NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18116 | 2dia | 10335 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 15.344 28.277 -16.346 2 HA2 GLY 1 1HA GLY 1 17.608 27.667 -14.624 3 HA3 GLY 1 2HA GLY 1 16.358 28.863 -14.320 4 H SER 2 H SER 2 17.418 25.649 -13.769 5 HA SER 2 HA SER 2 14.900 24.964 -12.421 6 HB2 SER 2 1HB SER 2 15.784 22.647 -12.390 7 HB3 SER 2 2HB SER 2 15.679 23.299 -14.025 8 HG SER 2 HG SER 2 17.685 22.206 -13.527 9 H SER 3 H SER 3 15.009 25.923 -10.451 10 HA SER 3 HA SER 3 17.402 25.437 -8.814 11 HB2 SER 3 1HB SER 3 15.347 27.600 -8.871 12 HB3 SER 3 2HB SER 3 16.099 27.211 -7.323 13 HG SER 3 HG SER 3 18.151 27.428 -8.547 14 H GLY 4 H GLY 4 16.780 23.258 -8.338 15 HA2 GLY 4 1HA GLY 4 14.506 23.071 -6.461 16 HA3 GLY 4 2HA GLY 4 15.034 21.749 -7.491 17 H SER 5 H SER 5 14.776 22.120 -4.494 18 HA SER 5 HA SER 5 17.365 20.927 -3.848 19 HB2 SER 5 1HB SER 5 17.619 22.296 -1.835 20 HB3 SER 5 2HB SER 5 17.563 23.321 -3.268 21 HG SER 5 HG SER 5 15.747 23.069 -1.185 22 H SER 6 H SER 6 17.337 19.550 -2.034 23 HA SER 6 HA SER 6 14.771 18.335 -1.551 24 HB2 SER 6 1HB SER 6 16.150 16.767 -0.104 25 HB3 SER 6 2HB SER 6 16.604 16.828 -1.806 26 HG SER 6 HG SER 6 18.517 17.216 -1.014 27 H GLY 7 H GLY 7 13.426 19.335 -0.187 28 HA2 GLY 7 1HA GLY 7 14.342 20.928 2.012 29 HA3 GLY 7 2HA GLY 7 12.672 20.521 1.645 30 HA PRO 8 HA PRO 8 13.846 18.311 5.536 31 HB2 PRO 8 1HB PRO 8 11.544 18.913 6.843 32 HB3 PRO 8 2HB PRO 8 12.949 19.986 6.828 33 HG2 PRO 8 1HG PRO 8 10.457 20.105 5.174 34 HG3 PRO 8 2HG PRO 8 11.333 21.423 5.974 35 HD2 PRO 8 1HD PRO 8 11.575 20.910 3.327 36 HD3 PRO 8 2HD PRO 8 12.910 21.561 4.299 37 H PHE 9 H PHE 9 13.082 16.330 6.267 38 HA PHE 9 HA PHE 9 11.472 14.856 4.419 39 HB2 PHE 9 1HB PHE 9 13.083 13.485 5.325 40 HB3 PHE 9 2HB PHE 9 12.982 14.237 6.914 41 HD1 PHE 9 2HD PHE 9 11.216 13.589 8.484 42 HD2 PHE 9 1HD PHE 9 11.697 11.637 4.732 43 HE1 PHE 9 2HE PHE 9 9.811 11.731 9.275 44 HE2 PHE 9 1HE PHE 9 10.292 9.776 5.517 45 HZ PHE 9 HZ PHE 9 9.348 9.820 7.791 46 H ASP 10 H ASP 10 9.477 13.843 4.802 47 HA ASP 10 HA ASP 10 7.982 14.138 7.181 48 HB2 ASP 10 1HB ASP 10 7.653 16.228 5.079 49 HB3 ASP 10 2HB ASP 10 6.207 15.646 5.899 50 HA PRO 11 HA PRO 11 6.199 10.766 4.872 51 HB2 PRO 11 1HB PRO 11 4.615 9.871 6.887 52 HB3 PRO 11 2HB PRO 11 6.352 9.554 6.818 53 HG2 PRO 11 1HG PRO 11 4.866 11.629 8.382 54 HG3 PRO 11 2HG PRO 11 6.211 10.594 8.893 55 HD2 PRO 11 1HD PRO 11 6.557 13.179 8.165 56 HD3 PRO 11 2HD PRO 11 7.792 11.935 7.884 57 H SER 12 H SER 12 4.488 13.342 6.486 58 HA SER 12 HA SER 12 1.880 12.681 5.577 59 HB2 SER 12 1HB SER 12 2.968 15.390 6.379 60 HB3 SER 12 2HB SER 12 1.267 14.937 6.281 61 HG SER 12 HG SER 12 1.424 14.069 8.183 62 H LYS 13 H LYS 13 4.547 14.487 4.218 63 HA LYS 13 HA LYS 13 3.128 15.804 2.162 64 HB2 LYS 13 1HB LYS 13 6.014 14.923 2.056 65 HB3 LYS 13 2HB LYS 13 5.271 16.257 1.182 66 HG2 LYS 13 1HG LYS 13 5.318 16.223 4.174 67 HG3 LYS 13 2HG LYS 13 6.714 16.773 3.245 68 HD2 LYS 13 1HD LYS 13 5.624 18.763 3.497 69 HD3 LYS 13 2HD LYS 13 4.861 18.205 2.006 70 HE2 LYS 13 1HE LYS 13 2.997 18.754 3.200 71 HE3 LYS 13 2HE LYS 13 3.185 17.078 3.712 72 HZ1 LYS 13 1HZ LYS 13 2.810 18.409 5.631 73 HZ2 LYS 13 2HZ LYS 13 4.023 19.505 5.198 74 HZ3 LYS 13 3HZ LYS 13 4.433 17.931 5.662 75 H VAL 14 H VAL 14 4.191 12.549 2.548 76 HA VAL 14 HA VAL 14 4.276 11.824 -0.203 77 HB VAL 14 HB VAL 14 3.834 10.069 2.216 78 HG11 VAL 14 1HG1 VAL 14 3.124 8.914 0.240 79 HG12 VAL 14 2HG1 VAL 14 4.581 9.404 -0.628 80 HG13 VAL 14 3HG1 VAL 14 4.695 8.272 0.721 81 HG21 VAL 14 1HG2 VAL 14 5.915 11.077 2.545 82 HG22 VAL 14 2HG2 VAL 14 6.307 9.548 1.757 83 HG23 VAL 14 3HG2 VAL 14 6.307 11.045 0.825 84 H VAL 15 H VAL 15 2.682 11.319 -1.567 85 HA VAL 15 HA VAL 15 -0.031 10.986 -0.461 86 HB VAL 15 HB VAL 15 0.760 12.168 -3.127 87 HG11 VAL 15 1HG1 VAL 15 -1.916 12.724 -2.606 88 HG12 VAL 15 2HG1 VAL 15 -1.282 11.586 -3.796 89 HG13 VAL 15 3HG1 VAL 15 -1.718 11.024 -2.182 90 HG21 VAL 15 1HG2 VAL 15 -0.733 13.635 -1.001 91 HG22 VAL 15 2HG2 VAL 15 1.020 13.481 -0.877 92 HG23 VAL 15 3HG2 VAL 15 0.301 14.261 -2.286 93 H ALA 16 H ALA 16 -0.680 8.948 -0.604 94 HA ALA 16 HA ALA 16 0.193 7.343 -2.915 95 HB1 ALA 16 1HB ALA 16 0.470 6.779 -0.240 96 HB2 ALA 16 2HB ALA 16 -0.961 5.853 -0.694 97 HB3 ALA 16 3HB ALA 16 0.557 5.609 -1.557 98 H SER 17 H SER 17 -1.286 6.524 -4.273 99 HA SER 17 HA SER 17 -4.052 6.213 -3.480 100 HB2 SER 17 1HB SER 17 -4.928 7.634 -5.307 101 HB3 SER 17 2HB SER 17 -4.018 8.571 -4.122 102 HG SER 17 HG SER 17 -2.590 7.564 -6.282 103 H GLY 18 H GLY 18 -5.333 5.663 -5.689 104 HA2 GLY 18 1HA GLY 18 -4.757 4.606 -7.926 105 HA3 GLY 18 2HA GLY 18 -3.694 3.574 -6.980 106 HA PRO 19 HA PRO 19 -8.044 1.759 -7.392 107 HB2 PRO 19 1HB PRO 19 -7.385 -0.356 -8.960 108 HB3 PRO 19 2HB PRO 19 -7.877 1.210 -9.616 109 HG2 PRO 19 1HG PRO 19 -5.126 0.082 -9.266 110 HG3 PRO 19 2HG PRO 19 -5.803 0.974 -10.641 111 HD2 PRO 19 1HD PRO 19 -4.210 2.142 -8.788 112 HD3 PRO 19 2HD PRO 19 -5.511 3.020 -9.620 113 H GLY 20 H GLY 20 -4.841 0.332 -6.961 114 HA2 GLY 20 1HA GLY 20 -5.558 -2.083 -5.771 115 HA3 GLY 20 2HA GLY 20 -4.060 -1.218 -5.460 116 H LEU 21 H LEU 21 -5.412 1.140 -4.394 117 HA LEU 21 HA LEU 21 -5.728 0.190 -1.687 118 HB2 LEU 21 1HB LEU 21 -5.479 2.835 -3.018 119 HB3 LEU 21 2HB LEU 21 -6.233 2.778 -1.426 120 HG LEU 21 HG LEU 21 -3.575 1.478 -1.808 121 HD11 LEU 21 1HD1 LEU 21 -4.133 4.332 -2.137 122 HD12 LEU 21 2HD1 LEU 21 -2.710 3.391 -2.583 123 HD13 LEU 21 3HD1 LEU 21 -2.904 3.966 -0.927 124 HD21 LEU 21 1HD2 LEU 21 -4.877 1.299 0.304 125 HD22 LEU 21 2HD2 LEU 21 -4.754 3.050 0.479 126 HD23 LEU 21 3HD2 LEU 21 -3.296 2.056 0.503 127 H GLU 22 H GLU 22 -7.780 0.468 -4.262 128 HA GLU 22 HA GLU 22 -10.106 1.162 -2.613 129 HB2 GLU 22 1HB GLU 22 -9.992 0.817 -5.611 130 HB3 GLU 22 2HB GLU 22 -11.312 1.502 -4.674 131 HG2 GLU 22 1HG GLU 22 -9.494 3.217 -3.917 132 HG3 GLU 22 2HG GLU 22 -8.679 2.691 -5.389 133 H HIS 23 H HIS 23 -8.732 -1.386 -4.600 134 HA HIS 23 HA HIS 23 -10.127 -3.425 -3.227 135 HB2 HIS 23 1HB HIS 23 -11.585 -4.235 -5.000 136 HB3 HIS 23 2HB HIS 23 -12.015 -2.580 -4.581 137 HD1 HIS 23 1HD HIS 23 -10.524 -4.634 -7.332 138 HD2 HIS 23 2HD HIS 23 -11.630 -0.696 -6.604 139 HE1 HIS 23 1HE HIS 23 -10.446 -3.489 -9.569 140 HE2 HIS 23 2HE HIS 23 -11.036 -1.088 -9.091 141 H GLY 24 H GLY 24 -9.731 -5.598 -4.218 142 HA2 GLY 24 1HA GLY 24 -7.571 -5.676 -6.178 143 HA3 GLY 24 2HA GLY 24 -7.194 -6.280 -4.572 144 H LYS 25 H LYS 25 -6.921 -7.957 -6.682 145 HA LYS 25 HA LYS 25 -9.031 -9.913 -6.146 146 HB2 LYS 25 1HB LYS 25 -9.324 -8.576 -8.379 147 HB3 LYS 25 2HB LYS 25 -8.026 -9.614 -8.954 148 HG2 LYS 25 1HG LYS 25 -9.401 -11.583 -8.300 149 HG3 LYS 25 2HG LYS 25 -10.720 -10.472 -7.925 150 HD2 LYS 25 1HD LYS 25 -10.353 -9.607 -10.338 151 HD3 LYS 25 2HD LYS 25 -9.496 -11.131 -10.580 152 HE2 LYS 25 1HE LYS 25 -11.766 -11.442 -11.263 153 HE3 LYS 25 2HE LYS 25 -11.525 -12.321 -9.753 154 HZ1 LYS 25 1HZ LYS 25 -12.797 -10.834 -8.580 155 HZ2 LYS 25 2HZ LYS 25 -13.607 -10.837 -10.064 156 HZ3 LYS 25 3HZ LYS 25 -12.557 -9.568 -9.676 157 H VAL 26 H VAL 26 -8.346 -12.021 -6.112 158 HA VAL 26 HA VAL 26 -5.707 -12.595 -5.508 159 HB VAL 26 HB VAL 26 -7.795 -14.476 -6.617 160 HG11 VAL 26 1HG1 VAL 26 -5.890 -15.701 -4.858 161 HG12 VAL 26 2HG1 VAL 26 -6.307 -16.122 -6.520 162 HG13 VAL 26 3HG1 VAL 26 -5.054 -14.922 -6.201 163 HG21 VAL 26 1HG2 VAL 26 -7.006 -13.850 -3.773 164 HG22 VAL 26 2HG2 VAL 26 -8.496 -13.343 -4.569 165 HG23 VAL 26 3HG2 VAL 26 -8.193 -15.055 -4.274 166 H GLY 27 H GLY 27 -3.952 -12.496 -6.738 167 HA2 GLY 27 1HA GLY 27 -2.614 -13.330 -8.518 168 HA3 GLY 27 2HA GLY 27 -4.075 -13.576 -9.464 169 H GLU 28 H GLU 28 -5.049 -10.853 -8.707 170 HA GLU 28 HA GLU 28 -3.941 -9.465 -10.934 171 HB2 GLU 28 1HB GLU 28 -5.995 -8.874 -8.855 172 HB3 GLU 28 2HB GLU 28 -5.322 -7.526 -9.761 173 HG2 GLU 28 1HG GLU 28 -6.604 -9.948 -11.002 174 HG3 GLU 28 2HG GLU 28 -7.420 -8.413 -10.712 175 H ALA 29 H ALA 29 -3.388 -7.008 -10.523 176 HA ALA 29 HA ALA 29 -1.362 -6.911 -8.382 177 HB1 ALA 29 1HB ALA 29 0.226 -6.168 -9.796 178 HB2 ALA 29 2HB ALA 29 -0.775 -6.957 -11.015 179 HB3 ALA 29 3HB ALA 29 -0.915 -5.220 -10.750 180 H GLY 30 H GLY 30 -1.668 -5.359 -6.929 181 HA2 GLY 30 1HA GLY 30 -3.735 -3.389 -7.308 182 HA3 GLY 30 2HA GLY 30 -2.738 -3.595 -5.875 183 H LEU 31 H LEU 31 -3.175 -1.887 -8.830 184 HA LEU 31 HA LEU 31 -0.620 -0.706 -9.055 185 HB2 LEU 31 1HB LEU 31 -3.273 0.418 -9.938 186 HB3 LEU 31 2HB LEU 31 -1.683 0.903 -10.522 187 HG LEU 31 HG LEU 31 -2.809 -1.864 -10.907 188 HD11 LEU 31 1HD1 LEU 31 -2.796 -0.525 -13.350 189 HD12 LEU 31 2HD1 LEU 31 -3.536 0.600 -12.212 190 HD13 LEU 31 3HD1 LEU 31 -4.205 -1.020 -12.411 191 HD21 LEU 31 1HD2 LEU 31 -1.107 -1.861 -12.753 192 HD22 LEU 31 2HD2 LEU 31 -0.441 -1.835 -11.120 193 HD23 LEU 31 3HD2 LEU 31 -0.481 -0.355 -12.080 194 H LEU 32 H LEU 32 0.333 0.679 -7.730 195 HA LEU 32 HA LEU 32 -1.319 2.642 -6.299 196 HB2 LEU 32 1HB LEU 32 1.018 1.184 -5.082 197 HB3 LEU 32 2HB LEU 32 -0.038 2.349 -4.286 198 HG LEU 32 HG LEU 32 -0.866 -0.388 -5.254 199 HD11 LEU 32 1HD1 LEU 32 -1.174 -0.287 -2.524 200 HD12 LEU 32 2HD1 LEU 32 0.357 0.548 -2.785 201 HD13 LEU 32 3HD1 LEU 32 0.134 -1.093 -3.391 202 HD21 LEU 32 1HD2 LEU 32 -2.973 0.024 -4.305 203 HD22 LEU 32 2HD2 LEU 32 -2.596 1.484 -5.221 204 HD23 LEU 32 3HD2 LEU 32 -2.409 1.470 -3.466 205 H SER 33 H SER 33 -0.591 4.672 -6.429 206 HA SER 33 HA SER 33 2.160 5.090 -7.402 207 HB2 SER 33 1HB SER 33 0.104 5.657 -8.930 208 HB3 SER 33 2HB SER 33 -0.019 7.088 -7.905 209 HG SER 33 HG SER 33 2.300 7.369 -8.426 210 H VAL 34 H VAL 34 3.447 6.224 -6.113 211 HA VAL 34 HA VAL 34 2.220 7.799 -3.948 212 HB VAL 34 HB VAL 34 4.979 6.570 -4.049 213 HG11 VAL 34 1HG1 VAL 34 3.636 7.784 -1.653 214 HG12 VAL 34 2HG1 VAL 34 5.337 7.368 -1.872 215 HG13 VAL 34 3HG1 VAL 34 4.643 8.737 -2.742 216 HG21 VAL 34 1HG2 VAL 34 3.412 5.564 -1.918 217 HG22 VAL 34 2HG2 VAL 34 2.447 5.443 -3.389 218 HG23 VAL 34 3HG2 VAL 34 4.042 4.694 -3.317 219 H ASP 35 H ASP 35 2.169 9.884 -4.489 220 HA ASP 35 HA ASP 35 4.358 11.031 -6.053 221 HB2 ASP 35 1HB ASP 35 1.922 11.418 -6.652 222 HB3 ASP 35 2HB ASP 35 1.810 12.407 -5.199 223 H CYS 36 H CYS 36 6.035 11.700 -4.882 224 HA CYS 36 HA CYS 36 5.575 12.853 -2.231 225 HB2 CYS 36 1HB CYS 36 7.958 12.553 -1.862 226 HB3 CYS 36 2HB CYS 36 7.257 11.051 -2.452 227 HG CYS 36 HG CYS 36 9.918 11.754 -3.480 228 H SER 37 H SER 37 5.683 14.969 -1.878 229 HA SER 37 HA SER 37 6.775 16.676 -4.012 230 HB2 SER 37 1HB SER 37 4.614 17.155 -1.963 231 HB3 SER 37 2HB SER 37 5.355 18.474 -2.870 232 HG SER 37 HG SER 37 3.660 17.901 -4.096 233 H GLU 38 H GLU 38 6.231 16.994 -0.501 234 HA GLU 38 HA GLU 38 8.958 18.091 -0.283 235 HB2 GLU 38 1HB GLU 38 6.373 18.957 0.913 236 HB3 GLU 38 2HB GLU 38 7.822 19.128 1.893 237 HG2 GLU 38 1HG GLU 38 7.456 20.275 -0.864 238 HG3 GLU 38 2HG GLU 38 7.262 21.167 0.644 239 H ALA 39 H ALA 39 7.936 15.296 -0.007 240 HA ALA 39 HA ALA 39 8.012 14.615 2.762 241 HB1 ALA 39 1HB ALA 39 8.708 12.360 1.205 242 HB2 ALA 39 2HB ALA 39 7.153 12.741 1.946 243 HB3 ALA 39 3HB ALA 39 7.501 13.276 0.301 244 H GLY 40 H GLY 40 10.389 15.761 0.817 245 HA2 GLY 40 1HA GLY 40 12.684 15.739 0.890 246 HA3 GLY 40 2HA GLY 40 12.478 15.331 2.587 247 HA PRO 41 HA PRO 41 14.757 11.821 0.689 248 HB2 PRO 41 1HB PRO 41 16.332 11.395 2.859 249 HB3 PRO 41 2HB PRO 41 16.718 12.585 1.610 250 HG2 PRO 41 1HG PRO 41 15.453 12.995 4.292 251 HG3 PRO 41 2HG PRO 41 16.707 13.956 3.488 252 HD2 PRO 41 1HD PRO 41 14.105 14.702 3.531 253 HD3 PRO 41 2HD PRO 41 15.183 15.076 2.171 254 H GLY 42 H GLY 42 15.469 9.732 2.228 255 HA2 GLY 42 1HA GLY 42 14.623 8.301 4.002 256 HA3 GLY 42 2HA GLY 42 13.031 8.990 3.717 257 H ALA 43 H ALA 43 13.527 6.233 3.795 258 HA ALA 43 HA ALA 43 13.330 5.426 0.974 259 HB1 ALA 43 1HB ALA 43 15.063 4.357 2.461 260 HB2 ALA 43 2HB ALA 43 13.729 3.596 3.328 261 HB3 ALA 43 3HB ALA 43 13.984 3.245 1.618 262 H LEU 44 H LEU 44 11.575 4.298 0.214 263 HA LEU 44 HA LEU 44 9.193 4.390 1.911 264 HB2 LEU 44 