 238 HG2 LYS 33 1HG LYS 33 -0.616 2.872 -12.117 239 HG3 LYS 33 2HG LYS 33 -1.677 1.489 -12.374 240 HD2 LYS 33 1HD LYS 33 -1.997 2.729 -14.381 241 HD3 LYS 33 2HD LYS 33 -3.369 3.255 -13.414 242 HE2 LYS 33 1HE LYS 33 -2.281 5.193 -14.471 243 HE3 LYS 33 2HE LYS 33 -2.040 5.289 -12.735 244 HZ1 LYS 33 3HZ LYS 33 -0.054 5.534 -14.408 245 HZ2 LYS 33 1HZ LYS 33 -0.057 3.842 -14.311 246 HZ3 LYS 33 2HZ LYS 33 0.147 4.770 -12.902 247 H VAL 34 H VAL 34 -1.271 4.134 -8.142 248 HA VAL 34 HA VAL 34 -3.767 3.927 -6.592 249 HB VAL 34 HB VAL 34 -2.436 3.881 -4.431 250 HG11 VAL 34 1HG1 VAL 34 -2.111 1.460 -4.402 251 HG12 VAL 34 2HG1 VAL 34 -1.997 1.391 -6.152 252 HG13 VAL 34 3HG1 VAL 34 -3.530 1.806 -5.387 253 HG21 VAL 34 3HG2 VAL 34 -0.232 4.586 -5.301 254 HG22 VAL 34 1HG2 VAL 34 -0.134 3.144 -6.305 255 HG23 VAL 34 2HG2 VAL 34 -0.086 3.011 -4.551 256 H THR 35 H THR 35 -4.495 5.876 -6.093 257 HA THR 35 HA THR 35 -2.870 8.242 -6.698 258 HB THR 35 HB THR 35 -5.748 8.090 -5.688 259 HG1 THR 35 HG1 THR 35 -5.804 7.085 -7.581 260 HG21 THR 35 3HG2 THR 35 -4.187 10.290 -7.117 261 HG22 THR 35 1HG2 THR 35 -4.699 10.324 -5.429 262 HG23 THR 35 2HG2 THR 35 -5.901 10.355 -6.713 263 H ILE 36 H ILE 36 -1.321 8.145 -5.039 264 HA ILE 36 HA ILE 36 -1.456 7.738 -2.361 265 HB ILE 36 HB ILE 36 -0.201 10.291 -3.457 266 HG12 ILE 36 1HG1 ILE 36 1.860 8.372 -3.421 267 HG13 ILE 36 2HG1 ILE 36 0.505 7.391 -3.951 268 HG21 ILE 36 1HG2 ILE 36 0.489 8.570 -1.042 269 HG22 ILE 36 2HG2 ILE 36 -0.178 10.195 -1.002 270 HG23 ILE 36 3HG2 ILE 36 1.449 9.926 -1.612 271 HD11 ILE 36 3HD1 ILE 36 1.548 9.931 -5.246 272 HD12 ILE 36 1HD1 ILE 36 0.058 9.132 -5.746 273 HD13 ILE 36 2HD1 ILE 36 1.601 8.299 -5.909 274 H VAL 37 H VAL 37 -2.113 8.826 -0.448 275 HA VAL 37 HA VAL 37 -3.747 11.284 -0.702 276 HB VAL 37 HB VAL 37 -4.863 8.849 0.786 277 HG11 VAL 37 1HG1 VAL 37 -5.742 11.104 1.382 278 HG12 VAL 37 2HG1 VAL 37 -6.980 10.102 0.631 279 HG13 VAL 37 3HG1 VAL 37 -6.189 11.372 -0.302 280 HG21 VAL 37 3HG2 VAL 37 -5.373 9.650 -2.115 281 HG22 VAL 37 1HG2 VAL 37 -6.396 8.533 -1.208 282 HG23 VAL 37 2HG2 VAL 37 -4.720 8.117 -1.516 283 H GLY 38 H GLY 38 -1.481 11.677 0.307 284 HA2 GLY 38 1HA GLY 38 -0.934 12.906 2.286 285 HA3 GLY 38 2HA GLY 38 -1.793 11.731 3.272 286 H GLU 39 H GLU 39 0.685 12.403 3.956 287 HA GLU 39 HA GLU 39 2.223 9.902 3.479 288 HB2 GLU 39 1HB GLU 39 4.314 11.261 3.215 289 HB3 GLU 39 2HB GLU 39 3.177 11.480 1.881 290 HG2 GLU 39 1HG GLU 39 2.361 13.584 2.897 291 HG3 GLU 39 2HG GLU 39 3.469 13.378 4.251 292 H GLU 40 H GLU 40 3.504 9.285 5.168 293 HA GLU 40 HA GLU 40 3.825 10.994 7.515 294 HB2 GLU 40 1HB GLU 40 1.539 10.007 7.780 295 HB3 GLU 40 2HB GLU 40 2.243 8.392 7.729 296 HG2 GLU 40 1HG GLU 40 3.589 8.897 9.751 297 HG3 GLU 40 2HG GLU 40 2.945 10.538 9.784 298 H GLY 41 H GLY 41 5.792 10.625 8.306 299 HA2 GLY 41 1HA GLY 41 7.854 9.658 8.644 300 HA3 GLY 41 2HA GLY 41 6.928 8.207 9.005 301 H ALA 42 H ALA 42 7.291 6.492 7.744 302 HA ALA 42 HA ALA 42 8.502 6.838 5.021 303 HB1 ALA 42 3HB ALA 42 9.555 4.642 5.358 304 HB2 ALA 42 1HB ALA 42 8.805 4.508 6.959 305 HB3 ALA 42 2HB ALA 42 10.020 5.746 6.660 306 H PHE 43 H PHE 43 5.589 6.681 5.986 307 HA PHE 43 HA PHE 43 4.749 4.653 3.995 308 HB2 PHE 43 1HB PHE 43 3.518 4.826 6.786 309 HB3 PHE 43 2HB PHE 43 3.070 3.714 5.494 310 HD1 PHE 43 HD2 PHE 43 5.729 4.612 7.936 311 HD2 PHE 43 HD1 PHE 43 4.478 1.734 4.978 312 HE1 PHE 43 HE2 PHE 43 7.494 3.053 8.695 313 HE2 PHE 43 HE1 PHE 43 6.256 0.185 5.747 314 HZ PHE 43 HZ PHE 43 7.763 0.842 7.605 315 H TYR 44 H TYR 44 2.683 4.991 3.167 316 HA TYR 44 HA TYR 44 1.356 7.597 3.726 317 HB2 TYR 44 1HB TYR 44 1.094 7.885 1.250 318 HB3 TYR 44 2HB TYR 44 2.758 8.005 1.783 319 HD1 TYR 44 HD1 TYR 44 4.244 5.896 1.662 320 HD2 TYR 44 HD2 TYR 44 0.496 6.201 -0.426 321 HE1 TYR 44 HE1 TYR 44 4.916 4.040 0.167 322 HE2 TYR 44 HE2 TYR 44 1.197 4.352 -1.915 323 HH TYR 44 HH TYR 44 3.181 3.260 -2.681 324 H LYS 45 H LYS 45 -0.743 7.711 2.618 325 HA LYS 45 HA LYS 45 -2.203 5.189 3.136 326 HB2 LYS 45 1HB LYS 45 -2.903 7.323 4.257 327 HB3 LYS 45 2HB LYS 45 -3.306 7.985 2.678 328 HG2 LYS 45 1HG LYS 45 -4.964 6.187 2.312 329 HG3 LYS 45 2HG LYS 45 -4.517 5.436 3.843 330 HD2 LYS 45 1HD LYS 45 -5.292 7.471 5.046 331 HD3 LYS 45 2HD LYS 45 -5.764 8.192 3.505 332 HE2 LYS 45 1HE LYS 45 -6.882 5.600 4.659 333 HE3 LYS 45 2HE LYS 45 -7.723 7.152 4.615 334 HZ1 LYS 45 3HZ LYS 45 -8.503 6.202 2.709 335 HZ2 LYS 45 1HZ LYS 45 -7.084 5.316 2.423 336 HZ3 LYS 45 2HZ LYS 45 -7.126 6.981 2.086 337 H ILE 46 H ILE 46 -3.705 4.375 1.680 338 HA ILE 46 HA ILE 46 -3.749 5.393 -1.091 339 HB ILE 46 HB ILE 46 -3.334 3.009 -1.923 340 HG12 ILE 46 1HG1 ILE 46 -2.153 2.593 0.861 341 HG13 ILE 46 2HG1 ILE 46 -3.731 1.965 0.413 342 HG21 ILE 46 1HG2 ILE 46 -0.898 3.177 -1.818 343 HG22 ILE 46 2HG2 ILE 46 -0.984 4.265 -0.439 344 HG23 ILE 46 3HG2 ILE 46 -1.563 4.796 -2.018 345 HD11 ILE 46 3HD1 ILE 46 -2.009 0.242 0.182 346 HD12 ILE 46 1HD1 ILE 46 -1.099 1.272 -0.920 347 HD13 ILE 46 2HD1 ILE 46 -2.677 0.653 -1.396 348 H GLU 47 H GLU 47 -5.369 4.375 -2.376 349 HA GLU 47 HA GLU 47 -7.649 3.247 -0.792 350 HB2 GLU 47 1HB GLU 47 -7.978 5.660 -1.446 351 HB3 GLU 47 2HB GLU 47 -7.888 5.177 -3.139 352 HG2 GLU 47 1HG GLU 47 -9.839 3.652 -2.803 353 HG3 GLU 47 2HG GLU 47 -9.917 4.128 -1.108 354 H TYR 48 H TYR 48 -7.326 1.154 -1.355 355 HA TYR 48 HA TYR 48 -7.868 0.475 -4.200 356 HB2 TYR 48 1HB TYR 48 -5.379 0.269 -3.562 357 HB3 TYR 48 2HB TYR 48 -5.840 -1.033 -2.481 358 HD1 TYR 48 HD1 TYR 48 -6.137 0.107 -6.058 359 HD2 TYR 48 HD2 TYR 48 -6.188 -3.292 -3.396 360 HE1 TYR 48 HE1 TYR 48 -6.249 -1.429 -7.999 361 HE2 TYR 48 HE2 TYR 48 -6.289 -4.809 -5.359 362 HH TYR 48 HH TYR 48 -7.233 -4.073 -8.211 363 H LYS 49 H LYS 49 -8.929 -1.491 -4.512 364 HA LYS 49 HA LYS 49 -10.556 -3.043 -4.056 365 HB2 LYS 49 1HB LYS 49 -8.493 -3.387 -1.890 366 HB3 LYS 49 2HB LYS 49 -10.043 -4.123 -1.527 367 HG2 LYS 49 1HG LYS 49 -9.956 -5.419 -3.611 368 HG3 LYS 49 2HG LYS 49 -8.454 -4.617 -4.074 369 HD2 LYS 49 1HD LYS 49 -7.313 -5.570 -2.094 370 HD3 LYS 49 2HD LYS 49 -8.812 -6.356 -1.596 371 HE2 LYS 49 1HE LYS 49 -8.816 -7.681 -3.686 372 HE3 LYS 49 2HE LYS 49 -7.322 -6.887 -4.197 373 HZ1 LYS 49 3HZ LYS 49 -7.433 -8.178 -1.569 374 HZ2 LYS 49 1HZ LYS 49 -6.106 -7.936 -2.597 375 HZ3 LYS 49 2HZ LYS 49 -7.247 -9.145 -2.954 376 H GLY 50 H GLY 50 -10.630 -0.148 -2.829 377 HA2 GLY 50 1HA GLY 50 -12.417 1.081 -1.988 378 HA3 GLY 50 2HA GLY 50 -13.299 -0.411 -1.675 379 H SER 51 H SER 51 -10.273 -0.855 -0.439 380 HA SER 51 HA SER 51 -11.019 -0.018 2.321 381 HB2 SER 51 1HB SER 51 -9.186 -2.272 1.419 382 HB3 SER 51 2HB SER 51 -9.561 -1.847 3.090 383 HG SER 51 HG SER 51 -11.731 -2.216 1.419 384 H HIS 52 H HIS 52 -9.012 0.219 3.706 385 HA HIS 52 HA HIS 52 -7.092 2.056 2.326 386 HB2 HIS 52 1HB HIS 52 -7.861 1.893 5.269 387 HB3 HIS 52 2HB HIS 52 -6.787 3.087 4.530 388 HD1 HIS 52 HD1 HIS 52 -9.920 3.169 5.823 389 HD2 HIS 52 HD2 HIS 52 -8.585 4.013 1.967 390 HE1 HIS 52 HE1 HIS 52 -11.681 4.646 4.765 391 HE2 HIS 52 HE2 HIS 52 -10.883 5.171 2.412 392 H GLY 53 H GLY 53 -4.938 1.847 2.638 393 HA2 GLY 53 1HA GLY 53 -3.829 -0.284 4.340 394 HA3 GLY 53 2HA GLY 53 -3.624 -0.442 2.593 395 H TYR 54 H TYR 54 -1.408 -0.304 4.120 396 HA TYR 54 HA TYR 54 -0.267 2.371 3.443 397 HB2 TYR 54 1HB TYR 54 0.296 0.754 5.960 398 HB3 TYR 54 2HB TYR 54 1.082 2.265 5.507 399 HD1 TYR 54 HD1 TYR 54 -2.154 0.720 6.516 400 HD2 TYR 54 HD2 TYR 54 -0.091 4.433 5.751 401 HE1 TYR 54 HE1 TYR 54 -4.026 1.983 7.528 402 HE2 TYR 54 HE2 TYR 54 -1.976 5.676 6.774 403 HH TYR 54 HH TYR 54 -4.039 5.532 7.576 404 H VAL 55 H VAL 55 1.795 2.375 2.704 405 HA VAL 55 HA VAL 55 3.274 -0.180 2.468 406 HB VAL 55 HB VAL 55 2.660 1.582 0.053 407 HG11 VAL 55 1HG1 VAL 55 4.833 0.431 -0.122 408 HG12 VAL 55 2HG1 VAL 55 3.682 -0.332 -1.209 409 HG13 VAL 55 3HG1 VAL 55 4.073 -1.092 0.324 410 HG21 VAL 55 3HG2 VAL 55 1.286 -0.412 -0.726 411 HG22 VAL 55 1HG2 VAL 55 0.596 0.431 0.655 412 HG23 VAL 55 2HG2 VAL 55 1.449 -1.092 0.893 413 H ALA 56 H ALA 56 5.461 0.049 2.220 414 HA ALA 56 HA ALA 56 6.631 2.408 3.303 415 HB1 ALA 56 3HB ALA 56 8.781 1.246 2.884 416 HB2 ALA 56 1HB ALA 56 7.915 0.022 1.954 417 HB3 ALA 56 2HB ALA 56 7.611 0.189 3.676 418 H LYS 57 H LYS 57 8.119 3.831 2.298 419 HA LYS 57 HA LYS 57 7.471 4.446 -0.519 420 HB2 LYS 57 1HB LYS 57 9.042 5.972 1.587 421 HB3 LYS 57 2HB LYS 57 8.760 6.550 -0.060 422 HG2 LYS 57 1HG LYS 57 6.284 6.403 0.348 423 HG3 LYS 57 2HG LYS 57 6.621 5.926 2.018 424 HD2 LYS 57 1HD LYS 57 7.743 8.070 2.439 425 HD3 LYS 57 2HD LYS 57 7.535 8.545 0.753 426 HE2 LYS 57 1HE LYS 57 5.821 9.618 2.140 427 HE3 LYS 57 2HE LYS 57 5.062 8.447 1.063 428 HZ1 LYS 57 3HZ LYS 57 5.105 8.505 3.883 429 HZ2 LYS 57 1HZ LYS 57 5.815 7.067 3.331 430 HZ3 LYS 57 2HZ LYS 57 4.239 7.474 2.847 431 H GLU 58 H GLU 58 10.015 3.064 1.371 432 HA GLU 58 HA GLU 58 12.282 3.595 -0.144 433 HB2 GLU 58 1HB GLU 58 11.484 0.991 1.214 434 HB3 GLU 58 2HB GLU 58 13.124 1.396 0.701 435 HG2 GLU 58 1HG GLU 58 13.115 3.358 2.224 436 HG3 GLU 58 2HG GLU 58 11.479 2.954 2.737 437 H TYR 59 H TYR 59 9.677 1.294 -0.757 438 HA TYR 59 HA TYR 59 10.866 -0.095 -2.951 439 HB2 TYR 59 1HB TYR 59 8.038 0.310 -1.938 440 HB3 TYR 59 2HB TYR 59 8.266 -0.470 -3.500 441 HD1 TYR 59 HD2 TYR 59 9.364 -0.630 0.094 442 HD2 TYR 59 HD1 TYR 59 8.837 -2.834 -3.575 443 HE1 TYR 59 HE2 TYR 59 9.908 -2.741 1.269 444 HE2 TYR 59 HE1 TYR 59 9.401 -4.931 -2.386 445 HH TYR 59 HH TYR 59 10.521 -4.913 0.941 446 H ILE 60 H ILE 60 9.197 2.975 -2.696 447 HA ILE 60 HA ILE 60 8.830 3.273 -5.578 448 HB ILE 60 HB ILE 60 8.597 5.367 -3.359 449 HG12 ILE 60 1HG1 ILE 60 6.402 3.645 -4.626 450 HG13 ILE 60 2HG1 ILE 60 7.071 3.372 -3.022 451 HG21 ILE 60 1HG2 ILE 60 7.188 6.566 -5.034 452 HG22 ILE 60 2HG2 ILE 60 7.504 5.293 -6.205 453 HG23 ILE 60 3HG2 ILE 60 8.815 6.323 -5.644 454 HD11 ILE 60 3HD1 ILE 60 5.578 5.855 -3.918 455 HD12 ILE 60 1HD1 ILE 60 6.325 5.650 -2.338 456 HD13 ILE 60 2HD1 ILE 60 4.998 4.617 -2.830 Start of MODEL 5 1 H1 MET 1 1H MET 1 -2.244 15.077 -8.650 2 H2 MET 1 2H MET 1 -1.627 13.540 -8.268 3 H3 MET 1 3H MET 1 -3.220 13.951 -7.839 4 HA MET 1 HA MET 1 -3.958 13.132 -9.753 5 HB2 MET 1 1HB MET 1 -2.017 15.158 -10.951 6 HB3 MET 1 2HB MET 1 -3.284 14.331 -11.863 7 HG2 MET 1 1HG MET 1 -5.000 15.316 -10.370 8 HG3 MET 1 2HG MET 1 -3.729 16.152 -9.469 9 HE1 MET 1 3HE MET 1 -4.498 18.569 -9.797 10 HE2 MET 1 1HE MET 1 -5.962 17.730 -10.334 11 HE3 MET 1 2HE MET 1 -5.336 19.095 -11.256 12 H LYS 2 H LYS 2 -0.465 13.467 -9.579 13 HA LYS 2 HA LYS 2 0.203 11.539 -11.547 14 HB2 LYS 2 1HB LYS 2 1.765 13.258 -10.563 15 HB3 LYS 2 2HB LYS 2 1.811 12.299 -9.093 16 HG2 LYS 2 1HG LYS 2 2.739 10.369 -10.385 17 HG3 LYS 2 2HG LYS 2 2.634 11.315 -11.861 18 HD2 LYS 2 1HD LYS 2 4.944 11.439 -11.175 19 HD3 LYS 2 2HD LYS 2 4.241 13.003 -10.772 20 HE2 LYS 2 1HE LYS 2 5.695 12.107 -8.941 21 HE3 LYS 2 2HE LYS 2 4.034 12.304 -8.403 22 HZ1 LYS 2 3HZ LYS 2 5.364 10.065 -8.051 23 HZ2 LYS 2 1HZ LYS 2 4.759 9.749 -9.603 24 HZ3 LYS 2 2HZ LYS 2 3.687 10.078 -8.329 25 H THR 3 H THR 3 0.840 9.384 -11.323 26 HA THR 3 HA THR 3 -0.142 7.965 -8.873 27 HB THR 3 HB THR 3 -0.766 6.122 -10.329 28 HG1 THR 3 HG1 THR 3 0.266 5.973 -12.123 29 HG21 THR 3 3HG2 THR 3 -2.588 7.190 -11.592 30 HG22 THR 3 1HG2 THR 3 -1.767 8.746 -11.510 31 HG23 THR 3 2HG2 THR 3 -2.404 8.008 -10.042 32 H GLY 4 H GLY 4 1.086 6.367 -8.048 33 HA2 GLY 4 1HA GLY 4 3.942 6.265 -8.871 34 HA3 GLY 4 2HA GLY 4 3.260 5.734 -7.340 35 H ILE 5 H ILE 5 4.994 4.258 -9.115 36 HA ILE 5 HA ILE 5 3.211 2.025 -10.017 37 HB ILE 5 HB ILE 5 6.136 2.526 -10.689 38 HG12 ILE 5 1HG1 ILE 5 3.670 2.982 -12.443 39 HG13 ILE 5 2HG1 ILE 5 4.529 4.277 -11.616 40 HG21 ILE 5 1HG2 ILE 5 4.083 0.553 -11.812 41 HG22 ILE 5 2HG2 ILE 5 5.481 0.121 -10.829 42 HG23 ILE 5 3HG2 ILE 5 5.715 0.772 -12.442 43 HD11 ILE 5 3HD1 ILE 5 6.589 3.714 -12.841 44 HD12 ILE 5 1HD1 ILE 5 5.273 4.104 -13.949 45 HD13 ILE 5 2HD1 ILE 5 5.736 2.424 -13.691 46 H VAL 6 H VAL 6 3.114 0.282 -8.790 47 HA VAL 6 HA VAL 6 4.720 -0.026 -6.425 48 HB VAL 6 HB VAL 6 2.800 -1.993 -7.721 49 HG11 VAL 6 1HG1 VAL 6 4.271 -3.072 -6.049 50 HG12 VAL 6 2HG1 VAL 6 2.638 -2.937 -5.410 51 HG13 VAL 6 3HG1 VAL 6 3.883 -1.810 -4.881 52 HG21 VAL 6 3HG2 VAL 6 1.135 -1.074 -6.112 53 HG22 VAL 6 1HG2 VAL 6 1.688 0.156 -7.247 54 HG23 VAL 6 2HG2 VAL 6 2.314 0.136 -5.598 55 H ASN 7 H ASN 7 6.532 -1.211 -6.166 56 HA ASN 7 HA ASN 7 8.057 -2.131 -8.368 57 HB2 ASN 7 1HB ASN 7 8.296 -2.841 -5.428 58 HB3 ASN 7 2HB ASN 7 9.542 -3.120 -6.643 59 HD21 ASN 7 2HD2 ASN 7 10.948 -1.397 -7.072 60 HD22 ASN 7 1HD2 ASN 7 10.732 0.182 -6.490 61 H VAL 8 H VAL 8 7.389 -3.771 -9.633 62 HA VAL 8 HA VAL 8 5.644 -5.858 -8.961 63 HB VAL 8 HB VAL 8 6.169 -5.274 -11.281 64 HG11 VAL 8 1HG1 VAL 8 8.336 -5.856 -12.302 65 HG12 VAL 8 2HG1 VAL 8 8.928 -6.472 -10.767 66 HG13 VAL 8 3HG1 VAL 8 8.584 -4.751 -10.952 67 HG21 VAL 8 3HG2 VAL 8 6.226 -7.520 -12.218 68 HG22 VAL 8 1HG2 VAL 8 5.397 -7.663 -10.667 69 HG23 VAL 8 2HG2 VAL 8 7.083 -8.162 -10.821 70 H SER 9 H SER 9 8.940 -5.406 -8.148 71 HA SER 9 HA SER 9 9.949 -7.965 -7.950 72 HB2 SER 9 1HB SER 9 10.398 -5.656 -6.025 73 HB3 SER 9 2HB SER 9 11.417 -7.092 -6.160 74 HG SER 9 HG SER 9 11.237 -6.295 -8.572 75 H SER 10 H SER 10 8.804 -9.637 -7.138 76 HA SER 10 HA SER 10 7.676 -10.987 -5.691 77 HB2 SER 10 1HB SER 10 8.199 -10.771 -3.315 78 HB3 SER 10 2HB SER 10 9.650 -10.379 -4.232 79 HG SER 10 HG SER 10 8.400 -8.891 -2.446 80 H SER 11 H SER 11 6.832 -9.190 -3.091 81 HA SER 11 HA SER 11 4.467 -7.841 -4.214 82 HB2 SER 11 1HB SER 11 3.690 -10.160 -3.970 83 HB3 SER 11 2HB SER 11 4.225 -10.178 -2.291 84 HG SER 11 HG SER 11 2.595 -8.928 -1.749 85 H LEU 12 H LEU 12 3.378 -6.543 -2.680 86 HA LEU 12 HA LEU 12 5.111 -5.701 -0.405 87 HB2 LEU 12 1HB LEU 12 3.244 -4.258 -2.280 88 HB3 LEU 12 2HB LEU 12 3.479 -3.591 -0.668 89 HG LEU 12 HG LEU 12 5.041 -2.608 -2.327 90 HD11 LEU 12 1HD1 LEU 12 5.708 -3.268 0.261 91 HD12 LEU 12 2HD1 LEU 12 6.747 -2.356 -0.805 92 HD13 LEU 12 3HD1 LEU 12 7.008 -4.083 -0.610 93 HD21 LEU 12 3HD2 LEU 12 6.504 -5.266 -2.555 94 HD22 LEU 12 1HD2 LEU 12 6.632 -3.855 -3.593 95 HD23 LEU 12 2HD2 LEU 12 5.200 -4.871 -3.675 96 H ASN 13 H ASN 13 4.427 -5.703 1.600 97 HA ASN 13 HA ASN 13 1.877 -7.051 2.232 98 HB2 ASN 13 1HB ASN 13 4.234 -6.206 3.976 99 HB3 ASN 13 2HB ASN 13 2.862 -7.184 4.498 100 HD21 ASN 13 2HD2 ASN 13 6.019 -7.452 3.397 101 HD22 ASN 13 1HD2 ASN 13 5.948 -9.037 2.795 102 H VAL 14 H VAL 14 0.198 -6.031 3.082 103 HA VAL 14 HA VAL 14 0.321 -3.085 3.408 104 HB VAL 14 HB VAL 14 -2.049 -4.968 3.436 105 HG11 VAL 14 1HG1 VAL 14 -1.876 -1.931 3.299 106 HG12 VAL 14 2HG1 VAL 14 -2.546 -2.862 4.636 107 HG13 VAL 14 3HG1 VAL 14 -3.359 -2.850 3.077 108 HG21 VAL 14 3HG2 VAL 14 -0.877 -4.923 1.252 109 HG22 VAL 14 1HG2 VAL 14 -0.986 -3.165 1.228 110 HG23 VAL 14 2HG2 VAL 14 -2.452 -4.146 1.145 111 H ARG 15 H ARG 15 1.099 -2.547 5.368 112 HA ARG 15 HA ARG 15 0.505 -4.075 7.777 113 HB2 ARG 15 1HB ARG 15 1.955 -1.454 7.277 114 HB3 ARG 15 2HB ARG 15 1.835 -2.222 8.853 115 HG2 ARG 15 1HG ARG 15 2.966 -4.246 7.956 116 HG3 ARG 15 2HG ARG 15 3.090 -3.470 6.378 117 HD2 ARG 15 1HD ARG 15 4.465 -1.670 7.381 118 HD3 ARG 15 2HD ARG 15 4.368 -2.466 8.947 119 HE ARG 15 HE ARG 15 6.091 -3.189 6.763 120 HH11 ARG 15 1HH2 ARG 15 4.258 -4.477 9.426 121 HH12 ARG 15 2HH2 ARG 15 5.258 -5.880 9.605 122 HH21 ARG 15 1HH1 ARG 15 7.395 -5.015 7.013 123 HH22 ARG 15 2HH1 ARG 15 7.034 -6.181 8.241 124 H SER 16 H SER 16 -0.727 -3.368 9.497 125 HA SER 16 HA SER 16 -3.082 -1.822 8.846 126 HB2 SER 16 1HB SER 16 -3.710 -2.273 11.189 127 HB3 SER 16 2HB SER 16 -3.125 -3.741 10.407 128 HG SER 16 HG SER 16 -2.271 -2.909 12.615 129 H SER 17 H SER 17 0.046 -1.093 10.111 130 HA SER 17 HA SER 17 -0.536 1.749 10.250 131 HB2 SER 17 1HB SER 17 -0.032 2.049 12.610 132 HB3 SER 17 2HB SER 17 -1.347 0.884 12.475 133 HG SER 17 HG SER 17 -0.087 -0.591 13.286 134 H ALA 18 H ALA 18 1.454 2.939 11.099 135 HA ALA 18 HA ALA 18 3.736 2.085 9.562 136 HB1 ALA 18 3HB ALA 18 3.367 4.365 11.536 137 HB2 ALA 18 1HB ALA 18 3.232 4.470 9.777 138 HB3 ALA 18 2HB ALA 18 4.797 4.152 10.535 139 H SER 19 H SER 19 3.460 -0.035 11.048 140 HA SER 19 HA SER 19 5.764 0.011 12.917 141 HB2 SER 19 1HB SER 19 3.036 -1.124 13.621 142 HB3 SER 19 2HB SER 19 4.494 -1.299 14.594 143 HG SER 19 HG SER 19 4.299 0.700 15.226 144 H THR 20 H THR 20 7.073 -1.641 12.578 145 HA THR 20 HA THR 20 6.625 -3.538 10.504 146 HB THR 20 HB THR 20 8.752 -4.533 11.236 147 HG1 THR 20 HG1 THR 20 8.790 -4.510 13.363 148 HG21 THR 20 3HG2 THR 20 8.814 -2.396 9.940 149 HG22 THR 20 1HG2 THR 20 10.168 -2.520 11.063 150 HG23 THR 20 2HG2 THR 20 8.791 -1.496 11.457 151 H SER 21 H SER 21 5.987 -3.547 13.923 152 HA SER 21 HA SER 21 5.707 -6.386 14.272 153 HB2 SER 21 1HB SER 21 4.575 -4.083 15.894 154 HB3 SER 21 2HB SER 21 4.620 -5.771 16.406 155 HG SER 21 HG SER 21 6.701 -3.921 16.067 156 H SER 22 H SER 22 3.879 -4.139 12.565 157 HA SER 22 HA SER 22 1.220 -5.012 13.123 158 HB2 SER 22 1HB SER 22 2.369 -3.740 10.627 159 HB3 SER 22 2HB SER 22 0.651 -3.910 10.973 160 HG SER 22 HG SER 22 0.781 -2.289 12.293 161 H LYS 23 H LYS 23 0.134 -6.748 12.415 162 HA LYS 23 HA LYS 23 1.477 -8.889 11.035 163 HB2 LYS 23 1HB LYS 23 -1.450 -8.510 11.766 164 HB3 LYS 23 2HB LYS 23 -0.728 -10.021 11.200 165 HG2 LYS 23 1HG LYS 23 0.807 -10.015 13.155 166 HG3 LYS 23 2HG LYS 23 0.068 -8.517 13.726 167 HD2 LYS 23 1HD LYS 23 -2.120 -9.669 13.927 168 HD3 LYS 23 2HD LYS 23 -1.386 -11.167 13.352 169 HE2 LYS 23 1HE LYS 23 0.140 -11.171 15.307 170 HE3 LYS 23 2HE LYS 23 -0.598 -9.675 15.884 171 HZ1 LYS 23 3HZ LYS 23 -1.961 -11.046 16.966 172 HZ2 LYS 23 1HZ LYS 23 -1.589 -12.377 15.985 173 HZ3 LYS 23 2HZ LYS 23 -2.735 -11.236 15.466 174 H VAL 24 H VAL 24 0.372 -9.963 9.148 175 HA VAL 24 HA VAL 24 0.020 -7.972 7.011 176 HB VAL 24 HB VAL 24 0.186 -11.002 6.783 177 HG11 VAL 24 1HG1 VAL 24 0.835 -10.479 4.434 178 HG12 VAL 24 2HG1 VAL 24 0.605 -8.761 4.754 179 HG13 VAL 24 3HG1 VAL 24 -0.771 -9.862 4.797 180 HG21 VAL 24 3HG2 VAL 24 2.399 -8.906 6.627 181 HG22 VAL 24 1HG2 VAL 24 2.589 -10.612 6.223 182 HG23 VAL 24 2HG2 VAL 24 2.226 -10.139 7.877 183 H ILE 25 H ILE 25 -1.960 -7.245 6.708 184 HA ILE 25 HA ILE 25 -4.346 -8.813 7.389 185 HB ILE 25 HB ILE 25 -5.563 -6.768 6.801 186 HG12 ILE 25 1HG1 ILE 25 -3.641 -4.734 6.290 187 HG13 ILE 25 2HG1 ILE 25 -3.015 -6.082 5.363 188 HG21 ILE 25 1HG2 ILE 25 -3.080 -6.207 8.476 189 HG22 ILE 25 2HG2 ILE 25 -4.573 -6.948 9.057 190 HG23 ILE 25 3HG2 ILE 25 -4.572 -5.271 8.514 191 HD11 ILE 25 3HD1 ILE 25 -4.466 -4.775 3.942 192 HD12 ILE 25 1HD1 ILE 25 -5.761 -4.832 5.131 193 HD13 ILE 25 2HD1 ILE 25 -5.276 -6.291 4.276 194 H GLY 26 H GLY 26 -2.463 -7.934 4.571 195 HA2 GLY 26 1HA GLY 26 -3.493 -9.878 2.864 196 HA3 GLY 26 2HA GLY 26 -4.420 -8.413 2.560 197 H SER 27 H SER 27 -3.335 -8.896 0.405 198 HA SER 27 HA SER 27 -1.072 -7.055 0.126 199 HB2 SER 27 1HB SER 27 0.330 -8.629 -1.092 200 HB3 SER 27 2HB SER 27 -0.033 -9.310 0.496 201 HG SER 27 HG SER 27 -1.936 -9.903 -1.336 202 H LEU 28 H LEU 28 -0.933 -6.133 -1.858 203 HA LEU 28 HA LEU 28 -3.242 -6.582 -3.719 204 HB2 LEU 28 1HB LEU 28 -2.600 -4.313 -4.604 205 HB3 LEU 28 2HB LEU 28 -3.091 -4.289 -2.918 206 HG LEU 28 HG LEU 28 -0.124 -4.666 -3.316 207 HD11 LEU 28 1HD1 LEU 28 -1.399 -2.021 -4.063 208 HD12 LEU 28 2HD1 LEU 28 -0.494 -3.091 -5.128 209 HD13 LEU 28 3HD1 LEU 28 0.332 -2.280 -3.800 210 HD21 LEU 28 3HD2 LEU 28 -1.236 -4.330 -1.108 211 HD22 LEU 28 1HD2 LEU 28 -1.679 -2.696 -1.588 212 HD23 LEU 28 2HD2 LEU 28 0.026 -3.142 -1.415 213 H SER 29 H SER 29 -2.512 -5.788 -6.018 214 HA SER 29 HA SER 29 -0.425 -7.691 -6.881 215 HB2 SER 29 1HB SER 29 -1.344 -7.329 -9.116 216 HB3 SER 29 2HB SER 29 -2.649 -7.684 -7.986 217 HG SER 29 HG SER 29 -3.420 -5.764 -8.320 218 H GLY 30 H GLY 30 1.387 -7.109 -7.994 219 HA2 GLY 30 1HA GLY 30 2.475 -4.468 -7.533 220 HA3 GLY 30 2HA GLY 30 3.236 -5.797 -8.405 221 H ASN 31 H ASN 31 3.257 -3.068 -9.201 222 HA ASN 31 HA ASN 31 3.124 -1.855 -11.136 223 HB2 ASN 31 1HB ASN 31 3.545 -4.127 -12.261 224 HB3 ASN 31 2HB ASN 31 1.809 -4.263 -12.487 225 HD21 ASN 31 2HD2 ASN 31 0.802 -2.963 -14.098 226 HD22 ASN 31 1HD2 ASN 31 1.694 -2.032 -15.201 227 H THR 32 H THR 32 0.874 -2.201 -9.142 228 HA THR 32 HA THR 32 -1.530 -1.600 -10.741 229 HB THR 32 HB THR 32 -1.169 -1.754 -7.732 230 HG1 THR 32 HG1 THR 32 -1.165 -3.610 -9.549 231 HG21 THR 32 3HG2 THR 32 -3.666 -1.579 -9.476 232 HG22 THR 32 1HG2 THR 32 -3.147 -0.394 -8.274 233 HG23 THR 32 2HG2 THR 32 -3.680 -1.993 -7.765 234 H LYS 33 H LYS 33 -2.415 0.370 -10.983 235 HA LYS 33 HA LYS 33 -0.845 2.728 -10.201 236 HB2 LYS 33 1HB LYS 33 -3.157 2.198 -12.078 237 HB3 LYS 33 2HB LYS 33 -2.828 3.851 -11.570 238 HG2 LYS 33 1HG LYS 33 -1.706 3.392 -13.698 239 HG3 LYS 33 2HG LYS 33 -0.509 3.651 -12.432 240 HD2 LYS 33 1HD LYS 33 -0.132 1.231 -12.223 241 HD3 LYS 33 2HD LYS 33 -1.435 0.896 -13.362 242 HE2 LYS 33 1HE LYS 33 -0.163 2.052 -15.146 243 HE3 LYS 33 2HE LYS 33 1.135 2.394 -13.997 244 HZ1 LYS 33 3HZ LYS 33 1.278 0.303 -15.474 245 HZ2 LYS 33 1HZ LYS 33 0.185 -0.363 -14.363 246 HZ3 LYS 33 2HZ LYS 33 1.700 0.192 -13.832 247 H VAL 34 H VAL 34 -1.531 4.337 -8.906 248 HA VAL 34 HA VAL 34 -4.152 4.262 -7.624 249 HB VAL 34 HB VAL 34 -2.918 2.678 -6.246 250 HG11 VAL 34 1HG1 VAL 34 -0.802 4.840 -5.860 251 HG12 VAL 34 2HG1 VAL 34 -0.604 3.397 -6.857 252 HG13 VAL 34 3HG1 VAL 34 -0.810 3.245 -5.114 253 HG21 VAL 34 3HG2 VAL 34 -3.196 3.745 -4.080 254 HG22 VAL 34 1HG2 VAL 34 -4.443 4.391 -5.139 255 HG23 VAL 34 2HG2 VAL 34 -3.009 5.349 -4.763 256 H THR 35 H THR 35 -4.779 6.254 -7.032 257 HA THR 35 HA THR 35 -3.090 8.529 -7.721 258 HB THR 35 HB THR 35 -5.097 9.850 -7.207 259 HG1 THR 35 HG1 THR 35 -6.946 8.204 -6.690 260 HG21 THR 35 3HG2 THR 35 -6.621 8.880 -8.868 261 HG22 THR 35 1HG2 THR 35 -5.836 7.310 -8.706 262 HG23 THR 35 2HG2 THR 35 -4.958 8.666 -9.416 263 H ILE 36 H ILE 36 -1.438 8.217 -6.142 264 HA ILE 36 HA ILE 36 -1.587 7.960 -3.411 265 HB ILE 36 HB ILE 36 0.203 9.880 -4.933 266 HG12 ILE 36 1HG1 ILE 36 0.838 7.042 -3.995 267 HG13 ILE 36 2HG1 ILE 36 0.294 7.421 -5.628 268 HG21 ILE 36 1HG2 ILE 36 0.418 8.839 -2.060 269 HG22 ILE 36 2HG2 ILE 36 0.365 10.526 -2.584 270 HG23 ILE 36 3HG2 ILE 36 1.776 9.569 -2.922 271 HD11 ILE 36 3HD1 ILE 36 2.797 8.537 -4.317 272 HD12 ILE 36 1HD1 ILE 36 2.248 8.884 -5.955 273 HD13 ILE 36 2HD1 ILE 36 2.759 7.257 -5.518 274 H VAL 37 H VAL 37 -1.496 9.548 -1.654 275 HA VAL 37 HA VAL 37 -3.120 12.014 -2.183 276 HB VAL 37 HB VAL 37 -3.287 10.187 0.251 277 HG11 VAL 37 1HG1 VAL 37 -3.808 12.542 0.776 278 HG12 VAL 37 2HG1 VAL 37 -5.290 11.592 0.792 279 HG13 VAL 37 3HG1 VAL 37 -4.917 12.621 -0.592 280 HG21 VAL 37 3HG2 VAL 37 -5.523 9.556 -0.636 281 HG22 VAL 37 1HG2 VAL 37 -4.228 9.058 -1.721 282 HG23 VAL 37 2HG2 VAL 37 -5.194 10.482 -2.100 283 H GLY 38 H GLY 38 -1.887 11.028 0.927 284 HA2 GLY 38 1HA GLY 38 0.040 13.308 0.936 285 HA3 GLY 38 2HA GLY 38 -0.902 12.759 2.313 286 H GLU 39 H GLU 39 1.127 12.658 3.382 287 HA GLU 39 HA GLU 39 2.408 10.000 3.086 288 HB2 GLU 39 1HB GLU 39 4.637 10.978 3.159 289 HB3 GLU 39 2HB GLU 39 3.746 11.625 1.784 290 HG2 GLU 39 1HG GLU 39 4.722 13.609 2.697 291 HG3 GLU 39 2HG GLU 39 3.118 13.634 3.425 292 H GLU 40 H GLU 40 3.248 9.188 4.977 293 HA GLU 40 HA GLU 40 3.297 10.811 7.411 294 HB2 GLU 40 1HB GLU 40 0.905 10.126 7.186 295 HB3 GLU 40 2HB GLU 40 1.399 8.436 7.217 296 HG2 GLU 40 1HG GLU 40 2.377 8.758 9.484 297 HG3 GLU 40 2HG GLU 40 1.918 10.459 9.441 298 H GLY 41 H GLY 41 5.028 10.190 8.541 299 HA2 GLY 41 1HA GLY 41 6.823 8.952 9.264 300 HA3 GLY 41 2HA GLY 41 5.682 7.615 9.328 301 H ALA 42 H ALA 42 7.249 6.104 8.630 302 HA ALA 42 HA ALA 42 8.563 6.448 6.044 303 HB1 ALA 42 3HB ALA 42 8.558 4.073 7.925 304 HB2 ALA 42 1HB ALA 42 9.785 5.340 7.875 305 HB3 ALA 42 2HB ALA 42 9.583 4.247 6.491 306 H PHE 43 H PHE 43 5.614 6.362 6.143 307 HA PHE 43 HA PHE 43 5.199 4.243 4.122 308 HB2 PHE 43 1HB PHE 43 3.379 4.593 6.543 309 HB3 PHE 43 2HB PHE 43 3.146 3.457 5.212 310 HD1 PHE 43 HD2 PHE 43 5.233 4.272 8.166 311 HD2 PHE 43 HD1 PHE 43 4.550 1.418 5.019 312 HE1 PHE 43 HE2 PHE 43 6.676 2.628 9.340 313 HE2 PHE 43 HE1 PHE 43 6.024 -0.208 6.181 314 HZ PHE 43 HZ PHE 43 7.070 0.389 8.349 315 H TYR 44 H TYR 44 3.440 4.586 2.785 316 HA TYR 44 HA TYR 44 2.406 7.389 2.712 317 HB2 TYR 44 1HB TYR 44 3.483 5.526 0.645 318 HB3 TYR 44 2HB TYR 44 2.000 6.337 0.165 319 HD1 TYR 44 HD2 TYR 44 4.929 7.491 2.269 320 HD2 TYR 44 HD1 TYR 44 2.620 8.132 -1.283 321 HE1 TYR 44 HE2 TYR 44 6.218 9.560 1.786 322 HE2 TYR 44 HE1 TYR 44 3.878 10.217 -1.731 323 HH TYR 44 HH TYR 44 5.217 11.804 -0.620 324 H LYS 45 H LYS 45 0.315 7.771 2.242 325 HA LYS 45 HA LYS 45 -1.574 5.702 3.133 326 HB2 LYS 45 1HB LYS 45 -1.959 8.602 2.338 327 HB3 LYS 45 2HB LYS 45 -3.184 7.575 3.085 328 HG2 LYS 45 1HG LYS 45 -1.647 7.280 5.056 329 HG3 LYS 45 2HG LYS 45 -0.539 8.428 4.334 330 HD2 LYS 45 1HD LYS 45 -3.447 9.064 5.039 331 HD3 LYS 45 2HD LYS 45 -2.080 9.441 6.079 332 HE2 LYS 45 1HE LYS 45 -2.621 10.608 3.310 333 HE3 LYS 45 2HE LYS 45 -2.640 11.461 4.845 334 HZ1 LYS 45 3HZ LYS 45 -0.550 11.915 4.006 335 HZ2 LYS 45 1HZ LYS 45 -0.329 10.346 3.396 336 HZ3 LYS 45 2HZ LYS 45 -0.257 10.622 5.069 337 H ILE 46 H ILE 46 -3.096 4.810 1.906 338 HA ILE 46 HA ILE 46 -3.535 5.648 -0.869 339 HB ILE 46 HB ILE 46 -3.080 3.356 -1.721 340 HG12 ILE 46 1HG1 ILE 46 -1.731 2.872 0.966 341 HG13 ILE 46 2HG1 ILE 46 -3.296 2.192 0.538 342 HG21 ILE 46 1HG2 ILE 46 -0.668 3.576 -1.911 343 HG22 ILE 46 2HG2 ILE 46 -0.562 4.513 -0.430 344 HG23 ILE 46 3HG2 ILE 46 -1.322 5.212 -1.863 345 HD11 ILE 46 3HD1 ILE 46 -1.699 0.498 0.117 346 HD12 ILE 46 1HD1 ILE 46 -0.618 1.612 -0.726 347 HD13 ILE 46 2HD1 ILE 46 -2.142 1.114 -1.465 348 H GLU 47 H GLU 47 -5.172 4.116 -1.885 349 HA GLU 47 HA GLU 47 -7.041 2.925 0.067 350 HB2 GLU 47 1HB GLU 47 -7.653 5.358 -0.192 351 HB3 GLU 47 2HB GLU 47 -7.941 5.063 -1.906 352 HG2 GLU 47 1HG GLU 47 -9.665 3.363 -1.333 353 HG3 GLU 47 2HG GLU 47 -9.369 3.630 0.385 354 H TYR 48 H TYR 48 -7.122 0.942 -0.728 355 HA TYR 48 HA TYR 48 -8.024 0.567 -3.524 356 HB2 TYR 48 1HB TYR 48 -5.514 0.271 -3.368 357 HB3 TYR 48 2HB TYR 48 -5.772 -1.062 -2.254 358 HD1 TYR 48 HD1 TYR 48 -6.812 0.181 -5.658 359 HD2 TYR 48 HD2 TYR 48 -6.150 -3.299 -3.192 360 HE1 TYR 48 HE1 TYR 48 -7.273 -1.297 -7.597 361 HE2 TYR 48 HE2 TYR 48 -6.614 -4.754 -5.155 362 HH TYR 48 HH TYR 48 -6.721 -4.743 -7.444 363 H LYS 49 H LYS 49 -8.910 -1.568 -3.891 364 HA LYS 49 HA LYS 49 -10.396 -3.175 -3.421 365 HB2 LYS 49 1HB LYS 49 -8.191 -3.720 -1.859 366 HB3 LYS 49 2HB LYS 49 -9.412 -3.614 -0.602 367 HG2 LYS 49 1HG LYS 49 -10.774 -5.283 -1.829 368 HG3 LYS 49 2HG LYS 49 -9.525 -5.401 -3.060 369 HD2 LYS 49 1HD LYS 49 -7.891 -6.206 -1.394 370 HD3 LYS 49 2HD LYS 49 -9.093 -6.057 -0.111 371 HE2 LYS 49 1HE LYS 49 -8.925 -8.403 -0.896 372 HE3 LYS 49 2HE LYS 49 -10.521 -7.733 -1.249 373 HZ1 LYS 49 3HZ LYS 49 -8.554 -7.279 -3.308 374 HZ2 LYS 49 1HZ LYS 49 -10.158 -7.815 -3.436 375 HZ3 LYS 49 2HZ LYS 49 -8.922 -8.917 -3.056 376 H GLY 50 H GLY 50 -10.780 -0.293 -2.444 377 HA2 GLY 50 1HA GLY 50 -12.626 0.860 -1.628 378 HA3 GLY 50 2HA GLY 50 -13.394 -0.680 -1.228 379 H SER 51 H SER 51 -10.389 -0.889 0.045 380 HA SER 51 HA SER 51 -11.138 0.154 2.736 381 HB2 SER 51 1HB SER 51 -9.371 -2.229 2.054 382 HB3 SER 51 2HB SER 51 -9.737 -1.645 3.675 383 HG SER 51 HG SER 51 -11.723 -2.397 3.517 384 H HIS 52 H HIS 52 -9.069 0.335 4.108 385 HA HIS 52 HA HIS 52 -7.167 2.111 2.632 386 HB2 HIS 52 1HB HIS 52 -6.716 3.087 4.876 387 HB3 HIS 52 2HB HIS 52 -8.410 3.233 4.412 388 HD1 HIS 52 HD1 HIS 52 -6.130 1.317 6.721 389 HD2 HIS 52 HD2 HIS 52 -10.209 1.752 5.992 390 HE1 HIS 52 HE1 HIS 52 -7.325 0.175 8.639 391 HE2 HIS 52 HE2 HIS 52 -9.815 0.433 8.208 392 H GLY 53 H GLY 53 -5.025 1.779 2.713 393 HA2 GLY 53 1HA GLY 53 -3.881 -0.366 4.414 394 HA3 GLY 53 2HA GLY 53 -3.735 -0.473 2.658 395 H TYR 54 H TYR 54 -1.519 -0.364 4.288 396 HA TYR 54 HA TYR 54 -0.323 2.285 3.546 397 HB2 TYR 54 1HB TYR 54 0.181 0.691 6.090 398 HB3 TYR 54 2HB TYR 54 1.025 2.168 5.620 399 HD1 TYR 54 HD2 TYR 54 -2.301 0.751 6.561 400 HD2 TYR 54 HD1 TYR 54 -0.051 4.369 5.885 401 HE1 TYR 54 HE2 TYR 54 -4.139 2.089 7.544 402 HE2 TYR 54 HE1 TYR 54 -1.913 5.683 6.877 403 HH TYR 54 HH TYR 54 -3.757 5.410 8.339 404 H VAL 55 H VAL 55 1.723 2.239 2.796 405 HA VAL 55 HA VAL 55 3.196 -0.318 2.657 406 HB VAL 55 HB VAL 55 2.519 1.285 0.153 407 HG11 VAL 55 1HG1 VAL 55 4.706 0.199 -0.033 408 HG12 VAL 55 2HG1 VAL 55 3.555 -0.695 -1.016 409 HG13 VAL 55 3HG1 VAL 55 4.039 -1.326 0.558 410 HG21 VAL 55 3HG2 VAL 55 0.510 0.108 0.874 411 HG22 VAL 55 1HG2 VAL 55 1.403 -1.382 1.141 412 HG23 VAL 55 2HG2 VAL 55 1.169 -0.761 -0.493 413 H ALA 56 H ALA 56 5.367 -0.075 2.296 414 HA ALA 56 HA ALA 56 6.607 2.241 3.333 415 HB1 ALA 56 3HB ALA 56 7.654 0.002 3.368 416 HB2 ALA 56 1HB ALA 56 8.704 1.168 2.565 417 HB3 ALA 56 2HB ALA 56 7.763 0.025 1.608 418 H LYS 57 H LYS 57 7.934 3.771 2.302 419 HA LYS 57 HA LYS 57 7.121 4.453 -0.490 420 HB2 LYS 57 1HB LYS 57 7.840 6.738 0.096 421 HB3 LYS 57 2HB LYS 57 6.582 6.129 1.163 422 HG2 LYS 57 1HG LYS 57 8.223 5.558 2.888 423 HG3 LYS 57 2HG LYS 57 9.541 6.070 1.841 424 HD2 LYS 57 1HD LYS 57 8.403 8.402 1.799 425 HD3 LYS 57 2HD LYS 57 7.412 7.816 3.135 426 HE2 LYS 57 1HE LYS 57 9.246 8.887 4.244 427 HE3 LYS 57 2HE LYS 57 9.762 7.201 4.224 428 HZ1 LYS 57 3HZ LYS 57 10.920 9.427 2.911 429 HZ2 LYS 57 1HZ LYS 57 10.546 8.192 1.812 430 HZ3 LYS 57 2HZ LYS 57 11.542 7.862 3.147 431 H GLU 58 H GLU 58 9.887 3.781 1.547 432 HA GLU 58 HA GLU 58 11.919 4.698 -0.217 433 HB2 GLU 58 1HB GLU 58 13.405 3.212 1.155 434 HB3 GLU 58 2HB GLU 58 12.398 4.280 2.130 435 HG2 GLU 58 1HG GLU 58 10.791 2.444 2.523 436 HG3 GLU 58 2HG GLU 58 11.766 1.357 1.544 437 H TYR 59 H TYR 59 10.082 1.730 -0.015 438 HA TYR 59 HA TYR 59 11.719 0.092 -1.661 439 HB2 TYR 59 1HB TYR 59 10.008 -1.495 -1.417 440 HB3 TYR 59 2HB TYR 59 9.466 -0.369 -0.177 441 HD1 TYR 59 HD1 TYR 59 8.054 1.685 -1.079 442 HD2 TYR 59 HD2 TYR 59 8.350 -2.075 -3.111 443 HE1 TYR 59 HE1 TYR 59 5.947 2.179 -2.308 444 HE2 TYR 59 HE2 TYR 59 6.258 -1.558 -4.348 445 HH TYR 59 HH TYR 59 4.643 1.553 -4.038 446 H ILE 60 H ILE 60 10.199 2.946 -2.450 447 HA ILE 60 HA ILE 60 9.269 2.291 -5.143 448 HB ILE 60 HB ILE 60 9.750 5.004 -3.833 449 HG12 ILE 60 1HG1 ILE 60 7.116 3.499 -4.222 450 HG13 ILE 60 2HG1 ILE 60 7.986 3.538 -2.711 451 HG21 ILE 60 1HG2 ILE 60 8.234 4.262 -6.368 452 HG22 ILE 60 2HG2 ILE 60 9.739 5.180 -6.298 453 HG23 ILE 60 3HG2 ILE 60 8.263 5.871 -5.650 454 HD11 ILE 60 3HD1 ILE 60 7.780 6.038 -2.686 455 HD12 ILE 60 1HD1 ILE 60 6.218 5.220 -2.647 456 HD13 ILE 60 2HD1 ILE 60 6.802 5.932 -4.151 Start of MODEL 6 1 H1 MET 1 1H MET 1 1.686 14.847 -6.367 2 H2 MET 1 2H MET 1 2.828 13.709 -5.831 3 H3 MET 1 3H MET 1 1.166 13.387 -5.677 4 HA MET 1 HA MET 1 2.033 13.964 -8.370 5 HB2 MET 1 1HB MET 1 3.042 11.682 -8.658 6 HB3 MET 1 2HB MET 1 3.999 12.719 -7.606 7 HG2 MET 1 1HG MET 1 2.989 11.632 -5.610 8 HG3 MET 1 2HG MET 1 2.039 10.589 -6.663 9 HE1 MET 1 3HE MET 1 6.534 10.329 -5.751 10 HE2 MET 1 1HE MET 1 5.253 10.908 -4.678 11 HE3 MET 1 2HE MET 1 5.724 11.853 -6.087 12 H LYS 2 H LYS 2 0.889 12.429 -9.834 13 HA LYS 2 HA LYS 2 -1.841 12.124 -9.122 14 HB2 LYS 2 1HB LYS 2 -0.266 10.910 -11.413 15 HB3 LYS 2 2HB LYS 2 -2.027 10.914 -11.300 16 HG2 LYS 2 1HG LYS 2 -2.020 13.399 -11.283 17 HG3 LYS 2 2HG LYS 2 -0.259 13.396 -11.402 18 HD2 LYS 2 1HD LYS 2 -0.406 12.213 -13.585 19 HD3 LYS 2 2HD LYS 2 -2.164 12.212 -13.467 20 HE2 LYS 2 1HE LYS 2 -2.167 14.692 -13.475 21 HE3 LYS 2 2HE LYS 2 -0.405 14.694 -13.592 22 HZ1 LYS 2 3HZ LYS 2 -0.723 14.650 -15.779 23 HZ2 LYS 2 1HZ LYS 2 -2.365 14.252 -15.632 24 HZ3 LYS 2 2HZ LYS 2 -1.189 13.027 -15.590 25 H THR 3 H THR 3 0.070 9.417 -10.316 26 HA THR 3 HA THR 3 -0.727 7.736 -7.973 27 HB THR 3 HB THR 3 -1.536 5.968 -9.395 28 HG1 THR 3 HG1 THR 3 -0.552 5.776 -11.219 29 HG21 THR 3 3HG2 THR 3 -2.577 8.532 -10.664 30 HG22 THR 3 1HG2 THR 3 -3.143 7.907 -9.118 31 HG23 THR 3 2HG2 THR 3 -3.410 6.982 -10.594 32 H GLY 4 H GLY 4 0.642 5.983 -7.569 33 HA2 GLY 4 1HA GLY 4 3.386 6.235 -8.646 34 HA3 GLY 4 2HA GLY 4 2.887 5.393 -7.184 35 H ILE 5 H ILE 5 4.421 4.565 -9.678 36 HA ILE 5 HA ILE 5 2.784 2.215 -10.539 37 HB ILE 5 HB ILE 5 5.222 3.484 -11.865 38 HG12 ILE 5 1HG1 ILE 5 2.280 3.584 -12.697 39 HG13 ILE 5 2HG1 ILE 5 3.119 4.915 -11.914 40 HG21 ILE 5 1HG2 ILE 5 4.583 1.982 -13.788 41 HG22 ILE 5 2HG2 ILE 5 3.330 1.262 -12.785 42 HG23 ILE 5 3HG2 ILE 5 5.026 1.054 -12.365 43 HD11 ILE 5 3HD1 ILE 5 3.783 3.722 -14.622 44 HD12 ILE 5 1HD1 ILE 5 4.753 4.957 -13.816 45 HD13 ILE 5 2HD1 ILE 5 3.097 5.314 -14.303 46 H VAL 6 H VAL 6 3.571 0.186 -10.266 47 HA VAL 6 HA VAL 6 6.163 -0.176 -8.816 48 HB VAL 6 HB VAL 6 3.860 -2.167 -8.682 49 HG11 VAL 6 1HG1 VAL 6 6.127 -1.518 -6.724 50 HG12 VAL 6 2HG1 VAL 6 6.205 -2.808 -7.923 51 HG13 VAL 6 3HG1 VAL 6 5.010 -2.881 -6.626 52 HG21 VAL 6 3HG2 VAL 6 2.920 -0.041 -7.919 53 HG22 VAL 6 1HG2 VAL 6 4.295 0.200 -6.842 54 HG23 VAL 6 2HG2 VAL 6 3.167 -1.125 -6.555 55 H ASN 7 H ASN 7 7.677 -1.063 -10.222 56 HA ASN 7 HA ASN 7 6.847 -2.640 -12.521 57 HB2 ASN 7 1HB ASN 7 9.585 -1.968 -11.361 58 HB3 ASN 7 2HB ASN 7 9.307 -2.758 -12.914 59 HD21 ASN 7 2HD2 ASN 7 10.091 0.213 -11.733 60 HD22 ASN 7 1HD2 ASN 7 9.333 1.201 -12.887 61 H VAL 8 H VAL 8 7.197 -4.849 -12.775 62 HA VAL 8 HA VAL 8 6.810 -6.587 -10.674 63 HB VAL 8 HB VAL 8 6.456 -7.136 -13.051 64 HG11 VAL 8 1HG1 VAL 8 8.515 -6.116 -13.974 65 HG12 VAL 8 2HG1 VAL 8 8.346 -7.793 -14.492 66 HG13 VAL 8 3HG1 VAL 8 9.487 -7.379 -13.219 67 HG21 VAL 8 3HG2 VAL 8 6.637 -8.975 -11.373 68 HG22 VAL 8 1HG2 VAL 8 8.367 -9.097 -11.701 69 HG23 VAL 8 2HG2 VAL 8 7.201 -9.481 -12.965 70 H SER 9 H SER 9 8.091 -7.764 -9.269 71 HA SER 9 HA SER 9 10.948 -7.978 -9.479 72 HB2 SER 9 1HB SER 9 11.528 -6.546 -7.531 73 HB3 SER 9 2HB SER 9 10.846 -5.596 -8.847 74 HG SER 9 HG SER 9 9.603 -4.944 -7.250 75 H SER 10 H SER 10 9.040 -7.437 -6.535 76 HA SER 10 HA SER 10 9.206 -10.340 -5.835 77 HB2 SER 10 1HB SER 10 9.875 -9.719 -3.570 78 HB3 SER 10 2HB SER 10 11.008 -8.991 -4.708 79 HG SER 10 HG SER 10 9.742 -7.738 -2.879 80 H SER 11 H SER 11 8.097 -9.137 -3.155 81 HA SER 11 HA SER 11 5.275 -8.668 -3.972 82 HB2 SER 11 1HB SER 11 4.496 -10.331 -2.356 83 HB3 SER 11 2HB SER 11 5.586 -11.107 -3.504 84 HG SER 11 HG SER 11 6.821 -11.576 -1.881 85 H LEU 12 H LEU 12 4.025 -7.634 -2.391 86 HA LEU 12 HA LEU 12 5.404 -6.599 0.015 87 HB2 LEU 12 1HB LEU 12 5.349 -5.014 -2.231 88 HB3 LEU 12 2HB LEU 12 3.815 -4.550 -1.526 89 HG LEU 12 HG LEU 12 5.536 -2.990 -0.795 90 HD11 LEU 12 1HD1 LEU 12 4.917 -4.785 1.569 91 HD12 LEU 12 2HD1 LEU 12 3.787 -3.630 0.875 92 HD13 LEU 12 3HD1 LEU 12 5.292 -3.068 1.605 93 HD21 LEU 12 3HD2 LEU 12 7.476 -4.758 -1.048 94 HD22 LEU 12 1HD2 LEU 12 7.148 -5.129 0.648 95 HD23 LEU 12 2HD2 LEU 12 7.609 -3.505 0.174 96 H ASN 13 H ASN 13 4.189 -6.692 1.749 97 HA ASN 13 HA ASN 13 1.339 -7.446 1.533 98 HB2 ASN 13 1HB ASN 13 1.634 -7.883 4.015 99 HB3 ASN 13 2HB ASN 13 2.702 -8.840 2.993 100 HD21 ASN 13 2HD2 ASN 13 4.763 -8.932 3.901 101 HD22 ASN 13 1HD2 ASN 13 5.535 -7.646 4.698 102 H VAL 14 H VAL 14 -0.318 -6.215 2.394 103 HA VAL 14 HA VAL 14 0.277 -3.378 3.031 104 HB VAL 14 HB VAL 14 -2.342 -4.785 2.341 105 HG11 VAL 14 1HG1 VAL 14 -1.716 -1.831 2.791 106 HG12 VAL 14 2HG1 VAL 14 -2.790 -2.822 3.774 107 HG13 VAL 14 3HG1 VAL 14 -3.232 -2.429 2.119 108 HG21 VAL 14 3HG2 VAL 14 -2.134 -3.543 0.194 109 HG22 VAL 14 1HG2 VAL 14 -0.751 -4.604 0.433 110 HG23 VAL 14 2HG2 VAL 14 -0.587 -2.880 0.725 111 H ARG 15 H ARG 15 0.147 -2.655 5.026 112 HA ARG 15 HA ARG 15 -0.846 -4.409 7.212 113 HB2 ARG 15 1HB ARG 15 0.883 -1.915 7.233 114 HB3 ARG 15 2HB ARG 15 0.463 -2.872 8.646 115 HG2 ARG 15 1HG ARG 15 1.587 -4.837 7.664 116 HG3 ARG 15 2HG ARG 15 1.995 -3.908 6.223 117 HD2 ARG 15 1HD ARG 15 3.304 -2.327 7.657 118 HD3 ARG 15 2HD ARG 15 2.975 -3.361 9.042 119 HE ARG 15 HE ARG 15 4.928 -3.808 6.989 120 HH11 ARG 15 1HH2 ARG 15 2.725 -5.449 9.124 121 HH12 ARG 15 2HH2 ARG 15 3.682 -6.890 9.210 122 HH21 ARG 15 1HH1 ARG 15 6.168 -5.682 7.112 123 HH22 ARG 15 2HH1 ARG 15 5.632 -7.021 8.072 124 H SER 16 H SER 16 -1.386 -2.582 9.130 125 HA SER 16 HA SER 16 -3.625 -0.893 8.105 126 HB2 SER 16 1HB SER 16 -5.034 -1.744 9.861 127 HB3 SER 16 2HB SER 16 -4.326 -3.157 9.090 128 HG SER 16 HG SER 16 -3.722 -1.953 11.565 129 H SER 17 H SER 17 -0.870 -0.137 8.890 130 HA SER 17 HA SER 17 -1.369 2.153 10.399 131 HB2 SER 17 1HB SER 17 -1.778 0.936 12.436 132 HB3 SER 17 2HB SER 17 -0.522 -0.235 12.071 133 HG SER 17 HG SER 17 0.504 1.027 13.440 134 H ALA 18 H ALA 18 0.842 2.881 11.543 135 HA ALA 18 HA ALA 18 2.965 2.616 9.472 136 HB1 ALA 18 3HB ALA 18 2.630 4.603 11.750 137 HB2 ALA 18 1HB ALA 18 2.212 4.890 10.058 138 HB3 ALA 18 2HB ALA 18 3.898 4.651 10.521 139 H SER 19 H SER 19 2.610 0.390 11.088 140 HA SER 19 HA SER 19 5.145 0.342 12.693 141 HB2 SER 19 1HB SER 19 3.212 0.360 14.212 142 HB3 SER 19 2HB SER 19 2.497 -0.993 13.345 143 HG SER 19 HG SER 19 3.964 -2.316 14.170 144 H THR 20 H THR 20 6.458 -1.360 12.323 145 HA THR 20 HA THR 20 6.017 -3.063 10.031 146 HB THR 20 HB THR 20 8.252 -3.960 10.585 147 HG1 THR 20 HG1 THR 20 8.803 -2.302 12.624 148 HG21 THR 20 3HG2 THR 20 8.105 -0.944 10.945 149 HG22 THR 20 1HG2 THR 20 8.117 -1.783 9.393 150 HG23 THR 20 2HG2 THR 20 9.531 -1.853 10.445 151 H SER 21 H SER 21 5.027 -3.236 13.240 152 HA SER 21 HA SER 21 5.069 -6.206 13.426 153 HB2 SER 21 1HB SER 21 4.370 -4.051 15.443 154 HB3 SER 21 2HB SER 21 4.381 -5.783 15.773 155 HG SER 21 HG SER 21 6.526 -5.809 15.628 156 H SER 22 H SER 22 3.069 -3.749 12.321 157 HA SER 22 HA SER 22 0.512 -4.586 13.305 158 HB2 SER 22 1HB SER 22 0.680 -2.379 12.386 159 HB3 SER 22 2HB SER 22 1.389 -2.980 10.897 160 HG SER 22 HG SER 22 -1.129 -2.535 11.355 161 H LYS 23 H LYS 23 -0.851 -6.147 12.628 162 HA LYS 23 HA LYS 23 0.006 -8.320 11.057 163 HB2 LYS 23 1HB LYS 23 -1.752 -8.358 12.835 164 HB3 LYS 23 2HB LYS 23 -2.854 -7.532 11.747 165 HG2 LYS 23 1HG LYS 23 -2.686 -9.422 10.146 166 HG3 LYS 23 2HG LYS 23 -1.575 -10.250 11.226 167 HD2 LYS 23 1HD LYS 23 -4.432 -9.489 12.005 168 HD3 LYS 23 2HD LYS 23 -4.001 -11.057 11.339 169 HE2 LYS 23 1HE LYS 23 -2.362 -11.323 13.296 170 HE3 LYS 23 2HE LYS 23 -3.129 -9.909 14.020 171 HZ1 LYS 23 3HZ LYS 23 -4.746 -11.202 14.737 172 HZ2 LYS 23 1HZ LYS 23 -4.024 -12.560 14.019 173 HZ3 LYS 23 2HZ LYS 23 -5.146 -11.631 13.142 174 H VAL 24 H VAL 24 -0.831 -9.085 9.009 175 HA VAL 24 HA VAL 24 -1.024 -6.952 7.004 176 HB VAL 24 HB VAL 24 0.464 -8.840 6.554 177 HG11 VAL 24 1HG1 VAL 24 -0.697 -10.571 7.887 178 HG12 VAL 24 2HG1 VAL 24 -0.391 -11.140 6.250 179 HG13 VAL 24 3HG1 VAL 24 -2.009 -10.611 6.710 180 HG21 VAL 24 3HG2 VAL 24 -0.779 -7.780 4.615 181 HG22 VAL 24 1HG2 VAL 24 -1.971 -9.080 4.711 182 HG23 VAL 24 2HG2 VAL 24 -0.296 -9.448 4.308 183 H ILE 25 H ILE 25 -2.750 -6.574 5.660 184 HA ILE 25 HA ILE 25 -5.355 -7.933 6.250 185 HB ILE 25 HB ILE 25 -6.466 -5.760 5.789 186 HG12 ILE 25 1HG1 ILE 25 -3.647 -4.577 5.785 187 HG13 ILE 25 2HG1 ILE 25 -4.633 -4.774 4.345 188 HG21 ILE 25 1HG2 ILE 25 -5.911 -4.683 7.931 189 HG22 ILE 25 2HG2 ILE 25 -4.359 -5.516 7.988 190 HG23 ILE 25 3HG2 ILE 25 -5.862 -6.430 8.141 191 HD11 ILE 25 3HD1 ILE 25 -6.366 -3.291 5.340 192 HD12 ILE 25 1HD1 ILE 25 -4.815 -2.479 5.146 193 HD13 ILE 25 2HD1 ILE 25 -5.318 -3.033 6.736 194 H GLY 26 H GLY 26 -2.991 -7.280 3.927 195 HA2 GLY 26 1HA GLY 26 -4.316 -8.660 1.863 196 HA3 GLY 26 2HA GLY 26 -4.510 -6.932 1.573 197 H SER 27 H SER 27 -3.265 -7.740 -0.397 198 HA SER 27 HA SER 27 -0.466 -6.940 -0.086 199 HB2 SER 27 1HB SER 27 0.442 -8.989 -1.078 200 HB3 SER 27 2HB SER 27 -0.438 -9.379 0.399 201 HG SER 27 HG SER 27 -1.488 -10.692 -0.859 202 H LEU 28 H LEU 28 0.496 -6.327 -2.058 203 HA LEU 28 HA LEU 28 -1.332 -6.095 -4.419 204 HB2 LEU 28 1HB LEU 28 -0.274 -3.962 -4.908 205 HB3 LEU 28 2HB LEU 28 -0.877 -3.948 -3.258 206 HG LEU 28 HG LEU 28 1.768 -4.846 -2.881 207 HD11 LEU 28 1HD1 LEU 28 2.360 -4.404 -5.260 208 HD12 LEU 28 2HD1 LEU 28 3.270 -3.360 -4.168 209 HD13 LEU 28 3HD1 LEU 28 1.891 -2.716 -5.061 210 HD21 LEU 28 3HD2 LEU 28 0.648 -3.089 -1.532 211 HD22 LEU 28 1HD2 LEU 28 0.842 -1.941 -2.859 212 HD23 LEU 28 2HD2 LEU 28 2.260 -2.573 -2.018 213 H SER 29 H SER 29 -0.131 -5.808 -6.473 214 HA SER 29 HA SER 29 2.190 -7.689 -6.663 215 HB2 SER 29 1HB SER 29 1.362 -8.148 -8.929 216 HB3 SER 29 2HB SER 29 0.075 -8.418 -7.753 217 HG SER 29 HG SER 29 -1.011 -6.882 -8.667 218 H GLY 30 H GLY 30 3.752 -7.219 -8.326 219 HA2 GLY 30 1HA GLY 30 4.432 -4.415 -8.480 220 HA3 GLY 30 2HA GLY 30 5.380 -5.751 -9.038 221 H ASN 31 H ASN 31 2.485 -3.874 -9.779 222 HA ASN 31 HA ASN 31 2.937 -3.150 -12.371 223 HB2 ASN 31 1HB ASN 31 3.121 -5.559 -13.056 224 HB3 ASN 31 2HB ASN 31 1.531 -5.871 -12.405 225 HD21 ASN 31 2HD2 ASN 31 3.143 -3.689 -14.797 226 HD22 ASN 31 1HD2 ASN 31 1.875 -3.763 -15.923 227 H THR 32 H THR 32 1.212 -2.921 -9.754 228 HA THR 32 HA THR 32 -1.443 -2.362 -10.990 229 HB THR 32 HB THR 32 -0.737 -2.769 -8.053 230 HG1 THR 32 HG1 THR 32 -1.602 -4.480 -10.101 231 HG21 THR 32 3HG2 THR 32 -2.791 -1.415 -8.398 232 HG22 THR 32 1HG2 THR 32 -3.198 -3.022 -7.797 233 HG23 THR 32 2HG2 THR 32 -3.412 -2.641 -9.502 234 H LYS 33 H LYS 33 -2.421 -0.369 -10.648 235 HA LYS 33 HA LYS 33 -0.651 1.884 -9.973 236 HB2 LYS 33 1HB LYS 33 -2.513 3.266 -10.870 237 HB3 LYS 33 2HB LYS 33 -1.993 2.037 -12.025 238 HG2 LYS 33 1HG LYS 33 -3.901 0.590 -11.336 239 HG3 LYS 33 2HG LYS 33 -4.443 1.837 -10.214 240 HD2 LYS 33 1HD LYS 33 -4.755 3.419 -12.086 241 HD3 LYS 33 2HD LYS 33 -4.179 2.202 -13.227 242 HE2 LYS 33 1HE LYS 33 -6.660 2.299 -13.196 243 HE3 LYS 33 2HE LYS 33 -6.080 0.731 -12.630 244 HZ1 LYS 33 3HZ LYS 33 -6.641 2.935 -10.746 245 HZ2 LYS 33 1HZ LYS 33 -6.537 1.273 -10.430 246 HZ3 LYS 33 2HZ LYS 33 -7.873 1.893 -11.277 247 H VAL 34 H VAL 34 -1.129 3.404 -8.363 248 HA VAL 34 HA VAL 34 -3.365 2.872 -6.485 249 HB VAL 34 HB VAL 34 -1.756 3.110 -4.520 250 HG11 VAL 34 1HG1 VAL 34 -1.027 0.755 -4.551 251 HG12 VAL 34 2HG1 VAL 34 -1.293 0.673 -6.290 252 HG13 VAL 34 3HG1 VAL 34 -2.660 0.896 -5.200 253 HG21 VAL 34 3HG2 VAL 34 0.190 4.074 -5.711 254 HG22 VAL 34 1HG2 VAL 34 0.346 2.609 -6.674 255 HG23 VAL 34 2HG2 VAL 34 0.648 2.566 -4.940 256 H THR 35 H THR 35 -4.361 4.692 -5.994 257 HA THR 35 HA THR 35 -3.277 7.283 -6.764 258 HB THR 35 HB THR 35 -5.616 6.734 -7.231 259 HG1 THR 35 HG1 THR 35 -4.865 8.783 -5.524 260 HG21 THR 35 3HG2 THR 35 -7.210 6.041 -5.648 261 HG22 THR 35 1HG2 THR 35 -6.427 6.904 -4.334 262 HG23 THR 35 2HG2 THR 35 -5.787 5.353 -4.874 263 H ILE 36 H ILE 36 -1.512 7.444 -5.319 264 HA ILE 36 HA ILE 36 -1.523 7.203 -2.552 265 HB ILE 36 HB ILE 36 -0.015 9.212 -4.281 266 HG12 ILE 36 1HG1 ILE 36 0.875 6.469 -3.256 267 HG13 ILE 36 2HG1 ILE 36 0.245 6.731 -4.876 268 HG21 ILE 36 1HG2 ILE 36 1.685 9.146 -2.368 269 HG22 ILE 36 2HG2 ILE 36 0.494 8.269 -1.415 270 HG23 ILE 36 3HG2 ILE 36 0.170 9.920 -1.936 271 HD11 ILE 36 3HD1 ILE 36 2.728 8.030 -3.724 272 HD12 ILE 36 1HD1 ILE 36 2.073 8.324 -5.337 273 HD13 ILE 36 2HD1 ILE 36 2.686 6.727 -4.909 274 H VAL 37 H VAL 37 -1.642 8.823 -0.871 275 HA VAL 37 HA VAL 37 -3.471 11.120 -1.454 276 HB VAL 37 HB VAL 37 -3.616 9.245 0.940 277 HG11 VAL 37 1HG1 VAL 37 -5.762 10.434 1.391 278 HG12 VAL 37 2HG1 VAL 37 -5.446 11.502 0.023 279 HG13 VAL 37 3HG1 VAL 37 -4.402 11.549 1.439 280 HG21 VAL 37 3HG2 VAL 37 -5.415 9.454 -1.514 281 HG22 VAL 37 1HG2 VAL 37 -5.729 8.436 -0.109 282 HG23 VAL 37 2HG2 VAL 37 -4.345 8.102 -1.141 283 H GLY 38 H GLY 38 -2.427 10.378 1.785 284 HA2 GLY 38 1HA GLY 38 -0.814 12.868 1.837 285 HA3 GLY 38 2HA GLY 38 -1.520 12.030 3.212 286 H GLU 39 H GLU 39 0.904 12.643 3.694 287 HA GLU 39 HA GLU 39 2.487 10.123 3.401 288 HB2 GLU 39 1HB GLU 39 3.536 12.965 3.106 289 HB3 GLU 39 2HB GLU 39 4.536 11.509 3.153 290 HG2 GLU 39 1HG GLU 39 3.357 10.656 1.122 291 HG3 GLU 39 2HG GLU 39 2.413 12.144 1.060 292 H GLU 40 H GLU 40 3.575 9.497 5.193 293 HA GLU 40 HA GLU 40 3.932 11.258 7.488 294 HB2 GLU 40 1HB GLU 40 2.618 9.804 9.019 295 HB3 GLU 40 2HB GLU 40 1.601 10.561 7.792 296 HG2 GLU 40 1HG GLU 40 1.733 8.429 6.439 297 HG3 GLU 40 2HG GLU 40 2.617 7.684 7.768 298 H GLY 41 H GLY 41 5.680 10.676 8.625 299 HA2 GLY 41 1HA GLY 41 7.664 9.579 9.115 300 HA3 GLY 41 2HA GLY 41 6.634 8.162 9.268 301 H ALA 42 H ALA 42 7.087 6.504 7.949 302 HA ALA 42 HA ALA 42 8.512 6.964 5.343 303 HB1 ALA 42 3HB ALA 42 10.030 5.915 6.990 304 HB2 ALA 42 1HB ALA 42 9.628 4.788 5.686 305 HB3 ALA 42 2HB ALA 42 8.853 4.636 7.272 306 H PHE 43 H PHE 43 5.569 6.654 6.084 307 HA PHE 43 HA PHE 43 4.948 4.575 4.078 308 HB2 PHE 43 1HB PHE 43 3.582 4.731 6.806 309 HB3 PHE 43 2HB PHE 43 3.278 3.550 5.531 310 HD1 PHE 43 HD2 PHE 43 4.947 1.746 5.041 311 HD2 PHE 43 HD1 PHE 43 5.634 4.603 8.198 312 HE1 PHE 43 HE2 PHE 43 6.770 0.324 5.946 313 HE2 PHE 43 HE1 PHE 43 7.452 3.173 9.091 314 HZ PHE 43 HZ PHE 43 8.020 1.037 7.967 315 H TYR 44 H TYR 44 2.861 4.816 3.164 316 HA TYR 44 HA TYR 44 1.448 7.407 3.657 317 HB2 TYR 44 1HB TYR 44 1.190 7.672 1.214 318 HB3 TYR 44 2HB TYR 44 2.885 7.686 1.685 319 HD1 TYR 44 HD1 TYR 44 4.247 5.492 1.504 320 HD2 TYR 44 HD2 TYR 44 0.415 6.003 -0.406 321 HE1 TYR 44 HE1 TYR 44 4.740 3.604 -0.026 322 HE2 TYR 44 HE2 TYR 44 0.930 4.116 -1.926 323 HH TYR 44 HH TYR 44 3.624 2.031 -1.422 324 H LYS 45 H LYS 45 -0.743 7.436 2.799 325 HA LYS 45 HA LYS 45 -2.132 4.912 3.383 326 HB2 LYS 45 1HB LYS 45 -3.157 7.727 2.852 327 HB3 LYS 45 2HB LYS 45 -4.171 6.354 3.307 328 HG2 LYS 45 1HG LYS 45 -2.897 6.128 5.435 329 HG3 LYS 45 2HG LYS 45 -1.912 7.522 4.987 330 HD2 LYS 45 1HD LYS 45 -3.948 8.951 4.952 331 HD3 LYS 45 2HD LYS 45 -4.932 7.557 5.396 332 HE2 LYS 45 1HE LYS 45 -3.670 7.344 7.526 333 HE3 LYS 45 2HE LYS 45 -2.694 8.745 7.083 334 HZ1 LYS 45 3HZ LYS 45 -4.948 8.874 8.510 335 HZ2 LYS 45 1HZ LYS 45 -5.559 9.147 6.951 336 HZ3 LYS 45 2HZ LYS 45 -4.344 10.158 7.575 337 H ILE 46 H ILE 46 -3.872 4.172 1.986 338 HA ILE 46 HA ILE 46 -3.758 4.937 -0.867 339 HB ILE 46 HB ILE 46 -3.506 2.536 -1.565 340 HG12 ILE 46 1HG1 ILE 46 -2.761 2.057 1.360 341 HG13 ILE 46 2HG1 ILE 46 -4.259 1.514 0.618 342 HG21 ILE 46 1HG2 ILE 46 -1.526 4.104 -1.499 343 HG22 ILE 46 2HG2 ILE 46 -1.078 2.416 -1.288 344 HG23 ILE 46 3HG2 ILE 46 -1.135 3.487 0.105 345 HD11 ILE 46 3HD1 ILE 46 -1.453 0.608 -0.102 346 HD12 ILE 46 1HD1 ILE 46 -2.894 0.180 -1.030 347 HD13 ILE 46 2HD1 ILE 46 -2.729 -0.350 0.643 348 H GLU 47 H GLU 47 -5.544 4.254 -2.076 349 HA GLU 47 HA GLU 47 -8.000 3.780 -0.477 350 HB2 GLU 47 1HB GLU 47 -7.612 4.609 -3.377 351 HB3 GLU 47 2HB GLU 47 -9.159 4.515 -2.540 352 HG2 GLU 47 1HG GLU 47 -6.857 6.342 -1.724 353 HG3 GLU 47 2HG GLU 47 -8.263 6.855 -2.646 354 H TYR 48 H TYR 48 -6.736 1.524 -0.362 355 HA TYR 48 HA TYR 48 -7.197 -0.239 -2.633 356 HB2 TYR 48 1HB TYR 48 -5.316 -0.559 -1.035 357 HB3 TYR 48 2HB TYR 48 -6.466 -0.895 0.254 358 HD1 TYR 48 HD2 TYR 48 -5.228 -2.090 -3.083 359 HD2 TYR 48 HD1 TYR 48 -7.501 -3.124 0.435 360 HE1 TYR 48 HE2 TYR 48 -5.330 -4.453 -3.828 361 HE2 TYR 48 HE1 TYR 48 -7.592 -5.482 -0.331 362 HH TYR 48 HH TYR 48 -6.614 -6.432 -3.501 363 H LYS 49 H LYS 49 -9.175 -0.992 -3.129 364 HA LYS 49 HA LYS 49 -11.428 -1.516 -2.939 365 HB2 LYS 49 1HB LYS 49 -10.436 -2.928 -0.438 366 HB3 LYS 49 2HB LYS 49 -11.889 -3.332 -1.347 367 HG2 LYS 49 1HG LYS 49 -9.068 -3.494 -2.514 368 HG3 LYS 49 2HG LYS 49 -9.896 -4.859 -1.781 369 HD2 LYS 49 1HD LYS 49 -11.725 -4.624 -3.482 370 HD3 LYS 49 2HD LYS 49 -10.811 -3.340 -4.265 371 HE2 LYS 49 1HE LYS 49 -9.795 -6.179 -3.880 372 HE3 LYS 49 2HE LYS 49 -10.436 -5.528 -5.387 373 HZ1 LYS 49 3HZ LYS 49 -8.674 -3.702 -5.007 374 HZ2 LYS 49 1HZ LYS 49 -8.190 -5.204 -5.629 375 HZ3 LYS 49 2HZ LYS 49 -7.939 -4.844 -3.987 376 H GLY 50 H GLY 50 -10.711 1.009 -1.734 377 HA2 GLY 50 1HA GLY 50 -11.781 2.691 -0.538 378 HA3 GLY 50 2HA GLY 50 -13.146 1.601 -0.324 379 H SER 51 H SER 51 -10.005 0.561 0.696 380 HA SER 51 HA SER 51 -10.700 0.898 3.589 381 HB2 SER 51 1HB SER 51 -10.694 -1.468 2.797 382 HB3 SER 51 2HB SER 51 -9.011 -1.289 2.321 383 HG SER 51 HG SER 51 -10.170 -1.159 4.892 384 H HIS 52 H HIS 52 -8.694 0.765 4.986 385 HA HIS 52 HA HIS 52 -6.703 2.737 3.999 386 HB2 HIS 52 1HB HIS 52 -7.325 1.687 6.793 387 HB3 HIS 52 2HB HIS 52 -6.155 2.954 6.416 388 HD1 HIS 52 HD1 HIS 52 -7.284 5.055 4.994 389 HD2 HIS 52 HD2 HIS 52 -9.852 2.695 7.280 390 HE1 HIS 52 HE1 HIS 52 -9.417 6.389 5.279 391 HE2 HIS 52 HE2 HIS 52 -10.994 4.964 6.670 392 H GLY 53 H GLY 53 -4.593 2.243 3.748 393 HA2 GLY 53 1HA GLY 53 -3.441 -0.274 4.805 394 HA3 GLY 53 2HA GLY 53 -3.460 -0.046 3.055 395 H TYR 54 H TYR 54 -1.106 -0.370 4.494 396 HA TYR 54 HA TYR 54 0.232 2.272 4.109 397 HB2 TYR 54 1HB TYR 54 0.673 0.337 6.403 398 HB3 TYR 54 2HB TYR 54 1.630 1.778 6.102 399 HD1 TYR 54 HD1 TYR 54 -1.795 0.541 6.971 400 HD2 TYR 54 HD2 TYR 54 0.764 4.004 6.704 401 HE1 TYR 54 HE1 TYR 54 -3.479 1.895 8.185 402 HE2 TYR 54 HE2 TYR 54 -0.932 5.336 7.926 403 HH TYR 54 HH TYR 54 -2.854 5.293 9.031 404 H VAL 55 H VAL 55 2.112 2.197 3.054 405 HA VAL 55 HA VAL 55 3.541 -0.372 2.638 406 HB VAL 55 HB VAL 55 2.646 1.399 0.320 407 HG11 VAL 55 1HG1 VAL 55 4.806 0.279 -0.121 408 HG12 VAL 55 2HG1 VAL 55 3.542 -0.468 -1.085 409 HG13 VAL 55 3HG1 VAL 55 4.116 -1.259 0.375 410 HG21 VAL 55 3HG2 VAL 55 1.243 -0.622 -0.320 411 HG22 VAL 55 1HG2 VAL 55 0.690 0.178 1.143 412 HG23 VAL 55 2HG2 VAL 55 1.616 -1.320 1.256 413 H ALA 56 H ALA 56 5.706 -0.128 2.044 414 HA ALA 56 HA ALA 56 6.961 2.321 2.991 415 HB1 ALA 56 3HB ALA 56 7.874 0.046 3.454 416 HB2 ALA 56 1HB ALA 56 9.048 1.103 2.672 417 HB3 ALA 56 2HB ALA 56 8.225 -0.152 1.739 418 H LYS 57 H LYS 57 7.112 4.054 1.681 419 HA LYS 57 HA LYS 57 6.970 3.892 -1.211 420 HB2 LYS 57 1HB LYS 57 7.468 6.406 -1.042 421 HB3 LYS 57 2HB LYS 57 6.013 5.863 -0.212 422 HG2 LYS 57 1HG LYS 57 7.156 5.862 1.954 423 HG3 LYS 57 2HG LYS 57 8.701 6.244 1.181 424 HD2 LYS 57 1HD LYS 57 7.790 8.415 0.415 425 HD3 LYS 57 2HD LYS 57 6.231 8.032 1.144 426 HE2 LYS 57 1HE LYS 57 7.565 9.513 2.622 427 HE3 LYS 57 2HE LYS 57 7.290 7.945 3.382 428 HZ1 LYS 57 3HZ LYS 57 9.454 7.318 3.090 429 HZ2 LYS 57 1HZ LYS 57 9.660 8.987 3.314 430 HZ3 LYS 57 2HZ LYS 57 9.700 8.330 1.747 431 H GLU 58 H GLU 58 9.529 4.051 1.168 432 HA GLU 58 HA GLU 58 11.655 5.011 -0.385 433 HB2 GLU 58 1HB GLU 58 11.725 4.573 2.066 434 HB3 