1HB LEU 44 9.004 5.483 -0.231 265 HB3 LEU 44 2HB LEU 44 9.531 4.020 -1.061 266 HG LEU 44 HG LEU 44 7.418 2.935 -0.107 267 HD11 LEU 44 1HD1 LEU 44 5.674 4.272 0.661 268 HD12 LEU 44 2HD1 LEU 44 6.425 5.757 0.077 269 HD13 LEU 44 3HD1 LEU 44 7.092 4.926 1.483 270 HD21 LEU 44 1HD2 LEU 44 6.104 3.673 -1.966 271 HD22 LEU 44 2HD2 LEU 44 7.792 3.614 -2.477 272 HD23 LEU 44 3HD2 LEU 44 7.038 5.164 -2.100 273 H GLY 45 H GLY 45 7.807 2.603 2.155 274 HA2 GLY 45 1HA GLY 45 8.536 0.029 1.077 275 HA3 GLY 45 2HA GLY 45 8.869 0.189 2.795 276 H LEU 46 H LEU 46 6.973 -1.562 1.380 277 HA LEU 46 HA LEU 46 4.575 -0.786 2.883 278 HB2 LEU 46 1HB LEU 46 4.190 -0.198 0.550 279 HB3 LEU 46 2HB LEU 46 4.610 -1.836 0.056 280 HG LEU 46 HG LEU 46 2.602 -2.510 1.581 281 HD11 LEU 46 1HD1 LEU 46 2.122 0.413 1.083 282 HD12 LEU 46 2HD1 LEU 46 2.070 -0.465 2.611 283 HD13 LEU 46 3HD1 LEU 46 0.812 -0.723 1.403 284 HD21 LEU 46 1HD2 LEU 46 1.301 -1.380 -0.673 285 HD22 LEU 46 2HD2 LEU 46 1.808 -3.050 -0.418 286 HD23 LEU 46 3HD2 LEU 46 2.910 -1.899 -1.175 287 H GLU 47 H GLU 47 3.317 -2.506 3.656 288 HA GLU 47 HA GLU 47 4.434 -5.199 3.293 289 HB2 GLU 47 1HB GLU 47 5.264 -4.195 5.423 290 HB3 GLU 47 2HB GLU 47 3.596 -4.054 5.961 291 HG2 GLU 47 1HG GLU 47 4.133 -6.015 6.956 292 HG3 GLU 47 2HG GLU 47 3.576 -6.636 5.404 293 H ALA 48 H ALA 48 2.873 -6.366 2.399 294 HA ALA 48 HA ALA 48 0.077 -5.784 3.035 295 HB1 ALA 48 1HB ALA 48 1.381 -7.378 0.844 296 HB2 ALA 48 2HB ALA 48 -0.360 -7.394 1.131 297 HB3 ALA 48 3HB ALA 48 0.450 -5.886 0.708 298 H VAL 49 H VAL 49 -1.075 -7.020 4.365 299 HA VAL 49 HA VAL 49 -0.367 -9.830 4.730 300 HB VAL 49 HB VAL 49 -0.485 -7.817 6.972 301 HG11 VAL 49 1HG1 VAL 49 -0.911 -10.772 7.004 302 HG12 VAL 49 2HG1 VAL 49 -0.104 -9.991 8.365 303 HG13 VAL 49 3HG1 VAL 49 -1.739 -9.508 7.912 304 HG21 VAL 49 1HG2 VAL 49 1.702 -8.809 7.552 305 HG22 VAL 49 2HG2 VAL 49 1.602 -9.817 6.108 306 HG23 VAL 49 3HG2 VAL 49 1.694 -8.063 5.954 307 H SER 50 H SER 50 -2.128 -11.065 4.743 308 HA SER 50 HA SER 50 -4.739 -9.804 4.801 309 HB2 SER 50 1HB SER 50 -4.022 -11.627 3.154 310 HB3 SER 50 2HB SER 50 -4.187 -12.756 4.499 311 HG SER 50 HG SER 50 -6.098 -12.555 3.196 312 H ASP 51 H ASP 51 -6.489 -10.620 6.122 313 HA ASP 51 HA ASP 51 -6.038 -10.581 8.818 314 HB2 ASP 51 1HB ASP 51 -8.265 -10.519 7.490 315 HB3 ASP 51 2HB ASP 51 -8.257 -12.268 7.695 316 H SER 52 H SER 52 -5.755 -13.290 6.646 317 HA SER 52 HA SER 52 -5.451 -15.183 8.839 318 HB2 SER 52 1HB SER 52 -5.325 -15.584 5.840 319 HB3 SER 52 2HB SER 52 -5.234 -16.874 7.038 320 HG SER 52 HG SER 52 -7.415 -15.258 6.318 321 H GLY 53 H GLY 53 -3.517 -12.986 8.382 322 HA2 GLY 53 1HA GLY 53 -1.244 -12.648 8.355 323 HA3 GLY 53 2HA GLY 53 -1.154 -14.269 9.027 324 H THR 54 H THR 54 -1.937 -12.864 5.843 325 HA THR 54 HA THR 54 -0.082 -14.821 4.651 326 HB THR 54 HB THR 54 -2.335 -13.494 3.156 327 HG1 THR 54 1HG THR 54 -2.398 -15.652 4.939 328 HG21 THR 54 1HG2 THR 54 -0.209 -15.075 2.345 329 HG22 THR 54 2HG2 THR 54 -1.681 -14.755 1.428 330 HG23 THR 54 3HG2 THR 54 -1.564 -16.200 2.431 331 H LYS 55 H LYS 55 1.759 -13.893 4.060 332 HA LYS 55 HA LYS 55 1.945 -11.071 3.530 333 HB2 LYS 55 1HB LYS 55 3.973 -13.305 3.364 334 HB3 LYS 55 2HB LYS 55 4.354 -11.616 3.057 335 HG2 LYS 55 1HG LYS 55 4.019 -11.008 5.280 336 HG3 LYS 55 2HG LYS 55 3.104 -12.474 5.640 337 HD2 LYS 55 1HD LYS 55 5.218 -13.770 5.212 338 HD3 LYS 55 2HD LYS 55 6.066 -12.224 5.142 339 HE2 LYS 55 1HE LYS 55 5.308 -11.719 7.420 340 HE3 LYS 55 2HE LYS 55 4.482 -13.276 7.485 341 HZ1 LYS 55 1HZ LYS 55 7.396 -12.767 7.354 342 HZ2 LYS 55 2HZ LYS 55 6.728 -14.290 7.044 343 HZ3 LYS 55 3HZ LYS 55 6.532 -13.574 8.564 344 H ALA 56 H ALA 56 1.368 -10.218 1.651 345 HA ALA 56 HA ALA 56 1.351 -11.836 -0.764 346 HB1 ALA 56 1HB ALA 56 0.391 -9.033 -0.215 347 HB2 ALA 56 2HB ALA 56 0.267 -9.838 -1.779 348 HB3 ALA 56 3HB ALA 56 -0.593 -10.487 -0.383 349 H GLU 57 H GLU 57 2.440 -11.275 -2.685 350 HA GLU 57 HA GLU 57 5.082 -10.323 -2.314 351 HB2 GLU 57 1HB GLU 57 4.027 -11.947 -4.116 352 HB3 GLU 57 2HB GLU 57 3.864 -10.458 -5.036 353 HG2 GLU 57 1HG GLU 57 6.339 -10.091 -4.570 354 HG3 GLU 57 2HG GLU 57 6.369 -11.775 -4.049 355 H VAL 58 H VAL 58 5.808 -8.308 -2.279 356 HA VAL 58 HA VAL 58 4.281 -6.226 -3.697 357 HB VAL 58 HB VAL 58 5.609 -5.933 -0.999 358 HG11 VAL 58 1HG1 VAL 58 5.774 -3.780 -1.562 359 HG12 VAL 58 2HG1 VAL 58 4.781 -3.998 -3.005 360 HG13 VAL 58 3HG1 VAL 58 4.016 -3.725 -1.439 361 HG21 VAL 58 1HG2 VAL 58 2.748 -6.189 -1.858 362 HG22 VAL 58 2HG2 VAL 58 3.610 -7.070 -0.597 363 HG23 VAL 58 3HG2 VAL 58 3.184 -5.376 -0.355 364 H SER 59 H SER 59 5.463 -4.596 -4.676 365 HA SER 59 HA SER 59 8.381 -4.714 -4.497 366 HB2 SER 59 1HB SER 59 7.731 -6.151 -6.407 367 HB3 SER 59 2HB SER 59 6.880 -4.785 -7.127 368 HG SER 59 HG SER 59 8.715 -4.064 -7.839 369 H ILE 60 H ILE 60 9.439 -2.793 -5.071 370 HA ILE 60 HA ILE 60 7.675 -0.469 -5.482 371 HB ILE 60 HB ILE 60 10.129 -0.611 -3.727 372 HG12 ILE 60 1HG1 ILE 60 7.323 0.122 -2.909 373 HG13 ILE 60 2HG1 ILE 60 7.879 -1.548 -2.906 374 HG21 ILE 60 1HG2 ILE 60 8.723 1.814 -3.380 375 HG22 ILE 60 2HG2 ILE 60 10.354 1.577 -4.005 376 HG23 ILE 60 3HG2 ILE 60 8.982 1.599 -5.111 377 HD11 ILE 60 1HD1 ILE 60 9.754 0.148 -1.540 378 HD12 ILE 60 2HD1 ILE 60 8.134 0.321 -0.865 379 HD13 ILE 60 3HD1 ILE 60 8.886 -1.271 -0.957 380 H GLN 61 H GLN 61 8.161 0.765 -7.176 381 HA GLN 61 HA GLN 61 10.876 0.597 -8.302 382 HB2 GLN 61 1HB GLN 61 8.847 -0.558 -9.545 383 HB3 GLN 61 2HB GLN 61 8.538 1.085 -10.093 384 HG2 GLN 61 1HG GLN 61 10.874 1.172 -10.941 385 HG3 GLN 61 2HG GLN 61 11.036 -0.533 -10.524 386 HE21 GLN 61 1HE2 GLN 61 10.478 -1.983 -11.995 387 HE22 GLN 61 2HE2 GLN 61 9.569 -1.665 -13.429 388 H ASN 62 H ASN 62 11.771 2.478 -9.082 389 HA ASN 62 HA ASN 62 10.457 4.930 -8.207 390 HB2 ASN 62 1HB ASN 62 12.798 4.532 -7.540 391 HB3 ASN 62 2HB ASN 62 13.269 4.486 -9.237 392 HD21 ASN 62 1HD2 ASN 62 11.602 6.566 -6.903 393 HD22 ASN 62 2HD2 ASN 62 12.233 8.052 -7.518 394 H ASN 63 H ASN 63 10.454 6.834 -9.588 395 HA ASN 63 HA ASN 63 10.465 6.230 -12.463 396 HB2 ASN 63 1HB ASN 63 8.282 7.681 -10.952 397 HB3 ASN 63 2HB ASN 63 8.400 7.615 -12.708 398 HD21 ASN 63 1HD2 ASN 63 7.097 6.191 -10.007 399 HD22 ASN 63 2HD2 ASN 63 6.625 4.680 -10.697 400 H LYS 64 H LYS 64 10.758 8.068 -13.838 401 HA LYS 64 HA LYS 64 12.671 9.906 -12.878 402 HB2 LYS 64 1HB LYS 64 12.478 9.126 -15.243 403 HB3 LYS 64 2HB LYS 64 11.031 10.111 -15.409 404 HG2 LYS 64 1HG LYS 64 12.262 12.120 -15.137 405 HG3 LYS 64 2HG LYS 64 13.708 11.240 -14.637 406 HD2 LYS 64 1HD LYS 64 14.121 10.458 -16.800 407 HD3 LYS 64 2HD LYS 64 12.471 10.788 -17.333 408 HE2 LYS 64 1HE LYS 64 13.715 12.491 -18.319 409 HE3 LYS 64 2HE LYS 64 13.042 13.254 -16.880 410 HZ1 LYS 64 1HZ LYS 64 15.331 12.339 -15.907 411 HZ2 LYS 64 2HZ LYS 64 15.173 13.875 -16.598 412 HZ3 LYS 64 3HZ LYS 64 15.802 12.597 -17.511 413 H ASP 65 H ASP 65 9.317 9.887 -12.610 414 HA ASP 65 HA ASP 65 9.029 12.781 -12.540 415 HB2 ASP 65 1HB ASP 65 7.273 11.186 -13.481 416 HB3 ASP 65 2HB ASP 65 6.929 10.742 -11.811 417 H GLY 66 H GLY 66 10.332 10.661 -10.493 418 HA2 GLY 66 1HA GLY 66 10.938 10.929 -8.276 419 HA3 GLY 66 2HA GLY 66 9.937 12.372 -8.215 420 H THR 67 H THR 67 8.373 9.587 -9.412 421 HA THR 67 HA THR 67 6.936 9.316 -6.859 422 HB THR 67 HB THR 67 5.250 8.071 -8.430 423 HG1 THR 67 1HG THR 67 5.892 8.110 -10.444 424 HG21 THR 67 1HG2 THR 67 5.627 10.863 -7.727 425 HG22 THR 67 2HG2 THR 67 4.154 9.893 -7.738 426 HG23 THR 67 3HG2 THR 67 4.705 10.675 -9.219 427 H TYR 68 H TYR 68 5.894 7.027 -6.671 428 HA TYR 68 HA TYR 68 7.887 4.987 -7.398 429 HB2 TYR 68 1HB TYR 68 6.524 5.290 -4.714 430 HB3 TYR 68 2HB TYR 68 7.565 3.948 -5.176 431 HD1 TYR 68 2HD TYR 68 7.513 7.602 -4.564 432 HD2 TYR 68 1HD TYR 68 9.914 4.118 -5.008 433 HE1 TYR 68 2HE TYR 68 9.475 8.862 -3.782 434 HE2 TYR 68 1HE TYR 68 11.883 5.368 -4.226 435 HH TYR 68 HH TYR 68 11.697 8.305 -2.675 436 H ALA 69 H ALA 69 7.081 3.141 -8.201 437 HA ALA 69 HA ALA 69 4.167 2.905 -8.382 438 HB1 ALA 69 1HB ALA 69 5.625 2.861 -10.442 439 HB2 ALA 69 2HB ALA 69 6.201 1.285 -9.896 440 HB3 ALA 69 3HB ALA 69 4.493 1.518 -10.271 441 H VAL 70 H VAL 70 3.581 1.988 -6.443 442 HA VAL 70 HA VAL 70 4.901 -0.472 -5.586 443 HB VAL 70 HB VAL 70 2.843 1.295 -4.272 444 HG11 VAL 70 1HG1 VAL 70 2.182 -0.904 -3.672 445 HG12 VAL 70 2HG1 VAL 70 3.853 -1.408 -3.414 446 HG13 VAL 70 3HG1 VAL 70 3.096 -0.261 -2.308 447 HG21 VAL 70 1HG2 VAL 70 4.546 2.175 -3.122 448 HG22 VAL 70 2HG2 VAL 70 5.278 0.598 -2.827 449 HG23 VAL 70 3HG2 VAL 70 5.587 1.443 -4.344 450 H THR 71 H THR 71 4.059 -2.444 -5.844 451 HA THR 71 HA THR 71 1.221 -2.694 -6.566 452 HB THR 71 HB THR 71 3.259 -4.442 -7.903 453 HG1 THR 71 1HG THR 71 3.340 -1.893 -8.206 454 HG21 THR 71 1HG2 THR 71 1.069 -5.230 -8.213 455 HG22 THR 71 2HG2 THR 71 1.421 -4.332 -9.689 456 HG23 THR 71 3HG2 THR 71 0.422 -3.605 -8.432 457 H TYR 72 H TYR 72 0.238 -4.667 -6.005 458 HA TYR 72 HA TYR 72 1.824 -6.549 -4.422 459 HB2 TYR 72 1HB TYR 72 0.442 -6.447 -2.520 460 HB3 TYR 72 2HB TYR 72 0.711 -4.763 -2.953 461 HD1 TYR 72 2HD TYR 72 -1.740 -7.537 -3.196 462 HD2 TYR 72 1HD TYR 72 -1.100 -3.337 -3.438 463 HE1 TYR 72 2HE TYR 72 -4.171 -7.177 -3.280 464 HE2 TYR 72 1HE TYR 72 -3.529 -2.966 -3.521 465 HH TYR 72 HH TYR 72 -5.572 -4.021 -3.008 466 H VAL 73 H VAL 73 1.318 -8.602 -4.843 467 HA VAL 73 HA VAL 73 -1.153 -9.127 -6.357 468 HB VAL 73 HB VAL 73 1.453 -10.653 -6.317 469 HG11 VAL 73 1HG1 VAL 73 -1.243 -11.347 -7.386 470 HG12 VAL 73 2HG1 VAL 73 0.194 -11.870 -8.267 471 HG13 VAL 73 3HG1 VAL 73 -0.047 -12.373 -6.593 472 HG21 VAL 73 1HG2 VAL 73 1.222 -8.471 -7.637 473 HG22 VAL 73 2HG2 VAL 73 1.802 -9.893 -8.505 474 HG23 VAL 73 3HG2 VAL 73 0.127 -9.372 -8.686 475 HA PRO 74 HA PRO 74 -2.197 -11.167 -2.451 476 HB2 PRO 74 1HB PRO 74 -4.855 -11.295 -2.988 477 HB3 PRO 74 2HB PRO 74 -4.070 -9.839 -2.364 478 HG2 PRO 74 1HG PRO 74 -4.842 -10.519 -5.176 479 HG3 PRO 74 2HG PRO 74 -5.026 -8.985 -4.305 480 HD2 PRO 74 1HD PRO 74 -3.020 -9.427 -6.069 481 HD3 PRO 74 2HD PRO 74 -2.827 -8.383 -4.646 482 H LEU 75 H LEU 75 -1.624 -13.256 -2.433 483 HA LEU 75 HA LEU 75 -2.161 -15.057 -4.574 484 HB2 LEU 75 1HB LEU 75 -1.292 -15.668 -1.753 485 HB3 LEU 75 2HB LEU 75 -1.187 -16.756 -3.136 486 HG LEU 75 HG LEU 75 0.318 -14.152 -2.932 487 HD11 LEU 75 1HD1 LEU 75 2.279 -15.775 -2.584 488 HD12 LEU 75 2HD1 LEU 75 1.046 -16.929 -2.076 489 HD13 LEU 75 3HD1 LEU 75 1.242 -15.408 -1.205 490 HD21 LEU 75 1HD2 LEU 75 -0.247 -15.603 -5.144 491 HD22 LEU 75 2HD2 LEU 75 1.258 -16.364 -4.628 492 HD23 LEU 75 3HD2 LEU 75 1.209 -14.629 -4.942 493 H THR 76 H THR 76 -3.697 -14.345 -1.506 494 HA THR 76 HA THR 76 -5.879 -16.179 -2.246 495 HB THR 76 HB THR 76 -4.550 -17.130 -0.375 496 HG1 THR 76 1HG THR 76 -6.567 -17.842 -0.180 497 HG21 THR 76 1HG2 THR 76 -4.306 -16.081 1.689 498 HG22 THR 76 2HG2 THR 76 -5.610 -14.936 1.372 499 HG23 THR 76 3HG2 THR 76 -4.061 -14.758 0.549 500 H ALA 77 H ALA 77 -7.932 -15.425 -1.975 501 HA ALA 77 HA ALA 77 -8.315 -12.620 -1.800 502 HB1 ALA 77 1HB ALA 77 -10.277 -14.907 -1.790 503 HB2 ALA 77 2HB ALA 77 -10.743 -13.207 -1.844 504 HB3 ALA 77 3HB ALA 77 -9.800 -13.904 -3.160 505 H GLY 78 H GLY 78 -9.678 -11.492 -0.253 506 HA2 GLY 78 1HA GLY 78 -10.843 -11.958 1.998 507 HA3 GLY 78 2HA GLY 78 -9.249 -12.530 2.468 508 H MET 79 H MET 79 -10.193 -10.637 4.024 509 HA MET 79 HA MET 79 -9.747 -7.973 3.176 510 HB2 MET 79 1HB MET 79 -9.913 -9.254 5.899 511 HB3 MET 79 2HB MET 79 -9.647 -7.529 5.688 512 HG2 MET 79 1HG MET 79 -12.028 -9.091 4.716 513 HG3 MET 79 2HG MET 79 -11.984 -8.005 6.103 514 HE1 MET 79 1HE MET 79 -11.916 -4.513 4.665 515 HE2 MET 79 2HE MET 79 -11.882 -5.573 6.074 516 HE3 MET 79 3HE MET 79 -10.429 -5.358 5.097 517 H TYR 80 H TYR 80 -7.899 -6.948 2.817 518 HA TYR 80 HA TYR 80 -5.423 -8.090 3.921 519 HB2 TYR 80 1HB TYR 80 -6.082 -6.701 1.370 520 HB3 TYR 80 2HB TYR 80 -4.476 -6.449 2.044 521 HD1 TYR 80 2HD TYR 80 -6.812 -8.990 0.737 522 HD2 TYR 80 1HD TYR 80 -2.823 -8.165 1.965 523 HE1 TYR 80 2HE TYR 80 -6.077 -11.125 -0.237 524 HE2 TYR 80 1HE TYR 80 -2.076 -10.298 0.993 525 HH TYR 80 HH TYR 80 -2.901 -12.394 0.301 526 H THR 81 H THR 81 -3.799 -6.677 4.725 527 HA THR 81 HA THR 81 -4.825 -4.051 5.592 528 HB THR 81 HB THR 81 -3.003 -5.918 7.123 529 HG1 THR 81 1HG THR 81 -5.297 -6.415 7.118 530 HG21 THR 81 1HG2 THR 81 -4.152 -3.534 8.427 531 HG22 THR 81 2HG2 THR 81 -2.891 -3.219 7.235 532 HG23 THR 81 3HG2 THR 81 -2.561 -4.272 8.611 533 H LEU 82 H LEU 82 -3.852 -2.846 3.985 534 HA LEU 82 HA LEU 82 -1.127 -3.163 3.225 535 HB2 LEU 82 1HB LEU 82 -2.701 -0.640 2.858 536 HB3 LEU 82 2HB LEU 82 -1.439 -1.314 1.829 537 HG LEU 82 HG LEU 82 -4.201 -2.486 2.147 538 HD11 LEU 82 1HD1 LEU 82 -3.769 -1.530 -0.462 539 HD12 LEU 82 2HD1 LEU 82 -3.306 -0.230 0.636 540 HD13 LEU 82 3HD1 LEU 82 -4.919 -0.936 0.737 541 HD21 LEU 82 1HD2 LEU 82 -1.737 -3.317 0.762 542 HD22 LEU 82 2HD2 LEU 82 -3.224 -3.433 -0.180 543 HD23 LEU 82 3HD2 LEU 82 -3.087 -4.281 1.361 544 H THR 83 H THR 83 0.663 -2.374 4.124 545 HA THR 83 HA THR 83 0.404 -0.212 6.108 546 HB THR 83 HB THR 83 2.329 -2.530 6.344 547 HG1 THR 83 1HG THR 83 -0.177 -2.056 7.618 548 HG21 THR 83 1HG2 THR 83 3.164 -0.576 7.453 549 HG22 THR 83 2HG2 THR 83 2.528 -1.664 8.688 550 HG23 THR 83 3HG2 THR 83 1.592 -0.257 8.185 551 H MET 84 H MET 84 1.258 1.492 5.065 552 HA MET 84 HA MET 84 3.793 1.126 3.624 553 HB2 MET 84 1HB MET 84 1.832 2.127 2.406 554 HB3 MET 84 2HB MET 84 1.928 3.499 3.501 555 HG2 MET 84 1HG MET 84 3.148 4.328 1.787 556 HG3 MET 84 2HG MET 84 4.438 3.518 2.674 557 HE1 MET 84 1HE MET 84 3.030 3.138 -1.424 558 HE2 MET 84 2HE MET 84 1.876 2.116 -0.568 559 HE3 MET 84 3HE MET 84 2.122 3.787 -0.058 560 H LYS 85 H LYS 85 5.578 2.384 4.084 561 HA LYS 85 HA LYS 85 5.406 4.313 6.269 562 HB2 LYS 85 1HB LYS 85 6.886 1.726 6.344 563 HB3 LYS 85 2HB LYS 85 7.638 3.129 7.091 564 HG2 LYS 85 1HG LYS 85 5.248 3.349 8.211 565 HG3 LYS 85 2HG LYS 85 5.223 1.612 7.896 566 HD2 LYS 85 1HD LYS 85 7.644 1.758 8.960 567 HD3 LYS 85 2HD LYS 85 6.958 3.195 9.722 568 HE2 LYS 85 1HE LYS 85 4.995 1.665 10.361 569 HE3 LYS 85 2HE LYS 85 6.079 0.334 9.958 570 HZ1 LYS 85 1HZ LYS 85 5.923 1.548 12.368 571 HZ2 LYS 85 2HZ LYS 85 7.270 2.305 11.680 572 HZ3 LYS 85 3HZ LYS 85 7.232 0.620 11.829 573 H TYR 86 H TYR 86 6.537 6.078 5.798 574 HA TYR 86 HA TYR 86 8.663 5.868 3.769 575 HB2 TYR 86 1HB TYR 86 6.549 7.207 3.221 576 HB3 TYR 86 2HB TYR 86 7.122 8.379 4.403 577 HD1 TYR 86 2HD TYR 86 7.716 6.895 1.104 578 HD2 TYR 86 1HD TYR 86 9.050 9.772 3.941 579 HE1 TYR 86 2HE TYR 86 9.115 7.943 -0.625 580 HE2 TYR 86 1HE TYR 86 10.452 10.829 2.219 581 HH TYR 86 HH TYR 86 11.269 10.646 0.141 582 H GLY 87 H GLY 87 10.619 6.020 4.635 583 HA2 GLY 87 1HA GLY 87 12.394 6.860 5.834 584 HA3 GLY 87 2HA GLY 87 11.397 8.259 6.208 585 H GLY 88 H GLY 88 10.154 5.146 7.019 586 HA2 GLY 88 1HA GLY 88 10.228 3.961 9.044 587 HA3 GLY 88 2HA GLY 88 11.194 5.254 9.740 588 H GLU 89 H GLU 89 8.568 6.539 8.113 589 HA GLU 89 HA GLU 89 6.940 6.579 10.567 590 HB2 GLU 89 1HB GLU 89 7.343 8.896 8.668 591 HB3 GLU 89 2HB GLU 89 6.379 8.907 10.138 592 HG2 GLU 89 1HG GLU 89 8.689 8.186 11.213 593 HG3 GLU 89 2HG GLU 89 9.318 9.019 9.793 594 H LEU 90 H LEU 90 4.831 6.140 10.325 595 HA LEU 90 HA LEU 90 3.831 5.026 7.969 596 HB2 LEU 90 1HB LEU 90 2.682 5.908 10.551 597 HB3 LEU 90 2HB LEU 90 1.557 5.672 9.215 598 HG LEU 90 HG LEU 90 3.439 3.578 10.302 599 HD11 LEU 90 1HD1 LEU 90 1.651 4.160 11.877 600 HD12 LEU 90 2HD1 LEU 90 1.451 2.535 11.221 601 HD13 LEU 90 3HD1 LEU 90 0.453 3.858 10.617 602 HD21 LEU 90 1HD2 LEU 90 1.352 2.438 8.824 603 HD22 LEU 90 2HD2 LEU 90 3.060 2.514 8.391 604 HD23 LEU 90 3HD2 LEU 90 1.956 3.779 7.850 605 H VAL 91 H VAL 91 2.277 5.760 6.472 606 HA VAL 91 HA VAL 91 2.394 8.650 6.010 607 HB VAL 91 HB VAL 91 1.220 7.790 3.781 608 HG11 VAL 91 1HG1 VAL 91 3.296 9.006 3.823 609 HG12 VAL 91 2HG1 VAL 91 4.162 7.585 4.410 610 HG13 VAL 91 3HG1 VAL 91 3.481 7.594 2.783 611 HG21 VAL 91 1HG2 VAL 91 2.929 5.420 4.483 612 HG22 VAL 91 2HG2 VAL 91 1.187 5.438 4.759 613 HG23 VAL 91 3HG2 VAL 91 1.823 5.612 3.123 614 HA PRO 92 HA PRO 92 -1.835 9.410 6.899 615 HB2 PRO 92 1HB PRO 92 -2.543 11.147 4.936 616 HB3 PRO 92 2HB PRO 92 -1.477 11.592 6.274 617 HG2 PRO 92 1HG PRO 92 -0.774 10.811 3.471 618 HG3 PRO 92 2HG PRO 92 -0.104 12.113 4.471 619 HD2 PRO 92 1HD PRO 92 1.162 9.745 4.123 620 HD3 PRO 92 2HD PRO 92 1.285 10.682 5.626 621 H HIS 93 H HIS 93 -0.948 7.541 4.348 622 HA HIS 93 HA HIS 93 -3.743 7.068 3.543 623 HB2 HIS 93 1HB HIS 93 -1.210 7.051 1.937 624 HB3 HIS 93 2HB HIS 93 -2.574 6.057 1.435 625 HD1 HIS 93 1HD HIS 93 -4.404 7.198 0.164 626 HD2 HIS 93 2HD HIS 93 -1.813 9.890 1.981 627 HE1 HIS 93 1HE HIS 93 -5.070 9.463 -0.703 628 HE2 HIS 93 2HE HIS 93 -3.434 11.066 0.344 629 H PHE 94 H PHE 94 -1.911 5.903 5.683 630 HA PHE 94 HA PHE 94 -2.749 3.178 5.324 631 HB2 PHE 94 1HB PHE 94 0.206 3.820 5.401 632 HB3 PHE 94 2HB PHE 94 -0.479 2.206 5.555 633 HD1 PHE 94 2HD PHE 94 -0.100 5.076 3.259 634 HD2 PHE 94 1HD PHE 94 -1.083 0.954 3.661 635 HE1 PHE 94 2HE PHE 94 -0.061 4.832 0.812 636 HE2 PHE 94 1HE PHE 94 -1.044 0.703 1.214 637 HZ PHE 94 HZ PHE 94 -0.534 2.643 -0.214 638 HA PRO 95 HA PRO 95 -1.991 1.180 6.330 639 HB2 PRO 95 1HB PRO 95 -3.685 -0.233 7.913 640 HB3 PRO 95 2HB PRO 95 -1.944 -0.143 8.208 641 HG2 PRO 95 1HG PRO 95 -4.166 1.389 9.502 642 HG3 PRO 95 2HG PRO 95 -2.742 0.641 10.247 643 HD2 PRO 95 1HD PRO 95 -2.888 3.293 9.725 644 HD3 PRO 95 2HD PRO 95 -1.361 2.391 9.662 645 H ALA 96 H ALA 96 -3.616 0.295 5.003 646 HA ALA 96 HA ALA 96 -6.259 1.569 5.136 647 HB1 ALA 96 1HB ALA 96 -4.881 2.796 3.502 648 HB2 ALA 96 2HB ALA 96 -4.650 1.297 2.601 649 HB3 ALA 96 3HB ALA 96 -6.263 1.993 2.756 650 H ARG 97 H ARG 97 -7.703 -0.003 5.336 651 HA ARG 97 HA ARG 97 -7.131 -2.706 4.563 652 HB2 ARG 97 1HB ARG 97 -9.421 -3.170 5.385 653 HB3 ARG 97 2HB ARG 97 -8.439 -2.301 6.557 654 HG2 ARG 97 1HG ARG 97 -10.352 -1.102 6.733 655 HG3 ARG 97 2HG ARG 97 -9.591 -0.208 5.415 656 HD2 ARG 97 1HD ARG 97 -11.019 -1.051 3.836 657 HD3 ARG 97 2HD ARG 97 -11.301 -2.543 4.732 658 HE ARG 97 HE ARG 97 -12.492 -0.744 6.305 659 HH11 ARG 97 1HH1 ARG 97 -12.647 -1.245 2.863 660 HH12 ARG 97 2HH1 ARG 97 -14.271 -0.658 2.720 661 HH21 ARG 97 1HH2 ARG 97 -14.630 0.031 6.129 662 HH22 ARG 97 2HH2 ARG 97 -15.397 0.068 4.577 663 H VAL 98 H VAL 98 -7.968 -3.881 2.886 664 HA VAL 98 HA VAL 98 -9.861 -2.612 1.061 665 HB VAL 98 HB VAL 98 -7.208 -3.695 0.104 666 HG11 VAL 98 1HG1 VAL 98 -9.295 -3.975 -1.349 667 HG12 VAL 98 2HG1 VAL 98 -9.248 -2.221 -1.531 668 HG13 VAL 98 3HG1 VAL 98 -7.889 -3.202 -2.080 669 HG21 VAL 98 1HG2 VAL 98 -7.218 -1.435 1.291 670 HG22 VAL 98 2HG2 VAL 98 -6.518 -1.493 -0.326 671 HG23 VAL 98 3HG2 VAL 98 -8.142 -0.847 -0.092 672 H LYS 99 H LYS 99 -11.340 -4.027 0.405 673 HA LYS 99 HA LYS 99 -11.054 -6.818 1.082 674 HB2 LYS 99 1HB LYS 99 -13.185 -5.306 1.209 675 HB3 LYS 99 2HB LYS 99 -13.351 -5.711 -0.495 676 HG2 LYS 99 1HG LYS 99 -13.120 -8.157 0.310 677 HG3 LYS 99 2HG LYS 99 -13.525 -7.495 1.895 678 HD2 LYS 99 1HD LYS 99 -15.208 -6.853 -0.498 679 HD3 LYS 99 2HD LYS 99 -15.426 -8.375 0.368 680 HE2 LYS 99 1HE LYS 99 -15.867 -7.177 2.425 681 HE3 LYS 99 2HE LYS 99 -15.538 -5.638 1.631 682 HZ1 LYS 99 1HZ LYS 99 -17.438 -6.037 0.178 683 HZ2 LYS 99 2HZ LYS 99 -17.905 -6.027 1.803 684 HZ3 LYS 99 3HZ LYS 99 -17.762 -7.495 0.974 685 H VAL 100 H VAL 100 -10.319 -8.354 -0.222 686 HA VAL 100 HA VAL 100 -10.143 -7.781 -3.104 687 HB VAL 100 HB VAL 100 -8.542 -9.732 -1.443 688 HG11 VAL 100 1HG1 VAL 100 -9.128 -9.933 -4.117 689 HG12 VAL 100 2HG1 VAL 100 -7.579 -9.088 -4.119 690 HG13 VAL 100 3HG1 VAL 100 -7.732 -10.650 -3.314 691 HG21 VAL 100 1HG2 VAL 100 -6.899 -7.838 -2.715 692 HG22 VAL 100 2HG2 VAL 100 -8.222 -6.935 -1.977 693 HG23 VAL 100 3HG2 VAL 100 -7.224 -8.002 -0.989 694 H GLU 101 H GLU 101 -11.186 -9.030 -4.536 695 HA GLU 101 HA GLU 101 -12.873 -11.169 -3.500 696 HB2 GLU 101 1HB GLU 101 -12.856 -9.479 -5.954 697 HB3 GLU 101 2HB GLU 101 -13.598 -11.069 -6.059 698 HG2 GLU 101 1HG GLU 101 -14.342 -9.143 -3.891 699 HG3 GLU 101 2HG GLU 101 -15.085 -9.069 -5.488 700 HA PRO 102 HA PRO 102 -10.562 -14.535 -5.102 701 HB2 PRO 102 1HB PRO 102 -12.509 -16.192 -6.013 702 HB3 PRO 102 2HB PRO 102 -12.206 -15.921 -4.293 703 HG2 PRO 102 1HG PRO 102 -14.288 -14.701 -6.065 704 HG3 PRO 102 2HG PRO 102 -14.449 -15.317 -4.410 705 HD2 PRO 102 1HD PRO 102 -14.213 -12.677 -4.966 706 HD3 PRO 102 2HD PRO 102 -13.570 -13.401 -3.478 707 H ALA 103 H ALA 103 -9.932 -15.686 -7.021 708 HA ALA 103 HA ALA 103 -10.437 -14.134 -9.448 709 HB1 ALA 103 1HB ALA 103 -8.205 -14.320 -9.497 710 HB2 ALA 103 2HB ALA 103 -8.199 -15.714 -8.415 711 HB3 ALA 103 3HB ALA 103 -8.515 -15.935 -10.136 712 H VAL 104 H VAL 104 -12.529 -15.820 -8.577 713 HA VAL 104 HA VAL 104 -12.443 -18.247 -10.147 714 HB VAL 104 HB VAL 104 -14.548 -16.977 -8.415 715 HG11 VAL 104 1HG1 VAL 104 -15.642 -19.365 -8.987 716 HG12 VAL 104 2HG1 VAL 104 -16.049 -17.877 -9.845 717 HG13 VAL 104 3HG1 VAL 104 -14.878 -19.003 -10.535 718 HG21 VAL 104 1HG2 VAL 104 -12.475 -18.497 -7.706 719 HG22 VAL 104 2HG2 VAL 104 -14.032 -18.573 -6.881 720 HG23 VAL 104 3HG2 VAL 104 -13.623 -19.775 -8.105 721 H ASP 105 H ASP 105 -13.094 -18.466 -12.184 722 HA ASP 105 HA ASP 105 -14.641 -16.269 -13.393 723 HB2 ASP 105 1HB ASP 105 -12.530 -18.081 -14.552 724 HB3 ASP 105 2HB ASP 105 -13.630 -17.158 -15.572 725 H THR 106 H THR 106 -16.569 -16.715 -14.256 726 HA THR 106 HA THR 106 -17.805 -19.216 -13.859 727 HB THR 106 HB THR 106 -18.665 -16.931 -15.645 728 HG1 THR 106 1HG THR 106 -18.488 -16.434 -13.384 729 HG21 THR 106 1HG2 THR 106 -20.817 -18.505 -14.589 730 HG22 THR 106 2HG2 THR 106 -19.697 -19.547 -15.466 731 HG23 THR 106 3HG2 THR 106 -20.419 -18.154 -16.270 732 H SER 107 H SER 107 -16.675 -17.623 -16.836 733 HA SER 107 HA SER 107 -17.142 -20.058 -18.358 734 HB2 SER 107 1HB SER 107 -16.374 -18.669 -20.296 735 HB3 SER 107 2HB SER 107 -17.759 -17.988 -19.442 736 HG SER 107 HG SER 107 -15.101 -17.233 -18.842 737 H SER 108 H SER 108 -15.543 -21.245 -19.401 738 HA SER 108 HA SER 108 -12.846 -20.895 -18.281 739 HB2 SER 108 1HB SER 108 -14.190 -23.364 -19.405 740 HB3 SER 108 2HB SER 108 -12.524 -23.301 -18.831 741 HG SER 108 HG SER 108 -13.224 -23.027 -16.784 742 H GLY 109 H GLY 109 -11.060 -21.729 -19.744 743 HA2 GLY 109 1HA GLY 109 -11.566 -21.476 -22.591 744 HA3 GLY 109 2HA GLY 109 -10.605 -20.183 -21.888 745 HA PRO 110 HA PRO 110 -7.656 -23.443 -23.267 746 HB2 PRO 110 1HB PRO 110 -5.818 -21.685 -24.216 747 HB3 PRO 110 2HB PRO 110 -7.189 -22.253 -25.176 748 HG2 PRO 110 1HG PRO 110 -6.870 -19.692 -23.659 749 HG3 PRO 110 2HG PRO 110 -7.547 -19.958 -25.276 750 HD2 PRO 110 1HD PRO 110 -9.101 -19.612 -23.086 751 HD3 PRO 110 2HD PRO 110 -9.587 -20.642 -24.448 752 H SER 111 H SER 111 -6.869 -24.183 -21.357 753 HA SER 111 HA SER 111 -5.411 -22.387 -19.586 754 HB2 SER 111 1HB SER 111 -7.036 -23.996 -18.632 755 HB3 SER 111 2HB SER 111 -6.060 -25.327 -19.253 756 HG SER 111 HG SER 111 -5.734 -23.873 -17.000 757 H SER 112 H SER 112 -3.285 -22.157 -19.675 758 HA SER 112 HA SER 112 -1.605 -23.312 -21.515 759 HB2 SER 112 1HB SER 112 0.237 -22.432 -20.243 760 HB3 SER 112 2HB SER 112 -1.108 -21.303 -20.082 761 HG SER 112 HG SER 112 0.222 -22.547 -18.157 762 H GLY 113 H GLY 113 -2.198 -24.361 -18.176 763 HA2 GLY 113 1HA GLY 113 -1.791 -26.357 -17.120 764 HA3 GLY 113 2HA GLY 113 -1.896 -27.087 -18.715 Start of MODEL 2 1 H1 GLY 1 H GLY 1 16.063 13.560 -15.767 2 HA2 GLY 1 1HA GLY 1 16.636 13.039 -13.026 3 HA3 GLY 1 2HA GLY 1 18.119 13.182 -13.957 4 H SER 2 H SER 2 16.111 14.855 -12.028 5 HA SER 2 HA SER 2 17.037 17.407 -13.109 6 HB2 SER 2 1HB SER 2 14.899 18.446 -13.066 7 HB3 SER 2 2HB SER 2 14.667 16.919 -13.917 8 HG SER 2 HG SER 2 13.385 17.769 -11.790 9 H SER 3 H SER 3 17.087 19.115 -11.561 10 HA SER 3 HA SER 3 17.850 18.278 -8.972 11 HB2 SER 3 1HB SER 3 18.582 20.381 -10.275 12 HB3 SER 3 2HB SER 3 17.101 21.113 -9.660 13 HG SER 3 HG SER 3 19.448 20.533 -8.361 14 H GLY 4 H GLY 4 16.488 17.540 -7.482 15 HA2 GLY 4 1HA GLY 4 14.375 