GLU 58 2HB GLU 58 11.769 2.843 1.742 435 HG2 GLU 58 1HG GLU 58 13.920 3.117 0.528 436 HG3 GLU 58 2HG GLU 58 13.860 4.856 0.815 437 H TYR 59 H TYR 59 10.478 1.659 -0.068 438 HA TYR 59 HA TYR 59 12.403 0.461 -1.803 439 HB2 TYR 59 1HB TYR 59 9.619 -0.338 -0.893 440 HB3 TYR 59 2HB TYR 59 10.503 -1.344 -2.034 441 HD1 TYR 59 HD2 TYR 59 10.952 0.384 1.296 442 HD2 TYR 59 HD1 TYR 59 11.986 -3.038 -1.121 443 HE1 TYR 59 HE2 TYR 59 12.177 -0.614 3.205 444 HE2 TYR 59 HE1 TYR 59 13.209 -4.012 0.801 445 HH TYR 59 HH TYR 59 14.336 -3.140 2.896 446 H ILE 60 H ILE 60 9.317 2.080 -2.421 447 HA ILE 60 HA ILE 60 9.255 1.365 -5.256 448 HB ILE 60 HB ILE 60 7.591 3.391 -3.693 449 HG12 ILE 60 1HG1 ILE 60 6.896 0.508 -4.458 450 HG13 ILE 60 2HG1 ILE 60 7.413 0.991 -2.848 451 HG21 ILE 60 1HG2 ILE 60 5.984 3.152 -5.598 452 HG22 ILE 60 2HG2 ILE 60 7.123 2.083 -6.407 453 HG23 ILE 60 3HG2 ILE 60 7.529 3.775 -6.153 454 HD11 ILE 60 3HD1 ILE 60 4.902 1.904 -4.287 455 HD12 ILE 60 1HD1 ILE 60 5.457 2.570 -2.749 456 HD13 ILE 60 2HD1 ILE 60 4.995 0.872 -2.861 Start of MODEL 7 1 H1 MET 1 1H MET 1 -0.793 16.664 -10.110 2 H2 MET 1 2H MET 1 -2.439 16.602 -9.692 3 H3 MET 1 3H MET 1 -1.863 15.709 -11.018 4 HA MET 1 HA MET 1 -0.775 15.234 -8.323 5 HB2 MET 1 1HB MET 1 -2.525 13.405 -8.113 6 HB3 MET 1 2HB MET 1 -3.193 15.034 -8.021 7 HG2 MET 1 1HG MET 1 -3.865 14.917 -10.399 8 HG3 MET 1 2HG MET 1 -3.169 13.303 -10.530 9 HE1 MET 1 3HE MET 1 -6.919 12.537 -10.710 10 HE2 MET 1 1HE MET 1 -5.318 12.315 -11.427 11 HE3 MET 1 2HE MET 1 -6.052 13.914 -11.384 12 H LYS 2 H LYS 2 0.096 13.055 -8.240 13 HA LYS 2 HA LYS 2 0.649 11.767 -10.879 14 HB2 LYS 2 1HB LYS 2 2.687 12.443 -8.718 15 HB3 LYS 2 2HB LYS 2 3.011 11.448 -10.143 16 HG2 LYS 2 1HG LYS 2 2.420 13.370 -11.613 17 HG3 LYS 2 2HG LYS 2 2.129 14.366 -10.184 18 HD2 LYS 2 1HD LYS 2 4.500 14.056 -9.488 19 HD3 LYS 2 2HD LYS 2 4.790 13.074 -10.925 20 HE2 LYS 2 1HE LYS 2 4.213 15.010 -12.367 21 HE3 LYS 2 2HE LYS 2 3.916 15.993 -10.932 22 HZ1 LYS 2 3HZ LYS 2 6.420 14.834 -10.631 23 HZ2 LYS 2 1HZ LYS 2 6.053 16.469 -10.899 24 HZ3 LYS 2 2HZ LYS 2 6.353 15.441 -12.216 25 H THR 3 H THR 3 1.145 9.582 -10.780 26 HA THR 3 HA THR 3 0.393 8.153 -8.258 27 HB THR 3 HB THR 3 -0.679 6.452 -9.651 28 HG1 THR 3 HG1 THR 3 0.445 8.021 -11.681 29 HG21 THR 3 3HG2 THR 3 -2.577 7.774 -10.503 30 HG22 THR 3 1HG2 THR 3 -1.606 9.243 -10.450 31 HG23 THR 3 2HG2 THR 3 -2.048 8.420 -8.951 32 H GLY 4 H GLY 4 1.551 6.376 -7.729 33 HA2 GLY 4 1HA GLY 4 4.173 6.008 -9.042 34 HA3 GLY 4 2HA GLY 4 3.684 5.448 -7.444 35 H ILE 5 H ILE 5 4.894 3.953 -9.669 36 HA ILE 5 HA ILE 5 2.745 1.991 -10.359 37 HB ILE 5 HB ILE 5 5.594 2.134 -11.459 38 HG12 ILE 5 1HG1 ILE 5 4.025 3.035 -13.571 39 HG13 ILE 5 2HG1 ILE 5 3.112 3.733 -12.236 40 HG21 ILE 5 1HG2 ILE 5 3.077 0.726 -12.463 41 HG22 ILE 5 2HG2 ILE 5 4.489 -0.057 -11.755 42 HG23 ILE 5 3HG2 ILE 5 4.626 0.766 -13.304 43 HD11 ILE 5 3HD1 ILE 5 5.308 4.759 -11.439 44 HD12 ILE 5 1HD1 ILE 5 4.714 5.350 -12.991 45 HD13 ILE 5 2HD1 ILE 5 6.025 4.175 -12.941 46 H VAL 6 H VAL 6 2.635 0.172 -9.243 47 HA VAL 6 HA VAL 6 4.422 -0.491 -7.130 48 HB VAL 6 HB VAL 6 2.421 -2.328 -8.510 49 HG11 VAL 6 1HG1 VAL 6 2.309 -3.403 -6.253 50 HG12 VAL 6 2HG1 VAL 6 3.522 -2.276 -5.660 51 HG13 VAL 6 3HG1 VAL 6 3.945 -3.457 -6.895 52 HG21 VAL 6 3HG2 VAL 6 1.330 -0.177 -7.874 53 HG22 VAL 6 1HG2 VAL 6 1.913 -0.377 -6.221 54 HG23 VAL 6 2HG2 VAL 6 0.742 -1.517 -6.895 55 H ASN 7 H ASN 7 6.392 -1.384 -7.326 56 HA ASN 7 HA ASN 7 7.534 -2.321 -9.729 57 HB2 ASN 7 1HB ASN 7 9.354 -3.187 -8.246 58 HB3 ASN 7 2HB ASN 7 8.900 -1.527 -7.869 59 HD21 ASN 7 2HD2 ASN 7 10.085 -3.702 -6.105 60 HD22 ASN 7 1HD2 ASN 7 9.040 -3.784 -4.773 61 H VAL 8 H VAL 8 6.542 -3.959 -10.795 62 HA VAL 8 HA VAL 8 5.262 -6.198 -9.610 63 HB VAL 8 HB VAL 8 4.746 -5.376 -11.870 64 HG11 VAL 8 1HG1 VAL 8 7.492 -6.420 -12.690 65 HG12 VAL 8 2HG1 VAL 8 7.045 -4.719 -12.551 66 HG13 VAL 8 3HG1 VAL 8 6.270 -5.740 -13.762 67 HG21 VAL 8 3HG2 VAL 8 4.427 -7.879 -11.225 68 HG22 VAL 8 1HG2 VAL 8 5.864 -8.209 -12.201 69 HG23 VAL 8 2HG2 VAL 8 4.435 -7.508 -12.945 70 H SER 9 H SER 9 8.461 -5.428 -9.621 71 HA SER 9 HA SER 9 9.952 -7.612 -10.334 72 HB2 SER 9 1HB SER 9 10.279 -5.978 -7.799 73 HB3 SER 9 2HB SER 9 11.539 -6.949 -8.559 74 HG SER 9 HG SER 9 10.195 -4.673 -9.571 75 H SER 10 H SER 10 8.526 -7.156 -7.088 76 HA SER 10 HA SER 10 7.987 -10.051 -6.838 77 HB2 SER 10 1HB SER 10 9.704 -8.516 -4.853 78 HB3 SER 10 2HB SER 10 9.129 -10.173 -4.648 79 HG SER 10 HG SER 10 10.213 -10.222 -6.958 80 H SER 11 H SER 11 7.020 -10.374 -4.519 81 HA SER 11 HA SER 11 4.698 -8.584 -4.351 82 HB2 SER 11 1HB SER 11 4.367 -11.008 -4.169 83 HB3 SER 11 2HB SER 11 5.437 -11.074 -2.771 84 HG SER 11 HG SER 11 3.590 -10.748 -1.770 85 H LEU 12 H LEU 12 4.246 -7.202 -2.704 86 HA LEU 12 HA LEU 12 6.345 -6.723 -0.631 87 HB2 LEU 12 1HB LEU 12 4.601 -4.890 -2.285 88 HB3 LEU 12 2HB LEU 12 4.994 -4.349 -0.660 89 HG LEU 12 HG LEU 12 6.599 -3.482 -2.376 90 HD11 LEU 12 1HD1 LEU 12 8.358 -5.315 -0.721 91 HD12 LEU 12 2HD1 LEU 12 7.286 -4.217 0.156 92 HD13 LEU 12 3HD1 LEU 12 8.455 -3.576 -0.993 93 HD21 LEU 12 3HD2 LEU 12 7.645 -6.324 -2.711 94 HD22 LEU 12 1HD2 LEU 12 8.058 -4.893 -3.640 95 HD23 LEU 12 2HD2 LEU 12 6.468 -5.626 -3.832 96 H ASN 13 H ASN 13 5.818 -6.581 1.425 97 HA ASN 13 HA ASN 13 3.264 -7.710 2.244 98 HB2 ASN 13 1HB ASN 13 5.635 -6.699 3.879 99 HB3 ASN 13 2HB ASN 13 4.273 -7.617 4.497 100 HD21 ASN 13 2HD2 ASN 13 7.432 -8.003 3.431 101 HD22 ASN 13 1HD2 ASN 13 7.350 -9.638 2.981 102 H VAL 14 H VAL 14 1.560 -6.558 2.812 103 HA VAL 14 HA VAL 14 1.794 -3.621 3.178 104 HB VAL 14 HB VAL 14 -0.772 -5.215 2.776 105 HG11 VAL 14 1HG1 VAL 14 -0.931 -2.813 3.593 106 HG12 VAL 14 2HG1 VAL 14 -1.691 -3.074 2.026 107 HG13 VAL 14 3HG1 VAL 14 -0.111 -2.301 2.114 108 HG21 VAL 14 3HG2 VAL 14 -0.601 -4.796 0.383 109 HG22 VAL 14 1HG2 VAL 14 0.831 -5.670 0.887 110 HG23 VAL 14 2HG2 VAL 14 0.933 -3.943 0.582 111 H ARG 15 H ARG 15 1.593 -2.777 5.206 112 HA ARG 15 HA ARG 15 0.696 -4.500 7.444 113 HB2 ARG 15 1HB ARG 15 1.965 -1.741 7.410 114 HB3 ARG 15 2HB ARG 15 1.508 -2.608 8.879 115 HG2 ARG 15 1HG ARG 15 3.051 -4.486 8.197 116 HG3 ARG 15 2HG ARG 15 3.557 -3.529 6.807 117 HD2 ARG 15 1HD ARG 15 4.357 -1.739 8.356 118 HD3 ARG 15 2HD ARG 15 3.902 -2.746 9.742 119 HE ARG 15 HE ARG 15 5.582 -4.275 8.076 120 HH11 ARG 15 1HH2 ARG 15 5.731 -1.409 10.057 121 HH12 ARG 15 2HH2 ARG 15 7.408 -1.614 10.445 122 HH21 ARG 15 1HH1 ARG 15 7.777 -4.517 8.604 123 HH22 ARG 15 2HH1 ARG 15 8.553 -3.357 9.629 124 H SER 16 H SER 16 -0.482 -3.083 9.207 125 HA SER 16 HA SER 16 -3.034 -2.174 7.986 126 HB2 SER 16 1HB SER 16 -2.219 -3.263 10.660 127 HB3 SER 16 2HB SER 16 -3.572 -2.136 10.654 128 HG SER 16 HG SER 16 -3.925 -4.516 10.274 129 H SER 17 H SER 17 -0.217 -0.918 9.570 130 HA SER 17 HA SER 17 -0.857 1.785 9.039 131 HB2 SER 17 1HB SER 17 -1.139 2.560 11.436 132 HB3 SER 17 2HB SER 17 -2.495 1.608 10.865 133 HG SER 17 HG SER 17 -1.611 1.017 12.970 134 H ALA 18 H ALA 18 0.591 3.215 10.589 135 HA ALA 18 HA ALA 18 3.324 2.222 10.260 136 HB1 ALA 18 3HB ALA 18 2.260 4.855 11.362 137 HB2 ALA 18 1HB ALA 18 2.746 4.561 9.692 138 HB3 ALA 18 2HB ALA 18 3.950 4.509 10.981 139 H SER 19 H SER 19 3.188 0.467 11.811 140 HA SER 19 HA SER 19 4.165 1.202 14.418 141 HB2 SER 19 1HB SER 19 2.316 0.102 15.703 142 HB3 SER 19 2HB SER 19 1.770 1.549 14.856 143 HG SER 19 HG SER 19 0.874 -0.933 14.633 144 H THR 20 H THR 20 4.915 -0.597 15.599 145 HA THR 20 HA THR 20 5.805 -2.803 13.952 146 HB THR 20 HB THR 20 6.076 -2.438 16.982 147 HG1 THR 20 HG1 THR 20 7.816 -1.659 14.887 148 HG21 THR 20 3HG2 THR 20 7.718 -4.029 14.958 149 HG22 THR 20 1HG2 THR 20 6.654 -4.722 16.186 150 HG23 THR 20 2HG2 THR 20 8.101 -3.844 16.667 151 H SER 21 H SER 21 3.185 -2.244 16.184 152 HA SER 21 HA SER 21 2.641 -4.916 16.960 153 HB2 SER 21 1HB SER 21 0.397 -4.084 17.527 154 HB3 SER 21 2HB SER 21 1.607 -2.893 17.998 155 HG SER 21 HG SER 21 1.159 -1.790 16.054 156 H SER 22 H SER 22 2.094 -3.200 13.992 157 HA SER 22 HA SER 22 0.296 -5.291 12.897 158 HB2 SER 22 1HB SER 22 -0.352 -3.011 12.388 159 HB3 SER 22 2HB SER 22 1.278 -2.620 11.844 160 HG SER 22 HG SER 22 0.947 -4.345 10.259 161 H LYS 23 H LYS 23 0.929 -6.675 11.298 162 HA LYS 23 HA LYS 23 3.376 -6.345 9.813 163 HB2 LYS 23 1HB LYS 23 3.848 -7.424 12.298 164 HB3 LYS 23 2HB LYS 23 3.485 -8.909 11.432 165 HG2 LYS 23 1HG LYS 23 5.249 -8.367 9.768 166 HG3 LYS 23 2HG LYS 23 5.589 -6.857 10.607 167 HD2 LYS 23 1HD LYS 23 6.219 -8.142 12.648 168 HD3 LYS 23 2HD LYS 23 5.930 -9.650 11.772 169 HE2 LYS 23 1HE LYS 23 7.985 -7.516 11.044 170 HE3 LYS 23 2HE LYS 23 8.337 -9.109 11.717 171 HZ1 LYS 23 3HZ LYS 23 8.496 -9.740 9.590 172 HZ2 LYS 23 1HZ LYS 23 7.715 -8.351 9.013 173 HZ3 LYS 23 2HZ LYS 23 6.799 -9.675 9.554 174 H VAL 24 H VAL 24 2.642 -6.849 7.905 175 HA VAL 24 HA VAL 24 1.716 -7.924 6.162 176 HB VAL 24 HB VAL 24 1.763 -10.410 7.894 177 HG11 VAL 24 1HG1 VAL 24 1.988 -11.599 5.722 178 HG12 VAL 24 2HG1 VAL 24 1.908 -10.054 4.875 179 HG13 VAL 24 3HG1 VAL 24 0.504 -10.649 5.765 180 HG21 VAL 24 3HG2 VAL 24 4.000 -9.349 7.915 181 HG22 VAL 24 1HG2 VAL 24 4.002 -9.323 6.161 182 HG23 VAL 24 2HG2 VAL 24 4.022 -10.857 7.011 183 H ILE 25 H ILE 25 -0.314 -8.130 5.363 184 HA ILE 25 HA ILE 25 -2.569 -8.984 7.046 185 HB ILE 25 HB ILE 25 -3.853 -6.949 6.851 186 HG12 ILE 25 1HG1 ILE 25 -2.108 -4.864 5.825 187 HG13 ILE 25 2HG1 ILE 25 -1.945 -6.180 4.681 188 HG21 ILE 25 1HG2 ILE 25 -2.565 -5.378 8.212 189 HG22 ILE 25 2HG2 ILE 25 -1.073 -6.153 7.774 190 HG23 ILE 25 3HG2 ILE 25 -2.260 -7.023 8.744 191 HD11 ILE 25 3HD1 ILE 25 -4.516 -4.863 5.537 192 HD12 ILE 25 1HD1 ILE 25 -4.416 -6.263 4.464 193 HD13 ILE 25 2HD1 ILE 25 -3.712 -4.718 3.976 194 H GLY 26 H GLY 26 -1.065 -8.379 4.030 195 HA2 GLY 26 1HA GLY 26 -2.508 -10.060 2.464 196 HA3 GLY 26 2HA GLY 26 -3.410 -8.545 2.361 197 H SER 27 H SER 27 -2.789 -8.805 0.081 198 HA SER 27 HA SER 27 -0.309 -7.264 -0.470 199 HB2 SER 27 1HB SER 27 0.398 -8.807 -2.219 200 HB3 SER 27 2HB SER 27 0.241 -9.693 -0.700 201 HG SER 27 HG SER 27 -1.529 -9.609 -2.905 202 H LEU 28 H LEU 28 -0.537 -5.861 -2.174 203 HA LEU 28 HA LEU 28 -3.208 -5.735 -3.518 204 HB2 LEU 28 1HB LEU 28 -2.628 -3.394 -4.003 205 HB3 LEU 28 2HB LEU 28 -2.505 -3.723 -2.286 206 HG LEU 28 HG LEU 28 0.154 -4.204 -3.166 207 HD11 LEU 28 1HD1 LEU 28 -0.442 -3.231 -5.418 208 HD12 LEU 28 2HD1 LEU 28 0.816 -2.340 -4.572 209 HD13 LEU 28 3HD1 LEU 28 -0.829 -1.711 -4.619 210 HD21 LEU 28 3HD2 LEU 28 -0.926 -1.537 -2.136 211 HD22 LEU 28 1HD2 LEU 28 0.742 -2.101 -2.031 212 HD23 LEU 28 2HD2 LEU 28 -0.524 -2.907 -1.121 213 H SER 29 H SER 29 -3.342 -6.418 -5.533 214 HA SER 29 HA SER 29 -1.446 -7.621 -7.092 215 HB2 SER 29 1HB SER 29 -3.776 -5.954 -8.112 216 HB3 SER 29 2HB SER 29 -2.923 -7.189 -9.038 217 HG SER 29 HG SER 29 -4.968 -7.641 -7.663 218 H GLY 30 H GLY 30 0.239 -7.024 -8.350 219 HA2 GLY 30 1HA GLY 30 1.294 -4.391 -8.249 220 HA3 GLY 30 2HA GLY 30 1.907 -5.729 -9.201 221 H ASN 31 H ASN 31 1.937 -3.168 -10.209 222 HA ASN 31 HA ASN 31 1.482 -2.003 -12.098 223 HB2 ASN 31 1HB ASN 31 -0.194 -4.369 -13.071 224 HB3 ASN 31 2HB ASN 31 0.635 -3.156 -14.039 225 HD21 ASN 31 2HD2 ASN 31 1.010 -6.182 -12.360 226 HD22 ASN 31 1HD2 ASN 31 2.651 -6.412 -12.729 227 H THR 32 H THR 32 -0.380 -2.165 -9.716 228 HA THR 32 HA THR 32 -2.960 -1.305 -10.910 229 HB THR 32 HB THR 32 -2.193 -1.783 -7.997 230 HG1 THR 32 HG1 THR 32 -3.835 -3.365 -9.659 231 HG21 THR 32 3HG2 THR 32 -4.897 -1.316 -9.345 232 HG22 THR 32 1HG2 THR 32 -4.114 -0.231 -8.190 233 HG23 THR 32 2HG2 THR 32 -4.675 -1.813 -7.671 234 H LYS 33 H LYS 33 -3.780 0.739 -10.595 235 HA LYS 33 HA LYS 33 -1.832 2.872 -10.049 236 HB2 LYS 33 1HB LYS 33 -4.749 2.970 -10.925 237 HB3 LYS 33 2HB LYS 33 -3.671 4.369 -10.802 238 HG2 LYS 33 1HG LYS 33 -2.149 3.348 -12.479 239 HG3 LYS 33 2HG LYS 33 -3.225 1.952 -12.607 240 HD2 LYS 33 1HD LYS 33 -5.060 3.436 -13.396 241 HD3 LYS 33 2HD LYS 33 -3.984 4.831 -13.276 242 HE2 LYS 33 1HE LYS 33 -2.466 3.806 -14.951 243 HE3 LYS 33 2HE LYS 33 -3.539 2.410 -15.069 244 HZ1 LYS 33 3HZ LYS 33 -4.656 3.516 -16.592 245 HZ2 LYS 33 1HZ LYS 33 -3.733 4.918 -16.346 246 HZ3 LYS 33 2HZ LYS 33 -5.124 4.645 -15.409 247 H VAL 34 H VAL 34 -1.861 4.218 -8.328 248 HA VAL 34 HA VAL 34 -4.059 4.113 -6.337 249 HB VAL 34 HB VAL 34 -2.277 3.940 -4.491 250 HG11 VAL 34 1HG1 VAL 34 -2.578 1.504 -6.304 251 HG12 VAL 34 2HG1 VAL 34 -3.744 2.025 -5.090 252 HG13 VAL 34 3HG1 VAL 34 -2.146 1.478 -4.596 253 HG21 VAL 34 3HG2 VAL 34 -0.527 2.971 -6.811 254 HG22 VAL 34 1HG2 VAL 34 -0.113 2.866 -5.101 255 HG23 VAL 34 2HG2 VAL 34 -0.261 4.434 -5.869 256 H THR 35 H THR 35 -4.620 6.089 -5.805 257 HA THR 35 HA THR 35 -2.912 8.397 -6.459 258 HB THR 35 HB THR 35 -4.918 9.716 -5.935 259 HG1 THR 35 HG1 THR 35 -6.331 7.343 -5.455 260 HG21 THR 35 3HG2 THR 35 -4.741 8.666 -8.188 261 HG22 THR 35 1HG2 THR 35 -6.421 8.789 -7.661 262 HG23 THR 35 2HG2 THR 35 -5.590 7.240 -7.580 263 H ILE 36 H ILE 36 -1.295 8.226 -4.890 264 HA ILE 36 HA ILE 36 -1.327 7.722 -2.222 265 HB ILE 36 HB ILE 36 0.026 10.216 -3.357 266 HG12 ILE 36 1HG1 ILE 36 1.991 8.187 -3.377 267 HG13 ILE 36 2HG1 ILE 36 0.575 7.277 -3.883 268 HG21 ILE 36 1HG2 ILE 36 0.196 10.115 -0.909 269 HG22 ILE 36 2HG2 ILE 36 1.760 9.696 -1.599 270 HG23 ILE 36 3HG2 ILE 36 0.714 8.428 -0.974 271 HD11 ILE 36 3HD1 ILE 36 1.715 8.107 -5.826 272 HD12 ILE 36 1HD1 ILE 36 1.757 9.745 -5.182 273 HD13 ILE 36 2HD1 ILE 36 0.221 9.033 -5.678 274 H VAL 37 H VAL 37 -1.799 8.797 -0.251 275 HA VAL 37 HA VAL 37 -3.347 11.338 -0.356 276 HB VAL 37 HB VAL 37 -4.397 8.917 1.207 277 HG11 VAL 37 1HG1 VAL 37 -5.742 11.487 0.250 278 HG12 VAL 37 2HG1 VAL 37 -5.189 11.176 1.893 279 HG13 VAL 37 3HG1 VAL 37 -6.498 10.219 1.213 280 HG21 VAL 37 3HG2 VAL 37 -5.138 9.722 -1.644 281 HG22 VAL 37 1HG2 VAL 37 -6.085 8.616 -0.639 282 HG23 VAL 37 2HG2 VAL 37 -4.446 8.188 -1.104 283 H GLY 38 H GLY 38 -0.962 11.596 0.483 284 HA2 GLY 38 1HA GLY 38 -0.222 12.804 2.426 285 HA3 GLY 38 2HA GLY 38 -1.082 11.675 3.465 286 H GLU 39 H GLU 39 1.600 12.294 3.828 287 HA GLU 39 HA GLU 39 2.891 9.637 3.338 288 HB2 GLU 39 1HB GLU 39 4.216 12.364 2.978 289 HB3 GLU 39 2HB GLU 39 5.052 10.804 2.928 290 HG2 GLU 39 1HG GLU 39 3.637 10.107 1.006 291 HG3 GLU 39 2HG GLU 39 2.824 11.670 1.038 292 H GLU 40 H GLU 40 4.041 8.846 5.003 293 HA GLU 40 HA GLU 40 4.691 10.520 7.335 294 HB2 GLU 40 1HB GLU 40 2.268 9.519 7.489 295 HB3 GLU 40 2HB GLU 40 3.048 7.964 7.763 296 HG2 GLU 40 1HG GLU 40 3.461 10.483 9.455 297 HG3 GLU 40 2HG GLU 40 2.468 9.098 9.905 298 H GLY 41 H GLY 41 6.685 10.018 7.916 299 HA2 GLY 41 1HA GLY 41 8.691 8.905 8.124 300 HA3 GLY 41 2HA GLY 41 7.694 7.545 8.637 301 H ALA 42 H ALA 42 7.865 5.740 7.410 302 HA ALA 42 HA ALA 42 8.863 5.910 4.589 303 HB1 ALA 42 3HB ALA 42 10.417 4.780 6.153 304 HB2 ALA 42 1HB ALA 42 9.770 3.650 4.962 305 HB3 ALA 42 2HB ALA 42 9.142 3.653 6.612 306 H PHE 43 H PHE 43 6.035 6.074 5.617 307 HA PHE 43 HA PHE 43 4.912 4.023 3.813 308 HB2 PHE 43 1HB PHE 43 3.942 4.396 6.687 309 HB3 PHE 43 2HB PHE 43 3.253 3.305 5.480 310 HD1 PHE 43 HD1 PHE 43 4.476 1.244 4.778 311 HD2 PHE 43 HD2 PHE 43 6.153 3.907 7.729 312 HE1 PHE 43 HE1 PHE 43 6.138 -0.484 5.404 313 HE2 PHE 43 HE2 PHE 43 7.798 2.164 8.354 314 HZ PHE 43 HZ PHE 43 7.793 -0.030 7.195 315 H TYR 44 H TYR 44 2.779 4.485 3.145 316 HA TYR 44 HA TYR 44 1.671 7.178 3.723 317 HB2 TYR 44 1HB TYR 44 1.387 7.571 1.283 318 HB3 TYR 44 2HB TYR 44 3.086 7.481 1.742 319 HD1 TYR 44 HD1 TYR 44 4.314 5.180 1.496 320 HD2 TYR 44 HD2 TYR 44 0.551 6.049 -0.445 321 HE1 TYR 44 HE1 TYR 44 4.688 3.344 -0.115 322 HE2 TYR 44 HE2 TYR 44 0.984 4.231 -2.062 323 HH TYR 44 HH TYR 44 2.446 1.990 -1.953 324 H LYS 45 H LYS 45 -0.462 7.400 2.564 325 HA LYS 45 HA LYS 45 -2.076 4.951 3.099 326 HB2 LYS 45 1HB LYS 45 -2.856 7.901 2.868 327 HB3 LYS 45 2HB LYS 45 -3.973 6.565 3.193 328 HG2 LYS 45 1HG LYS 45 -2.736 6.023 5.283 329 HG3 LYS 45 2HG LYS 45 -1.591 7.313 4.942 330 HD2 LYS 45 1HD LYS 45 -3.166 8.175 6.579 331 HD3 LYS 45 2HD LYS 45 -3.506 8.985 5.049 332 HE2 LYS 45 1HE LYS 45 -5.574 8.164 6.349 333 HE3 LYS 45 2HE LYS 45 -5.497 7.617 4.682 334 HZ1 LYS 45 3HZ LYS 45 -6.046 5.866 6.373 335 HZ2 LYS 45 1HZ LYS 45 -4.455 6.005 6.947 336 HZ3 LYS 45 2HZ LYS 45 -4.739 5.496 5.352 337 H ILE 46 H ILE 46 -3.679 4.312 1.648 338 HA ILE 46 HA ILE 46 -3.679 5.436 -1.093 339 HB ILE 46 HB ILE 46 -3.519 3.132 -2.037 340 HG12 ILE 46 1HG1 ILE 46 -2.781 2.275 0.802 341 HG13 ILE 46 2HG1 ILE 46 -4.305 1.887 0.032 342 HG21 ILE 46 1HG2 ILE 46 -1.090 2.873 -1.753 343 HG22 ILE 46 2HG2 ILE 46 -1.125 3.833 -0.280 344 HG23 ILE 46 3HG2 ILE 46 -1.484 4.586 -1.834 345 HD11 ILE 46 3HD1 ILE 46 -1.562 0.981 -0.886 346 HD12 ILE 46 1HD1 ILE 46 -3.057 0.681 -1.772 347 HD13 ILE 46 2HD1 ILE 46 -2.816 -0.022 -0.172 348 H GLU 47 H GLU 47 -5.520 4.974 -2.290 349 HA GLU 47 HA GLU 47 -7.891 4.062 -0.701 350 HB2 GLU 47 1HB GLU 47 -7.725 6.521 -1.482 351 HB3 GLU 47 2HB GLU 47 -7.981 5.940 -3.123 352 HG2 GLU 47 1HG GLU 47 -9.889 5.442 -0.770 353 HG3 GLU 47 2HG GLU 47 -10.118 6.669 -2.016 354 H TYR 48 H TYR 48 -7.560 1.885 -1.270 355 HA TYR 48 HA TYR 48 -8.554 1.213 -3.979 356 HB2 TYR 48 1HB TYR 48 -5.954 1.048 -3.730 357 HB3 TYR 48 2HB TYR 48 -6.257 -0.335 -2.685 358 HD1 TYR 48 HD2 TYR 48 -7.102 1.062 -6.089 359 HD2 TYR 48 HD1 TYR 48 -6.720 -2.512 -3.702 360 HE1 TYR 48 HE2 TYR 48 -7.497 -0.340 -8.097 361 HE2 TYR 48 HE1 TYR 48 -7.128 -3.890 -5.721 362 HH TYR 48 HH TYR 48 -7.747 -2.391 -8.880 363 H LYS 49 H LYS 49 -9.472 -0.907 -4.113 364 HA LYS 49 HA LYS 49 -11.032 -2.430 -3.377 365 HB2 LYS 49 1HB LYS 49 -8.630 -2.739 -1.583 366 HB3 LYS 49 2HB LYS 49 -10.060 -3.598 -1.057 367 HG2 LYS 49 1HG LYS 49 -10.191 -4.741 -3.261 368 HG3 LYS 49 2HG LYS 49 -8.739 -3.888 -3.789 369 HD2 LYS 49 1HD LYS 49 -8.670 -5.603 -1.249 370 HD3 LYS 49 2HD LYS 49 -8.464 -6.349 -2.827 371 HE2 LYS 49 1HE LYS 49 -6.508 -4.932 -3.283 372 HE3 LYS 49 2HE LYS 49 -6.718 -4.094 -1.755 373 HZ1 LYS 49 3HZ LYS 49 -6.178 -6.971 -2.092 374 HZ2 LYS 49 1HZ LYS 49 -6.416 -6.184 -0.609 375 HZ3 LYS 49 2HZ LYS 49 -5.071 -5.792 -1.573 376 H GLY 50 H GLY 50 -11.162 0.414 -2.334 377 HA2 GLY 50 1HA GLY 50 -12.671 1.597 -1.109 378 HA3 GLY 50 2HA GLY 50 -13.449 0.087 -0.649 379 H SER 51 H SER 51 -10.310 -0.375 0.062 380 HA SER 51 HA SER 51 -10.498 0.589 2.869 381 HB2 SER 51 1HB SER 51 -10.702 -1.849 2.713 382 HB3 SER 51 2HB SER 51 -9.224 -1.933 1.757 383 HG SER 51 HG SER 51 -9.051 -2.270 4.116 384 H HIS 52 H HIS 52 -8.268 0.569 3.889 385 HA HIS 52 HA HIS 52 -6.351 2.009 2.099 386 HB2 HIS 52 1HB HIS 52 -5.602 3.149 4.192 387 HB3 HIS 52 2HB HIS 52 -7.296 3.469 3.822 388 HD1 HIS 52 HD1 HIS 52 -5.184 2.433 6.519 389 HD2 HIS 52 HD2 HIS 52 -9.073 1.524 5.344 390 HE1 HIS 52 HE1 HIS 52 -6.322 1.427 8.546 391 HE2 HIS 52 HE2 HIS 52 -8.699 0.872 7.846 392 H GLY 53 H GLY 53 -4.146 1.656 2.402 393 HA2 GLY 53 1HA GLY 53 -3.271 -0.656 4.034 394 HA3 GLY 53 2HA GLY 53 -3.009 -0.696 2.288 395 H TYR 54 H TYR 54 -0.907 -0.835 4.052 396 HA TYR 54 HA TYR 54 0.535 1.757 3.593 397 HB2 TYR 54 1HB TYR 54 0.700 -0.053 6.048 398 HB3 TYR 54 2HB TYR 54 1.711 1.366 5.754 399 HD1 TYR 54 HD2 TYR 54 -1.828 0.231 6.289 400 HD2 TYR 54 HD1 TYR 54 0.829 3.632 6.137 401 HE1 TYR 54 HE2 TYR 54 -3.618 1.693 7.179 402 HE2 TYR 54 HE1 TYR 54 -0.980 5.073 7.017 403 HH TYR 54 HH TYR 54 -3.030 5.124 7.890 404 H VAL 55 H VAL 55 2.549 1.575 2.795 405 HA VAL 55 HA VAL 55 4.066 -0.912 2.887 406 HB VAL 55 HB VAL 55 2.574 -1.501 1.048 407 HG11 VAL 55 1HG1 VAL 55 3.405 1.120 -0.240 408 HG12 VAL 55 2HG1 VAL 55 1.818 0.776 0.442 409 HG13 VAL 55 3HG1 VAL 55 2.372 -0.099 -0.986 410 HG21 VAL 55 3HG2 VAL 55 5.224 -0.622 -0.223 411 HG22 VAL 55 1HG2 VAL 55 4.175 -1.943 -0.737 412 HG23 VAL 55 2HG2 VAL 55 5.046 -2.055 0.792 413 H ALA 56 H ALA 56 6.192 -0.702 1.969 414 HA ALA 56 HA ALA 56 7.437 1.717 2.654 415 HB1 ALA 56 3HB ALA 56 8.620 -0.464 2.579 416 HB2 ALA 56 1HB ALA 56 9.460 0.766 1.642 417 HB3 ALA 56 2HB ALA 56 8.504 -0.469 0.820 418 H LYS 57 H LYS 57 7.906 3.536 1.526 419 HA LYS 57 HA LYS 57 6.804 3.870 -1.201 420 HB2 LYS 57 1HB LYS 57 7.725 6.365 -0.521 421 HB3 LYS 57 2HB LYS 57 6.130 5.798 -0.069 422 HG2 LYS 57 1HG LYS 57 6.893 5.115 2.147 423 HG3 LYS 57 2HG LYS 57 8.575 5.452 1.734 424 HD2 LYS 57 1HD LYS 57 6.511 7.703 1.568 425 HD3 LYS 57 2HD LYS 57 7.182 7.259 3.136 426 HE2 LYS 57 1HE LYS 57 9.448 7.736 2.369 427 HE3 LYS 57 2HE LYS 57 8.891 8.021 0.728 428 HZ1 LYS 57 3HZ LYS 57 7.352 9.705 2.049 429 HZ2 LYS 57 1HZ LYS 57 8.869 10.116 1.413 430 HZ3 LYS 57 2HZ LYS 57 8.722 9.710 3.056 431 H GLU 58 H GLU 58 9.880 3.921 0.517 432 HA GLU 58 HA GLU 58 11.505 5.021 -1.481 433 HB2 GLU 58 1HB GLU 58 13.359 3.748 -0.337 434 HB3 GLU 58 2HB GLU 58 12.344 4.659 0.783 435 HG2 GLU 58 1HG GLU 58 11.060 2.595 1.299 436 HG3 GLU 58 2HG GLU 58 12.082 1.674 0.198 437 H TYR 59 H TYR 59 10.073 1.860 -1.193 438 HA TYR 59 HA TYR 59 11.727 0.459 -3.033 439 HB2 TYR 59 1HB TYR 59 9.104 -0.006 -1.660 440 HB3 TYR 59 2HB TYR 59 9.190 -0.787 -3.230 441 HD1 TYR 59 HD1 TYR 59 10.892 -0.529 0.105 442 HD2 TYR 59 HD2 TYR 59 10.599 -2.773 -3.566 443 HE1 TYR 59 HE1 TYR 59 12.295 -2.322 1.078 444 HE2 TYR 59 HE2 TYR 59 11.993 -4.560 -2.572 445 HH TYR 59 HH TYR 59 12.452 -5.331 -0.030 446 H ILE 60 H ILE 60 8.836 2.458 -3.470 447 HA ILE 60 HA ILE 60 8.660 1.913 -6.332 448 HB ILE 60 HB ILE 60 7.245 4.024 -4.626 449 HG12 ILE 60 1HG1 ILE 60 6.271 1.256 -5.508 450 HG13 ILE 60 2HG1 ILE 60 6.840 1.620 -3.885 451 HG21 ILE 60 1HG2 ILE 60 7.192 4.527 -7.074 452 HG22 ILE 60 2HG2 ILE 60 5.604 4.044 -6.519 453 HG23 ILE 60 3HG2 ILE 60 6.606 2.898 -7.402 454 HD11 ILE 60 3HD1 ILE 60 4.442 2.878 -5.248 455 HD12 ILE 60 1HD1 ILE 60 5.049 3.334 -3.653 456 HD13 ILE 60 2HD1 ILE 60 4.415 1.710 -3.937 Start of MODEL 8 1 H1 MET 1 1H MET 1 -4.105 11.013 -8.805 2 H2 MET 1 2H MET 1 -4.998 11.418 -10.193 3 H3 MET 1 3H MET 1 -4.829 12.542 -8.931 4 HA MET 1 HA MET 1 -3.018 11.885 -11.083 5 HB2 MET 1 1HB MET 1 -3.322 14.269 -9.209 6 HB3 MET 1 2HB MET 1 -2.310 14.237 -10.655 7 HG2 MET 1 1HG MET 1 -5.327 13.808 -10.692 8 HG3 MET 1 2HG MET 1 -4.541 15.349 -11.027 9 HE1 MET 1 3HE MET 1 -6.543 14.104 -12.883 10 HE2 MET 1 1HE MET 1 -5.814 14.165 -14.493 11 HE3 MET 1 2HE MET 1 -5.670 15.541 -13.404 12 H LYS 2 H LYS 2 -0.703 12.134 -10.841 13 HA LYS 2 HA LYS 2 1.289 11.430 -9.956 14 HB2 LYS 2 1HB LYS 2 0.133 12.680 -7.436 15 HB3 LYS 2 2HB LYS 2 1.829 12.303 -7.707 16 HG2 LYS 2 1HG LYS 2 1.782 13.844 -9.735 17 HG3 LYS 2 2HG LYS 2 0.139 14.283 -9.286 18 HD2 LYS 2 1HD LYS 2 1.258 16.029 -8.170 19 HD3 LYS 2 2HD LYS 2 1.336 14.829 -6.884 20 HE2 LYS 2 1HE LYS 2 3.519 15.421 -8.932 21 HE3 LYS 2 2HE LYS 2 3.553 15.847 -7.223 22 HZ1 LYS 2 3HZ LYS 2 4.830 13.865 -7.628 23 HZ2 LYS 2 1HZ LYS 2 3.501 13.108 -8.360 24 HZ3 LYS 2 2HZ LYS 2 3.461 13.472 -6.701 25 H THR 3 H THR 3 1.243 9.220 -10.039 26 HA THR 3 HA THR 3 0.355 7.729 -7.601 27 HB THR 3 HB THR 3 -0.314 5.886 -9.069 28 HG1 THR 3 HG1 THR 3 0.817 5.946 -10.853 29 HG21 THR 3 3HG2 THR 3 -2.257 6.934 -10.170 30 HG22 THR 3 1HG2 THR 3 -1.509 8.522 -10.011 31 HG23 THR 3 2HG2 THR 3 -2.010 7.635 -8.571 32 H GLY 4 H GLY 4 1.443 5.689 -7.319 33 HA2 GLY 4 1HA GLY 4 4.285 5.679 -8.277 34 HA3 GLY 4 2HA GLY 4 3.785 5.281 -6.640 35 H ILE 5 H ILE 5 5.236 3.649 -8.569 36 HA ILE 5 HA ILE 5 3.361 1.346 -8.892 37 HB ILE 5 HB ILE 5 4.987 0.582 -10.659 38 HG12 ILE 5 1HG1 ILE 5 6.153 3.401 -10.407 39 HG13 ILE 5 2HG1 ILE 5 6.962 1.950 -9.831 40 HG21 ILE 5 1HG2 ILE 5 3.733 3.317 -11.125 41 HG22 ILE 5 2HG2 ILE 5 2.894 1.770 -11.261 42 HG23 ILE 5 3HG2 ILE 5 4.181 2.174 -12.388 43 HD11 ILE 5 3HD1 ILE 5 6.928 1.032 -12.151 44 HD12 ILE 5 1HD1 ILE 5 7.841 2.534 -12.023 45 HD13 ILE 5 2HD1 ILE 5 6.220 2.548 -12.713 46 H VAL 6 H VAL 6 3.888 -0.565 -8.060 47 HA VAL 6 HA VAL 6 6.041 -0.649 -6.059 48 HB VAL 6 HB VAL 6 4.168 -2.962 -6.632 49 HG11 VAL 6 1HG1 VAL 6 4.353 -3.336 -4.207 50 HG12 VAL 6 2HG1 VAL 6 5.289 -1.852 -4.035 51 HG13 VAL 6 3HG1 VAL 6 5.959 -3.214 -4.933 52 HG21 VAL 6 3HG2 VAL 6 2.629 -1.069 -6.606 53 HG22 VAL 6 1HG2 VAL 6 3.373 -0.439 -5.133 54 HG23 VAL 6 2HG2 VAL 6 2.466 -1.953 -5.095 55 H ASN 7 H ASN 7 7.893 -1.766 -6.348 56 HA ASN 7 HA ASN 7 8.685 -2.742 -8.877 57 HB2 ASN 7 1HB ASN 7 9.826 -3.442 -6.138 58 HB3 ASN 7 2HB ASN 7 10.646 -3.674 -7.683 59 HD21 ASN 7 2HD2 ASN 7 10.391 -1.378 -9.055 60 HD22 ASN 7 1HD2 ASN 7 10.931 -0.035 -8.170 61 H VAL 8 H VAL 8 7.876 -4.459 -9.904 62 HA VAL 8 HA VAL 8 6.272 -6.471 -8.857 63 HB VAL 8 HB VAL 8 8.073 -6.673 -11.303 64 HG11 VAL 8 1HG1 VAL 8 6.272 -8.227 -12.138 65 HG12 VAL 8 2HG1 VAL 8 5.499 -8.134 -10.556 66 HG13 VAL 8 3HG1 VAL 8 7.096 -8.862 -10.718 67 HG21 VAL 8 3HG2 VAL 8 6.099 -5.795 -12.545 68 HG22 VAL 8 1HG2 VAL 8 6.675 -4.624 -11.363 69 HG23 VAL 8 2HG2 VAL 8 5.238 -5.586 -11.022 70 H SER 9 H SER 9 9.665 -6.089 -8.654 71 HA SER 9 HA SER 9 10.702 -8.640 -8.463 72 HB2 SER 9 1HB SER 9 11.359 -6.254 -6.705 73 HB3 SER 9 2HB SER 9 12.389 -7.668 -6.926 74 HG SER 9 HG SER 9 11.652 -5.665 -8.773 75 H SER 10 H SER 10 9.784 -10.321 -7.386 76 HA SER 10 HA SER 10 8.899 -11.616 -5.751 77 HB2 SER 10 1HB SER 10 9.965 -9.561 -3.774 78 HB3 SER 10 2HB SER 10 9.639 -11.262 -3.469 79 HG SER 10 HG SER 10 11.520 -11.709 -4.272 80 H SER 11 H SER 11 8.128 -9.744 -3.173 81 HA SER 11 HA SER 11 5.622 -8.587 -4.189 82 HB2 SER 11 1HB SER 11 4.187 -9.930 -2.738 83 HB3 SER 11 2HB SER 11 5.101 -11.005 -3.797 84 HG SER 11 HG SER 11 5.239 -11.776 -1.708 85 H LEU 12 H LEU 12 4.502 -7.340 -2.587 86 HA LEU 12 HA LEU 12 6.178 -6.510 -0.264 87 HB2 LEU 12 1HB LEU 12 6.205 -4.806 -2.071 88 HB3 LEU 12 2HB LEU 12 4.446 -4.741 -2.037 89 HG LEU 12 HG LEU 12 4.515 -3.898 0.313 90 HD11 LEU 12 1HD1 LEU 12 6.892 -3.078 1.125 91 HD12 LEU 12 2HD1 LEU 12 7.504 -4.322 0.036 92 HD13 LEU 12 3HD1 LEU 12 6.434 -4.758 1.367 93 HD21 LEU 12 3HD2 LEU 12 5.522 -1.663 -0.181 94 HD22 LEU 12 1HD2 LEU 12 4.488 -2.253 -1.478 95 HD23 LEU 12 2HD2 LEU 12 6.237 -2.339 -1.636 96 H ASN 13 H ASN 13 5.208 -6.467 1.647 97 HA ASN 13 HA ASN 13 2.438 -7.373 1.896 98 HB2 ASN 13 1HB ASN 13 2.993 -7.406 4.319 99 HB3 ASN 13 2HB ASN 13 4.167 -8.307 3.366 100 HD21 ASN 13 2HD2 ASN 13 3.987 -6.071 5.853 101 HD22 ASN 13 1HD2 ASN 13 5.516 -5.357 5.679 102 H VAL 14 H VAL 14 0.752 -6.166 2.717 103 HA VAL 14 HA VAL 14 1.078 -3.209 2.704 104 HB VAL 14 HB VAL 14 -1.464 -4.898 2.773 105 HG11 VAL 14 1HG1 VAL 14 -1.013 -1.932 2.205 106 HG12 VAL 14 2HG1 VAL 14 -1.788 -2.589 3.644 107 HG13 VAL 14 3HG1 VAL 14 -2.560 -2.766 2.073 108 HG21 VAL 14 3HG2 VAL 14 -1.635 -4.344 0.363 109 HG22 VAL 14 1HG2 VAL 14 -0.167 -5.262 0.685 110 HG23 VAL 14 2HG2 VAL 14 -0.077 -3.521 0.434 111 H ARG 15 H ARG 15 1.431 -2.267 4.610 112 HA ARG 15 HA ARG 15 0.803 -3.569 7.158 113 HB2 ARG 15 1HB ARG 15 2.056 -0.886 6.439 114 HB3 ARG 15 2HB ARG 15 1.933 -1.519 8.080 115 HG2 ARG 15 1HG ARG 15 3.332 -3.454 7.457 116 HG3 ARG 15 2HG ARG 15 3.407 -2.884 5.790 117 HD2 ARG 15 1HD ARG 15 4.556 -0.818 6.540 118 HD3 ARG 15 2HD ARG 15 4.478 -1.380 8.206 119 HE ARG 15 HE ARG 15 6.263 -2.805 7.767 120 HH11 ARG 15 1HH2 ARG 15 4.835 -1.761 4.768 121 HH12 ARG 15 2HH2 ARG 15 6.062 -2.484 3.781 122 HH21 ARG 15 1HH1 ARG 15 7.861 -3.745 6.462 123 HH22 ARG 15 2HH1 ARG 15 7.769 -3.603 4.737 124 H SER 16 H SER 16 -0.301 -2.275 8.851 125 HA SER 16 HA SER 16 -2.783 -1.030 7.777 126 HB2 SER 16 1HB SER 16 -3.013 -2.885 9.394 127 HB3 SER 16 2HB SER 16 -2.111 -1.963 10.583 128 HG SER 16 HG SER 16 -3.804 -0.274 10.035 129 H SER 17 H SER 17 0.190 -0.200 9.298 130 HA SER 17 HA SER 17 -0.572 2.636 9.380 131 HB2 SER 17 1HB SER 17 -1.270 1.772 11.602 132 HB3 SER 17 2HB SER 17 0.371 1.203 11.890 133 HG SER 17 HG SER 17 1.065 3.248 12.027 134 H ALA 18 H ALA 18 1.564 3.606 10.816 135 HA ALA 18 HA ALA 18 3.761 3.230 8.914 136 HB1 ALA 18 3HB ALA 18 4.785 5.131 10.118 137 HB2 ALA 18 1HB ALA 18 3.499 5.067 11.325 138 HB3 ALA 18 2HB ALA 18 3.123 5.501 9.658 139 H SER 19 H SER 19 3.359 0.885 10.237 140 HA SER 19 HA SER 19 5.940 0.493 11.549 141 HB2 SER 19 1HB SER 19 3.367 -0.021 13.073 142 HB3 SER 19 2HB SER 19 4.974 -0.501 13.606 143 HG SER 19 HG SER 19 3.925 2.101 13.215 144 H THR 20 H THR 20 6.704 -1.518 11.216 145 HA THR 20 HA THR 20 5.341 -3.296 9.407 146 HB THR 20 HB THR 20 7.765 -3.143 9.298 147 HG1 THR 20 HG1 THR 20 7.893 -5.589 10.283 148 HG21 THR 20 3HG2 THR 20 9.199 -3.916 11.147 149 HG22 THR 20 1HG2 THR 20 7.783 -4.204 12.153 150 HG23 THR 20 2HG2 THR 20 8.206 -2.561 11.676 151 H SER 21 H SER 21 5.772 -3.152 12.885 152 HA SER 21 HA SER 21 4.922 -5.831 13.455 153 HB2 SER 21 1HB SER 21 4.979 -3.352 15.204 154 HB3 SER 21 2HB SER 21 4.756 -5.002 15.783 155 HG SER 21 HG SER 21 7.026 -3.699 14.904 156 H SER 22 H SER 22 3.242 -3.277 12.153 157 HA SER 22 HA SER 22 0.733 -3.486 13.594 158 HB2 SER 22 1HB SER 22 -0.093 -1.955 11.929 159 HB3 SER 22 2HB SER 22 1.554 -1.470 12.284 160 HG SER 22 HG SER 22 0.582 -2.015 9.952 161 H LYS 23 H LYS 23 2.065 -5.902 12.276 162 HA LYS 23 HA LYS 23 1.506 -7.770 11.030 163 HB2 LYS 23 1HB LYS 23 -1.240 -6.938 12.029 164 HB3 LYS 23 2HB LYS 23 -0.862 -8.526 11.358 165 HG2 LYS 23 1HG LYS 23 0.813 -8.890 13.155 166 HG3 LYS 23 2HG LYS 23 0.438 -7.304 13.830 167 HD2 LYS 23 1HD LYS 23 -1.908 -8.026 14.226 168 HD3 LYS 23 2HD LYS 23 -1.532 -9.612 13.552 169 HE2 LYS 23 1HE LYS 23 0.133 -9.987 15.350 170 HE3 LYS 23 2HE LYS 23 -0.231 -8.396 16.020 171 HZ1 LYS 23 3HZ LYS 23 -1.559 -10.800 16.491 172 HZ2 LYS 23 1HZ LYS 23 -2.633 -9.795 15.646 173 HZ3 LYS 23 2HZ LYS 23 -1.936 -9.259 17.100 174 H VAL 24 H VAL 24 0.154 -8.636 9.142 175 HA VAL 24 HA VAL 24 -0.093 -6.561 7.076 176 HB VAL 24 HB VAL 24 -0.322 -9.600 6.855 177 HG11 VAL 24 1HG1 VAL 24 0.042 -7.387 4.770 178 HG12 VAL 24 2HG1 VAL 24 -1.236 -8.602 4.837 179 HG13 VAL 24 3HG1 VAL 24 0.399 -9.079 4.426 180 HG21 VAL 24 3HG2 VAL 24 2.108 -7.770 6.578 181 HG22 VAL 24 1HG2 VAL 24 2.086 -9.464 6.086 182 HG23 VAL 24 2HG2 VAL 24 1.878 -9.036 7.782 183 H ILE 25 H ILE 25 -1.949 -6.836 5.533 184 HA ILE 25 HA ILE 25 -4.508 -7.642 6.853 185 HB ILE 25 HB ILE 25 -5.599 -5.567 6.107 186 HG12 ILE 25 1HG1 ILE 25 -2.811 -4.592 5.299 187 HG13 ILE 25 2HG1 ILE 25 -4.053 -5.069 4.152 188 HG21 ILE 25 1HG2 ILE 25 -3.099 -4.988 7.756 189 HG22 ILE 25 2HG2 ILE 25 -4.590 -5.684 8.392 190 HG23 ILE 25 3HG2 ILE 25 -4.587 -4.041 7.766 191 HD11 ILE 25 3HD1 ILE 25 -5.555 -3.286 5.190 192 HD12 ILE 25 1HD1 ILE 25 -4.157 -2.695 4.303 193 HD13 ILE 25 2HD1 ILE 25 -4.128 -2.723 6.064 194 H GLY 26 H GLY 26 -2.568 -7.299 4.025 195 HA2 GLY 26 1HA GLY 26 -3.869 -9.232 2.533 196 HA3 GLY 26 2HA GLY 26 -4.605 -7.705 2.057 197 H SER 27 H SER 27 -3.480 -8.804 0.042 198 HA SER 27 HA SER 27 -0.881 -7.383 -0.365 199 HB2 SER 27 1HB SER 27 -0.109 -9.289 -1.709 200 HB3 SER 27 2HB SER 27 -0.479 -9.814 -0.069 201 HG SER 27 HG SER 27 -1.462 -11.249 -1.418 202 H LEU 28 H LEU 28 -0.839 -6.163 -2.132 203 HA LEU 28 HA LEU 28 -3.168 -6.167 -3.982 204 HB2 LEU 28 1HB LEU 28 -1.951 -3.923 -4.720 205 HB3 LEU 28 2HB LEU 28 -2.835 -3.947 -3.200 206 HG LEU 28 HG LEU 28 -0.739 -4.280 -1.945 207 HD11 LEU 28 1HD1 LEU 28 0.560 -4.390 -4.687 208 HD12 LEU 28 2HD1 LEU 28 0.694 -5.539 -3.354 209 HD13 LEU 28 3HD1 LEU 28 1.485 -3.979 -3.239 210 HD21 LEU 28 3HD2 LEU 28 -0.525 -1.986 -3.922 211 HD22 LEU 28 1HD2 LEU 28 0.268 -2.064 -2.351 212 HD23 LEU 28 2HD2 LEU 28 -1.487 -1.968 -2.448 213 H SER 29 H SER 29 -2.492 -5.489 -6.279 214 HA SER 29 HA SER 29 -0.798 -7.601 -7.329 215 HB2 SER 29 1HB SER 29 -2.867 -6.966 -8.493 216 HB3 SER 29 2HB SER 29 -2.281 -5.316 -8.689 217 HG SER 29 HG SER 29 -1.832 -6.468 -10.554 218 H GLY 30 H GLY 30 1.246 -7.387 -8.125 219 HA2 GLY 30 1HA GLY 30 3.292 -5.950 -7.462 220 HA3 GLY 30 2HA GLY 30 3.035 -6.089 -9.193 221 H ASN 31 H ASN 31 2.802 -4.184 -10.340 222 HA ASN 31 HA ASN 31 2.922 -1.635 -8.993 223 HB2 ASN 31 1HB ASN 31 2.960 -0.736 -11.307 224 HB3 ASN 31 2HB ASN 31 4.169 -1.999 -11.072 225 HD21 ASN 31 2HD2 ASN 31 2.688 -1.108 -13.588 226 HD22 ASN 31 1HD2 ASN 31 2.002 -2.536 -14.199 227 H THR 32 H THR 32 0.907 -1.874 -7.791 228 HA THR 32 HA THR 32 -1.630 -1.779 -9.292 229 HB THR 32 HB THR 32 -1.061 -1.575 -6.303 230 HG1 THR 32 HG1 THR 32 -2.603 -3.590 -7.254 231 HG21 THR 32 3HG2 THR 32 -3.537 -1.978 -6.074 232 HG22 THR 32 1HG2 THR 32 -3.712 -1.680 -7.800 233 HG23 THR 32 2HG2 THR 32 -3.175 -0.389 -6.727 234 H LYS 33 H LYS 33 -2.976 0.003 -9.450 235 HA LYS 33 HA LYS 33 -1.703 2.634 -9.354 236 HB2 LYS 33 1HB LYS 33 -4.506 1.747 -10.158 237 HB3 LYS 33 2HB LYS 33 -3.874 3.383 -10.333 238 HG2 LYS 33 1HG LYS 33 -2.103 2.574 -11.845 239 HG3 LYS 33 2HG LYS 33 -2.648 0.914 -11.624 240 HD2 LYS 33 1HD LYS 33 -3.518 1.752 -13.750 241 HD3 LYS 33 2HD LYS 33 -4.859 1.522 -12.636 242 HE2 LYS 33 1HE LYS 33 -5.108 3.902 -12.308 243 HE3 LYS 33 2HE LYS 33 -3.514 4.241 -12.990 244 HZ1 LYS 33 3HZ LYS 33 -5.914 4.227 -14.312 245 HZ2 LYS 33 1HZ LYS 33 -5.140 2.806 -14.820 246 HZ3 LYS 33 2HZ LYS 33 -4.365 4.306 -15.009 247 H VAL 34 H VAL 34 -1.895 4.054 -7.723 248 HA VAL 34 HA VAL 34 -4.239 4.008 -5.915 249 HB VAL 34 HB VAL 34 -2.706 4.181 -3.908 250 HG11 VAL 34 1HG1 VAL 34 -3.875 2.050 -4.470 251 HG12 VAL 34 2HG1 VAL 34 -2.325 1.766 -3.681 252 HG13 VAL 34 3HG1 VAL 34 -2.476 1.555 -5.420 253 HG21 VAL 34 3HG2 VAL 34 -0.378 3.266 -4.139 254 HG22 VAL 34 1HG2 VAL 34 -0.584 4.768 -5.031 255 HG23 VAL 34 2HG2 VAL 34 -0.591 3.231 -5.889 256 H THR 35 H THR 35 -4.969 5.996 -5.606 257 HA THR 35 HA THR 35 -3.509 8.324 -6.568 258 HB THR 35 HB THR 35 -5.574 9.529 -6.018 259 HG1 THR 35 HG1 THR 35 -6.935 7.317 -5.158 260 HG21 THR 35 3HG2 THR 35 -7.169 8.258 -7.404 261 HG22 