19.152 -6.471 16 HA3 GLY 4 2HA GLY 4 13.733 17.831 -7.437 17 H SER 5 H SER 5 12.719 17.214 -5.384 18 HA SER 5 HA SER 5 12.545 15.890 -3.541 19 HB2 SER 5 1HB SER 5 14.902 14.696 -4.969 20 HB3 SER 5 2HB SER 5 14.411 14.069 -3.396 21 HG SER 5 HG SER 5 13.314 13.626 -5.806 22 H SER 6 H SER 6 13.664 18.372 -3.071 23 HA SER 6 HA SER 6 15.717 17.791 -1.037 24 HB2 SER 6 1HB SER 6 15.226 20.357 -2.567 25 HB3 SER 6 2HB SER 6 16.415 20.161 -1.280 26 HG SER 6 HG SER 6 16.424 18.451 -3.517 27 H GLY 7 H GLY 7 15.676 19.304 0.850 28 HA2 GLY 7 1HA GLY 7 14.375 20.851 2.198 29 HA3 GLY 7 2HA GLY 7 12.923 20.152 1.495 30 HA PRO 8 HA PRO 8 13.839 18.219 5.671 31 HB2 PRO 8 1HB PRO 8 11.485 18.915 6.831 32 HB3 PRO 8 2HB PRO 8 12.917 19.950 6.868 33 HG2 PRO 8 1HG PRO 8 10.524 20.090 5.075 34 HG3 PRO 8 2HG PRO 8 11.389 21.405 5.890 35 HD2 PRO 8 1HD PRO 8 11.764 20.817 3.274 36 HD3 PRO 8 2HD PRO 8 13.060 21.459 4.304 37 H PHE 9 H PHE 9 13.058 16.244 6.326 38 HA PHE 9 HA PHE 9 11.436 14.812 4.454 39 HB2 PHE 9 1HB PHE 9 13.000 13.389 5.342 40 HB3 PHE 9 2HB PHE 9 12.949 14.151 6.928 41 HD1 PHE 9 2HD PHE 9 11.105 13.611 8.494 42 HD2 PHE 9 1HD PHE 9 11.646 11.521 4.825 43 HE1 PHE 9 2HE PHE 9 9.666 11.795 9.320 44 HE2 PHE 9 1HE PHE 9 10.207 9.702 5.646 45 HZ PHE 9 HZ PHE 9 9.216 9.836 7.896 46 H ASP 10 H ASP 10 9.406 13.891 4.773 47 HA ASP 10 HA ASP 10 7.909 14.153 7.163 48 HB2 ASP 10 1HB ASP 10 7.591 16.265 5.067 49 HB3 ASP 10 2HB ASP 10 6.172 15.728 5.961 50 HA PRO 11 HA PRO 11 6.072 10.865 4.773 51 HB2 PRO 11 1HB PRO 11 4.468 9.954 6.765 52 HB3 PRO 11 2HB PRO 11 6.199 9.606 6.691 53 HG2 PRO 11 1HG PRO 11 4.750 11.673 8.301 54 HG3 PRO 11 2HG PRO 11 6.075 10.601 8.789 55 HD2 PRO 11 1HD PRO 11 6.471 13.195 8.122 56 HD3 PRO 11 2HD PRO 11 7.681 11.934 7.813 57 H SER 12 H SER 12 4.309 13.305 6.597 58 HA SER 12 HA SER 12 1.727 12.756 5.643 59 HB2 SER 12 1HB SER 12 2.901 15.418 6.486 60 HB3 SER 12 2HB SER 12 1.182 15.055 6.336 61 HG SER 12 HG SER 12 1.295 14.335 8.295 62 H LYS 13 H LYS 13 4.375 14.626 4.297 63 HA LYS 13 HA LYS 13 2.922 15.909 2.242 64 HB2 LYS 13 1HB LYS 13 5.847 15.184 2.457 65 HB3 LYS 13 2HB LYS 13 5.178 16.176 1.168 66 HG2 LYS 13 1HG LYS 13 4.939 16.871 4.083 67 HG3 LYS 13 2HG LYS 13 6.251 17.434 3.045 68 HD2 LYS 13 1HD LYS 13 4.850 18.777 1.785 69 HD3 LYS 13 2HD LYS 13 3.411 17.848 2.209 70 HE2 LYS 13 1HE LYS 13 3.075 19.698 3.505 71 HE3 LYS 13 2HE LYS 13 3.997 18.706 4.634 72 HZ1 LYS 13 1HZ LYS 13 6.019 19.892 3.741 73 HZ2 LYS 13 2HZ LYS 13 4.974 20.821 4.693 74 HZ3 LYS 13 3HZ LYS 13 4.956 20.987 3.010 75 H VAL 14 H VAL 14 4.110 12.692 2.607 76 HA VAL 14 HA VAL 14 4.233 11.990 -0.146 77 HB VAL 14 HB VAL 14 3.872 10.233 2.286 78 HG11 VAL 14 1HG1 VAL 14 5.047 8.669 0.405 79 HG12 VAL 14 2HG1 VAL 14 3.316 8.691 0.747 80 HG13 VAL 14 3HG1 VAL 14 3.964 9.643 -0.589 81 HG21 VAL 14 1HG2 VAL 14 5.947 11.365 2.455 82 HG22 VAL 14 2HG2 VAL 14 6.312 9.749 1.849 83 HG23 VAL 14 3HG2 VAL 14 6.300 11.123 0.744 84 H VAL 15 H VAL 15 2.683 11.359 -1.520 85 HA VAL 15 HA VAL 15 -0.032 10.961 -0.439 86 HB VAL 15 HB VAL 15 0.716 12.129 -3.124 87 HG11 VAL 15 1HG1 VAL 15 -1.418 11.946 -3.760 88 HG12 VAL 15 2HG1 VAL 15 -1.575 10.769 -2.454 89 HG13 VAL 15 3HG1 VAL 15 -2.023 12.454 -2.183 90 HG21 VAL 15 1HG2 VAL 15 1.144 13.878 -1.701 91 HG22 VAL 15 2HG2 VAL 15 -0.578 14.121 -1.999 92 HG23 VAL 15 3HG2 VAL 15 -0.042 13.343 -0.510 93 H ALA 16 H ALA 16 -0.913 9.038 -0.804 94 HA ALA 16 HA ALA 16 0.113 7.421 -3.045 95 HB1 ALA 16 1HB ALA 16 0.935 6.087 -1.438 96 HB2 ALA 16 2HB ALA 16 -0.114 6.767 -0.193 97 HB3 ALA 16 3HB ALA 16 -0.734 5.534 -1.291 98 H SER 17 H SER 17 -1.367 6.548 -4.373 99 HA SER 17 HA SER 17 -4.109 6.168 -3.523 100 HB2 SER 17 1HB SER 17 -3.884 8.589 -4.296 101 HB3 SER 17 2HB SER 17 -3.599 7.942 -5.912 102 HG SER 17 HG SER 17 -5.645 7.440 -6.078 103 H GLY 18 H GLY 18 -5.412 5.567 -5.711 104 HA2 GLY 18 1HA GLY 18 -4.806 4.495 -7.946 105 HA3 GLY 18 2HA GLY 18 -3.763 3.472 -6.971 106 HA PRO 19 HA PRO 19 -8.113 1.670 -7.420 107 HB2 PRO 19 1HB PRO 19 -7.435 -0.481 -8.931 108 HB3 PRO 19 2HB PRO 19 -7.906 1.073 -9.629 109 HG2 PRO 19 1HG PRO 19 -5.168 -0.059 -9.203 110 HG3 PRO 19 2HG PRO 19 -5.814 0.807 -10.609 111 HD2 PRO 19 1HD PRO 19 -4.251 2.006 -8.751 112 HD3 PRO 19 2HD PRO 19 -5.531 2.872 -9.625 113 H GLY 20 H GLY 20 -4.922 0.271 -6.866 114 HA2 GLY 20 1HA GLY 20 -5.690 -2.124 -5.640 115 HA3 GLY 20 2HA GLY 20 -4.179 -1.277 -5.344 116 H LEU 21 H LEU 21 -5.441 1.129 -4.331 117 HA LEU 21 HA LEU 21 -5.798 0.264 -1.609 118 HB2 LEU 21 1HB LEU 21 -5.509 2.861 -3.018 119 HB3 LEU 21 2HB LEU 21 -6.285 2.869 -1.436 120 HG LEU 21 HG LEU 21 -3.648 1.511 -1.717 121 HD11 LEU 21 1HD1 LEU 21 -3.946 4.497 -1.438 122 HD12 LEU 21 2HD1 LEU 21 -3.405 3.671 -2.899 123 HD13 LEU 21 3HD1 LEU 21 -2.444 3.573 -1.423 124 HD21 LEU 21 1HD2 LEU 21 -4.733 1.348 0.401 125 HD22 LEU 21 2HD2 LEU 21 -5.058 3.082 0.434 126 HD23 LEU 21 3HD2 LEU 21 -3.401 2.492 0.571 127 H GLU 22 H GLU 22 -7.847 0.414 -4.171 128 HA GLU 22 HA GLU 22 -10.169 1.165 -2.530 129 HB2 GLU 22 1HB GLU 22 -10.074 0.850 -5.531 130 HB3 GLU 22 2HB GLU 22 -11.371 1.555 -4.576 131 HG2 GLU 22 1HG GLU 22 -9.491 3.218 -3.825 132 HG3 GLU 22 2HG GLU 22 -8.731 2.698 -5.327 133 H HIS 23 H HIS 23 -8.857 -1.344 -4.625 134 HA HIS 23 HA HIS 23 -10.309 -3.384 -3.261 135 HB2 HIS 23 1HB HIS 23 -11.664 -4.181 -5.123 136 HB3 HIS 23 2HB HIS 23 -12.103 -2.523 -4.725 137 HD1 HIS 23 1HD HIS 23 -10.202 -4.500 -7.321 138 HD2 HIS 23 2HD HIS 23 -11.847 -0.723 -6.783 139 HE1 HIS 23 1HE HIS 23 -10.046 -3.373 -9.564 140 HE2 HIS 23 2HE HIS 23 -10.969 -1.059 -9.192 141 H GLY 24 H GLY 24 -9.945 -5.566 -4.350 142 HA2 GLY 24 1HA GLY 24 -7.622 -5.651 -6.108 143 HA3 GLY 24 2HA GLY 24 -7.396 -6.313 -4.496 144 H LYS 25 H LYS 25 -6.963 -7.982 -6.533 145 HA LYS 25 HA LYS 25 -9.183 -9.864 -6.276 146 HB2 LYS 25 1HB LYS 25 -9.167 -8.455 -8.509 147 HB3 LYS 25 2HB LYS 25 -7.913 -9.599 -8.969 148 HG2 LYS 25 1HG LYS 25 -9.520 -11.440 -8.423 149 HG3 LYS 25 2HG LYS 25 -10.764 -10.203 -8.230 150 HD2 LYS 25 1HD LYS 25 -10.800 -9.700 -10.476 151 HD3 LYS 25 2HD LYS 25 -9.142 -10.247 -10.733 152 HE2 LYS 25 1HE LYS 25 -9.796 -12.530 -10.651 153 HE3 LYS 25 2HE LYS 25 -11.405 -12.115 -10.063 154 HZ1 LYS 25 1HZ LYS 25 -11.348 -12.697 -12.443 155 HZ2 LYS 25 2HZ LYS 25 -10.353 -11.361 -12.734 156 HZ3 LYS 25 3HZ LYS 25 -11.930 -11.132 -12.167 157 H VAL 26 H VAL 26 -8.539 -11.933 -6.021 158 HA VAL 26 HA VAL 26 -5.952 -12.580 -5.303 159 HB VAL 26 HB VAL 26 -8.085 -14.415 -6.401 160 HG11 VAL 26 1HG1 VAL 26 -5.733 -15.217 -4.709 161 HG12 VAL 26 2HG1 VAL 26 -6.870 -16.257 -5.568 162 HG13 VAL 26 3HG1 VAL 26 -5.704 -15.288 -6.471 163 HG21 VAL 26 1HG2 VAL 26 -8.994 -13.513 -4.477 164 HG22 VAL 26 2HG2 VAL 26 -8.188 -14.955 -3.858 165 HG23 VAL 26 3HG2 VAL 26 -7.428 -13.374 -3.677 166 H GLY 27 H GLY 27 -4.195 -12.369 -6.537 167 HA2 GLY 27 1HA GLY 27 -2.790 -13.382 -8.201 168 HA3 GLY 27 2HA GLY 27 -4.221 -13.655 -9.185 169 H GLU 28 H GLU 28 -5.189 -10.892 -8.604 170 HA GLU 28 HA GLU 28 -4.009 -9.626 -10.857 171 HB2 GLU 28 1HB GLU 28 -6.057 -8.867 -8.821 172 HB3 GLU 28 2HB GLU 28 -5.357 -7.602 -9.820 173 HG2 GLU 28 1HG GLU 28 -6.698 -10.076 -10.884 174 HG3 GLU 28 2HG GLU 28 -7.477 -8.505 -10.704 175 H ALA 29 H ALA 29 -3.455 -7.130 -10.501 176 HA ALA 29 HA ALA 29 -1.421 -7.004 -8.370 177 HB1 ALA 29 1HB ALA 29 -0.245 -7.260 -10.416 178 HB2 ALA 29 2HB ALA 29 -1.240 -6.043 -11.217 179 HB3 ALA 29 3HB ALA 29 -0.105 -5.564 -9.954 180 H GLY 30 H GLY 30 -1.766 -5.433 -6.948 181 HA2 GLY 30 1HA GLY 30 -3.773 -3.426 -7.422 182 HA3 GLY 30 2HA GLY 30 -2.816 -3.622 -5.961 183 H LEU 31 H LEU 31 -3.246 -1.852 -8.833 184 HA LEU 31 HA LEU 31 -0.634 -0.772 -9.104 185 HB2 LEU 31 1HB LEU 31 -3.293 0.346 -9.980 186 HB3 LEU 31 2HB LEU 31 -1.716 0.933 -10.505 187 HG LEU 31 HG LEU 31 -2.783 -1.834 -11.059 188 HD11 LEU 31 1HD1 LEU 31 -3.052 0.737 -12.502 189 HD12 LEU 31 2HD1 LEU 31 -4.139 -0.649 -12.437 190 HD13 LEU 31 3HD1 LEU 31 -2.706 -0.701 -13.463 191 HD21 LEU 31 1HD2 LEU 31 -0.880 -1.416 -12.889 192 HD22 LEU 31 2HD2 LEU 31 -0.555 -2.149 -11.318 193 HD23 LEU 31 3HD2 LEU 31 -0.230 -0.434 -11.577 194 H LEU 32 H LEU 32 0.366 0.714 -7.921 195 HA LEU 32 HA LEU 32 -1.211 2.690 -6.446 196 HB2 LEU 32 1HB LEU 32 1.044 1.146 -5.181 197 HB3 LEU 32 2HB LEU 32 0.008 2.347 -4.411 198 HG LEU 32 HG LEU 32 -0.878 -0.369 -5.384 199 HD11 LEU 32 1HD1 LEU 32 0.060 0.660 -2.759 200 HD12 LEU 32 2HD1 LEU 32 0.290 -0.921 -3.505 201 HD13 LEU 32 3HD1 LEU 32 -1.263 -0.507 -2.779 202 HD21 LEU 32 1HD2 LEU 32 -2.651 0.864 -3.526 203 HD22 LEU 32 2HD2 LEU 32 -2.963 0.361 -5.188 204 HD23 LEU 32 3HD2 LEU 32 -2.354 1.983 -4.857 205 H SER 33 H SER 33 -0.388 4.681 -6.589 206 HA SER 33 HA SER 33 2.410 4.963 -7.471 207 HB2 SER 33 1HB SER 33 -0.085 6.298 -8.444 208 HB3 SER 33 2HB SER 33 1.431 7.197 -8.483 209 HG SER 33 HG SER 33 0.574 5.354 -10.188 210 H VAL 34 H VAL 34 3.671 6.119 -6.173 211 HA VAL 34 HA VAL 34 2.396 7.771 -4.098 212 HB VAL 34 HB VAL 34 5.169 6.570 -4.125 213 HG11 VAL 34 1HG1 VAL 34 4.649 8.793 -2.860 214 HG12 VAL 34 2HG1 VAL 34 3.846 7.722 -1.710 215 HG13 VAL 34 3HG1 VAL 34 5.563 7.514 -2.061 216 HG21 VAL 34 1HG2 VAL 34 3.313 5.711 -2.050 217 HG22 VAL 34 2HG2 VAL 34 2.784 5.278 -3.676 218 HG23 VAL 34 3HG2 VAL 34 4.365 4.755 -3.095 219 H ASP 35 H ASP 35 2.481 9.888 -4.395 220 HA ASP 35 HA ASP 35 4.625 11.006 -6.065 221 HB2 ASP 35 1HB ASP 35 2.169 11.377 -6.659 222 HB3 ASP 35 2HB ASP 35 2.093 12.422 -5.243 223 H CYS 36 H CYS 36 6.296 11.517 -4.774 224 HA CYS 36 HA CYS 36 5.801 12.757 -2.181 225 HB2 CYS 36 1HB CYS 36 8.150 12.401 -1.740 226 HB3 CYS 36 2HB CYS 36 7.466 10.918 -2.394 227 HG CYS 36 HG CYS 36 9.325 13.163 -4.189 228 H SER 37 H SER 37 5.580 14.885 -2.103 229 HA SER 37 HA SER 37 6.832 16.550 -4.151 230 HB2 SER 37 1HB SER 37 4.382 16.786 -3.511 231 HB3 SER 37 2HB SER 37 4.939 17.459 -1.979 232 HG SER 37 HG SER 37 5.392 19.265 -2.955 233 H GLU 38 H GLU 38 6.271 17.030 -0.665 234 HA GLU 38 HA GLU 38 9.037 18.026 -0.460 235 HB2 GLU 38 1HB GLU 38 6.473 19.085 0.612 236 HB3 GLU 38 2HB GLU 38 7.898 19.239 1.629 237 HG2 GLU 38 1HG GLU 38 7.829 20.176 -1.222 238 HG3 GLU 38 2HG GLU 38 7.362 21.198 0.136 239 H ALA 39 H ALA 39 7.902 15.300 -0.038 240 HA ALA 39 HA ALA 39 7.882 14.787 2.768 241 HB1 ALA 39 1HB ALA 39 7.729 13.187 0.297 242 HB2 ALA 39 2HB ALA 39 8.375 12.360 1.715 243 HB3 ALA 39 3HB ALA 39 6.772 13.093 1.775 244 H GLY 40 H GLY 40 10.355 15.652 0.754 245 HA2 GLY 40 1HA GLY 40 12.640 15.620 0.958 246 HA3 GLY 40 2HA GLY 40 12.376 15.213 2.647 247 HA PRO 41 HA PRO 41 14.581 11.639 0.768 248 HB2 PRO 41 1HB PRO 41 16.133 11.177 2.947 249 HB3 PRO 41 2HB PRO 41 16.560 12.350 1.695 250 HG2 PRO 41 1HG PRO 41 15.293 12.809 4.369 251 HG3 PRO 41 2HG PRO 41 16.579 13.729 3.568 252 HD2 PRO 41 1HD PRO 41 13.999 14.550 3.594 253 HD3 PRO 41 2HD PRO 41 15.095 14.887 2.238 254 H GLY 42 H GLY 42 15.263 9.573 2.414 255 HA2 GLY 42 1HA GLY 42 14.355 8.165 4.157 256 HA3 GLY 42 2HA GLY 42 12.785 8.897 3.862 257 H ALA 43 H ALA 43 13.851 6.054 3.812 258 HA ALA 43 HA ALA 43 13.392 5.277 1.048 259 HB1 ALA 43 1HB ALA 43 14.023 3.616 3.485 260 HB2 ALA 43 2HB ALA 43 13.908 3.005 1.834 261 HB3 ALA 43 3HB ALA 43 15.170 4.161 2.260 262 H LEU 44 H LEU 44 11.558 4.421 0.261 263 HA LEU 44 HA LEU 44 9.236 4.348 2.012 264 HB2 LEU 44 1HB LEU 44 8.742 5.467 0.047 265 HB3 LEU 44 2HB LEU 44 9.663 4.339 -0.945 266 HG LEU 44 HG LEU 44 7.875 2.637 -0.519 267 HD11 LEU 44 1HD1 LEU 44 5.705 4.280 0.071 268 HD12 LEU 44 2HD1 LEU 44 6.947 4.721 1.242 269 HD13 LEU 44 3HD1 LEU 44 6.420 3.044 1.107 270 HD21 LEU 44 1HD2 LEU 44 6.132 4.080 -1.905 271 HD22 LEU 44 2HD2 LEU 44 7.635 3.491 -2.614 272 HD23 LEU 44 3HD2 LEU 44 7.521 5.157 -2.045 273 H GLY 45 H GLY 45 7.870 2.550 2.244 274 HA2 GLY 45 1HA GLY 45 8.543 0.016 1.055 275 HA3 GLY 45 2HA GLY 45 8.974 0.114 2.756 276 H LEU 46 H LEU 46 6.764 -1.177 0.887 277 HA LEU 46 HA LEU 46 4.539 -0.608 2.735 278 HB2 LEU 46 1HB LEU 46 3.996 0.161 0.526 279 HB3 LEU 46 2HB LEU 46 4.483 -1.380 -0.176 280 HG LEU 46 HG LEU 46 2.552 -2.314 1.349 281 HD11 LEU 46 1HD1 LEU 46 2.236 0.029 2.322 282 HD12 LEU 46 2HD1 LEU 46 0.794 -0.847 1.809 283 HD13 LEU 46 3HD1 LEU 46 1.463 0.424 0.786 284 HD21 LEU 46 1HD2 LEU 46 1.329 -0.940 -0.905 285 HD22 LEU 46 2HD2 LEU 46 1.532 -2.666 -0.604 286 HD23 LEU 46 3HD2 LEU 46 2.846 -1.736 -1.327 287 H GLU 47 H GLU 47 3.386 -2.317 3.581 288 HA GLU 47 HA GLU 47 4.397 -5.013 2.963 289 HB2 GLU 47 1HB GLU 47 5.052 -3.834 5.245 290 HB3 GLU 47 2HB GLU 47 3.450 -4.379 5.720 291 HG2 GLU 47 1HG GLU 47 5.270 -6.345 4.446 292 HG3 GLU 47 2HG GLU 47 5.601 -5.853 6.106 293 H ALA 48 H ALA 48 2.844 -6.269 2.197 294 HA ALA 48 HA ALA 48 0.053 -5.666 2.902 295 HB1 ALA 48 1HB ALA 48 -0.616 -6.410 0.836 296 HB2 ALA 48 2HB ALA 48 0.970 -5.740 0.452 297 HB3 ALA 48 3HB ALA 48 0.774 -7.481 0.650 298 H VAL 49 H VAL 49 -0.967 -6.997 4.238 299 HA VAL 49 HA VAL 49 -0.244 -9.837 4.274 300 HB VAL 49 HB VAL 49 -0.313 -8.019 6.674 301 HG11 VAL 49 1HG1 VAL 49 -0.875 -10.934 6.486 302 HG12 VAL 49 2HG1 VAL 49 0.071 -10.348 7.855 303 HG13 VAL 49 3HG1 VAL 49 -1.552 -9.719 7.570 304 HG21 VAL 49 1HG2 VAL 49 1.882 -8.769 7.080 305 HG22 VAL 49 2HG2 VAL 49 1.721 -10.111 5.946 306 HG23 VAL 49 3HG2 VAL 49 1.814 -8.455 5.346 307 H SER 50 H SER 50 -1.974 -11.119 4.247 308 HA SER 50 HA SER 50 -4.610 -9.929 4.423 309 HB2 SER 50 1HB SER 50 -5.403 -11.822 3.332 310 HB3 SER 50 2HB SER 50 -3.752 -11.729 2.719 311 HG SER 50 HG SER 50 -3.500 -13.647 3.513 312 H ASP 51 H ASP 51 -6.337 -10.966 5.676 313 HA ASP 51 HA ASP 51 -5.910 -10.997 8.371 314 HB2 ASP 51 1HB ASP 51 -8.070 -11.907 8.631 315 HB3 ASP 51 2HB ASP 51 -8.130 -11.049 7.094 316 H SER 52 H SER 52 -5.130 -13.473 6.115 317 HA SER 52 HA SER 52 -4.832 -15.506 8.180 318 HB2 SER 52 1HB SER 52 -5.743 -15.988 5.847 319 HB3 SER 52 2HB SER 52 -4.093 -15.772 5.264 320 HG SER 52 HG SER 52 -5.043 -17.979 6.074 321 H GLY 53 H GLY 53 -3.157 -13.044 8.077 322 HA2 GLY 53 1HA GLY 53 -0.937 -12.412 8.174 323 HA3 GLY 53 2HA GLY 53 -0.777 -13.940 9.027 324 H THR 54 H THR 54 -1.220 -12.919 5.637 325 HA THR 54 HA THR 54 1.069 -14.640 4.937 326 HB THR 54 HB THR 54 -1.302 -14.164 3.131 327 HG1 THR 54 1HG THR 54 -2.299 -15.730 4.140 328 HG21 THR 54 1HG2 THR 54 0.485 -16.525 2.925 329 HG22 THR 54 2HG2 THR 54 1.141 -14.967 2.420 330 HG23 THR 54 3HG2 THR 54 -0.318 -15.600 1.658 331 H LYS 55 H LYS 55 2.695 -13.333 4.410 332 HA LYS 55 HA LYS 55 2.399 -10.669 3.521 333 HB2 LYS 55 1HB LYS 55 4.792 -12.503 3.290 334 HB3 LYS 55 2HB LYS 55 4.820 -10.757 3.087 335 HG2 LYS 55 1HG LYS 55 4.632 -10.351 5.321 336 HG3 LYS 55 2HG LYS 55 3.741 -11.844 5.630 337 HD2 LYS 55 1HD LYS 55 6.567 -12.051 4.723 338 HD3 LYS 55 2HD LYS 55 6.259 -11.547 6.386 339 HE2 LYS 55 1HE LYS 55 4.885 -13.955 5.262 340 HE3 LYS 55 2HE LYS 55 6.549 -14.072 5.833 341 HZ1 LYS 55 1HZ LYS 55 5.270 -12.754 7.836 342 HZ2 LYS 55 2HZ LYS 55 5.652 -14.402 7.827 343 HZ3 LYS 55 3HZ LYS 55 4.117 -13.887 7.336 344 H ALA 56 H ALA 56 1.817 -9.951 1.590 345 HA ALA 56 HA ALA 56 1.799 -11.746 -0.691 346 HB1 ALA 56 1HB ALA 56 -0.058 -10.077 0.007 347 HB2 ALA 56 2HB ALA 56 0.947 -8.882 -0.816 348 HB3 ALA 56 3HB ALA 56 0.327 -10.275 -1.703 349 H GLU 57 H GLU 57 2.830 -11.334 -2.671 350 HA GLU 57 HA GLU 57 5.453 -10.339 -2.493 351 HB2 GLU 57 1HB GLU 57 4.342 -12.011 -4.183 352 HB3 GLU 57 2HB GLU 57 4.046 -10.557 -5.126 353 HG2 GLU 57 1HG GLU 57 6.579 -10.120 -4.757 354 HG3 GLU 57 2HG GLU 57 6.635 -11.845 -4.399 355 H VAL 58 H VAL 58 5.958 -8.273 -2.194 356 HA VAL 58 HA VAL 58 4.460 -6.231 -3.705 357 HB VAL 58 HB VAL 58 5.842 -5.960 -1.032 358 HG11 VAL 58 1HG1 VAL 58 4.380 -3.676 -1.420 359 HG12 VAL 58 2HG1 VAL 58 6.125 -3.824 -1.637 360 HG13 VAL 58 3HG1 VAL 58 5.047 -3.979 -3.024 361 HG21 VAL 58 1HG2 VAL 58 3.594 -7.114 -1.130 362 HG22 VAL 58 2HG2 VAL 58 3.688 -5.694 -0.088 363 HG23 VAL 58 3HG2 VAL 58 2.927 -5.574 -1.674 364 H SER 59 H SER 59 5.589 -4.642 -4.780 365 HA SER 59 HA SER 59 8.520 -4.771 -4.714 366 HB2 SER 59 1HB SER 59 7.781 -6.125 -6.631 367 HB3 SER 59 2HB SER 59 6.854 -4.756 -7.243 368 HG SER 59 HG SER 59 9.618 -4.526 -6.741 369 H ILE 60 H ILE 60 9.581 -2.848 -5.227 370 HA ILE 60 HA ILE 60 7.855 -0.482 -5.542 371 HB ILE 60 HB ILE 60 10.336 -0.622 -3.826 372 HG12 ILE 60 1HG1 ILE 60 7.600 -0.106 -2.741 373 HG13 ILE 60 2HG1 ILE 60 8.066 -1.766 -3.095 374 HG21 ILE 60 1HG2 ILE 60 10.353 1.586 -4.110 375 HG22 ILE 60 2HG2 ILE 60 8.788 1.566 -4.922 376 HG23 ILE 60 3HG2 ILE 60 8.867 1.629 -3.161 377 HD11 ILE 60 1HD1 ILE 60 9.617 0.089 -1.306 378 HD12 ILE 60 2HD1 ILE 60 8.439 -1.099 -0.746 379 HD13 ILE 60 3HD1 ILE 60 9.906 -1.631 -1.568 380 H GLN 61 H GLN 61 8.340 0.699 -7.264 381 HA GLN 61 HA GLN 61 11.090 0.596 -8.314 382 HB2 GLN 61 1HB GLN 61 9.205 -0.623 -9.634 383 HB3 GLN 61 2HB GLN 61 8.716 1.000 -10.104 384 HG2 GLN 61 1HG GLN 61 10.614 1.359 -11.351 385 HG3 GLN 61 2HG GLN 61 11.554 0.164 -10.460 386 HE21 GLN 61 1HE2 GLN 61 12.037 -1.538 -11.626 387 HE22 GLN 61 2HE2 GLN 61 11.056 -2.250 -12.857 388 H ASN 62 H ASN 62 11.810 2.489 -9.447 389 HA ASN 62 HA ASN 62 10.517 4.924 -8.438 390 HB2 ASN 62 1HB ASN 62 13.024 4.289 -8.027 391 HB3 ASN 62 2HB ASN 62 13.252 4.885 -9.668 392 HD21 ASN 62 1HD2 ASN 62 14.615 6.195 -7.885 393 HD22 ASN 62 2HD2 ASN 62 13.905 7.721 -7.493 394 H ASN 63 H ASN 63 10.497 6.827 -9.842 395 HA ASN 63 HA ASN 63 10.537 6.236 -12.710 396 HB2 ASN 63 1HB ASN 63 8.220 7.631 -11.355 397 HB3 ASN 63 2HB ASN 63 8.361 7.241 -13.067 398 HD21 ASN 63 1HD2 ASN 63 6.793 6.381 -10.416 399 HD22 ASN 63 2HD2 ASN 63 6.572 4.691 -10.697 400 H LYS 64 H LYS 64 10.624 8.138 -14.059 401 HA LYS 64 HA LYS 64 12.430 10.070 -13.163 402 HB2 LYS 64 1HB LYS 64 10.709 9.742 -15.569 403 HB3 LYS 64 2HB LYS 64 11.403 11.332 -15.278 404 HG2 LYS 64 1HG LYS 64 12.946 10.296 -16.667 405 HG3 LYS 64 2HG LYS 64 13.640 10.100 -15.056 406 HD2 LYS 64 1HD LYS 64 12.668 7.828 -14.955 407 HD3 LYS 64 2HD LYS 64 12.079 8.034 -16.606 408 HE2 LYS 64 1HE LYS 64 14.099 6.824 -16.782 409 HE3 LYS 64 2HE LYS 64 14.480 8.475 -17.267 410 HZ1 LYS 64 1HZ LYS 64 15.807 8.782 -15.497 411 HZ2 LYS 64 2HZ LYS 64 15.905 7.093 -15.498 412 HZ3 LYS 64 3HZ LYS 64 14.834 7.877 -14.450 413 H ASP 65 H ASP 65 8.974 9.942 -12.986 414 HA ASP 65 HA ASP 65 8.677 12.764 -12.418 415 HB2 ASP 65 1HB ASP 65 6.561 10.674 -11.969 416 HB3 ASP 65 2HB ASP 65 6.357 12.378 -12.368 417 H GLY 66 H GLY 66 10.476 11.491 -10.675 418 HA2 GLY 66 1HA GLY 66 10.864 11.004 -8.442 419 HA3 GLY 66 2HA GLY 66 9.927 12.476 -8.230 420 H THR 67 H THR 67 8.555 9.551 -9.563 421 HA THR 67 HA THR 67 6.958 9.257 -7.102 422 HB THR 67 HB THR 67 5.219 8.207 -8.587 423 HG1 THR 67 1HG THR 67 5.489 8.225 -10.731 424 HG21 THR 67 1HG2 THR 67 4.209 10.203 -8.643 425 HG22 THR 67 2HG2 THR 67 5.400 10.856 -9.768 426 HG23 THR 67 3HG2 THR 67 5.722 10.874 -8.035 427 H TYR 68 H TYR 68 6.141 7.042 -6.702 428 HA TYR 68 HA TYR 68 8.099 5.017 -7.569 429 HB2 TYR 68 1HB TYR 68 6.711 5.270 -4.894 430 HB3 TYR 68 2HB TYR 68 7.742 3.924 -5.366 431 HD1 TYR 68 2HD TYR 68 7.684 7.513 -4.533 432 HD2 TYR 68 1HD TYR 68 10.127 4.127 -5.352 433 HE1 TYR 68 2HE TYR 68 9.651 8.744 -3.721 434 HE2 TYR 68 1HE TYR 68 12.102 5.349 -4.540 435 HH TYR 68 HH TYR 68 12.427 8.382 -4.322 436 H ALA 69 H ALA 69 7.344 3.139 -8.368 437 HA ALA 69 HA ALA 69 4.442 2.880 -8.654 438 HB1 ALA 69 1HB ALA 69 5.000 1.196 -10.387 439 HB2 ALA 69 2HB ALA 69 5.671 2.793 -10.718 440 HB3 ALA 69 3HB ALA 69 6.710 1.512 -10.093 441 H VAL 70 H VAL 70 3.789 2.005 -6.713 442 HA VAL 70 HA VAL 70 5.066 -0.451 -5.777 443 HB VAL 70 HB VAL 70 2.984 1.345 -4.540 444 HG11 VAL 70 1HG1 VAL 70 3.963 -1.357 -3.663 445 HG12 VAL 70 2HG1 VAL 70 3.281 -0.189 -2.529 446 HG13 VAL 70 3HG1 VAL 70 2.302 -0.801 -3.862 447 HG21 VAL 70 1HG2 VAL 70 5.729 0.593 -3.551 448 HG22 VAL 70 2HG2 VAL 70 5.398 2.031 -4.516 449 HG23 VAL 70 3HG2 VAL 70 4.663 1.850 -2.923 450 H THR 71 H THR 71 4.098 -2.422 -5.764 451 HA THR 71 HA THR 71 1.307 -2.655 -6.595 452 HB THR 71 HB THR 71 3.237 -4.485 -7.946 453 HG1 THR 71 1HG THR 71 2.550 -2.099 -9.254 454 HG21 THR 71 1HG2 THR 71 1.525 -4.415 -9.707 455 HG22 THR 71 2HG2 THR 71 0.614 -3.232 -8.769 456 HG23 THR 71 3HG2 THR 71 0.834 -4.868 -8.150 457 H TYR 72 H TYR 72 0.316 -4.611 -6.007 458 HA TYR 72 HA TYR 72 1.912 -6.508 -4.453 459 HB2 TYR 72 1HB TYR 72 0.550 -6.401 -2.532 460 HB3 TYR 72 2HB TYR 72 0.851 -4.720 -2.958 461 HD1 TYR 72 2HD TYR 72 -1.661 -7.441 -3.302 462 HD2 TYR 72 1HD TYR 72 -0.935 -3.249 -3.296 463 HE1 TYR 72 2HE TYR 72 -4.085 -7.027 -3.353 464 HE2 TYR 72 1HE TYR 72 -3.357 -2.823 -3.346 465 HH TYR 72 HH TYR 72 -5.439 -3.964 -2.760 466 H VAL 73 H VAL 73 1.341 -8.570 -4.786 467 HA VAL 73 HA VAL 73 -1.144 -9.069 -6.290 468 HB VAL 73 HB VAL 73 1.410 -10.683 -6.257 469 HG11 VAL 73 1HG1 VAL 73 0.192 -11.844 -8.210 470 HG12 VAL 73 2HG1 VAL 73 -0.265 -12.271 -6.560 471 HG13 VAL 73 3HG1 VAL 73 -1.273 -11.170 -7.498 472 HG21 VAL 73 1HG2 VAL 73 0.159 -9.088 -8.490 473 HG22 VAL 73 2HG2 VAL 73 1.525 -8.551 -7.511 474 HG23 VAL 73 3HG2 VAL 73 1.686 -9.970 -8.546 475 HA PRO 74 HA PRO 74 -2.198 -11.074 -2.379 476 HB2 PRO 74 1HB PRO 74 -4.848 -11.250 -2.939 477 HB3 PRO 74 2HB PRO 74 -4.090 -9.772 -2.337 478 HG2 PRO 74 1HG PRO 74 -4.823 -10.518 -5.142 479 HG3 PRO 74 2HG PRO 74 -5.037 -8.970 -4.304 480 HD2 PRO 74 1HD PRO 74 -3.008 -9.419 -6.039 481 HD3 PRO 74 2HD PRO 74 -2.844 -8.344 -4.636 482 H LEU 75 H LEU 75 -2.125 -13.198 -1.992 483 HA LEU 75 HA LEU 75 -2.470 -15.051 -4.210 484 HB2 LEU 75 1HB LEU 75 -1.514 -15.512 -1.388 485 HB3 LEU 75 2HB LEU 75 -1.521 -16.716 -2.675 486 HG LEU 75 HG LEU 75 0.053 -14.160 -2.873 487 HD11 LEU 75 1HD1 LEU 75 1.379 -16.711 -2.141 488 HD12 LEU 75 2HD1 LEU 75 0.548 -15.818 -0.868 489 HD13 LEU 75 3HD1 LEU 75 1.842 -15.047 -1.784 490 HD21 LEU 75 1HD2 LEU 75 1.378 -15.566 -4.457 491 HD22 LEU 75 2HD2 LEU 75 -0.278 -15.246 -4.975 492 HD23 LEU 75 3HD2 LEU 75 0.145 -16.817 -4.292 493 H THR 76 H THR 76 -3.907 -14.283 -1.096 494 HA THR 76 HA THR 76 -6.091 -16.165 -1.714 495 HB THR 76 HB THR 76 -4.797 -16.946 0.225 496 HG1 THR 76 1HG THR 76 -6.741 -16.674 1.766 497 HG21 THR 76 1HG2 THR 76 -5.695 -14.449 1.653 498 HG22 THR 76 2HG2 THR 76 -4.096 -14.616 0.929 499 HG23 THR 76 3HG2 THR 76 -4.590 -15.696 2.232 500 H ALA 77 H ALA 77 -8.068 -15.312 -1.851 501 HA ALA 77 HA ALA 77 -8.493 -12.529 -1.742 502 HB1 ALA 77 1HB ALA 77 -9.941 -14.818 -2.575 503 HB2 ALA 77 2HB ALA 77 -10.980 -13.879 -1.503 504 HB3 ALA 77 3HB ALA 77 -10.269 -13.121 -2.928 505 H GLY 78 H GLY 78 -9.730 -11.269 -0.303 506 HA2 GLY 78 1HA GLY 78 -11.185 -11.634 1.823 507 HA3 GLY 78 2HA GLY 78 -9.681 -12.293 2.449 508 H MET 79 H MET 79 -10.285 -10.471 4.024 509 HA MET 79 HA MET 79 -9.802 -7.783 3.187 510 HB2 MET 79 1HB MET 79 -10.301 -9.173 5.766 511 HB3 MET 79 2HB MET 79 -9.500 -7.609 5.841 512 HG2 MET 79 1HG MET 79 -11.947 -7.833 4.183 513 HG3 MET 79 2HG MET 79 -12.128 -7.858 5.936 514 HE1 MET 79 1HE MET 79 -10.871 -6.128 2.859 515 HE2 MET 79 2HE MET 79 -10.707 -4.425 3.287 516 HE3 MET 79 3HE MET 79 -9.449 -5.574 3.743 517 H TYR 80 H TYR 80 -7.912 -6.836 2.837 518 HA TYR 80 HA TYR 80 -5.486 -8.102 3.918 519 HB2 TYR 80 1HB TYR 80 -6.095 -6.669 1.383 520 HB3 TYR 80 2HB TYR 80 -4.481 -6.469 2.056 521 HD1 TYR 80 2HD TYR 80 -6.854 -8.851 0.588 522 HD2 TYR 80 1HD TYR 80 -2.919 -8.313 2.112 523 HE1 TYR 80 2HE TYR 80 -6.184 -11.001 -0.401 524 HE2 TYR 80 1HE TYR 80 -2.237 -10.462 1.126 525 HH TYR 80 HH TYR 80 -2.978 -12.362 0.161 526 H THR 81 H THR 81 -3.790 -6.765 4.716 527 HA THR 81 HA THR 81 -4.708 -4.120 5.644 528 HB THR 81 HB THR 81 -2.851 -6.006 7.107 529 HG1 THR 81 1HG THR 81 -4.755 -5.934 8.609 530 HG21 THR 81 1HG2 THR 81 -3.952 -3.282 7.775 531 HG22 THR 81 2HG2 THR 81 -2.263 -3.780 7.680 532 HG23 THR 81 3HG2 THR 81 -3.283 -4.369 8.991 533 H LEU 82 H LEU 82 -3.705 -2.733 4.296 534 HA LEU 82 HA LEU 82 -1.007 -3.175 3.386 535 HB2 LEU 82 1HB LEU 82 -2.634 -0.662 3.098 536 HB3 LEU 82 2HB LEU 82 -1.274 -1.189 2.108 537 HG LEU 82 HG LEU 82 -3.799 -2.796 2.182 538 HD11 LEU 82 1HD1 LEU 82 -4.898 -0.973 1.459 539 HD12 LEU 82 2HD1 LEU 82 -4.098 -1.338 -0.069 540 HD13 LEU 82 3HD1 LEU 82 -3.417 -0.124 1.014 541 HD21 LEU 82 1HD2 LEU 82 -2.977 -3.104 -0.252 542 HD22 LEU 82 2HD2 LEU 82 -2.136 -3.946 1.050 543 HD23 LEU 82 3HD2 LEU 82 -1.447 -2.475 0.361 544 H THR 83 H THR 83 0.832 -2.243 4.107 545 HA THR 83 HA THR 83 0.627 -0.208 6.218 546 HB THR 83 HB THR 83 2.555 -2.532 6.335 547 HG1 THR 83 1HG THR 83 0.859 -3.571 7.067 548 HG21 THR 83 1HG2 THR 83 2.463 -1.598 8.829 549 HG22 THR 83 2HG2 THR 83 2.075 -0.104 7.975 550 HG23 THR 83 3HG2 THR 83 3.579 -0.954 7.625 551 H MET 84 H MET 84 1.417 1.511 5.128 552 HA MET 84 HA MET 84 3.987 1.187 3.731 553 HB2 MET 84 1HB MET 84 1.998 2.012 2.412 554 HB3 MET 84 2HB MET 84 2.027 3.460 3.409 555 HG2 MET 84 1HG MET 84 4.276 3.967 2.626 556 HG3 MET 84 2HG MET 84 4.268 2.504 1.643 557 HE1 MET 84 1HE MET 84 3.641 2.805 -1.068 558 HE2 MET 84 2HE MET 84 2.476 1.983 -0.030 559 HE3 MET 84 3HE MET 84 1.922 3.175 -1.206 560 H LYS 85 H LYS 85 5.729 2.052 4.635 561 HA LYS 85 HA LYS 85 5.373 4.269 6.543 562 HB2 LYS 85 1HB LYS 85 6.879 1.720 6.806 563 HB3 LYS 85 2HB LYS 85 7.623 3.163 7.482 564 HG2 LYS 85 1HG LYS 85 5.228 3.467 8.551 565 HG3 LYS 85 2HG LYS 85 5.170 1.718 8.318 566 HD2 LYS 85 1HD LYS 85 7.613 2.881 9.550 567 HD3 LYS 85 2HD LYS 85 6.147 2.809 10.530 568 HE2 LYS 85 1HE LYS 85 7.300 0.803 10.967 569 HE3 LYS 85 2HE LYS 85 5.995 0.367 9.865 570 HZ1 LYS 85 1HZ LYS 85 7.577 -0.580 8.646 571 HZ2 LYS 85 2HZ LYS 85 8.828 0.180 9.494 572 HZ3 LYS 85 3HZ LYS 85 8.067 0.980 8.212 573 H TYR 86 H TYR 86 6.347 6.062 5.897 574 HA TYR 86 HA TYR 86 8.577 5.854 3.994 575 HB2 TYR 86 1HB TYR 86 6.404 7.198 3.509 576 HB3 TYR 86 2HB TYR 86 7.099 8.400 4.590 577 HD1 TYR 86 1HD TYR 86 9.095 9.644 3.951 578 HD2 TYR 86 2HD TYR 86 7.370 6.774 1.327 579 HE1 TYR 86 1HE TYR 86 10.423 10.555 2.092 580 HE2 TYR 86 2HE TYR 86 8.694 7.676 -0.539 581 HH TYR 86 HH TYR 86 10.488 9.002 -1.052 582 H GLY 87 H GLY 87 10.482 5.885 5.006 583 HA2 GLY 87 1HA GLY 87 12.245 6.712 6.231 584 HA3 GLY 87 2HA GLY 87 11.311 8.181 6.466 585 H GLY 88 H GLY 88 10.258 4.961 7.418 586 HA2 GLY 88 1HA GLY 88 10.106 3.985 9.517 587 HA3 GLY 88 2HA GLY 88 11.024 5.331 10.175 588 H GLU 89 H GLU 89 8.618 6.690 8.413 589 HA GLU 89 HA GLU 89 6.822 6.816 10.747 590 HB2 GLU 89 1HB GLU 89 7.276 8.986 8.694 591 HB3 GLU 89 2HB GLU 89 6.294 9.102 10.147 592 HG2 GLU 89 1HG GLU 89 8.593 8.466 11.299 593 HG3 GLU 89 2HG GLU 89 9.237 9.197 9.829 594 H LEU 90 H LEU 90 4.745 6.297 10.447 595 HA LEU 90 HA LEU 90 3.873 5.109 8.046 596 HB2 LEU 90 1HB LEU 90 2.638 5.844 10.637 597 HB3 LEU 90 2HB LEU 90 1.551 5.553 9.281 598 HG LEU 90 HG LEU 90 3.586 3.576 10.307 599 HD11 LEU 90 1HD1 LEU 90 0.601 3.648 10.725 600 HD12 LEU 90 2HD1 LEU 90 1.817 4.009 11.950 601 HD13 LEU 90 3HD1 LEU 90 1.706 2.386 11.271 602 HD21 LEU 90 1HD2 LEU 90 2.971 2.187 8.648 603 HD22 LEU 90 2HD2 LEU 90 2.495 3.677 7.833 604 HD23 LEU 90 3HD2 LEU 90 1.288 2.714 8.687 605 H VAL 91 H VAL 91 2.343 5.785 6.521 606 HA VAL 91 HA VAL 91 2.285 8.676 6.116 607 HB VAL 91 HB VAL 91 1.094 7.801 3.908 608 HG11 VAL 91 1HG1 VAL 91 4.040 7.732 4.527 609 HG12 VAL 91 2HG1 VAL 91 3.387 7.590 2.894 610 HG13 VAL 91 3HG1 VAL 91 3.109 9.058 3.831 611 HG21 VAL 91 1HG2 VAL 91 1.644 5.642 3.237 612 HG22 VAL 91 2HG2 VAL 91 2.894 5.471 4.470 613 HG23 VAL 91 3HG2 VAL 91 1.192 5.433 4.929 614 HA PRO 92 HA PRO 92 -1.942 9.277 7.127 615 HB2 PRO 92 1HB PRO 92 -2.751 11.024 5.213 616 HB3 PRO 92 2HB PRO 92 -1.669 11.480 6.534 617 HG2 PRO 92 1HG PRO 92 -1.008 10.772 3.702 618 HG3 PRO 92 2HG PRO 92 -0.357 12.078 4.710 619 HD2 PRO 92 1HD PRO 92 0.977 9.758 4.290 620 HD3 PRO 92 2HD PRO 92 1.105 10.672 5.806 621 H HIS 93 H HIS 93 -1.057 7.465 4.544 622 HA HIS 93 HA HIS 93 -3.851 6.942 3.764 623 HB2 HIS 93 1HB HIS 93 -1.409 6.417 2.063 624 HB3 HIS 93 2HB HIS 93 -3.096 6.301 1.572 625 HD1 HIS 93 1HD HIS 93 -4.098 8.342 0.553 626 HD2 HIS 93 2HD HIS 93 -0.587 9.174 2.614 627 HE1 HIS 93 1HE HIS 93 -3.593 10.758 0.073 628 HE2 HIS 93 2HE HIS 93 -1.419 11.216 1.261 629 H PHE 94 H PHE 94 -1.839 5.804 5.834 630 HA PHE 94 HA PHE 94 -2.683 3.060 5.492 631 HB2 PHE 94 1HB PHE 94 0.255 3.775 5.578 632 HB3 PHE 94 2HB PHE 94 -0.390 2.144 5.726 633 HD1 PHE 94 2HD PHE 94 -0.260 5.059 3.432 634 HD2 PHE 94 1HD PHE 94 -0.779 0.854 3.834 635 HE1 PHE 94 2HE PHE 94 -0.210 4.823 0.984 636 HE2 PHE 94 1HE PHE 94 -0.729 0.610 1.386 637 HZ PHE 94 HZ PHE 94 -0.446 2.596 -0.042 638 HA PRO 95 HA PRO 95 -1.875 1.078 6.493 639 HB2 PRO 95 1HB PRO 95 -3.535 -0.384 8.067 640 HB3 PRO 95 2HB PRO 95 -1.798 -0.250 8.366 641 HG2 PRO 95 1HG PRO 95 -4.062 1.219 9.661 642 HG3 PRO 95 2HG PRO 95 -2.619 0.504 10.406 643 HD2 PRO 95 1HD PRO 95 -2.833 3.155 9.894 644 HD3 PRO 95 2HD PRO 95 -1.283 2.292 9.831 645 H ALA 96 H ALA 96 -3.477 0.150 5.164 646 HA ALA 96 HA ALA 96 -6.158 1.335 5.304 647 HB1 ALA 96 1HB ALA 96 -5.534 1.118 2.568 648 HB2 ALA 96 2HB ALA 96 -5.816 2.586 3.505 649 HB3 ALA 96 3HB ALA 96 -4.180 1.950 3.334 650 H ARG 97 H ARG 97 -7.699 -0.155 5.142 651 HA ARG 97 HA ARG 97 -6.967 -2.860 4.347 652 HB2 ARG 97 1HB ARG 97 -9.129 -3.510 5.283 653 HB3 ARG 97 2HB ARG 97 -8.215 -2.544 6.434 654 HG2 ARG 97 1HG ARG 97 -10.231 -1.542 6.662 655 HG3 ARG 97 2HG ARG 97 -9.612 -0.585 5.315 656 HD2 ARG 97 1HD ARG 97 -10.980 -1.608 3.782 657 HD3 ARG 97 2HD ARG 97 -11.099 -3.095 4.722 658 HE ARG 97 HE ARG 97 -12.917 -2.222 5.806 659 HH11 ARG 97 1HH1 ARG 97 -11.231 0.339 4.159 660 HH12 ARG 97 2HH1 ARG 97 -12.457 1.523 4.468 661 HH21 ARG 97 1HH2 ARG 97 -14.540 -0.673 6.220 662 HH22 ARG 97 2HH2 ARG 97 -14.338 0.946 5.642 663 H VAL 98 H VAL 98 -7.809 -3.950 2.623 664 HA VAL 98 HA VAL 98 -9.792 -2.597 0.942 665 HB VAL 98 HB VAL 98 -7.177 -3.689 -0.109 666 HG11 VAL 98 1HG1 VAL 98 -7.919 -3.274 -2.270 667 HG12 VAL 98 2HG1 VAL 98 -9.344 -3.961 -1.490 668 HG13 VAL 98 3HG1 VAL 98 -9.222 -2.218 -1.727 669 HG21 VAL 98 1HG2 VAL 98 -7.967 -0.889 -0.594 670 HG22 VAL 98 2HG2 VAL 98 -7.514 -1.287 1.063 671 HG23 VAL 98 3HG2 VAL 98 -6.380 -1.580 -0.255 672 H LYS 99 H LYS 99 -11.303 -3.943 0.193 673 HA LYS 99 HA LYS 99 -11.181 -6.731 0.876 674 HB2 LYS 99 1HB LYS 99 -13.286 -5.524 1.069 675 HB3 LYS 99 2HB LYS 99 -13.251 -5.136 -0.646 676 HG2 LYS 99 1HG LYS 99 -13.705 -7.341 -1.273 677 HG3 LYS 99 2HG LYS 99 -13.278 -7.974 0.318 678 HD2 LYS 99 1HD LYS 99 -15.593 -8.048 0.360 679 HD3 LYS 99 2HD LYS 99 -15.252 -6.506 1.149 680 HE2 LYS 99 1HE LYS 99 -15.631 -6.547 -1.804 681 HE3 LYS 99 2HE LYS 99 -17.051 -6.704 -0.770 682 HZ1 LYS 99 1HZ LYS 99 -16.319 -4.643 0.366 683 HZ2 LYS 99 2HZ LYS 99 -16.728 -4.411 -1.259 684 HZ3 LYS 99 3HZ LYS 99 -15.101 -4.468 -0.796 685 H VAL 100 H VAL 100 -10.524 -8.363 -0.362 686 HA VAL 100 HA VAL 100 -10.104 -7.846 -3.233 687 HB VAL 100 HB VAL 100 -8.618 -9.670 -1.345 688 HG11 VAL 100 1HG1 VAL 100 -9.118 -10.046 -4.125 689 HG12 VAL 100 2HG1 VAL 100 -7.411 -9.659 -3.902 690 HG13 VAL 100 3HG1 VAL 100 -8.129 -11.019 -3.038 691 HG21 VAL 100 1HG2 VAL 100 -8.208 -7.037 -1.932 692 HG22 VAL 100 2HG2 VAL 100 -6.964 -8.154 -1.372 693 HG23 VAL 100 3HG2 VAL 100 -7.153 -7.838 -3.097 694 H GLU 101 H GLU 101 -11.376 -8.916 -4.585 695 HA GLU 101 HA GLU 101 -13.052 -11.066 -3.617 696 HB2 GLU 101 1HB GLU 101 -12.926 -9.409 -6.096 697 HB3 GLU 101 2HB GLU 101 -13.747 -10.961 -6.170 698 HG2 GLU 101 1HG GLU 101 -15.112 -10.205 -4.195 699 HG3 GLU 101 2HG GLU 101 -14.416 -8.603 -4.435 700 HA PRO 102 HA PRO 102 -10.768 -14.489 -5.137 701 HB2 PRO 102 1HB PRO 102 -12.745 -16.141 -5.995 702 HB3 PRO 102 2HB PRO 102 -12.424 -15.835 -4.284 703 HG2 PRO 102 1HG PRO 102 -14.504 -14.628 -6.066 704 HG3 PRO 102 2HG PRO 102 -14.659 -15.204 -4.396 705 HD2 PRO 102 1HD PRO 102 -14.393 -12.581 -5.013 706 HD3 PRO 102 2HD PRO 102 -13.747 -13.279 -3.514 707 H ALA 103 H ALA 103 -9.983 -15.486 -7.007 708 HA ALA 103 HA ALA 103 -10.489 -14.028 -9.456 709 HB1 ALA 103 1HB ALA 103 -8.671 -16.359 -9.472 710 HB2 ALA 103 2HB ALA 103 -8.459 -14.746 -10.155 711 HB3 ALA 103 3HB ALA 103 -8.223 -15.010 -8.427 712 H VAL 104 H VAL 104 -12.713 -15.521 -8.619 713 HA VAL 104 HA VAL 104 -12.985 -18.062 -9.718 714 HB VAL 104 HB VAL 104 -14.657 -17.012 -8.229 715 HG11 VAL 104 1HG1 VAL 104 -16.226 -15.401 -9.025 716 HG12 VAL 104 2HG1 VAL 104 -14.610 -14.789 -9.382 717 HG13 VAL 104 3HG1 VAL 104 -15.587 -15.504 -10.665 718 HG21 VAL 104 1HG2 VAL 104 -16.672 -17.653 -9.884 719 HG22 VAL 104 2HG2 VAL 104 -15.325 -18.375 -10.764 720 HG23 VAL 104 3HG2 VAL 104 -15.646 -18.853 -9.097 721 H ASP 105 H ASP 105 -13.008 -18.801 -11.733 722 HA ASP 105 HA ASP 105 -13.919 -17.071 -13.906 723 HB2 ASP 105 1HB ASP 105 -11.518 -16.733 -13.898 724 HB3 ASP 105 2HB ASP 105 -11.239 -18.472 -13.863 725 H THR 106 H THR 106 -14.119 -18.337 -15.984 726 HA THR 106 HA THR 106 -15.902 -20.355 -15.839 727 HB THR 106 HB THR 106 -15.042 -21.154 -18.086 728 HG1 THR 106 1HG THR 106 -13.335 -18.909 -18.029 729 HG21 THR 106 1HG2 THR 106 -15.190 -18.305 -18.556 730 HG22 THR 106 2HG2 THR 106 -16.384 -18.819 -17.364 731 HG23 THR 106 3HG2 THR 106 -16.350 -19.570 -18.959 732 H SER 107 H SER 107 -12.396 -20.891 -16.235 733 HA SER 107 HA SER 107 -12.784 -23.584 -15.101 734 HB2 SER 107 1HB SER 107 -12.073 -23.608 -17.475 735 HB3 SER 107 2HB SER 107 -10.633 -22.688 -17.036 736 HG SER 107 HG SER 107 -9.810 -24.413 -16.035 737 H SER 108 H SER 108 -12.155 -23.562 -13.045 738 HA SER 108 HA SER 108 -10.296 -21.704 -11.973 739 HB2 SER 108 1HB SER 108 -11.730 -24.115 -10.928 740 HB3 SER 108 2HB SER 108 -10.390 -23.448 -9.996 741 HG SER 108 HG SER 108 -12.249 -21.618 -10.925 742 H GLY 109 H GLY 109 -10.069 -25.258 -12.280 743 HA2 GLY 109 1HA GLY 109 -7.133 -24.949 -12.335 744 HA3 GLY 109 2HA GLY 109 -7.972 -26.375 -11.742 745 HA PRO 110 HA PRO 110 -6.744 -26.716 -16.323 746 HB2 PRO 110 1HB PRO 110 -4.688 -28.465 -16.038 747 HB3 PRO 110 2HB PRO 110 -4.466 -26.711 -16.024 748 HG2 PRO 110 1HG PRO 110 -4.634 -28.618 -13.722 749 HG3 PRO 110 2HG PRO 110 -3.526 -27.255 -13.968 750 HD2 PRO 110 1HD PRO 110 -5.709 -27.089 -12.375 751 HD3 PRO 110 2HD PRO 110 -5.087 -25.701 -13.291 752 H SER 111 H SER 111 -7.519 -28.359 -17.570 753 HA SER 111 HA SER 111 -8.583 -30.694 -16.138 754 HB2 SER 111 1HB SER 111 -10.118 -29.117 -17.463 755 HB3 SER 111 2HB SER 111 -9.394 -29.822 -18.908 756 HG SER 111 HG SER 111 -10.085 -31.879 -18.116 757 H SER 112 H SER 112 -7.186 -29.862 -19.312 758 HA SER 112 HA SER 112 -6.589 -32.555 -19.988 759 HB2 SER 112 1HB SER 112 -6.884 -30.632 -21.612 760 HB3 SER 112 2HB SER 112 -5.274 -30.089 -21.140 761 HG SER 112 HG SER 112 -4.574 -32.267 -21.762 762 H GLY 113 H GLY 113 -5.290 -33.651 -18.617 763 HA2 GLY 113 1HA GLY 113 -3.234 -34.375 -17.838 764 HA3 GLY 113 2HA GLY 113 -2.496 -32.961 -18.576 Start of MODEL 3 1 H1 GLY 1 H GLY 1 21.256 32.103 -8.188 2 HA2 GLY 1 1HA GLY 1 23.578 31.257 -8.068 3 HA3 GLY 1 2HA GLY 1 22.759 31.058 -6.526 4 H SER 2 H SER 2 23.935 29.282 -5.871 5 HA SER 2 HA SER 2 24.333 26.993 -7.521 6 HB2 SER 2 1HB SER 2 24.509 27.157 -4.504 7 HB3 SER 2 2HB SER 2 25.259 25.947 -5.545 8 HG SER 2 HG SER 2 25.997 28.585 -5.055 9 H SER 3 H SER 3 23.117 25.219 -7.789 10 HA SER 3 HA SER 3 20.447 25.213 -6.668 11 HB2 SER 3 1HB SER 3 21.794 23.362 -8.649 12 HB3 SER 3 2HB SER 3 20.099 23.255 -8.172 13 HG SER 3 HG SER 3 19.654 24.880 -9.431 14 H GLY 4 H GLY 4 19.556 22.996 -5.983 15 HA2 GLY 4 1HA GLY 4 20.002 20.886 -4.908 16 HA3 GLY 4 2HA GLY 4 21.549 21.532 -4.380 17 H SER 5 H SER 5 18.120 21.425 -3.779 18 HA SER 5 HA SER 5 18.562 22.091 -1.006 19 HB2 SER 5 1HB SER 5 17.261 24.045 -0.871 20 HB3 SER 5 2HB SER 5 18.244 24.297 -2.313 21 HG SER 5 HG SER 5 15.573 24.205 -2.091 22 H SER 6 H SER 6 16.679 21.700 0.322 23 HA SER 6 HA SER 6 14.272 20.645 -0.765 24 HB2 SER 6 1HB SER 6 15.921 18.765 -1.185 25 HB3 SER 6 2HB SER 6 16.058 18.601 0.566 26 HG SER 6 HG SER 6 14.157 17.652 -1.069 27 H GLY 7 H GLY 7 12.678 20.431 0.778 28 HA2 GLY 7 1HA GLY 7 13.173 21.729 3.282 29 HA3 GLY 7 2HA GLY 7 11.645 21.045 2.747 30 HA PRO 8 HA PRO 8 13.482 18.457 6.195 31 HB2 PRO 8 1HB PRO 8 11.352 18.664 7.866 32 HB3 PRO 8 2HB PRO 8 12.687 19.822 7.863 