THR 35 1HG2 THR 35 -6.204 6.796 -7.202 262 HG23 THR 35 2HG2 THR 35 -5.553 8.165 -8.105 263 H ILE 36 H ILE 36 -1.718 8.253 -5.098 264 HA ILE 36 HA ILE 36 -1.709 8.228 -2.337 265 HB ILE 36 HB ILE 36 0.014 9.964 -4.156 266 HG12 ILE 36 1HG1 ILE 36 0.585 7.179 -3.043 267 HG13 ILE 36 2HG1 ILE 36 -0.022 7.457 -4.668 268 HG21 ILE 36 1HG2 ILE 36 1.717 9.677 -2.194 269 HG22 ILE 36 2HG2 ILE 36 0.352 9.138 -1.223 270 HG23 ILE 36 3HG2 ILE 36 0.376 10.771 -1.894 271 HD11 ILE 36 3HD1 ILE 36 1.982 8.806 -5.187 272 HD12 ILE 36 1HD1 ILE 36 2.413 7.167 -4.701 273 HD13 ILE 36 2HD1 ILE 36 2.607 8.501 -3.566 274 H VAL 37 H VAL 37 -1.417 10.071 -0.789 275 HA VAL 37 HA VAL 37 -3.077 12.464 -1.462 276 HB VAL 37 HB VAL 37 -3.194 10.860 1.127 277 HG11 VAL 37 1HG1 VAL 37 -5.151 12.329 1.620 278 HG12 VAL 37 2HG1 VAL 37 -4.837 13.225 0.133 279 HG13 VAL 37 3HG1 VAL 37 -3.672 13.270 1.451 280 HG21 VAL 37 3HG2 VAL 37 -5.183 11.034 -1.177 281 HG22 VAL 37 1HG2 VAL 37 -5.472 10.208 0.355 282 HG23 VAL 37 2HG2 VAL 37 -4.235 9.612 -0.745 283 H GLY 38 H GLY 38 -1.764 11.828 1.718 284 HA2 GLY 38 1HA GLY 38 0.045 14.172 1.444 285 HA3 GLY 38 2HA GLY 38 -0.616 13.516 2.933 286 H GLU 39 H GLU 39 1.733 13.765 3.471 287 HA GLU 39 HA GLU 39 3.187 11.204 2.935 288 HB2 GLU 39 1HB GLU 39 5.307 12.521 2.958 289 HB3 GLU 39 2HB GLU 39 4.260 12.945 1.605 290 HG2 GLU 39 1HG GLU 39 3.441 14.930 2.866 291 HG3 GLU 39 2HG GLU 39 4.513 14.520 4.203 292 H GLU 40 H GLU 40 4.136 10.261 4.655 293 HA GLU 40 HA GLU 40 4.424 11.654 7.220 294 HB2 GLU 40 1HB GLU 40 2.049 10.898 7.166 295 HB3 GLU 40 2HB GLU 40 2.589 9.238 6.931 296 HG2 GLU 40 1HG GLU 40 3.760 9.286 9.115 297 HG3 GLU 40 2HG GLU 40 3.298 10.973 9.337 298 H GLY 41 H GLY 41 6.448 11.118 7.743 299 HA2 GLY 41 1HA GLY 41 8.393 9.918 8.034 300 HA3 GLY 41 2HA GLY 41 7.324 8.594 8.486 301 H ALA 42 H ALA 42 7.553 6.794 7.283 302 HA ALA 42 HA ALA 42 8.580 6.965 4.466 303 HB1 ALA 42 3HB ALA 42 9.577 4.739 4.850 304 HB2 ALA 42 1HB ALA 42 8.981 4.753 6.515 305 HB3 ALA 42 2HB ALA 42 10.203 5.915 6.009 306 H PHE 43 H PHE 43 5.754 6.988 5.576 307 HA PHE 43 HA PHE 43 4.702 4.870 3.786 308 HB2 PHE 43 1HB PHE 43 3.658 5.240 6.637 309 HB3 PHE 43 2HB PHE 43 3.154 4.025 5.465 310 HD1 PHE 43 HD2 PHE 43 5.872 5.081 7.769 311 HD2 PHE 43 HD1 PHE 43 4.616 2.069 4.952 312 HE1 PHE 43 HE2 PHE 43 7.687 3.585 8.549 313 HE2 PHE 43 HE1 PHE 43 6.443 0.585 5.734 314 HZ PHE 43 HZ PHE 43 7.973 1.342 7.533 315 H TYR 44 H TYR 44 2.518 5.236 3.152 316 HA TYR 44 HA TYR 44 1.305 7.876 3.752 317 HB2 TYR 44 1HB TYR 44 0.956 8.278 1.311 318 HB3 TYR 44 2HB TYR 44 2.650 8.314 1.775 319 HD1 TYR 44 HD1 TYR 44 4.058 6.140 1.491 320 HD2 TYR 44 HD2 TYR 44 0.245 6.722 -0.445 321 HE1 TYR 44 HE1 TYR 44 4.617 4.387 -0.167 322 HE2 TYR 44 HE2 TYR 44 0.841 4.956 -2.088 323 HH TYR 44 HH TYR 44 2.318 3.484 -2.733 324 H LYS 45 H LYS 45 -0.852 8.000 2.492 325 HA LYS 45 HA LYS 45 -2.392 5.563 3.178 326 HB2 LYS 45 1HB LYS 45 -3.240 8.419 2.587 327 HB3 LYS 45 2HB LYS 45 -4.345 7.120 3.020 328 HG2 LYS 45 1HG LYS 45 -3.146 6.816 5.180 329 HG3 LYS 45 2HG LYS 45 -2.074 8.147 4.772 330 HD2 LYS 45 1HD LYS 45 -5.108 8.537 4.894 331 HD3 LYS 45 2HD LYS 45 -4.117 8.663 6.342 332 HE2 LYS 45 1HE LYS 45 -3.794 10.376 3.842 333 HE3 LYS 45 2HE LYS 45 -4.503 10.893 5.361 334 HZ1 LYS 45 3HZ LYS 45 -1.773 10.743 4.637 335 HZ2 LYS 45 1HZ LYS 45 -2.061 9.779 6.001 336 HZ3 LYS 45 2HZ LYS 45 -2.479 11.425 6.023 337 H ILE 46 H ILE 46 -3.843 4.627 1.737 338 HA ILE 46 HA ILE 46 -3.881 5.514 -1.080 339 HB ILE 46 HB ILE 46 -3.434 3.132 -1.823 340 HG12 ILE 46 1HG1 ILE 46 -2.401 2.756 1.014 341 HG13 ILE 46 2HG1 ILE 46 -3.919 2.078 0.450 342 HG21 ILE 46 1HG2 ILE 46 -0.988 3.306 -1.671 343 HG22 ILE 46 2HG2 ILE 46 -1.107 4.371 -0.273 344 HG23 ILE 46 3HG2 ILE 46 -1.640 4.933 -1.851 345 HD11 ILE 46 3HD1 ILE 46 -2.185 0.375 0.328 346 HD12 ILE 46 1HD1 ILE 46 -1.145 1.438 -0.619 347 HD13 ILE 46 2HD1 ILE 46 -2.649 0.826 -1.310 348 H GLU 47 H GLU 47 -5.525 4.485 -2.323 349 HA GLU 47 HA GLU 47 -7.851 3.477 -0.722 350 HB2 GLU 47 1HB GLU 47 -9.080 4.680 -2.865 351 HB3 GLU 47 2HB GLU 47 -8.744 5.541 -1.372 352 HG2 GLU 47 1HG GLU 47 -8.037 6.832 -3.383 353 HG3 GLU 47 2HG GLU 47 -6.682 6.487 -2.318 354 H TYR 48 H TYR 48 -7.408 1.311 -1.120 355 HA TYR 48 HA TYR 48 -7.978 0.401 -3.891 356 HB2 TYR 48 1HB TYR 48 -5.453 0.367 -3.239 357 HB3 TYR 48 2HB TYR 48 -5.862 -0.934 -2.137 358 HD1 TYR 48 HD2 TYR 48 -6.331 0.123 -5.732 359 HD2 TYR 48 HD1 TYR 48 -5.903 -3.211 -3.023 360 HE1 TYR 48 HE2 TYR 48 -6.321 -1.447 -7.647 361 HE2 TYR 48 HE1 TYR 48 -5.896 -4.762 -4.955 362 HH TYR 48 HH TYR 48 -6.592 -3.655 -8.207 363 H LYS 49 H LYS 49 -8.968 -1.625 -4.039 364 HA LYS 49 HA LYS 49 -10.581 -3.155 -3.430 365 HB2 LYS 49 1HB LYS 49 -8.593 -3.322 -1.136 366 HB3 LYS 49 2HB LYS 49 -10.016 -4.341 -1.121 367 HG2 LYS 49 1HG LYS 49 -8.263 -4.321 -3.617 368 HG3 LYS 49 2HG LYS 49 -7.725 -5.233 -2.216 369 HD2 LYS 49 1HD LYS 49 -9.842 -6.530 -2.231 370 HD3 LYS 49 2HD LYS 49 -10.406 -5.606 -3.620 371 HE2 LYS 49 1HE LYS 49 -8.517 -6.465 -4.965 372 HE3 LYS 49 2HE LYS 49 -7.921 -7.363 -3.568 373 HZ1 LYS 49 3HZ LYS 49 -10.154 -8.465 -3.516 374 HZ2 LYS 49 1HZ LYS 49 -9.180 -8.867 -4.845 375 HZ3 LYS 49 2HZ LYS 49 -10.463 -7.769 -5.034 376 H GLY 50 H GLY 50 -10.762 -0.237 -2.472 377 HA2 GLY 50 1HA GLY 50 -12.428 1.019 -1.507 378 HA3 GLY 50 2HA GLY 50 -13.304 -0.466 -1.139 379 H SER 51 H SER 51 -10.290 -0.954 0.029 380 HA SER 51 HA SER 51 -10.960 -0.100 2.798 381 HB2 SER 51 1HB SER 51 -10.731 -2.526 2.483 382 HB3 SER 51 2HB SER 51 -9.149 -2.302 1.741 383 HG SER 51 HG SER 51 -9.964 -1.828 4.406 384 H HIS 52 H HIS 52 -8.927 0.204 4.137 385 HA HIS 52 HA HIS 52 -7.040 2.031 2.713 386 HB2 HIS 52 1HB HIS 52 -6.675 3.016 4.969 387 HB3 HIS 52 2HB HIS 52 -8.364 3.108 4.475 388 HD1 HIS 52 HD1 HIS 52 -10.080 1.770 5.807 389 HD2 HIS 52 HD2 HIS 52 -6.162 1.073 7.047 390 HE1 HIS 52 HE1 HIS 52 -10.237 0.465 7.971 391 HE2 HIS 52 HE2 HIS 52 -7.855 0.032 8.740 392 H GLY 53 H GLY 53 -4.869 1.750 2.895 393 HA2 GLY 53 1HA GLY 53 -3.723 -0.315 4.656 394 HA3 GLY 53 2HA GLY 53 -3.567 -0.564 2.917 395 H TYR 54 H TYR 54 -1.310 -0.388 4.380 396 HA TYR 54 HA TYR 54 -0.142 2.230 3.544 397 HB2 TYR 54 1HB TYR 54 0.314 0.806 6.191 398 HB3 TYR 54 2HB TYR 54 1.250 2.181 5.627 399 HD1 TYR 54 HD2 TYR 54 -2.236 1.057 6.472 400 HD2 TYR 54 HD1 TYR 54 0.370 4.451 5.908 401 HE1 TYR 54 HE2 TYR 54 -3.999 2.571 7.333 402 HE2 TYR 54 HE1 TYR 54 -1.411 5.947 6.764 403 HH TYR 54 HH TYR 54 -3.907 5.909 6.953 404 H VAL 55 H VAL 55 1.910 2.153 2.786 405 HA VAL 55 HA VAL 55 3.409 -0.399 2.728 406 HB VAL 55 HB VAL 55 3.732 -0.016 0.166 407 HG11 VAL 55 1HG1 VAL 55 2.404 -1.910 1.049 408 HG12 VAL 55 2HG1 VAL 55 1.688 -1.278 -0.431 409 HG13 VAL 55 3HG1 VAL 55 0.976 -0.882 1.131 410 HG21 VAL 55 3HG2 VAL 55 1.959 1.204 -1.000 411 HG22 VAL 55 1HG2 VAL 55 2.710 2.274 0.178 412 HG23 VAL 55 2HG2 VAL 55 1.140 1.556 0.520 413 H ALA 56 H ALA 56 5.581 -0.164 2.376 414 HA ALA 56 HA ALA 56 6.776 2.272 3.253 415 HB1 ALA 56 3HB ALA 56 7.791 0.069 3.670 416 HB2 ALA 56 1HB ALA 56 8.912 1.092 2.771 417 HB3 ALA 56 2HB ALA 56 8.005 -0.176 1.942 418 H LYS 57 H LYS 57 8.009 3.781 2.120 419 HA LYS 57 HA LYS 57 7.252 4.239 -0.670 420 HB2 LYS 57 1HB LYS 57 8.973 5.804 1.290 421 HB3 LYS 57 2HB LYS 57 8.589 6.355 -0.342 422 HG2 LYS 57 1HG LYS 57 6.171 6.295 0.206 423 HG3 LYS 57 2HG LYS 57 6.545 5.754 1.842 424 HD2 LYS 57 1HD LYS 57 7.791 7.847 2.262 425 HD3 LYS 57 2HD LYS 57 7.462 8.390 0.617 426 HE2 LYS 57 1HE LYS 57 5.035 8.381 1.101 427 HE3 LYS 57 2HE LYS 57 5.365 7.841 2.747 428 HZ1 LYS 57 3HZ LYS 57 6.052 9.867 3.367 429 HZ2 LYS 57 1HZ LYS 57 5.144 10.397 2.036 430 HZ3 LYS 57 2HZ LYS 57 6.824 10.190 1.888 431 H GLU 58 H GLU 58 9.981 2.994 1.105 432 HA GLU 58 HA GLU 58 12.054 3.425 -0.734 433 HB2 GLU 58 1HB GLU 58 12.037 2.364 1.712 434 HB3 GLU 58 2HB GLU 58 11.912 0.833 0.862 435 HG2 GLU 58 1HG GLU 58 14.124 2.907 0.511 436 HG3 GLU 58 2HG GLU 58 14.276 1.366 1.349 437 H TYR 59 H TYR 59 9.515 0.998 -0.697 438 HA TYR 59 HA TYR 59 10.617 -0.566 -2.910 439 HB2 TYR 59 1HB TYR 59 7.986 -0.581 -1.389 440 HB3 TYR 59 2HB TYR 59 8.208 -1.581 -2.824 441 HD1 TYR 59 HD1 TYR 59 9.881 -0.755 0.458 442 HD2 TYR 59 HD2 TYR 59 9.179 -3.788 -2.533 443 HE1 TYR 59 HE1 TYR 59 11.037 -2.434 1.867 444 HE2 TYR 59 HE2 TYR 59 10.340 -5.446 -1.107 445 HH TYR 59 HH TYR 59 11.781 -4.516 2.007 446 H ILE 60 H ILE 60 9.170 2.439 -2.736 447 HA ILE 60 HA ILE 60 7.897 2.259 -5.434 448 HB ILE 60 HB ILE 60 7.688 4.507 -3.382 449 HG12 ILE 60 1HG1 ILE 60 6.757 2.477 -2.362 450 HG13 ILE 60 2HG1 ILE 60 5.452 3.554 -2.816 451 HG21 ILE 60 1HG2 ILE 60 5.694 5.154 -4.712 452 HG22 ILE 60 2HG2 ILE 60 6.011 3.828 -5.829 453 HG23 ILE 60 3HG2 ILE 60 7.151 5.168 -5.707 454 HD11 ILE 60 3HD1 ILE 60 5.293 2.114 -5.001 455 HD12 ILE 60 1HD1 ILE 60 4.712 1.413 -3.494 456 HD13 ILE 60 2HD1 ILE 60 6.291 0.957 -4.120 Start of MODEL 9 1 H1 MET 1 1H MET 1 0.723 12.429 -11.868 2 H2 MET 1 2H MET 1 1.944 11.251 -11.794 3 H3 MET 1 3H MET 1 2.051 12.517 -12.920 4 HA MET 1 HA MET 1 3.540 13.072 -11.197 5 HB2 MET 1 1HB MET 1 2.050 14.907 -12.033 6 HB3 MET 1 2HB MET 1 0.912 14.563 -10.736 7 HG2 MET 1 1HG MET 1 2.638 15.139 -9.055 8 HG3 MET 1 2HG MET 1 3.814 15.411 -10.339 9 HE1 MET 1 3HE MET 1 3.094 18.915 -8.864 10 HE2 MET 1 1HE MET 1 4.223 17.562 -9.028 11 HE3 MET 1 2HE MET 1 2.840 17.432 -7.946 12 H LYS 2 H LYS 2 0.351 13.059 -9.603 13 HA LYS 2 HA LYS 2 1.463 12.337 -7.016 14 HB2 LYS 2 1HB LYS 2 -0.918 12.383 -6.292 15 HB3 LYS 2 2HB LYS 2 -0.458 13.846 -7.161 16 HG2 LYS 2 1HG LYS 2 -1.485 12.953 -9.237 17 HG3 LYS 2 2HG LYS 2 -1.950 11.483 -8.384 18 HD2 LYS 2 1HD LYS 2 -3.348 12.836 -6.827 19 HD3 LYS 2 2HD LYS 2 -2.910 14.294 -7.720 20 HE2 LYS 2 1HE LYS 2 -4.380 11.887 -8.875 21 HE3 LYS 2 2HE LYS 2 -5.111 13.442 -8.473 22 HZ1 LYS 2 3HZ LYS 2 -2.904 13.987 -10.052 23 HZ2 LYS 2 1HZ LYS 2 -4.537 14.136 -10.483 24 HZ3 LYS 2 2HZ LYS 2 -3.701 12.691 -10.805 25 H THR 3 H THR 3 1.753 10.459 -9.311 26 HA THR 3 HA THR 3 0.607 8.030 -8.011 27 HB THR 3 HB THR 3 0.160 7.080 -10.213 28 HG1 THR 3 HG1 THR 3 1.890 8.291 -11.230 29 HG21 THR 3 3HG2 THR 3 -1.669 8.550 -10.951 30 HG22 THR 3 1HG2 THR 3 -0.970 9.902 -10.062 31 HG23 THR 3 2HG2 THR 3 -1.619 8.514 -9.190 32 H GLY 4 H GLY 4 1.810 6.154 -8.297 33 HA2 GLY 4 1HA GLY 4 4.575 6.391 -9.335 34 HA3 GLY 4 2HA GLY 4 4.315 5.936 -7.651 35 H ILE 5 H ILE 5 5.614 4.340 -9.529 36 HA ILE 5 HA ILE 5 3.696 2.106 -10.046 37 HB ILE 5 HB ILE 5 6.430 2.606 -11.296 38 HG12 ILE 5 1HG1 ILE 5 3.640 2.938 -12.533 39 HG13 ILE 5 2HG1 ILE 5 4.624 4.284 -11.969 40 HG21 ILE 5 1HG2 ILE 5 5.711 0.772 -12.860 41 HG22 ILE 5 2HG2 ILE 5 4.242 0.557 -11.917 42 HG23 ILE 5 3HG2 ILE 5 5.809 0.191 -11.206 43 HD11 ILE 5 3HD1 ILE 5 4.896 4.024 -14.380 44 HD12 ILE 5 1HD1 ILE 5 5.389 2.348 -14.174 45 HD13 ILE 5 2HD1 ILE 5 6.413 3.648 -13.568 46 H VAL 6 H VAL 6 3.989 0.218 -9.063 47 HA VAL 6 HA VAL 6 5.943 0.019 -6.903 48 HB VAL 6 HB VAL 6 3.884 -2.000 -7.887 49 HG11 VAL 6 1HG1 VAL 6 5.653 -3.053 -6.508 50 HG12 VAL 6 2HG1 VAL 6 4.159 -2.963 -5.593 51 HG13 VAL 6 3HG1 VAL 6 5.454 -1.809 -5.273 52 HG21 VAL 6 3HG2 VAL 6 2.834 0.130 -7.189 53 HG22 VAL 6 1HG2 VAL 6 3.729 0.088 -5.670 54 HG23 VAL 6 2HG2 VAL 6 2.508 -1.131 -6.017 55 H ASN 7 H ASN 7 7.825 -1.027 -7.007 56 HA ASN 7 HA ASN 7 8.972 -1.905 -9.436 57 HB2 ASN 7 1HB ASN 7 9.771 -2.645 -6.600 58 HB3 ASN 7 2HB ASN 7 10.790 -2.803 -8.026 59 HD21 ASN 7 2HD2 ASN 7 12.239 -1.284 -6.742 60 HD22 ASN 7 1HD2 ASN 7 11.944 0.382 -6.855 61 H VAL 8 H VAL 8 8.196 -3.580 -10.583 62 HA VAL 8 HA VAL 8 6.738 -5.778 -9.505 63 HB VAL 8 HB VAL 8 6.543 -4.983 -11.852 64 HG11 VAL 8 1HG1 VAL 8 9.200 -6.379 -12.428 65 HG12 VAL 8 2HG1 VAL 8 9.080 -4.641 -12.166 66 HG13 VAL 8 3HG1 VAL 8 8.243 -5.384 -13.524 67 HG21 VAL 8 3HG2 VAL 8 5.801 -7.291 -11.227 68 HG22 VAL 8 1HG2 VAL 8 7.395 -7.913 -11.653 69 HG23 VAL 8 2HG2 VAL 8 6.360 -7.220 -12.895 70 H SER 9 H SER 9 7.410 -7.711 -8.741 71 HA SER 9 HA SER 9 9.887 -8.971 -9.426 72 HB2 SER 9 1HB SER 9 11.012 -8.790 -7.232 73 HB3 SER 9 2HB SER 9 10.811 -7.199 -7.943 74 HG SER 9 HG SER 9 10.182 -7.301 -5.728 75 H SER 10 H SER 10 7.661 -8.643 -6.653 76 HA SER 10 HA SER 10 6.788 -11.441 -6.976 77 HB2 SER 10 1HB SER 10 8.132 -10.406 -4.459 78 HB3 SER 10 2HB SER 10 7.308 -11.960 -4.598 79 HG SER 10 HG SER 10 9.564 -11.060 -6.076 80 H SER 11 H SER 11 6.297 -10.297 -3.867 81 HA SER 11 HA SER 11 3.668 -9.026 -4.501 82 HB2 SER 11 1HB SER 11 3.287 -11.411 -4.001 83 HB3 SER 11 2HB SER 11 4.137 -11.230 -2.468 84 HG SER 11 HG SER 11 2.269 -10.612 -1.740 85 H LEU 12 H LEU 12 3.034 -7.477 -3.134 86 HA LEU 12 HA LEU 12 5.000 -6.545 -1.115 87 HB2 LEU 12 1HB LEU 12 2.983 -5.188 -2.899 88 HB3 LEU 12 2HB LEU 12 3.405 -4.387 -1.396 89 HG LEU 12 HG LEU 12 4.803 -3.592 -3.292 90 HD11 LEU 12 1HD1 LEU 12 6.719 -3.336 -2.055 91 HD12 LEU 12 2HD1 LEU 12 6.880 -5.043 -1.669 92 HD13 LEU 12 3HD1 LEU 12 5.748 -4.037 -0.768 93 HD21 LEU 12 3HD2 LEU 12 4.720 -5.935 -4.478 94 HD22 LEU 12 1HD2 LEU 12 6.103 -6.343 -3.461 95 HD23 LEU 12 2HD2 LEU 12 6.206 -5.007 -4.601 96 H ASN 13 H ASN 13 4.485 -6.186 0.935 97 HA ASN 13 HA ASN 13 2.053 -7.479 1.975 98 HB2 ASN 13 1HB ASN 13 4.525 -6.377 3.374 99 HB3 ASN 13 2HB ASN 13 3.239 -7.321 4.134 100 HD21 ASN 13 2HD2 ASN 13 6.286 -7.807 3.320 101 HD22 ASN 13 1HD2 ASN 13 6.226 -9.377 2.679 102 H VAL 14 H VAL 14 0.348 -6.297 2.486 103 HA VAL 14 HA VAL 14 0.607 -3.364 2.753 104 HB VAL 14 HB VAL 14 -1.864 -5.095 2.501 105 HG11 VAL 14 1HG1 VAL 14 -3.009 -2.894 2.049 106 HG12 VAL 14 2HG1 VAL 14 -1.520 -2.056 2.481 107 HG13 VAL 14 3HG1 VAL 14 -2.395 -2.990 3.695 108 HG21 VAL 14 3HG2 VAL 14 -0.484 -3.273 0.478 109 HG22 VAL 14 1HG2 VAL 14 -1.956 -4.205 0.201 110 HG23 VAL 14 2HG2 VAL 14 -0.423 -5.032 0.449 111 H ARG 15 H ARG 15 0.945 -2.624 4.735 112 HA ARG 15 HA ARG 15 0.131 -4.144 7.112 113 HB2 ARG 15 1HB ARG 15 1.628 -1.528 6.757 114 HB3 ARG 15 2HB ARG 15 1.357 -2.330 8.302 115 HG2 ARG 15 1HG ARG 15 2.624 -4.305 7.535 116 HG3 ARG 15 2HG ARG 15 2.853 -3.563 5.947 117 HD2 ARG 15 1HD ARG 15 4.087 -1.684 7.009 118 HD3 ARG 15 2HD ARG 15 3.902 -2.471 8.574 119 HE ARG 15 HE ARG 15 5.077 -4.341 6.861 120 HH11 ARG 15 1HH2 ARG 15 5.760 -1.237 8.238 121 HH12 ARG 15 2HH2 ARG 15 7.478 -1.460 8.248 122 HH21 ARG 15 1HH1 ARG 15 7.326 -4.645 6.873 123 HH22 ARG 15 2HH1 ARG 15 8.363 -3.395 7.475 124 H SER 16 H SER 16 -0.780 -2.743 8.911 125 HA SER 16 HA SER 16 -3.242 -1.393 7.918 126 HB2 SER 16 1HB SER 16 -4.107 -1.804 10.154 127 HB3 SER 16 2HB SER 16 -3.417 -3.297 9.521 128 HG SER 16 HG SER 16 -2.052 -3.261 11.100 129 H SER 17 H SER 17 -0.201 -0.736 9.414 130 HA SER 17 HA SER 17 -0.858 2.132 9.591 131 HB2 SER 17 1HB SER 17 -0.129 2.324 11.907 132 HB3 SER 17 2HB SER 17 -1.417 1.125 11.829 133 HG SER 17 HG SER 17 0.056 -0.475 12.062 134 H ALA 18 H ALA 18 1.407 2.940 10.936 135 HA ALA 18 HA ALA 18 3.566 2.340 8.963 136 HB1 ALA 18 3HB ALA 18 2.882 4.699 9.146 137 HB2 ALA 18 1HB ALA 18 4.528 4.495 9.751 138 HB3 ALA 18 2HB ALA 18 3.186 4.668 10.879 139 H SER 19 H SER 19 3.338 0.294 10.657 140 HA SER 19 HA SER 19 5.738 0.536 12.402 141 HB2 SER 19 1HB SER 19 3.782 0.732 13.883 142 HB3 SER 19 2HB SER 19 3.101 -0.743 13.210 143 HG SER 19 HG SER 19 4.400 -0.912 15.215 144 H THR 20 H THR 20 7.070 -1.146 12.305 145 HA THR 20 HA THR 20 6.800 -3.100 10.238 146 HB THR 20 HB THR 20 9.006 -2.328 10.885 147 HG1 THR 20 HG1 THR 20 8.831 -4.953 11.878 148 HG21 THR 20 3HG2 THR 20 8.426 -3.541 13.618 149 HG22 THR 20 1HG2 THR 20 8.536 -1.818 13.272 150 HG23 THR 20 2HG2 THR 20 9.953 -2.842 13.104 151 H SER 21 H SER 21 5.991 -3.035 13.611 152 HA SER 21 HA SER 21 5.744 -5.912 13.933 153 HB2 SER 21 1HB SER 21 4.699 -3.625 15.640 154 HB3 SER 21 2HB SER 21 4.744 -5.325 16.112 155 HG SER 21 HG SER 21 6.577 -3.755 16.656 156 H SER 22 H SER 22 3.919 -3.588 12.325 157 HA SER 22 HA SER 22 1.262 -4.388 12.945 158 HB2 SER 22 1HB SER 22 1.802 -2.274 11.777 159 HB3 SER 22 2HB SER 22 2.336 -3.186 10.374 160 HG SER 22 HG SER 22 0.293 -3.846 10.015 161 H LYS 23 H LYS 23 0.229 -6.211 12.435 162 HA LYS 23 HA LYS 23 1.441 -8.327 10.932 163 HB2 LYS 23 1HB LYS 23 -1.435 -7.944 11.851 164 HB3 LYS 23 2HB LYS 23 -0.753 -9.459 11.243 165 HG2 LYS 23 1HG LYS 23 0.909 -9.455 13.093 166 HG3 LYS 23 2HG LYS 23 0.214 -7.949 13.710 167 HD2 LYS 23 1HD LYS 23 -1.963 -9.091 14.057 168 HD3 LYS 23 2HD LYS 23 -1.280 -10.593 13.429 169 HE2 LYS 23 1HE LYS 23 0.364 -10.630 15.277 170 HE3 LYS 23 2HE LYS 23 -0.296 -9.114 15.902 171 HZ1 LYS 23 3HZ LYS 23 -1.840 -10.260 16.956 172 HZ2 LYS 23 1HZ LYS 23 -1.204 -11.715 16.360 173 HZ3 LYS 23 2HZ LYS 23 -2.408 -10.896 15.485 174 H VAL 24 H VAL 24 0.313 -9.392 9.089 175 HA VAL 24 HA VAL 24 -0.023 -7.483 6.943 176 HB VAL 24 HB VAL 24 -0.431 -10.513 6.860 177 HG11 