33 HG2 PRO 8 1HG PRO 8 9.990 20.038 6.582 34 HG3 PRO 8 2HG PRO 8 10.901 21.262 7.485 35 HD2 PRO 8 1HD PRO 8 10.806 21.219 4.779 36 HD3 PRO 8 2HD PRO 8 12.227 21.792 5.676 37 H PHE 9 H PHE 9 12.898 16.337 6.694 38 HA PHE 9 HA PHE 9 11.300 14.993 4.795 39 HB2 PHE 9 1HB PHE 9 12.935 13.606 5.630 40 HB3 PHE 9 2HB PHE 9 12.766 14.218 7.272 41 HD1 PHE 9 2HD PHE 9 10.883 13.438 8.686 42 HD2 PHE 9 1HD PHE 9 11.731 11.714 4.888 43 HE1 PHE 9 2HE PHE 9 9.523 11.475 9.278 44 HE2 PHE 9 1HE PHE 9 10.371 9.748 5.473 45 HZ PHE 9 HZ PHE 9 9.267 9.626 7.671 46 H ASP 10 H ASP 10 9.255 14.184 4.877 47 HA ASP 10 HA ASP 10 7.706 14.142 7.287 48 HB2 ASP 10 1HB ASP 10 7.429 16.390 5.357 49 HB3 ASP 10 2HB ASP 10 5.947 15.706 6.018 50 HA PRO 11 HA PRO 11 6.133 10.918 4.617 51 HB2 PRO 11 1HB PRO 11 4.626 9.721 6.532 52 HB3 PRO 11 2HB PRO 11 6.377 9.509 6.416 53 HG2 PRO 11 1HG PRO 11 4.802 11.315 8.210 54 HG3 PRO 11 2HG PRO 11 6.208 10.305 8.594 55 HD2 PRO 11 1HD PRO 11 6.405 12.970 8.155 56 HD3 PRO 11 2HD PRO 11 7.700 11.833 7.728 57 H SER 12 H SER 12 4.354 13.277 6.436 58 HA SER 12 HA SER 12 1.742 12.572 5.606 59 HB2 SER 12 1HB SER 12 2.996 15.044 6.751 60 HB3 SER 12 2HB SER 12 1.348 15.113 6.128 61 HG SER 12 HG SER 12 2.008 13.020 7.853 62 H LYS 13 H LYS 13 4.270 14.544 4.189 63 HA LYS 13 HA LYS 13 2.720 15.826 2.216 64 HB2 LYS 13 1HB LYS 13 5.646 15.071 2.090 65 HB3 LYS 13 2HB LYS 13 4.843 16.283 1.100 66 HG2 LYS 13 1HG LYS 13 4.975 16.457 4.096 67 HG3 LYS 13 2HG LYS 13 6.206 17.145 3.035 68 HD2 LYS 13 1HD LYS 13 4.755 18.731 2.167 69 HD3 LYS 13 2HD LYS 13 3.319 17.803 2.606 70 HE2 LYS 13 1HE LYS 13 3.252 19.444 4.201 71 HE3 LYS 13 2HE LYS 13 4.195 18.219 5.048 72 HZ1 LYS 13 1HZ LYS 13 5.899 19.876 3.516 73 HZ2 LYS 13 2HZ LYS 13 5.894 19.610 5.187 74 HZ3 LYS 13 3HZ LYS 13 4.930 20.832 4.523 75 H VAL 14 H VAL 14 3.894 12.604 2.495 76 HA VAL 14 HA VAL 14 3.880 11.947 -0.283 77 HB VAL 14 HB VAL 14 3.714 10.153 2.142 78 HG11 VAL 14 1HG1 VAL 14 3.082 8.619 0.626 79 HG12 VAL 14 2HG1 VAL 14 3.616 9.601 -0.740 80 HG13 VAL 14 3HG1 VAL 14 4.783 8.635 0.162 81 HG21 VAL 14 1HG2 VAL 14 5.785 11.229 2.248 82 HG22 VAL 14 2HG2 VAL 14 6.139 9.709 1.426 83 HG23 VAL 14 3HG2 VAL 14 5.994 11.201 0.497 84 H VAL 15 H VAL 15 2.222 11.448 -1.561 85 HA VAL 15 HA VAL 15 -0.375 10.833 -0.305 86 HB VAL 15 HB VAL 15 0.133 12.392 -2.843 87 HG11 VAL 15 1HG1 VAL 15 -2.020 10.756 -2.312 88 HG12 VAL 15 2HG1 VAL 15 -2.590 12.352 -1.820 89 HG13 VAL 15 3HG1 VAL 15 -1.992 12.094 -3.460 90 HG21 VAL 15 1HG2 VAL 15 0.422 13.994 -1.257 91 HG22 VAL 15 2HG2 VAL 15 -1.340 14.029 -1.340 92 HG23 VAL 15 3HG2 VAL 15 -0.535 13.132 -0.052 93 H ALA 16 H ALA 16 -0.769 8.738 -0.594 94 HA ALA 16 HA ALA 16 0.069 7.450 -3.094 95 HB1 ALA 16 1HB ALA 16 -1.067 5.828 -0.899 96 HB2 ALA 16 2HB ALA 16 0.306 5.506 -1.959 97 HB3 ALA 16 3HB ALA 16 0.487 6.604 -0.591 98 H SER 17 H SER 17 -1.359 6.609 -4.517 99 HA SER 17 HA SER 17 -4.170 6.364 -3.784 100 HB2 SER 17 1HB SER 17 -3.725 8.703 -4.715 101 HB3 SER 17 2HB SER 17 -3.405 7.914 -6.259 102 HG SER 17 HG SER 17 -5.802 8.243 -4.884 103 H GLY 18 H GLY 18 -5.400 5.617 -5.925 104 HA2 GLY 18 1HA GLY 18 -4.817 4.366 -8.056 105 HA3 GLY 18 2HA GLY 18 -3.769 3.413 -7.017 106 HA PRO 19 HA PRO 19 -8.186 1.680 -7.273 107 HB2 PRO 19 1HB PRO 19 -7.654 -0.477 -8.833 108 HB3 PRO 19 2HB PRO 19 -8.141 1.088 -9.492 109 HG2 PRO 19 1HG PRO 19 -5.403 -0.099 -9.256 110 HG3 PRO 19 2HG PRO 19 -6.126 0.786 -10.613 111 HD2 PRO 19 1HD PRO 19 -4.418 1.946 -8.862 112 HD3 PRO 19 2HD PRO 19 -5.737 2.841 -9.644 113 H GLY 20 H GLY 20 -4.979 0.335 -6.823 114 HA2 GLY 20 1HA GLY 20 -5.708 -2.094 -5.593 115 HA3 GLY 20 2HA GLY 20 -4.169 -1.269 -5.395 116 H LEU 21 H LEU 21 -5.504 1.164 -4.358 117 HA LEU 21 HA LEU 21 -5.638 0.311 -1.596 118 HB2 LEU 21 1HB LEU 21 -5.423 2.902 -3.032 119 HB3 LEU 21 2HB LEU 21 -6.097 2.917 -1.403 120 HG LEU 21 HG LEU 21 -3.483 1.558 -1.864 121 HD11 LEU 21 1HD1 LEU 21 -2.502 3.396 -2.626 122 HD12 LEU 21 2HD1 LEU 21 -2.880 4.168 -1.087 123 HD13 LEU 21 3HD1 LEU 21 -3.986 4.332 -2.450 124 HD21 LEU 21 1HD2 LEU 21 -4.578 3.213 0.408 125 HD22 LEU 21 2HD2 LEU 21 -3.074 2.290 0.408 126 HD23 LEU 21 3HD2 LEU 21 -4.624 1.452 0.316 127 H GLU 22 H GLU 22 -7.830 0.251 -3.957 128 HA GLU 22 HA GLU 22 -10.050 1.061 -2.196 129 HB2 GLU 22 1HB GLU 22 -10.169 0.810 -5.201 130 HB3 GLU 22 2HB GLU 22 -11.372 1.525 -4.138 131 HG2 GLU 22 1HG GLU 22 -9.466 3.167 -3.509 132 HG3 GLU 22 2HG GLU 22 -8.741 2.619 -5.019 133 H HIS 23 H HIS 23 -8.812 -1.405 -4.370 134 HA HIS 23 HA HIS 23 -10.187 -3.478 -2.994 135 HB2 HIS 23 1HB HIS 23 -11.712 -4.214 -4.685 136 HB3 HIS 23 2HB HIS 23 -12.031 -2.504 -4.405 137 HD1 HIS 23 1HD HIS 23 -12.294 -4.501 -7.087 138 HD2 HIS 23 2HD HIS 23 -9.864 -1.193 -6.443 139 HE1 HIS 23 1HE HIS 23 -11.705 -3.644 -9.376 140 HE2 HIS 23 2HE HIS 23 -10.166 -1.694 -8.963 141 H GLY 24 H GLY 24 -9.800 -5.632 -4.028 142 HA2 GLY 24 1HA GLY 24 -7.656 -5.690 -6.002 143 HA3 GLY 24 2HA GLY 24 -7.256 -6.301 -4.404 144 H LYS 25 H LYS 25 -6.974 -7.995 -6.464 145 HA LYS 25 HA LYS 25 -9.102 -9.937 -5.952 146 HB2 LYS 25 1HB LYS 25 -9.345 -8.611 -8.202 147 HB3 LYS 25 2HB LYS 25 -8.053 -9.672 -8.746 148 HG2 LYS 25 1HG LYS 25 -9.479 -11.613 -8.056 149 HG3 LYS 25 2HG LYS 25 -10.788 -10.462 -7.778 150 HD2 LYS 25 1HD LYS 25 -10.167 -9.707 -10.234 151 HD3 LYS 25 2HD LYS 25 -9.544 -11.355 -10.331 152 HE2 LYS 25 1HE LYS 25 -11.703 -11.691 -11.016 153 HE3 LYS 25 2HE LYS 25 -11.880 -11.949 -9.282 154 HZ1 LYS 25 1HZ LYS 25 -12.969 -9.871 -10.946 155 HZ2 LYS 25 2HZ LYS 25 -12.250 -9.286 -9.531 156 HZ3 LYS 25 3HZ LYS 25 -13.490 -10.433 -9.438 157 H VAL 26 H VAL 26 -8.383 -11.986 -5.708 158 HA VAL 26 HA VAL 26 -5.732 -12.545 -5.175 159 HB VAL 26 HB VAL 26 -7.933 -14.426 -6.025 160 HG11 VAL 26 1HG1 VAL 26 -6.231 -15.985 -4.631 161 HG12 VAL 26 2HG1 VAL 26 -6.234 -15.864 -6.391 162 HG13 VAL 26 3HG1 VAL 26 -5.088 -14.917 -5.443 163 HG21 VAL 26 1HG2 VAL 26 -8.689 -14.033 -3.971 164 HG22 VAL 26 2HG2 VAL 26 -7.236 -14.819 -3.351 165 HG23 VAL 26 3HG2 VAL 26 -7.267 -13.069 -3.570 166 H GLY 27 H GLY 27 -4.060 -12.380 -6.520 167 HA2 GLY 27 1HA GLY 27 -2.782 -13.415 -8.274 168 HA3 GLY 27 2HA GLY 27 -4.279 -13.675 -9.156 169 H GLU 28 H GLU 28 -5.181 -10.904 -8.518 170 HA GLU 28 HA GLU 28 -4.073 -9.649 -10.833 171 HB2 GLU 28 1HB GLU 28 -6.143 -8.950 -8.805 172 HB3 GLU 28 2HB GLU 28 -5.461 -7.649 -9.772 173 HG2 GLU 28 1HG GLU 28 -6.522 -10.118 -11.079 174 HG3 GLU 28 2HG GLU 28 -7.609 -8.826 -10.572 175 H ALA 29 H ALA 29 -3.652 -7.095 -10.425 176 HA ALA 29 HA ALA 29 -1.599 -6.911 -8.319 177 HB1 ALA 29 1HB ALA 29 -1.030 -5.263 -10.639 178 HB2 ALA 29 2HB ALA 29 0.007 -6.401 -9.777 179 HB3 ALA 29 3HB ALA 29 -1.087 -6.982 -11.033 180 H GLY 30 H GLY 30 -1.993 -5.325 -6.928 181 HA2 GLY 30 1HA GLY 30 -4.029 -3.359 -7.474 182 HA3 GLY 30 2HA GLY 30 -3.110 -3.527 -5.985 183 H LEU 31 H LEU 31 -3.442 -1.839 -8.938 184 HA LEU 31 HA LEU 31 -0.867 -0.724 -9.179 185 HB2 LEU 31 1HB LEU 31 -3.503 0.497 -9.985 186 HB3 LEU 31 2HB LEU 31 -1.911 0.954 -10.588 187 HG LEU 31 HG LEU 31 -3.174 -1.749 -11.028 188 HD11 LEU 31 1HD1 LEU 31 -3.689 -1.011 -13.265 189 HD12 LEU 31 2HD1 LEU 31 -3.001 0.578 -12.935 190 HD13 LEU 31 3HD1 LEU 31 -4.465 0.061 -12.099 191 HD21 LEU 31 1HD2 LEU 31 -0.760 -1.792 -11.143 192 HD22 LEU 31 2HD2 LEU 31 -0.756 -0.399 -12.225 193 HD23 LEU 31 3HD2 LEU 31 -1.434 -1.936 -12.767 194 H LEU 32 H LEU 32 0.160 0.623 -7.871 195 HA LEU 32 HA LEU 32 -1.405 2.580 -6.333 196 HB2 LEU 32 1HB LEU 32 0.945 1.004 -5.292 197 HB3 LEU 32 2HB LEU 32 0.061 2.252 -4.415 198 HG LEU 32 HG LEU 32 -1.010 -0.440 -5.259 199 HD11 LEU 32 1HD1 LEU 32 -0.891 -1.075 -3.015 200 HD12 LEU 32 2HD1 LEU 32 -0.641 0.581 -2.463 201 HD13 LEU 32 3HD1 LEU 32 0.647 -0.267 -3.318 202 HD21 LEU 32 1HD2 LEU 32 -2.837 0.473 -3.552 203 HD22 LEU 32 2HD2 LEU 32 -2.938 0.760 -5.290 204 HD23 LEU 32 3HD2 LEU 32 -2.307 2.016 -4.223 205 H SER 33 H SER 33 -0.603 4.608 -6.301 206 HA SER 33 HA SER 33 2.059 5.031 -7.494 207 HB2 SER 33 1HB SER 33 1.013 7.294 -8.224 208 HB3 SER 33 2HB SER 33 0.604 5.843 -9.139 209 HG SER 33 HG SER 33 -1.012 6.517 -6.965 210 H VAL 34 H VAL 34 3.417 6.446 -6.505 211 HA VAL 34 HA VAL 34 2.414 7.778 -4.072 212 HB VAL 34 HB VAL 34 5.130 6.525 -4.503 213 HG11 VAL 34 1HG1 VAL 34 5.133 7.115 -1.909 214 HG12 VAL 34 2HG1 VAL 34 5.718 8.244 -3.133 215 HG13 VAL 34 3HG1 VAL 34 4.091 8.421 -2.473 216 HG21 VAL 34 1HG2 VAL 34 3.514 5.692 -2.215 217 HG22 VAL 34 2HG2 VAL 34 2.793 5.298 -3.775 218 HG23 VAL 34 3HG2 VAL 34 4.413 4.722 -3.382 219 H ASP 35 H ASP 35 2.456 9.909 -4.268 220 HA ASP 35 HA ASP 35 4.431 11.137 -6.064 221 HB2 ASP 35 1HB ASP 35 1.811 11.490 -6.191 222 HB3 ASP 35 2HB ASP 35 2.136 12.676 -4.930 223 H CYS 36 H CYS 36 6.192 11.830 -5.053 224 HA CYS 36 HA CYS 36 5.949 12.868 -2.316 225 HB2 CYS 36 1HB CYS 36 7.571 11.180 -2.309 226 HB3 CYS 36 2HB CYS 36 8.223 11.668 -3.868 227 HG CYS 36 HG CYS 36 8.620 14.169 -1.810 228 H SER 37 H SER 37 5.770 14.998 -2.174 229 HA SER 37 HA SER 37 7.061 16.676 -4.211 230 HB2 SER 37 1HB SER 37 5.530 18.473 -3.307 231 HB3 SER 37 2HB SER 37 4.708 17.114 -4.073 232 HG SER 37 HG SER 37 3.815 16.638 -2.232 233 H GLU 38 H GLU 38 6.256 16.997 -0.748 234 HA GLU 38 HA GLU 38 8.943 18.136 -0.337 235 HB2 GLU 38 1HB GLU 38 6.268 19.016 0.653 236 HB3 GLU 38 2HB GLU 38 7.665 19.259 1.692 237 HG2 GLU 38 1HG GLU 38 7.322 20.310 -1.107 238 HG3 GLU 38 2HG GLU 38 7.210 21.243 0.385 239 H ALA 39 H ALA 39 7.923 15.350 -0.079 240 HA ALA 39 HA ALA 39 7.734 14.734 2.699 241 HB1 ALA 39 1HB ALA 39 7.022 12.801 1.881 242 HB2 ALA 39 2HB ALA 39 7.433 13.343 0.254 243 HB3 ALA 39 3HB ALA 39 8.623 12.472 1.219 244 H GLY 40 H GLY 40 10.311 15.707 0.813 245 HA2 GLY 40 1HA GLY 40 12.566 15.835 1.230 246 HA3 GLY 40 2HA GLY 40 12.208 15.316 2.870 247 HA PRO 41 HA PRO 41 14.736 11.978 0.966 248 HB2 PRO 41 1HB PRO 41 16.151 11.467 3.226 249 HB3 PRO 41 2HB PRO 41 16.600 12.733 2.077 250 HG2 PRO 41 1HG PRO 41 15.122 12.966 4.670 251 HG3 PRO 41 2HG PRO 41 16.409 13.998 4.019 252 HD2 PRO 41 1HD PRO 41 13.792 14.682 3.898 253 HD3 PRO 41 2HD PRO 41 14.961 15.154 2.648 254 H GLY 42 H GLY 42 15.376 9.817 2.420 255 HA2 GLY 42 1HA GLY 42 14.511 8.173 3.922 256 HA3 GLY 42 2HA GLY 42 12.945 8.965 3.834 257 H ALA 43 H ALA 43 13.841 6.137 3.362 258 HA ALA 43 HA ALA 43 13.272 5.742 0.538 259 HB1 ALA 43 1HB ALA 43 13.816 3.718 2.709 260 HB2 ALA 43 2HB ALA 43 13.715 3.387 0.979 261 HB3 ALA 43 3HB ALA 43 15.015 4.399 1.609 262 H LEU 44 H LEU 44 11.554 4.391 -0.216 263 HA LEU 44 HA LEU 44 9.182 4.526 1.513 264 HB2 LEU 44 1HB LEU 44 8.685 5.721 -0.402 265 HB3 LEU 44 2HB LEU 44 9.595 4.628 -1.442 266 HG LEU 44 HG LEU 44 7.804 2.934 -1.139 267 HD11 LEU 44 1HD1 LEU 44 5.606 3.820 -0.291 268 HD12 LEU 44 2HD1 LEU 44 6.505 5.181 0.380 269 HD13 LEU 44 3HD1 LEU 44 6.842 3.542 0.936 270 HD21 LEU 44 1HD2 LEU 44 6.327 5.275 -2.133 271 HD22 LEU 44 2HD2 LEU 44 6.689 3.739 -2.921 272 HD23 LEU 44 3HD2 LEU 44 7.910 5.012 -2.864 273 H GLY 45 H GLY 45 8.109 2.727 2.101 274 HA2 GLY 45 1HA GLY 45 8.548 0.227 0.667 275 HA3 GLY 45 2HA GLY 45 9.099 0.270 2.335 276 H LEU 46 H LEU 46 6.755 -0.961 0.610 277 HA LEU 46 HA LEU 46 4.665 -0.399 2.611 278 HB2 LEU 46 1HB LEU 46 3.897 0.410 0.527 279 HB3 LEU 46 2HB LEU 46 4.459 -1.030 -0.320 280 HG LEU 46 HG LEU 46 2.683 -2.237 1.183 281 HD11 LEU 46 1HD1 LEU 46 1.107 0.235 0.913 282 HD12 LEU 46 2HD1 LEU 46 2.318 0.233 2.195 283 HD13 LEU 46 3HD1 LEU 46 1.068 -1.011 2.161 284 HD21 LEU 46 1HD2 LEU 46 2.451 -0.778 -1.373 285 HD22 LEU 46 2HD2 LEU 46 0.939 -1.308 -0.634 286 HD23 LEU 46 3HD2 LEU 46 2.198 -2.485 -1.011 287 H GLU 47 H GLU 47 3.465 -2.127 3.420 288 HA GLU 47 HA GLU 47 4.462 -4.813 2.745 289 HB2 GLU 47 1HB GLU 47 5.407 -3.979 4.902 290 HB3 GLU 47 2HB GLU 47 3.768 -3.863 5.528 291 HG2 GLU 47 1HG GLU 47 4.346 -5.896 6.349 292 HG3 GLU 47 2HG GLU 47 3.673 -6.390 4.796 293 H ALA 48 H ALA 48 2.857 -5.957 1.908 294 HA ALA 48 HA ALA 48 0.109 -5.432 2.820 295 HB1 ALA 48 1HB ALA 48 1.165 -5.591 0.250 296 HB2 ALA 48 2HB ALA 48 0.282 -7.102 0.473 