VAL 24 1HG1 VAL 24 -1.268 -9.273 4.880 178 HG12 VAL 24 2HG1 VAL 24 0.157 -10.208 4.461 179 HG13 VAL 24 3HG1 VAL 24 0.291 -8.468 4.705 180 HG21 VAL 24 3HG2 VAL 24 1.963 -10.607 6.158 181 HG22 VAL 24 1HG2 VAL 24 1.799 -10.000 7.803 182 HG23 VAL 24 2HG2 VAL 24 2.125 -8.879 6.481 183 H ILE 25 H ILE 25 -1.874 -6.467 6.625 184 HA ILE 25 HA ILE 25 -4.468 -7.658 7.421 185 HB ILE 25 HB ILE 25 -4.116 -5.440 8.293 186 HG12 ILE 25 1HG1 ILE 25 -5.809 -4.961 5.808 187 HG13 ILE 25 2HG1 ILE 25 -6.361 -6.031 7.090 188 HG21 ILE 25 1HG2 ILE 25 -2.310 -4.670 6.882 189 HG22 ILE 25 2HG2 ILE 25 -3.608 -3.502 6.749 190 HG23 ILE 25 3HG2 ILE 25 -3.330 -4.656 5.449 191 HD11 ILE 25 3HD1 ILE 25 -7.251 -3.734 7.328 192 HD12 ILE 25 1HD1 ILE 25 -5.605 -3.121 7.476 193 HD13 ILE 25 2HD1 ILE 25 -6.259 -4.208 8.703 194 H GLY 26 H GLY 26 -2.493 -7.104 4.662 195 HA2 GLY 26 1HA GLY 26 -4.429 -8.316 2.897 196 HA3 GLY 26 2HA GLY 26 -4.223 -6.589 2.601 197 H SER 27 H SER 27 -3.470 -7.345 0.497 198 HA SER 27 HA SER 27 -0.559 -7.479 0.455 199 HB2 SER 27 1HB SER 27 -2.201 -9.757 -0.706 200 HB3 SER 27 2HB SER 27 -0.457 -9.540 -0.889 201 HG SER 27 HG SER 27 -0.386 -10.613 0.908 202 H LEU 28 H LEU 28 0.166 -6.396 -1.259 203 HA LEU 28 HA LEU 28 -1.729 -5.713 -3.458 204 HB2 LEU 28 1HB LEU 28 -0.723 -3.866 -1.927 205 HB3 LEU 28 2HB LEU 28 0.782 -4.160 -2.746 206 HG LEU 28 HG LEU 28 -0.787 -3.853 -4.960 207 HD11 LEU 28 1HD1 LEU 28 -2.557 -2.216 -4.651 208 HD12 LEU 28 2HD1 LEU 28 -2.219 -2.107 -2.926 209 HD13 LEU 28 3HD1 LEU 28 -2.882 -3.590 -3.600 210 HD21 LEU 28 3HD2 LEU 28 -0.167 -1.425 -4.996 211 HD22 LEU 28 1HD2 LEU 28 1.173 -2.471 -4.526 212 HD23 LEU 28 2HD2 LEU 28 0.305 -1.546 -3.304 213 H SER 29 H SER 29 -1.034 -5.779 -5.561 214 HA SER 29 HA SER 29 1.127 -7.707 -6.127 215 HB2 SER 29 1HB SER 29 0.161 -7.624 -8.442 216 HB3 SER 29 2HB SER 29 -1.014 -8.097 -7.217 217 HG SER 29 HG SER 29 -2.018 -6.545 -8.353 218 H GLY 30 H GLY 30 2.642 -7.273 -7.813 219 HA2 GLY 30 1HA GLY 30 3.872 -4.650 -7.567 220 HA3 GLY 30 2HA GLY 30 4.468 -6.021 -8.498 221 H ASN 31 H ASN 31 4.275 -3.213 -9.284 222 HA ASN 31 HA ASN 31 3.871 -2.035 -11.192 223 HB2 ASN 31 1HB ASN 31 4.167 -4.452 -12.242 224 HB3 ASN 31 2HB ASN 31 2.432 -4.406 -12.473 225 HD21 ASN 31 2HD2 ASN 31 2.495 -1.415 -12.941 226 HD22 ASN 31 1HD2 ASN 31 3.111 -1.239 -14.512 227 H THR 32 H THR 32 1.860 -2.549 -8.964 228 HA THR 32 HA THR 32 -0.721 -2.050 -10.298 229 HB THR 32 HB THR 32 -0.078 -2.134 -7.325 230 HG1 THR 32 HG1 THR 32 -0.897 -4.261 -7.543 231 HG21 THR 32 3HG2 THR 32 -2.701 -2.402 -8.860 232 HG22 THR 32 1HG2 THR 32 -2.248 -1.032 -7.846 233 HG23 THR 32 2HG2 THR 32 -2.514 -2.613 -7.123 234 H LYS 33 H LYS 33 -1.763 -0.124 -10.343 235 HA LYS 33 HA LYS 33 -0.186 2.273 -9.753 236 HB2 LYS 33 1HB LYS 33 -1.476 2.025 -11.881 237 HB3 LYS 33 2HB LYS 33 -2.980 2.042 -10.959 238 HG2 LYS 33 1HG LYS 33 -2.428 4.300 -10.080 239 HG3 LYS 33 2HG LYS 33 -0.900 4.279 -10.962 240 HD2 LYS 33 1HD LYS 33 -2.153 4.124 -13.107 241 HD3 LYS 33 2HD LYS 33 -3.674 4.180 -12.209 242 HE2 LYS 33 1HE LYS 33 -1.540 6.357 -12.201 243 HE3 LYS 33 2HE LYS 33 -3.080 6.431 -13.061 244 HZ1 LYS 33 3HZ LYS 33 -2.520 6.737 -10.234 245 HZ2 LYS 33 1HZ LYS 33 -3.889 5.804 -10.597 246 HZ3 LYS 33 2HZ LYS 33 -3.772 7.398 -11.172 247 H VAL 34 H VAL 34 -0.628 3.737 -8.190 248 HA VAL 34 HA VAL 34 -3.046 3.486 -6.504 249 HB VAL 34 HB VAL 34 -1.549 3.640 -4.436 250 HG11 VAL 34 1HG1 VAL 34 -1.076 1.224 -4.345 251 HG12 VAL 34 2HG1 VAL 34 -1.223 1.095 -6.091 252 HG13 VAL 34 3HG1 VAL 34 -2.635 1.497 -5.117 253 HG21 VAL 34 3HG2 VAL 34 0.808 2.859 -4.688 254 HG22 VAL 34 1HG2 VAL 34 0.548 4.360 -5.554 255 HG23 VAL 34 2HG2 VAL 34 0.622 2.843 -6.435 256 H THR 35 H THR 35 -3.916 5.412 -6.239 257 HA THR 35 HA THR 35 -2.524 7.856 -6.993 258 HB THR 35 HB THR 35 -4.686 8.935 -6.512 259 HG1 THR 35 HG1 THR 35 -5.876 8.052 -5.056 260 HG21 THR 35 3HG2 THR 35 -5.072 6.262 -7.918 261 HG22 THR 35 1HG2 THR 35 -4.407 7.711 -8.676 262 HG23 THR 35 2HG2 THR 35 -6.081 7.693 -8.118 263 H ILE 36 H ILE 36 -0.846 7.945 -5.456 264 HA ILE 36 HA ILE 36 -1.103 7.799 -2.668 265 HB ILE 36 HB ILE 36 0.805 9.578 -4.243 266 HG12 ILE 36 1HG1 ILE 36 1.328 6.720 -3.242 267 HG13 ILE 36 2HG1 ILE 36 0.816 7.070 -4.888 268 HG21 ILE 36 1HG2 ILE 36 2.305 9.103 -2.121 269 HG22 ILE 36 2HG2 ILE 36 0.825 8.605 -1.326 270 HG23 ILE 36 3HG2 ILE 36 1.000 10.252 -1.929 271 HD11 ILE 36 3HD1 ILE 36 3.327 8.178 -3.588 272 HD12 ILE 36 1HD1 ILE 36 2.800 8.477 -5.243 273 HD13 ILE 36 2HD1 ILE 36 3.277 6.853 -4.749 274 H VAL 37 H VAL 37 -0.772 9.730 -1.188 275 HA VAL 37 HA VAL 37 -2.420 12.092 -1.976 276 HB VAL 37 HB VAL 37 -3.270 11.833 0.570 277 HG11 VAL 37 1HG1 VAL 37 -4.785 11.780 -1.380 278 HG12 VAL 37 2HG1 VAL 37 -5.239 10.540 -0.214 279 HG13 VAL 37 3HG1 VAL 37 -4.361 10.093 -1.678 280 HG21 VAL 37 3HG2 VAL 37 -3.429 9.534 1.345 281 HG22 VAL 37 1HG2 VAL 37 -1.735 9.789 0.941 282 HG23 VAL 37 2HG2 VAL 37 -2.778 8.900 -0.159 283 H GLY 38 H GLY 38 -1.351 11.520 1.271 284 HA2 GLY 38 1HA GLY 38 0.479 13.849 1.098 285 HA3 GLY 38 2HA GLY 38 -0.266 13.184 2.543 286 H GLU 39 H GLU 39 2.057 13.482 3.160 287 HA GLU 39 HA GLU 39 3.554 10.927 2.709 288 HB2 GLU 39 1HB GLU 39 4.777 13.703 3.008 289 HB3 GLU 39 2HB GLU 39 5.646 12.184 2.783 290 HG2 GLU 39 1HG GLU 39 5.554 13.175 0.591 291 HG3 GLU 39 2HG GLU 39 4.333 11.909 0.557 292 H GLU 40 H GLU 40 4.152 9.910 4.485 293 HA GLU 40 HA GLU 40 4.499 11.329 7.026 294 HB2 GLU 40 1HB GLU 40 2.047 10.743 6.900 295 HB3 GLU 40 2HB GLU 40 2.482 9.046 6.761 296 HG2 GLU 40 1HG GLU 40 1.926 9.553 9.103 297 HG3 GLU 40 2HG GLU 40 3.640 9.193 9.000 298 H GLY 41 H GLY 41 6.328 10.588 7.859 299 HA2 GLY 41 1HA GLY 41 8.157 9.232 8.235 300 HA3 GLY 41 2HA GLY 41 6.935 8.009 8.564 301 H ALA 42 H ALA 42 7.319 6.198 7.461 302 HA ALA 42 HA ALA 42 8.429 6.290 4.677 303 HB1 ALA 42 3HB ALA 42 9.912 5.207 6.347 304 HB2 ALA 42 1HB ALA 42 9.330 4.052 5.148 305 HB3 ALA 42 2HB ALA 42 8.621 4.087 6.766 306 H PHE 43 H PHE 43 5.537 6.403 5.746 307 HA PHE 43 HA PHE 43 4.449 4.422 3.847 308 HB2 PHE 43 1HB PHE 43 3.520 4.555 6.752 309 HB3 PHE 43 2HB PHE 43 2.831 3.541 5.483 310 HD1 PHE 43 HD1 PHE 43 5.780 4.051 7.690 311 HD2 PHE 43 HD2 PHE 43 4.054 1.546 4.649 312 HE1 PHE 43 HE1 PHE 43 7.490 2.319 8.141 313 HE2 PHE 43 HE2 PHE 43 5.779 -0.177 5.091 314 HZ PHE 43 HZ PHE 43 7.499 0.212 6.834 315 H TYR 44 H TYR 44 2.258 4.824 3.285 316 HA TYR 44 HA TYR 44 1.089 7.446 4.029 317 HB2 TYR 44 1HB TYR 44 0.733 7.980 1.642 318 HB3 TYR 44 2HB TYR 44 2.444 7.890 2.041 319 HD1 TYR 44 HD1 TYR 44 3.662 5.594 1.690 320 HD2 TYR 44 HD2 TYR 44 -0.092 6.583 -0.192 321 HE1 TYR 44 HE1 TYR 44 4.026 3.830 -0.006 322 HE2 TYR 44 HE2 TYR 44 0.330 4.837 -1.892 323 HH TYR 44 HH TYR 44 1.626 2.680 -2.000 324 H LYS 45 H LYS 45 -1.078 7.659 2.951 325 HA LYS 45 HA LYS 45 -2.605 5.157 3.460 326 HB2 LYS 45 1HB LYS 45 -3.484 8.050 3.242 327 HB3 LYS 45 2HB LYS 45 -4.558 6.693 3.585 328 HG2 LYS 45 1HG LYS 45 -3.247 6.183 5.627 329 HG3 LYS 45 2HG LYS 45 -2.177 7.551 5.287 330 HD2 LYS 45 1HD LYS 45 -4.125 9.096 5.455 331 HD3 LYS 45 2HD LYS 45 -5.179 7.724 5.807 332 HE2 LYS 45 1HE LYS 45 -3.865 7.237 7.853 333 HE3 LYS 45 2HE LYS 45 -2.806 8.607 7.498 334 HZ1 LYS 45 3HZ LYS 45 -4.271 9.982 8.377 335 HZ2 LYS 45 1HZ LYS 45 -5.197 8.650 8.871 336 HZ3 LYS 45 2HZ LYS 45 -5.514 9.397 7.378 337 H ILE 46 H ILE 46 -4.297 4.557 2.062 338 HA ILE 46 HA ILE 46 -4.355 5.646 -0.665 339 HB ILE 46 HB ILE 46 -4.040 3.339 -1.634 340 HG12 ILE 46 1HG1 ILE 46 -2.998 2.634 1.138 341 HG13 ILE 46 2HG1 ILE 46 -4.567 2.118 0.557 342 HG21 ILE 46 1HG2 ILE 46 -1.601 3.339 -1.535 343 HG22 ILE 46 2HG2 ILE 46 -1.594 4.259 -0.043 344 HG23 ILE 46 3HG2 ILE 46 -2.137 5.017 -1.539 345 HD11 ILE 46 3HD1 ILE 46 -2.945 0.333 0.263 346 HD12 ILE 46 1HD1 ILE 46 -1.897 1.391 -0.675 347 HD13 ILE 46 2HD1 ILE 46 -3.474 0.920 -1.310 348 H GLU 47 H GLU 47 -6.083 4.762 -1.924 349 HA GLU 47 HA GLU 47 -8.407 3.796 -0.283 350 HB2 GLU 47 1HB GLU 47 -8.397 5.751 -2.620 351 HB3 GLU 47 2HB GLU 47 -9.834 5.153 -1.786 352 HG2 GLU 47 1HG GLU 47 -9.330 7.323 -0.823 353 HG3 GLU 47 2HG GLU 47 -8.878 6.128 0.386 354 H TYR 48 H TYR 48 -7.901 1.656 -0.826 355 HA TYR 48 HA TYR 48 -8.847 0.875 -3.517 356 HB2 TYR 48 1HB TYR 48 -6.088 0.734 -2.713 357 HB3 TYR 48 2HB TYR 48 -6.656 -0.912 -2.578 358 HD1 TYR 48 HD2 TYR 48 -7.931 -1.940 -4.625 359 HD2 TYR 48 HD1 TYR 48 -5.656 1.710 -4.917 360 HE1 TYR 48 HE2 TYR 48 -7.886 -2.155 -7.087 361 HE2 TYR 48 HE1 TYR 48 -5.640 1.485 -7.380 362 HH TYR 48 HH TYR 48 -7.211 -1.278 -8.984 363 H LYS 49 H LYS 49 -9.582 -1.300 -3.644 364 HA LYS 49 HA LYS 49 -10.977 -2.958 -2.936 365 HB2 LYS 49 1HB LYS 49 -9.115 -2.907 -0.542 366 HB3 LYS 49 2HB LYS 49 -10.180 -4.242 -0.972 367 HG2 LYS 49 1HG LYS 49 -8.951 -4.393 -3.203 368 HG3 LYS 49 2HG LYS 49 -7.808 -3.202 -2.586 369 HD2 LYS 49 1HD LYS 49 -8.364 -5.918 -1.323 370 HD3 LYS 49 2HD LYS 49 -6.963 -5.526 -2.310 371 HE2 LYS 49 1HE LYS 49 -6.429 -3.670 -0.580 372 HE3 LYS 49 2HE LYS 49 -7.617 -4.460 0.464 373 HZ1 LYS 49 3HZ LYS 49 -5.620 -5.437 1.025 374 HZ2 LYS 49 1HZ LYS 49 -5.084 -5.536 -0.581 375 HZ3 LYS 49 2HZ LYS 49 -6.321 -6.565 -0.034 376 H GLY 50 H GLY 50 -11.386 -0.060 -1.990 377 HA2 GLY 50 1HA GLY 50 -13.014 1.085 -0.845 378 HA3 GLY 50 2HA GLY 50 -13.798 -0.457 -0.505 379 H SER 51 H SER 51 -10.696 -0.827 0.501 380 HA SER 51 HA SER 51 -11.227 0.016 3.317 381 HB2 SER 51 1HB SER 51 -9.920 -1.900 4.033 382 HB3 SER 51 2HB SER 51 -11.180 -2.466 2.938 383 HG SER 51 HG SER 51 -9.659 -3.171 1.689 384 H HIS 52 H HIS 52 -9.150 0.163 4.564 385 HA HIS 52 HA HIS 52 -7.251 1.914 3.072 386 HB2 HIS 52 1HB HIS 52 -7.734 1.633 6.065 387 HB3 HIS 52 2HB HIS 52 -6.653 2.797 5.289 388 HD1 HIS 52 HD1 HIS 52 -8.002 4.338 3.368 389 HD2 HIS 52 HD2 HIS 52 -10.246 2.667 6.458 390 HE1 HIS 52 HE1 HIS 52 -10.172 5.641 3.464 391 HE2 HIS 52 HE2 HIS 52 -11.552 4.633 5.343 392 H GLY 53 H GLY 53 -5.080 1.595 3.168 393 HA2 GLY 53 1HA GLY 53 -3.917 -0.669 4.648 394 HA3 GLY 53 2HA GLY 53 -3.885 -0.761 2.889 395 H TYR 54 H TYR 54 -1.539 -0.758 4.265 396 HA TYR 54 HA TYR 54 -0.315 1.861 3.496 397 HB2 TYR 54 1HB TYR 54 0.199 0.287 6.038 398 HB3 TYR 54 2HB TYR 54 1.165 1.661 5.511 399 HD1 TYR 54 HD1 TYR 54 -2.299 0.601 6.492 400 HD2 TYR 54 HD2 TYR 54 0.362 3.946 5.891 401 HE1 TYR 54 HE1 TYR 54 -3.963 2.125 7.509 402 HE2 TYR 54 HE2 TYR 54 -1.306 5.444 6.930 403 HH TYR 54 HH TYR 54 -4.297 4.964 7.169 404 H VAL 55 H VAL 55 1.793 1.761 2.769 405 HA VAL 55 HA VAL 55 3.190 -0.805 2.582 406 HB VAL 55 HB VAL 55 1.632 -0.970 0.684 407 HG11 VAL 55 1HG1 VAL 55 2.836 1.658 -0.257 408 HG12 VAL 55 2HG1 VAL 55 1.206 1.465 0.379 409 HG13 VAL 55 3HG1 VAL 55 1.660 0.697 -1.139 410 HG21 VAL 55 3HG2 VAL 55 4.073 -1.762 0.463 411 HG22 VAL 55 1HG2 VAL 55 4.398 -0.273 -0.427 412 HG23 VAL 55 2HG2 VAL 55 3.251 -1.445 -1.062 413 H ALA 56 H ALA 56 5.338 -0.602 1.803 414 HA ALA 56 HA ALA 56 6.658 1.760 2.646 415 HB1 ALA 56 3HB ALA 56 7.616 -0.551 0.927 416 HB2 ALA 56 1HB ALA 56 7.776 -0.414 2.673 417 HB3 ALA 56 2HB ALA 56 8.675 0.684 1.621 418 H LYS 57 H LYS 57 7.109 3.575 1.599 419 HA LYS 57 HA LYS 57 6.217 3.970 -1.190 420 HB2 LYS 57 1HB LYS 57 6.976 6.421 -0.586 421 HB3 LYS 57 2HB LYS 57 5.534 5.785 0.168 422 HG2 LYS 57 1HG LYS 57 6.670 5.282 2.234 423 HG3 LYS 57 2HG LYS 57 8.256 5.556 1.518 424 HD2 LYS 57 1HD LYS 57 6.344 7.909 1.419 425 HD3 LYS 57 2HD LYS 57 6.926 7.470 3.021 426 HE2 LYS 57 1HE LYS 57 8.373 9.188 1.823 427 HE3 LYS 57 2HE LYS 57 9.245 7.742 2.339 428 HZ1 LYS 57 3HZ LYS 57 8.135 8.159 -0.383 429 HZ2 LYS 57 1HZ LYS 57 9.055 6.832 0.141 430 HZ3 LYS 57 2HZ LYS 57 9.765 8.373 0.048 431 H GLU 58 H GLU 58 9.197 3.913 0.704 432 HA GLU 58 HA GLU 58 10.972 4.973 -1.187 433 HB2 GLU 58 1HB GLU 58 12.711 3.660 0.085 434 HB3 GLU 58 2HB GLU 58 11.653 4.611 1.126 435 HG2 GLU 58 1HG GLU 58 10.285 2.592 1.597 436 HG3 GLU 58 2HG GLU 58 11.336 1.633 0.563 437 H TYR 59 H TYR 59 9.487 1.836 -0.915 438 HA TYR 59 HA TYR 59 11.135 0.272 -2.488 439 HB2 TYR 59 1HB TYR 59 8.711 -0.110 -1.216 440 HB3 TYR 59 2HB TYR 59 8.158 -0.131 -2.875 441 HD1 TYR 59 HD1 TYR 59 10.336 -1.791 -0.374 442 HD2 TYR 59 HD2 TYR 59 8.879 -1.946 -4.426 443 HE1 TYR 59 HE1 TYR 59 11.248 -4.071 -0.619 444 HE2 TYR 59 HE2 TYR 59 9.798 -4.241 -4.658 445 HH TYR 59 HH TYR 59 12.026 -5.497 -2.991 446 H ILE 60 H ILE 60 9.215 2.941 -3.397 447 HA ILE 60 HA ILE 60 8.946 2.266 -6.220 448 HB ILE 60 HB ILE 60 8.552 4.938 -4.785 449 HG12 ILE 60 1HG1 ILE 60 6.443 2.831 -5.517 450 HG13 ILE 60 2HG1 ILE 60 7.083 3.047 -3.895 451 HG21 ILE 60 1HG2 ILE 60 8.809 5.179 -7.240 452 HG22 ILE 60 2HG2 ILE 60 7.142 5.470 -6.794 453 HG23 ILE 60 3HG2 ILE 60 7.601 3.929 -7.508 454 HD11 ILE 60 3HD1 ILE 60 5.558 5.134 -5.480 455 HD12 ILE 60 1HD1 ILE 60 6.267 5.395 -3.887 456 HD13 ILE 60 2HD1 ILE 60 4.961 4.232 -4.090 Start of MODEL 10 1 H1 MET 1 1H MET 1 -3.675 10.834 -11.630 2 H2 MET 1 2H MET 1 -4.089 12.050 -12.743 3 H3 MET 1 3H MET 1 -5.251 11.463 -11.652 4 HA MET 1 HA MET 1 -3.329 13.532 -11.322 5 HB2 MET 1 1HB MET 1 -5.787 13.659 -10.845 6 HB3 MET 1 2HB MET 1 -5.574 12.533 -9.509 7 HG2 MET 1 1HG MET 1 -4.045 14.142 -8.391 8 HG3 MET 1 2HG MET 1 -4.225 15.255 -9.746 9 HE1 MET 1 3HE MET 1 -4.749 17.028 -8.010 10 HE2 MET 1 1HE MET 1 -4.758 15.909 -6.641 11 HE3 MET 1 2HE MET 1 -6.105 17.017 -6.886 12 H LYS 2 H LYS 2 -1.324 13.032 -10.602 13 HA LYS 2 HA LYS 2 0.375 12.144 -9.307 14 HB2 LYS 2 1HB LYS 2 -1.780 12.257 -7.160 15 HB3 LYS 2 2HB LYS 2 -0.044 12.191 -6.865 16 HG2 LYS 2 1HG LYS 2 -1.425 14.460 -8.376 17 HG3 LYS 2 2HG LYS 2 -1.057 14.513 -6.656 18 HD2 LYS 2 1HD LYS 2 1.363 14.247 -7.165 19 HD3 LYS 2 2HD LYS 2 1.007 14.236 -8.883 20 HE2 LYS 2 1HE LYS 2 0.056 16.499 -8.735 21 HE3 LYS 2 2HE LYS 2 0.419 16.533 -7.005 22 HZ1 LYS 2 3HZ LYS 2 2.783 15.932 -7.777 23 HZ2 LYS 2 1HZ LYS 2 2.260 17.538 -7.930 24 HZ3 LYS 2 2HZ LYS 2 2.278 16.518 -9.289 25 H THR 3 H THR 3 0.649 10.166 -10.283 26 HA THR 3 HA THR 3 -0.465 7.815 -8.820 27 HB THR 3 HB THR 3 -0.719 6.643 -10.947 28 HG1 THR 3 HG1 THR 3 0.784 8.724 -11.801 29 HG21 THR 3 3HG2 THR 3 -2.009 9.394 -11.101 30 HG22 THR 3 1HG2 THR 3 -2.626 8.054 -10.135 31 HG23 THR 3 2HG2 THR 3 -2.587 7.933 -11.895 32 H GLY 4 H GLY 4 0.823 5.935 -8.965 33 HA2 GLY 4 1HA GLY 4 3.648 6.243 -9.808 34 HA3 GLY 4 2HA GLY 4 3.300 5.894 -8.113 35 H ILE 5 H ILE 5 4.809 4.217 -9.686 36 HA ILE 5 HA ILE 5 3.016 1.889 -10.214 37 HB ILE 5 HB ILE 5 5.881 2.272 -11.202 38 HG12 ILE 5 1HG1 ILE 5 4.284 2.571 -13.478 39 HG13 ILE 5 2HG1 ILE 5 3.260 3.361 -12.290 40 HG21 ILE 5 1HG2 ILE 5 5.097 -0.071 -11.103 41 HG22 ILE 5 2HG2 ILE 5 5.225 0.456 -12.777 42 HG23 ILE 5 3HG2 ILE 5 3.644 0.354 -12.011 43 HD11 ILE 5 3HD1 ILE 5 4.698 5.028 -13.295 44 HD12 ILE 5 1HD1 ILE 5 6.135 4.058 -12.979 45 HD13 ILE 5 2HD1 ILE 5 5.252 4.788 -11.639 46 H VAL 6 H VAL 6 3.143 0.194 -8.921 47 HA VAL 6 HA VAL 6 4.844 0.203 -6.595 48 HB VAL 6 HB VAL 6 3.045 -1.998 -7.702 49 HG11 VAL 6 1HG1 VAL 6 3.048 -2.790 -5.302 50 HG12 VAL 6 2HG1 VAL 6 4.285 -1.586 -4.940 51 HG13 VAL 6 3HG1 VAL 6 4.637 -2.908 -6.052 52 HG21 VAL 6 3HG2 VAL 6 1.821 0.117 -7.255 53 HG22 VAL 6 1HG2 VAL 6 2.497 0.171 -5.627 54 HG23 VAL 6 2HG2 VAL 6 1.385 -1.118 -6.085 55 H ASN 7 H ASN 7 6.747 -0.785 -6.306 56 HA ASN 7 HA ASN 7 8.425 -1.577 -8.358 57 HB2 ASN 7 1HB ASN 7 8.411 -2.468 -5.453 58 HB3 ASN 7 2HB ASN 7 9.758 -2.754 -6.555 59 HD21 ASN 7 2HD2 ASN 7 8.021 0.254 -7.007 60 HD22 ASN 7 1HD2 ASN 7 9.199 1.252 -6.310 61 H VAL 8 H VAL 8 7.588 -2.971 -9.861 62 HA VAL 8 HA VAL 8 6.117 -5.327 -9.313 63 HB VAL 8 HB VAL 8 7.801 -4.817 -11.819 64 HG11 VAL 8 1HG1 VAL 8 5.209 -6.369 -11.344 65 HG12 VAL 8 2HG1 VAL 8 6.776 -7.057 -11.754 66 HG13 VAL 8 3HG1 VAL 8 5.923 -6.077 -12.929 67 HG21 VAL 8 3HG2 VAL 8 6.525 -2.772 -11.422 68 HG22 VAL 8 1HG2 VAL 8 5.063 -3.689 -11.071 69 HG23 VAL 8 2HG2 VAL 8 5.720 -3.663 -12.708 70 H SER 9 H SER 9 9.310 -4.631 -8.693 71 HA SER 9 HA SER 9 10.782 -6.878 -9.398 72 HB2 SER 9 1HB SER 9 10.953 -5.269 -6.826 73 HB3 SER 9 2HB SER 9 12.219 -6.325 -7.449 74 HG SER 9 HG SER 9 11.155 -4.361 -9.134 75 H SER 10 H SER 10 8.870 -6.369 -6.429 76 HA SER 10 HA SER 10 8.310 -9.251 -6.242 77 HB2 SER 10 1HB SER 10 9.124 -9.432 -3.956 78 HB3 SER 10 2HB SER 10 10.446 -8.862 -4.974 79 HG SER 10 HG SER 10 9.115 -7.621 -2.924 80 H SER 11 H SER 11 6.810 -9.677 -4.394 81 HA SER 11 HA SER 11 4.580 -7.803 -4.555 82 HB2 SER 11 1HB SER 11 3.371 -9.482 -3.254 83 HB3 SER 11 2HB SER 11 4.295 -10.295 -4.517 84 HG SER 11 HG SER 11 5.719 -9.909 -2.225 85 H LEU 12 H LEU 12 3.634 -6.715 -2.812 86 HA LEU 12 HA LEU 12 5.356 -6.284 -0.408 87 HB2 LEU 12 1HB LEU 12 4.220 -4.320 -2.345 88 HB3 LEU 12 2HB LEU 12 3.786 -3.935 -0.688 89 HG LEU 12 HG LEU 12 6.284 -4.122 -0.091 90 HD11 LEU 12 1HD1 LEU 12 6.575 -4.120 -3.117 91 HD12 LEU 12 2HD1 LEU 12 6.984 -5.458 -2.047 92 HD13 LEU 12 3HD1 LEU 12 7.892 -3.957 -1.960 93 HD21 LEU 12 3HD2 LEU 12 6.842 -1.889 -0.993 94 HD22 LEU 12 1HD2 LEU 12 5.185 -1.939 -0.396 95 HD23 LEU 12 2HD2 LEU 12 5.497 -2.010 -2.131 96 H ASN 13 H ASN 13 4.429 -6.082 1.534 97 HA ASN 13 HA ASN 13 1.702 -7.192 1.823 98 HB2 ASN 13 1HB ASN 13 3.933 -6.744 3.849 99 HB3 ASN 13 2HB ASN 13 2.397 -7.554 4.168 100 HD21 ASN 13 2HD2 ASN 13 5.591 -8.214 3.440 101 HD22 ASN 13 1HD2 ASN 13 5.396 -9.731 2.704 102 H VAL 14 H VAL 14 0.125 -6.163 2.994 103 HA VAL 14 HA VAL 14 0.402 -3.217 3.216 104 HB VAL 14 HB VAL 14 -2.109 -4.924 3.502 105 HG11 VAL 14 1HG1 VAL 14 -1.711 -1.947 2.952 106 HG12 VAL 14 2HG1 VAL 14 -2.239 -2.626 4.485 107 HG13 VAL 14 3HG1 VAL 14 -3.263 -2.782 3.063 108 HG21 VAL 14 3HG2 VAL 14 -0.974 -3.472 1.066 109 HG22 VAL 14 1HG2 VAL 14 -2.558 -4.248 1.141 110 HG23 VAL 14 2HG2 VAL 14 -1.096 -5.222 1.250 111 H ARG 15 H ARG 15 1.337 -2.681 5.111 112 HA ARG 15 HA ARG 15 0.857 -4.126 7.587 113 HB2 ARG 15 1HB ARG 15 2.299 -1.508 6.994 114 HB3 ARG 15 2HB ARG 15 2.311 -2.332 8.555 115 HG2 ARG 15 1HG ARG 15 3.343 -4.329 7.500 116 HG3 ARG 15 2HG ARG 15 3.323 -3.509 5.941 117 HD2 ARG 15 1HD ARG 15 4.817 -2.526 8.396 118 HD3 ARG 15 2HD ARG 15 5.556 -3.367 7.035 119 HE ARG 15 HE ARG 15 4.157 -1.166 5.998 120 HH11 ARG 15 1HH2 ARG 15 6.860 -1.825 8.082 121 HH12 ARG 15 2HH2 ARG 15 7.699 -0.366 7.674 122 HH21 ARG 15 1HH1 ARG 15 5.255 0.742 5.476 123 HH22 ARG 15 2HH1 ARG 15 6.790 1.085 6.202 124 H SER 16 H SER 16 -0.539 -3.610 9.159 125 HA SER 16 HA SER 16 -2.761 -1.913 8.671 126 HB2 SER 16 1HB SER 16 -2.843 -3.855 10.197 127 HB3 SER 16 2HB SER 16 -1.745 -3.039 11.306 128 HG SER 16 HG SER 16 -3.315 -1.384 11.493 129 H SER 17 H SER 17 0.354 -1.369 10.126 130 HA SER 17 HA SER 17 -0.234 1.525 10.391 131 HB2 SER 17 1HB SER 17 -0.687 0.566 12.619 132 HB3 SER 17 2HB SER 17 0.908 -0.180 12.631 133 HG SER 17 HG SER 17 1.239 1.710 13.630 134 H ALA 18 H ALA 18 1.957 2.538 11.310 135 HA ALA 18 HA ALA 18 3.952 1.970 9.249 136 HB1 ALA 18 3HB ALA 18 4.161 4.009 11.506 137 HB2 ALA 18 1HB ALA 18 3.221 4.278 10.057 138 HB3 ALA 18 2HB ALA 18 4.955 4.049 9.928 139 H SER 19 H SER 19 3.925 -0.288 10.559 140 HA SER 19 HA SER 19 6.535 -0.417 11.873 141 HB2 SER 19 1HB SER 19 5.056 0.082 13.777 142 HB3 SER 19 2HB SER 19 4.001 -1.255 13.332 143 HG SER 19 HG SER 19 6.429 -1.252 14.615 144 H THR 20 H THR 20 7.507 -2.328 11.510 145 HA THR 20 HA THR 20 6.404 -4.178 9.630 146 HB THR 20 HB THR 20 8.810 -3.813 9.726 147 HG1 THR 20 HG1 THR 20 8.309 -6.398 10.758 148 HG21 THR 20 3HG2 THR 20 8.975 -3.312 12.178 149 HG22 THR 20 1HG2 THR 20 10.163 -4.501 11.653 150 HG23 THR 20 2HG2 THR 20 8.726 -5.023 12.517 151 H SER 21 H SER 21 6.635 -4.113 13.135 152 HA SER 21 HA SER 21 5.955 -6.857 13.599 153 HB2 SER 21 1HB SER 21 5.609 -6.150 15.913 154 HB3 SER 21 2HB SER 21 7.058 -5.375 15.273 155 HG SER 21 HG SER 21 5.623 -3.568 14.758 156 H SER 22 H SER 22 4.179 -4.380 12.265 157 HA SER 22 HA SER 22 1.632 -4.613 13.464 158 HB2 SER 22 1HB SER 22 0.768 -3.649 11.363 159 HB3 SER 22 2HB SER 22 2.237 -2.816 11.865 160 HG SER 22 HG SER 22 3.381 -4.204 10.417 161 H LYS 23 H LYS 23 -0.199 -5.340 11.646 162 HA LYS 23 HA LYS 23 0.312 -8.254 11.150 163 HB2 LYS 23 1HB LYS 23 -2.363 -6.943 11.784 164 HB3 LYS 23 2HB LYS 23 -2.026 -8.666 11.618 165 HG2 LYS 23 1HG LYS 23 -1.780 -8.611 13.947 166 HG3 LYS 23 2HG LYS 23 -0.165 -8.012 13.587 167 HD2 LYS 23 1HD LYS 23 -1.050 -5.661 13.714 168 HD3 LYS 23 2HD LYS 23 -2.629 -6.305 14.155 169 HE2 LYS 23 1HE LYS 23 -1.630 -7.369 16.165 170 HE3 LYS 23 2HE LYS 23 -0.059 -6.688 15.730 171 HZ1 LYS 23 3HZ LYS 23 -2.222 -5.449 17.064 172 HZ2 LYS 23 1HZ LYS 23 -1.881 -4.606 15.632 173 HZ3 LYS 23 2HZ LYS 23 -0.656 -4.851 16.784 174 H VAL 24 H VAL 24 -0.474 -9.166 9.288 175 HA VAL 24 HA VAL 24 -0.728 -7.354 7.021 176 HB VAL 24 HB VAL 24 -0.892 -10.409 7.049 177 HG11 VAL 24 1HG1 VAL 24 -0.181 -8.410 4.850 178 HG12 VAL 24 2HG1 VAL 24 -1.685 -9.323 4.952 179 HG13 VAL 24 3HG1 VAL 24 -0.165 -10.166 4.681 180 HG21 VAL 24 3HG2 VAL 24 1.224 -9.661 8.102 181 HG22 VAL 24 1HG2 VAL 24 1.534 -8.580 6.742 182 HG23 VAL 24 2HG2 VAL 24 1.544 -10.327 6.506 183 H ILE 25 H ILE 25 -2.629 -6.499 6.533 184 HA ILE 25 HA ILE 25 -5.171 -7.864 7.255 185 HB ILE 25 HB ILE 25 -6.198 -5.652 6.682 186 HG12 ILE 25 1HG1 ILE 25 -3.307 -4.671 6.410 187 HG13 ILE 25 2HG1 ILE 25 -4.361 -4.953 5.033 188 HG21 ILE 25 1HG2 ILE 25 -5.506 -6.169 9.014 189 HG22 ILE 25 2HG2 ILE 25 -5.307 -4.455 8.671 190 HG23 ILE 25 3HG2 ILE 25 -3.901 -5.518 8.685 191 HD11 ILE 25 3HD1 ILE 25 -4.858 -2.956 7.262 192 HD12 ILE 25 1HD1 ILE 25 -5.977 -3.292 5.940 193 HD13 ILE 25 2HD1 ILE 25 -4.403 -2.590 5.605 194 H GLY 26 H GLY 26 -3.102 -7.324 4.594 195 HA2 GLY 26 1HA GLY 26 -4.580 -8.925 2.826 196 HA3 GLY 26 2HA GLY 26 -4.927 -7.237 2.448 197 H SER 27 H SER 27 -3.701 -8.850 0.603 198 HA SER 27 HA SER 27 -0.866 -7.869 0.533 199 HB2 SER 27 1HB SER 27 -2.056 -10.335 -0.781 200 HB3 SER 27 2HB SER 27 -0.383 -9.794 -0.922 201 HG SER 27 HG SER 27 -0.182 -10.047 1.323 202 H LEU 28 H LEU 28 -0.266 -6.651 -1.132 203 HA LEU 28 HA LEU 28 -2.310 -5.925 -3.171 204 HB2 LEU 28 1HB LEU 28 -0.934 -4.221 -1.612 205 HB3 LEU 28 2HB LEU 28 0.327 -4.449 -2.811 206 HG LEU 28 HG LEU 28 -1.705 -3.934 -4.549 207 HD11 LEU 28 1HD1 LEU 28 -3.309 -2.321 -3.678 208 HD12 LEU 28 2HD1 LEU 28 -2.601 -2.423 -2.067 209 HD13 LEU 28 3HD1 LEU 28 -3.437 -3.812 -2.753 210 HD21 LEU 28 3HD2 LEU 28 0.322 -2.557 -4.401 211 HD22 LEU 28 1HD2 LEU 28 -0.299 -1.755 -2.959 212 HD23 LEU 28 2HD2 LEU 28 -1.098 -1.521 -4.517 213 H SER 29 H SER 29 -1.621 -5.633 -5.356 214 HA SER 29 HA SER 29 0.299 -7.732 -6.230 215 HB2 SER 29 1HB SER 29 -1.897 -6.278 -7.743 216 HB3 SER 29 2HB SER 29 -0.889 -7.579 -8.381 217 HG SER 29 HG SER 29 -1.931 -8.993 -7.161 218 H GLY 30 H GLY 30 1.945 -7.266 -7.646 219 HA2 GLY 30 1HA GLY 30 3.034 -4.599 -7.594 220 HA3 GLY 30 2HA GLY 30 3.695 -5.987 -8.448 221 H ASN 31 H ASN 31 3.392 -3.234 -9.376 222 HA ASN 31 HA ASN 31 3.005 -2.217 -11.393 223 HB2 ASN 31 1HB ASN 31 3.215 -4.696 -12.303 224 HB3 ASN 31 2HB ASN 31 1.471 -4.634 -12.460 225 HD21 ASN 31 2HD2 ASN 31 4.283 -2.531 -13.298 226 HD22 ASN 31 1HD2 ASN 31 3.683 -2.110 -14.828 227 H THR 32 H THR 32 0.973 -2.667 -9.077 228 HA THR 32 HA THR 32 -1.602 -2.144 -10.372 229 HB THR 32 HB THR 32 -0.839 -2.100 -7.424 230 HG1 THR 32 HG1 THR 32 -1.681 -4.053 -9.239 231 HG21 THR 32 3HG2 THR 32 -3.549 -2.122 -8.829 232 HG22 THR 32 1HG2 THR 32 -2.924 -0.844 -7.781 233 HG23 THR 32 2HG2 THR 32 -3.312 -2.424 -7.112 234 H LYS 33 H LYS 33 -2.570 -0.206 -10.611 235 HA LYS 33 HA LYS 33 -0.987 2.237 -10.094 236 HB2 LYS 33 1HB LYS 33 -3.564 1.782 -11.652 237 HB3 LYS 33 2HB LYS 33 -2.694 3.317 -11.541 238 HG2 LYS 33 1HG LYS 33 -0.686 2.241 -12.554 239 HG3 LYS 33 2HG LYS 33 -1.585 0.726 -12.702 240 HD2 LYS 33 1HD LYS 33 -3.248 1.872 -14.173 241 HD3 LYS 33 2HD LYS 33 -2.313 3.365 -14.044 242 HE2 LYS 33 1HE LYS 33 -1.320 0.740 -15.225 243 HE3 LYS 33 2HE LYS 33 -1.742 2.193 -16.136 244 HZ1 LYS 33 3HZ LYS 33 -0.025 3.246 -14.463 245 HZ2 LYS 33 1HZ LYS 33 0.479 2.516 -15.908 246 HZ3 LYS 33 2HZ LYS 33 0.582 1.660 -14.443 247 H VAL 34 H VAL 34 -1.678 3.897 -8.824 248 HA VAL 34 HA VAL 34 -4.276 3.846 -7.496 249 HB VAL 34 HB VAL 34 -3.001 2.308 -6.083 250 HG11 VAL 34 1HG1 VAL 34 -0.714 3.068 -6.699 251 HG12 VAL 34 2HG1 VAL 34 -0.925 2.984 -4.951 252 HG13 VAL 34 3HG1 VAL 34 -0.958 4.544 -5.765 253 HG21 VAL 34 3HG2 VAL 34 -4.563 3.973 -5.004 254 HG22 VAL 34 1HG2 VAL 34 -3.180 5.026 -4.697 255 HG23 VAL 34 2HG2 VAL 34 -3.267 3.446 -3.943 256 H THR 35 H THR 35 -4.915 5.842 -6.903 257 HA THR 35 HA THR 35 -3.291 8.119 -7.736 258 HB THR 35 HB THR 35 -5.307 9.420 -7.255 259 HG1 THR 35 HG1 THR 35 -6.915 8.620 -6.091 260 HG21 THR 35 3HG2 THR 35 -6.882 8.315 -8.785 261 HG22 THR 35 1HG2 THR 35 -6.059 6.773 -8.551 262 HG23 THR 35 2HG2 THR 35 -5.238 8.093 -9.384 263 H ILE 36 H ILE 36 -1.584 7.871 -6.177 264 HA ILE 36 HA ILE 36 -1.763 7.763 -3.419 265 HB ILE 36 HB ILE 36 0.217 9.427 -5.033 266 HG12 ILE 36 1HG1 ILE 36 0.553 6.553 -4.012 267 HG13 ILE 36 2HG1 ILE 36 0.037 6.932 -5.653 268 HG21 ILE 36 1HG2 ILE 36 0.524 10.101 -2.735 269 HG22 ILE 36 2HG2 ILE 36 1.737 8.860 -2.946 270 HG23 ILE 36 3HG2 ILE 36 0.232 8.476 -2.120 271 HD11 ILE 36 3HD1 ILE 36 2.657 7.817 -4.399 272 HD12 ILE 36 1HD1 ILE 36 2.123 8.193 -6.037 273 HD13 ILE 36 2HD1 ILE 36 2.463 6.526 -5.583 274 H VAL 37 H VAL 37 -1.329 9.589 -1.843 275 HA VAL 37 HA VAL 37 -2.839 12.076 -2.548 276 HB VAL 37 HB VAL 37 -3.065 10.521 0.069 277 HG11 VAL 37 1HG1 VAL 37 -4.570 12.950 -0.990 278 HG12 VAL 37 2HG1 VAL 37 -3.401 12.964 0.331 279 HG13 VAL 37 3HG1 VAL 37 -4.928 12.113 0.520 280 HG21 VAL 37 3HG2 VAL 37 -5.372 9.988 -0.696 281 HG22 VAL 37 1HG2 VAL 37 -4.156 9.278 -1.755 282 HG23 VAL 37 2HG2 VAL 37 -5.017 10.733 -2.256 283 H GLY 38 H GLY 38 -1.563 11.311 0.609 284 HA2 GLY 38 1HA GLY 38 0.545 13.413 0.291 285 HA3 GLY 38 2HA GLY 38 -0.409 13.160 1.745 286 H GLU 39 H GLU 39 1.569 12.947 2.871 287 HA GLU 39 HA GLU 39 2.619 10.176 2.823 288 HB2 GLU 39 1HB GLU 39 4.139 11.677 1.458 289 HB3 GLU 39 2HB GLU 39 4.457 12.601 2.925 290 HG2 GLU 39 1HG GLU 39 5.305 10.513 4.023 291 HG3 GLU 39 2HG GLU 39 5.020 9.629 2.527 292 H GLU 40 H GLU 40 3.257 9.403 4.790 293 HA GLU 40 HA GLU 40 3.302 11.183 7.138 294 HB2 GLU 40 1HB GLU 40 0.923 10.547 6.944 295 HB3 GLU 40 2HB GLU 40 1.368 8.853 6.850 296 HG2 GLU 40 1HG GLU 40 0.592 9.439 9.135 297 HG3 GLU 40 2HG GLU 40 2.273 8.944 9.179 298 H GLY 41 H GLY 41 5.017 10.656 8.288 299 HA2 GLY 41 1HA GLY 41 6.776 9.485 9.176 300 HA3 GLY 41 2HA GLY 41 5.644 8.143 9.302 301 H ALA 42 H ALA 42 6.624 6.381 8.486 302 HA ALA 42 HA ALA 42 8.335 6.580 6.068 303 HB1 ALA 42 3HB ALA 42 7.975 4.307 8.049 304 HB2 ALA 42 1HB ALA 42 9.306 5.463 8.050 305 HB3 ALA 42 2HB ALA 42 9.119 4.336 6.701 306 H PHE 43 H PHE 43 5.425 6.800 5.895 307 HA PHE 43 HA PHE 43 4.997 4.803 3.831 308 HB2 PHE 43 1HB PHE 43 3.105 3.684 4.779 309 HB3 PHE 43 2HB PHE 43 4.310 3.671 6.054 310 HD1 PHE 43 HD1 PHE 43 4.143 5.307 7.984 311 HD2 PHE 43 HD2 PHE 43 1.065 5.020 5.016 312 HE1 PHE 43 HE1 PHE 43 2.590 6.551 9.463 313 HE2 PHE 43 HE2 PHE 43 -0.496 6.238 6.499 314 HZ PHE 43 HZ PHE 43 0.272 7.012 8.725 315 H TYR 44 H TYR 44 2.824 5.098 2.843 316 HA TYR 44 HA TYR 44 1.805 7.893 2.995 317 HB2 TYR 44 1HB TYR 44 1.640 7.892 0.525 318 HB3 TYR 44 2HB TYR 44 3.306 7.734 1.065 319 HD1 TYR 44 HD1 TYR 44 4.146 5.207 1.445 320 HD2 TYR 44 HD2 TYR 44 0.913 6.302 -1.172 321 HE1 TYR 44 HE1 TYR 44 4.441 3.107 0.222 322 HE2 TYR 44 HE2 TYR 44 1.242 4.183 -2.411 323 HH TYR 44 HH TYR 44 3.813 1.904 -1.503 324 H LYS 45 H LYS 45 -0.299 8.152 2.006 325 HA LYS 45 HA LYS 45 -2.077 5.986 2.896 326 HB2 LYS 45 1HB LYS 45 -2.547 8.379 3.475 327 HB3 LYS 45 2HB LYS 45 -2.797 8.734 1.767 328 HG2 LYS 45 1HG LYS 45 -4.659 7.074 1.697 329 HG3 LYS 45 2HG LYS 45 -4.389 6.709 3.402 330 HD2 LYS 45 1HD LYS 45 -4.935 9.066 3.979 331 HD3 LYS 45 2HD LYS 45 -5.211 9.416 2.270 332 HE2 LYS 45 1HE LYS 45 -7.355 8.965 3.433 333 HE3 LYS 45 2HE LYS 45 -7.032 7.721 2.221 334 HZ1 LYS 45 3HZ LYS 45 -6.913 6.168 3.786 335 HZ2 LYS 45 1HZ LYS 45 -7.539 7.307 4.878 336 HZ3 LYS 45 2HZ LYS 45 -5.859 7.092 4.747 337 H ILE 46 H ILE 46 -3.431 4.833 1.597 338 HA ILE 46 HA ILE 46 -3.472 5.293 -1.323 339 HB ILE 46 HB ILE 46 -3.088 2.790 -1.644 340 HG12 ILE 46 1HG1 ILE 46 -1.934 2.897 1.177 341 HG13 ILE 46 2HG1 ILE 46 -3.524 2.224 0.831 342 HG21 ILE 46 1HG2 ILE 46 -1.294 4.475 -2.095 343 HG22 ILE 46 2HG2 ILE 46 -0.637 2.947 -1.519 344 HG23 ILE 46 3HG2 ILE 46 -0.749 4.320 -0.424 345 HD11 ILE 46 3HD1 ILE 46 -0.939 1.234 -0.426 346 HD12 ILE 46 1HD1 ILE 46 -2.545 0.546 -0.646 347 HD13 ILE 46 2HD1 ILE 46 -1.763 0.472 0.931 348 H GLU 47 H GLU 47 -5.163 4.243 -2.388 349 HA GLU 47 HA GLU 47 -7.459 3.371 -0.675 350 HB2 GLU 47 1HB GLU 47 -8.871 4.494 -2.551 351 HB3 GLU 47 2HB GLU 47 -8.085 5.560 -1.389 352 HG2 GLU 47 1HG GLU 47 -6.257 6.026 -2.961 353 HG3 GLU 47 2HG GLU 47 -6.913 4.882 -4.122 354 H TYR 48 H TYR 48 -7.112 1.203 -1.000 355 HA TYR 48 HA TYR 48 -7.626 0.209 -3.768 356 HB2 TYR 48 1HB TYR 48 -5.194 -0.067 -2.867 357 HB3 TYR 48 2HB TYR 48 -5.852 -1.260 -1.757 358 HD1 TYR 48 HD1 TYR 48 -5.803 -0.331 -5.408 359 HD2 TYR 48 HD2 TYR 48 -6.161 -3.555 -2.564 360 HE1 TYR 48 HE1 TYR 48 -5.829 -1.975 -7.259 361 HE2 TYR 48 HE2 TYR 48 -6.183 -5.186 -4.434 362 HH TYR 48 HH TYR 48 -6.943 -4.674 -7.307 363 H LYS 49 H LYS 49 -8.928 -1.581 -3.942 364 HA LYS 49 HA LYS 49 -10.748 -2.882 -3.422 365 HB2 LYS 49 1HB LYS 49 -8.873 -3.305 -1.068 366 HB3 LYS 49 2HB LYS 49 -10.462 -4.050 -1.032 367 HG2 LYS 49 1HG LYS 49 -10.009 -5.308 -3.065 368 HG3 LYS 49 2HG LYS 49 -8.518 -4.426 -3.341 369 HD2 LYS 49 1HD LYS 49 -8.037 -6.660 -2.399 370 HD3 LYS 49 2HD LYS 49 -7.534 -5.397 -1.281 371 HE2 LYS 49 1HE LYS 49 -9.404 -5.822 0.181 372 HE3 LYS 49 2HE LYS 49 -10.254 -6.759 -1.055 373 HZ1 LYS 49 3HZ LYS 49 -9.348 -8.485 -0.000 374 HZ2 LYS 49 1HZ LYS 49 -8.148 -7.552 0.753 375 HZ3 LYS 49 2HZ LYS 49 -7.932 -8.081 -0.847 376 H GLY 50 H GLY 50 -10.590 0.053 -2.480 377 HA2 GLY 50 1HA GLY 50 -12.119 1.528 -1.584 378 HA3 GLY 50 2HA GLY 50 -13.204 0.173 -1.279 379 H SER 51 H SER 51 -10.269 -0.619 0.026 380 HA SER 51 HA SER 51 -11.044 0.212 2.773 381 HB2 SER 51 1HB SER 51 -10.839 -2.222 2.408 382 HB3 SER 51 2HB SER 51 -9.190 -2.006 1.830 383 HG SER 51 HG SER 51 -9.876 -2.396 4.271 384 H HIS 52 H HIS 52 -9.104 0.454 4.233 385 HA HIS 52 HA HIS 52 -7.133 2.301 2.961 386 HB2 HIS 52 1HB HIS 52 -6.837 3.190 5.253 387 HB3 HIS 52 2HB HIS 52 -8.515 3.292 4.724 388 HD1 HIS 52 HD1 HIS 52 -10.137 1.349 5.630 389 HD2 HIS 52 HD2 HIS 52 -6.468 1.694 7.571 390 HE1 HIS 52 HE1 HIS 52 -10.360 0.078 7.808 391 HE2 HIS 52 HE2 HIS 52 -8.129 0.280 9.005 392 H GLY 53 H GLY 53 -4.995 1.932 3.090 393 HA2 GLY 53 1HA GLY 53 -3.869 -0.162 4.846 394 HA3 GLY 53 2HA GLY 53 -3.727 -0.389 3.104 395 H TYR 54 H TYR 54 -1.490 -0.215 4.675 396 HA TYR 54 HA TYR 54 -0.261 2.317 3.697 397 HB2 TYR 54 1HB TYR 54 0.388 1.119 6.424 398 HB3 TYR 54 2HB TYR 54 0.906 2.661 5.770 399 HD1 TYR 54 HD1 TYR 54 -1.161 4.234 4.890 400 HD2 TYR 54 HD2 TYR 54 -1.470 1.222 7.944 401 HE1 TYR 54 HE1 TYR 54 -3.175 5.345 5.795 402 HE2 TYR 54 HE2 TYR 54 -3.486 2.338 8.837 403 HH TYR 54 HH TYR 54 -4.482 4.588 8.832 404 H VAL 55 H VAL 55 1.929 2.193 3.235 405 HA VAL 55 HA VAL 55 3.313 -0.394 3.366 406 HB VAL 55 HB VAL 55 3.759 0.257 0.653 407 HG11 VAL 55 1HG1 VAL 55 2.312 -1.685 0.120 408 HG12 VAL 55 2HG1 VAL 55 1.639 -1.629 1.750 409 HG13 VAL 55 3HG1 VAL 55 3.343 -2.016 1.513 410 HG21 VAL 55 3HG2 VAL 55 1.623 0.758 -0.398 411 HG22 VAL 55 1HG2 VAL 55 1.860 1.965 0.866 412 HG23 VAL 55 2HG2 VAL 55 0.768 0.618 1.136 413 H ALA 56 H ALA 56 5.514 -0.262 3.018 414 HA ALA 56 HA ALA 56 6.747 2.107 3.940 415 HB1 ALA 56 3HB ALA 56 7.997 -0.256 2.490 416 HB2 ALA 56 1HB ALA 56 7.699 -0.163 4.225 417 HB3 ALA 56 2HB ALA 56 8.853 0.937 3.473 418 H LYS 57 H LYS 57 7.294 3.892 2.894 419 HA LYS 57 HA LYS 57 6.894 4.177 0.024 420 HB2 LYS 57 1HB LYS 57 7.620 6.559 0.461 421 HB3 LYS 57 2HB LYS 57 6.268 6.055 1.448 422 HG2 LYS 57 1HG LYS 57 7.758 5.589 3.340 423 HG3 LYS 57 2HG LYS 57 9.147 6.055 2.378 424 HD2 LYS 57 1HD LYS 57 7.455 8.321 2.170 425 HD3 LYS 57 2HD LYS 57 7.191 7.779 3.822 426 HE2 LYS 57 1HE LYS 57 9.852 8.527 2.538 427 HE3 LYS 57 2HE LYS 57 9.039 9.347 3.876 428 HZ1 LYS 57 3HZ LYS 57 9.588 6.509 4.224 429 HZ2 LYS 57 1HZ LYS 57 9.695 7.780 5.341 430 HZ3 LYS 57 2HZ LYS 57 10.944 7.535 4.213 431 H GLU 58 H GLU 58 9.599 3.802 2.226 432 HA GLU 58 HA GLU 58 11.706 4.686 0.625 433 HB2 GLU 58 1HB GLU 58 11.877 4.002 3.036 434 HB3 GLU 58 2HB GLU 58 11.756 2.315 2.542 435 HG2 GLU 58 1HG GLU 58 13.827 2.571 1.180 436 HG3 GLU 58 2HG GLU 58 13.934 4.259 1.667 437 H TYR 59 H TYR 59 9.944 1.649 0.588 438 HA TYR 59 HA TYR 59 11.648 0.179 -1.136 439 HB2 TYR 59 1HB TYR 59 8.718 0.052 -0.373 440 HB3 TYR 59 2HB TYR 59 9.262 -0.950 -1.714 441 HD1 TYR 59 HD1 TYR 59 10.353 0.012 1.771 442 HD2 TYR 59 HD2 TYR 59 10.055 -3.158 -1.132 443 HE1 TYR 59 HE1 TYR 59 11.257 -1.599 3.419 444 HE2 TYR 59 HE2 TYR 59 10.954 -4.756 0.528 445 HH TYR 59 HH TYR 59 12.610 -3.977 3.100 446 H ILE 60 H ILE 60 8.992 2.434 -1.813 447 HA ILE 60 HA ILE 60 9.361 2.138 -4.721 448 HB ILE 60 HB ILE 60 7.442 3.931 -3.171 449 HG12 ILE 60 1HG1 ILE 60 6.907 1.199 -4.455 450 HG13 ILE 60 2HG1 ILE 60 7.129 1.439 -2.727 451 HG21 ILE 60 1HG2 ILE 60 6.211 4.001 -5.350 452 HG22 ILE 60 2HG2 ILE 60 7.479 3.029 -6.089 453 HG23 ILE 60 3HG2 ILE 60 7.831 4.658 -5.521 454 HD11 ILE 60 3HD1 ILE 60 5.194 2.966 -2.684 455 HD12 ILE 60 1HD1 ILE 60 4.759 1.354 -3.252 456 HD13 ILE 60 2HD1 ILE 60 4.926 2.675 -4.403
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