297 HB3 ALA 48 3HB ALA 48 -0.541 -5.558 0.699 298 H VAL 49 H VAL 49 -0.734 -6.863 4.172 299 HA VAL 49 HA VAL 49 -0.108 -9.706 3.826 300 HB VAL 49 HB VAL 49 0.186 -8.150 6.386 301 HG11 VAL 49 1HG1 VAL 49 -0.236 -11.107 6.022 302 HG12 VAL 49 2HG1 VAL 49 0.492 -10.406 7.469 303 HG13 VAL 49 3HG1 VAL 49 -1.164 -9.992 7.023 304 HG21 VAL 49 1HG2 VAL 49 2.022 -8.939 4.509 305 HG22 VAL 49 2HG2 VAL 49 2.380 -8.552 6.192 306 HG23 VAL 49 3HG2 VAL 49 2.120 -10.228 5.708 307 H SER 50 H SER 50 -1.847 -10.983 3.976 308 HA SER 50 HA SER 50 -4.423 -9.776 4.439 309 HB2 SER 50 1HB SER 50 -3.770 -11.618 2.700 310 HB3 SER 50 2HB SER 50 -4.021 -12.725 4.050 311 HG SER 50 HG SER 50 -5.941 -10.806 3.237 312 H ASP 51 H ASP 51 -6.054 -10.989 5.801 313 HA ASP 51 HA ASP 51 -5.296 -10.934 8.482 314 HB2 ASP 51 1HB ASP 51 -7.650 -12.349 7.213 315 HB3 ASP 51 2HB ASP 51 -7.478 -12.015 8.933 316 H SER 52 H SER 52 -4.879 -13.383 6.138 317 HA SER 52 HA SER 52 -4.793 -15.613 7.933 318 HB2 SER 52 1HB SER 52 -4.201 -15.154 5.050 319 HB3 SER 52 2HB SER 52 -3.458 -16.557 5.819 320 HG SER 52 HG SER 52 -6.171 -15.983 5.388 321 H GLY 53 H GLY 53 -2.659 -13.079 7.191 322 HA2 GLY 53 1HA GLY 53 -0.669 -12.654 8.379 323 HA3 GLY 53 2HA GLY 53 -0.573 -14.362 8.783 324 H THR 54 H THR 54 -1.285 -14.181 5.570 325 HA THR 54 HA THR 54 1.490 -14.729 4.855 326 HB THR 54 HB THR 54 -0.962 -15.000 3.109 327 HG1 THR 54 1HG THR 54 -0.642 -16.341 5.211 328 HG21 THR 54 1HG2 THR 54 0.415 -16.431 1.746 329 HG22 THR 54 2HG2 THR 54 1.750 -16.308 2.892 330 HG23 THR 54 3HG2 THR 54 1.249 -14.893 1.967 331 H LYS 55 H LYS 55 2.684 -13.044 4.264 332 HA LYS 55 HA LYS 55 1.605 -10.593 3.315 333 HB2 LYS 55 1HB LYS 55 3.987 -9.992 2.892 334 HB3 LYS 55 2HB LYS 55 3.684 -10.574 4.524 335 HG2 LYS 55 1HG LYS 55 5.565 -11.750 4.071 336 HG3 LYS 55 2HG LYS 55 4.377 -12.885 3.426 337 HD2 LYS 55 1HD LYS 55 4.723 -11.514 1.219 338 HD3 LYS 55 2HD LYS 55 6.250 -11.064 1.981 339 HE2 LYS 55 1HE LYS 55 7.049 -13.232 1.961 340 HE3 LYS 55 2HE LYS 55 5.435 -13.936 1.883 341 HZ1 LYS 55 1HZ LYS 55 6.680 -14.128 -0.213 342 HZ2 LYS 55 2HZ LYS 55 6.727 -12.442 -0.334 343 HZ3 LYS 55 3HZ LYS 55 5.244 -13.253 -0.395 344 H ALA 56 H ALA 56 1.347 -9.817 1.288 345 HA ALA 56 HA ALA 56 1.408 -11.700 -0.889 346 HB1 ALA 56 1HB ALA 56 0.891 -9.048 -1.797 347 HB2 ALA 56 2HB ALA 56 -0.221 -10.410 -1.661 348 HB3 ALA 56 3HB ALA 56 0.010 -9.320 -0.293 349 H GLU 57 H GLU 57 2.191 -10.640 -3.096 350 HA GLU 57 HA GLU 57 5.038 -10.142 -2.711 351 HB2 GLU 57 1HB GLU 57 4.700 -11.836 -4.290 352 HB3 GLU 57 2HB GLU 57 3.352 -10.995 -5.043 353 HG2 GLU 57 1HG GLU 57 4.701 -9.666 -6.310 354 HG3 GLU 57 2HG GLU 57 6.028 -9.718 -5.151 355 H VAL 58 H VAL 58 5.688 -8.106 -2.554 356 HA VAL 58 HA VAL 58 4.309 -6.058 -4.165 357 HB VAL 58 HB VAL 58 5.798 -5.708 -1.559 358 HG11 VAL 58 1HG1 VAL 58 4.311 -3.668 -3.211 359 HG12 VAL 58 2HG1 VAL 58 5.100 -3.384 -1.659 360 HG13 VAL 58 3HG1 VAL 58 6.065 -3.793 -3.078 361 HG21 VAL 58 1HG2 VAL 58 3.250 -6.637 -1.928 362 HG22 VAL 58 2HG2 VAL 58 3.841 -5.831 -0.475 363 HG23 VAL 58 3HG2 VAL 58 2.992 -4.905 -1.714 364 H SER 59 H SER 59 5.503 -4.649 -5.389 365 HA SER 59 HA SER 59 8.418 -4.814 -5.296 366 HB2 SER 59 1HB SER 59 7.713 -6.502 -6.956 367 HB3 SER 59 2HB SER 59 6.833 -5.254 -7.839 368 HG SER 59 HG SER 59 9.619 -5.540 -7.487 369 H ILE 60 H ILE 60 8.920 -2.755 -4.911 370 HA ILE 60 HA ILE 60 7.373 -0.602 -6.107 371 HB ILE 60 HB ILE 60 9.735 -0.454 -4.229 372 HG12 ILE 60 1HG1 ILE 60 6.843 0.029 -3.536 373 HG13 ILE 60 2HG1 ILE 60 7.569 -1.570 -3.408 374 HG21 ILE 60 1HG2 ILE 60 8.648 1.527 -5.832 375 HG22 ILE 60 2HG2 ILE 60 7.916 1.799 -4.251 376 HG23 ILE 60 3HG2 ILE 60 9.672 1.764 -4.415 377 HD11 ILE 60 1HD1 ILE 60 9.175 -0.742 -1.803 378 HD12 ILE 60 2HD1 ILE 60 8.533 0.893 -1.974 379 HD13 ILE 60 3HD1 ILE 60 7.533 -0.378 -1.272 380 H GLN 61 H GLN 61 7.996 0.601 -7.794 381 HA GLN 61 HA GLN 61 10.641 0.052 -8.953 382 HB2 GLN 61 1HB GLN 61 8.332 -0.296 -10.193 383 HB3 GLN 61 2HB GLN 61 8.484 1.431 -10.487 384 HG2 GLN 61 1HG GLN 61 9.437 0.500 -12.369 385 HG3 GLN 61 2HG GLN 61 10.836 0.854 -11.357 386 HE21 GLN 61 1HE2 GLN 61 11.506 -0.825 -13.119 387 HE22 GLN 61 2HE2 GLN 61 11.500 -2.468 -12.583 388 H ASN 62 H ASN 62 11.743 1.557 -7.624 389 HA ASN 62 HA ASN 62 11.087 4.210 -7.196 390 HB2 ASN 62 1HB ASN 62 12.901 3.293 -5.965 391 HB3 ASN 62 2HB ASN 62 13.766 2.844 -7.432 392 HD21 ASN 62 1HD2 ASN 62 13.650 5.004 -4.973 393 HD22 ASN 62 2HD2 ASN 62 14.492 6.325 -5.703 394 H ASN 63 H ASN 63 10.387 5.479 -8.819 395 HA ASN 63 HA ASN 63 12.100 5.722 -11.204 396 HB2 ASN 63 1HB ASN 63 9.145 6.318 -10.926 397 HB3 ASN 63 2HB ASN 63 10.095 6.520 -12.395 398 HD21 ASN 63 1HD2 ASN 63 7.776 4.753 -11.514 399 HD22 ASN 63 2HD2 ASN 63 8.248 3.174 -12.030 400 H LYS 64 H LYS 64 13.438 7.383 -10.777 401 HA LYS 64 HA LYS 64 12.609 9.707 -9.315 402 HB2 LYS 64 1HB LYS 64 14.970 8.670 -9.463 403 HB3 LYS 64 2HB LYS 64 15.098 9.525 -10.994 404 HG2 LYS 64 1HG LYS 64 14.597 11.640 -9.777 405 HG3 LYS 64 2HG LYS 64 14.678 10.728 -8.268 406 HD2 LYS 64 1HD LYS 64 16.817 11.640 -8.486 407 HD3 LYS 64 2HD LYS 64 17.003 9.987 -9.078 408 HE2 LYS 64 1HE LYS 64 16.678 10.867 -11.394 409 HE3 LYS 64 2HE LYS 64 16.709 12.497 -10.723 410 HZ1 LYS 64 1HZ LYS 64 18.891 10.571 -11.030 411 HZ2 LYS 64 2HZ LYS 64 18.946 11.620 -9.704 412 HZ3 LYS 64 3HZ LYS 64 18.886 12.245 -11.275 413 H ASP 65 H ASP 65 10.836 9.479 -11.338 414 HA ASP 65 HA ASP 65 11.636 11.587 -13.236 415 HB2 ASP 65 1HB ASP 65 9.935 9.150 -13.558 416 HB3 ASP 65 2HB ASP 65 9.569 10.573 -14.529 417 H GLY 66 H GLY 66 9.177 10.443 -11.016 418 HA2 GLY 66 1HA GLY 66 8.233 13.046 -10.462 419 HA3 GLY 66 2HA GLY 66 7.132 12.261 -11.585 420 H THR 67 H THR 67 7.319 9.629 -10.619 421 HA THR 67 HA THR 67 6.608 9.715 -7.801 422 HB THR 67 HB THR 67 4.423 8.689 -8.096 423 HG1 THR 67 1HG THR 67 5.199 7.932 -10.371 424 HG21 THR 67 1HG2 THR 67 4.620 11.161 -9.820 425 HG22 THR 67 2HG2 THR 67 4.609 11.169 -8.056 426 HG23 THR 67 3HG2 THR 67 3.201 10.589 -8.945 427 H TYR 68 H TYR 68 5.680 7.335 -7.273 428 HA TYR 68 HA TYR 68 7.629 5.469 -8.455 429 HB2 TYR 68 1HB TYR 68 6.459 5.536 -5.668 430 HB3 TYR 68 2HB TYR 68 7.473 4.237 -6.284 431 HD1 TYR 68 2HD TYR 68 7.592 7.978 -6.164 432 HD2 TYR 68 1HD TYR 68 9.665 4.306 -5.596 433 HE1 TYR 68 2HE TYR 68 9.597 9.223 -5.472 434 HE2 TYR 68 1HE TYR 68 11.675 5.541 -4.902 435 HH TYR 68 HH TYR 68 11.863 8.281 -3.805 436 H ALA 69 H ALA 69 6.986 3.363 -8.930 437 HA ALA 69 HA ALA 69 4.076 3.017 -9.186 438 HB1 ALA 69 1HB ALA 69 5.168 1.070 -10.756 439 HB2 ALA 69 2HB ALA 69 4.660 2.663 -11.319 440 HB3 ALA 69 3HB ALA 69 6.350 2.370 -10.909 441 H VAL 70 H VAL 70 3.431 2.016 -7.348 442 HA VAL 70 HA VAL 70 4.897 -0.383 -6.485 443 HB VAL 70 HB VAL 70 2.982 1.424 -5.020 444 HG11 VAL 70 1HG1 VAL 70 2.378 -0.855 -4.458 445 HG12 VAL 70 2HG1 VAL 70 4.067 -1.245 -4.124 446 HG13 VAL 70 3HG1 VAL 70 3.205 -0.098 -3.097 447 HG21 VAL 70 1HG2 VAL 70 5.885 0.948 -5.031 448 HG22 VAL 70 2HG2 VAL 70 4.973 2.397 -4.607 449 HG23 VAL 70 3HG2 VAL 70 5.150 1.092 -3.434 450 H THR 71 H THR 71 3.864 -2.341 -6.224 451 HA THR 71 HA THR 71 1.030 -2.540 -6.899 452 HB THR 71 HB THR 71 2.852 -4.474 -8.263 453 HG1 THR 71 1HG THR 71 2.108 -2.105 -9.598 454 HG21 THR 71 1HG2 THR 71 0.121 -3.313 -8.766 455 HG22 THR 71 2HG2 THR 71 0.559 -4.993 -8.454 456 HG23 THR 71 3HG2 THR 71 0.989 -4.239 -9.990 457 H TYR 72 H TYR 72 0.037 -4.473 -6.202 458 HA TYR 72 HA TYR 72 1.677 -6.288 -4.590 459 HB2 TYR 72 1HB TYR 72 0.354 -6.085 -2.655 460 HB3 TYR 72 2HB TYR 72 0.602 -4.425 -3.186 461 HD1 TYR 72 2HD TYR 72 -1.842 -7.217 -3.219 462 HD2 TYR 72 1HD TYR 72 -1.229 -3.032 -3.676 463 HE1 TYR 72 2HE TYR 72 -4.276 -6.870 -3.247 464 HE2 TYR 72 1HE TYR 72 -3.662 -2.672 -3.704 465 HH TYR 72 HH TYR 72 -5.691 -3.756 -2.999 466 H VAL 73 H VAL 73 1.236 -8.328 -5.076 467 HA VAL 73 HA VAL 73 -1.344 -8.942 -6.354 468 HB VAL 73 HB VAL 73 1.301 -10.388 -6.537 469 HG11 VAL 73 1HG1 VAL 73 -0.159 -12.151 -6.698 470 HG12 VAL 73 2HG1 VAL 73 -1.453 -11.160 -7.375 471 HG13 VAL 73 3HG1 VAL 73 -0.085 -11.633 -8.382 472 HG21 VAL 73 1HG2 VAL 73 0.747 -8.180 -7.837 473 HG22 VAL 73 2HG2 VAL 73 1.541 -9.526 -8.654 474 HG23 VAL 73 3HG2 VAL 73 -0.190 -9.267 -8.862 475 HA PRO 74 HA PRO 74 -1.995 -11.006 -2.380 476 HB2 PRO 74 1HB PRO 74 -4.678 -11.256 -2.712 477 HB3 PRO 74 2HB PRO 74 -3.913 -9.762 -2.157 478 HG2 PRO 74 1HG PRO 74 -4.866 -10.498 -4.898 479 HG3 PRO 74 2HG PRO 74 -5.051 -8.967 -4.023 480 HD2 PRO 74 1HD PRO 74 -3.168 -9.334 -5.934 481 HD3 PRO 74 2HD PRO 74 -2.914 -8.271 -4.535 482 H LEU 75 H LEU 75 -1.791 -13.128 -2.050 483 HA LEU 75 HA LEU 75 -2.160 -14.973 -4.241 484 HB2 LEU 75 1HB LEU 75 -1.145 -15.257 -1.428 485 HB3 LEU 75 2HB LEU 75 -1.383 -16.648 -2.485 486 HG LEU 75 HG LEU 75 0.467 -14.337 -3.071 487 HD11 LEU 75 1HD1 LEU 75 1.410 -15.460 -1.232 488 HD12 LEU 75 2HD1 LEU 75 2.228 -16.110 -2.652 489 HD13 LEU 75 3HD1 LEU 75 0.957 -17.043 -1.862 490 HD21 LEU 75 1HD2 LEU 75 0.291 -15.144 -5.150 491 HD22 LEU 75 2HD2 LEU 75 -0.496 -16.627 -4.609 492 HD23 LEU 75 3HD2 LEU 75 1.262 -16.492 -4.557 493 H THR 76 H THR 76 -3.606 -14.389 -1.066 494 HA THR 76 HA THR 76 -5.800 -16.210 -1.817 495 HB THR 76 HB THR 76 -4.526 -17.047 0.118 496 HG1 THR 76 1HG THR 76 -6.363 -17.694 0.962 497 HG21 THR 76 1HG2 THR 76 -3.665 -15.507 1.501 498 HG22 THR 76 2HG2 THR 76 -5.270 -15.436 2.229 499 HG23 THR 76 3HG2 THR 76 -4.816 -14.277 0.980 500 H ALA 77 H ALA 77 -7.913 -15.561 -1.413 501 HA ALA 77 HA ALA 77 -8.384 -12.751 -1.526 502 HB1 ALA 77 1HB ALA 77 -10.337 -13.380 -2.377 503 HB2 ALA 77 2HB ALA 77 -9.812 -15.053 -2.185 504 HB3 ALA 77 3HB ALA 77 -10.753 -14.273 -0.914 505 H GLY 78 H GLY 78 -9.870 -11.597 -0.059 506 HA2 GLY 78 1HA GLY 78 -10.946 -11.802 2.220 507 HA3 GLY 78 2HA GLY 78 -9.381 -12.413 2.737 508 H MET 79 H MET 79 -10.317 -10.347 4.121 509 HA MET 79 HA MET 79 -9.696 -7.787 3.093 510 HB2 MET 79 1HB MET 79 -10.009 -8.835 5.903 511 HB3 MET 79 2HB MET 79 -9.664 -7.145 5.559 512 HG2 MET 79 1HG MET 79 -12.056 -8.651 4.528 513 HG3 MET 79 2HG MET 79 -12.054 -7.608 5.949 514 HE1 MET 79 1HE MET 79 -11.765 -4.072 4.598 515 HE2 MET 79 2HE MET 79 -11.947 -5.147 5.984 516 HE3 MET 79 3HE MET 79 -10.389 -5.017 5.166 517 H TYR 80 H TYR 80 -7.786 -6.883 2.728 518 HA TYR 80 HA TYR 80 -5.398 -8.112 3.906 519 HB2 TYR 80 1HB TYR 80 -5.955 -6.631 1.387 520 HB3 TYR 80 2HB TYR 80 -4.356 -6.439 2.098 521 HD1 TYR 80 1HD TYR 80 -2.815 -8.323 2.228 522 HD2 TYR 80 2HD TYR 80 -6.662 -8.756 0.461 523 HE1 TYR 80 1HE TYR 80 -2.105 -10.450 1.217 524 HE2 TYR 80 2HE TYR 80 -5.962 -10.884 -0.554 525 HH TYR 80 HH TYR 80 -4.333 -12.602 -0.290 526 H THR 81 H THR 81 -3.671 -6.739 4.670 527 HA THR 81 HA THR 81 -4.637 -4.148 5.695 528 HB THR 81 HB THR 81 -2.755 -6.067 7.081 529 HG1 THR 81 1HG THR 81 -5.504 -5.540 7.287 530 HG21 THR 81 1HG2 THR 81 -2.035 -4.197 8.097 531 HG22 THR 81 2HG2 THR 81 -3.588 -4.225 8.932 532 HG23 THR 81 3HG2 THR 81 -3.382 -3.239 7.485 533 H LEU 82 H LEU 82 -3.705 -2.883 4.110 534 HA LEU 82 HA LEU 82 -0.982 -3.195 3.293 535 HB2 LEU 82 1HB LEU 82 -2.587 -0.690 2.941 536 HB3 LEU 82 2HB LEU 82 -1.328 -1.351 1.900 537 HG LEU 82 HG LEU 82 -4.017 -2.660 2.250 538 HD11 LEU 82 1HD1 LEU 82 -3.990 -1.538 -0.258 539 HD12 LEU 82 2HD1 LEU 82 -3.290 -0.273 0.751 540 HD13 LEU 82 3HD1 LEU 82 -4.880 -0.930 1.138 541 HD21 LEU 82 1HD2 LEU 82 -1.595 -3.139 0.625 542 HD22 LEU 82 2HD2 LEU 82 -3.147 -3.356 -0.185 543 HD23 LEU 82 3HD2 LEU 82 -2.775 -4.279 1.272 544 H THR 83 H THR 83 0.814 -2.306 4.107 545 HA THR 83 HA THR 83 0.530 -0.197 6.143 546 HB THR 83 HB THR 83 2.559 -2.429 6.301 547 HG1 THR 83 1HG THR 83 -0.064 -2.219 7.275 548 HG21 THR 83 1HG2 THR 83 1.910 -0.030 7.927 549 HG22 THR 83 2HG2 THR 83 3.468 -0.792 7.607 550 HG23 THR 83 3HG2 THR 83 2.367 -1.499 8.789 551 H MET 84 H MET 84 1.245 1.527 4.999 552 HA MET 84 HA MET 84 3.780 1.276 3.539 553 HB2 MET 84 1HB MET 84 1.769 2.184 2.348 554 HB3 MET 84 2HB MET 84 1.797 3.554 3.451 555 HG2 MET 84 1HG MET 84 3.873 4.309 2.606 556 HG3 MET 84 2HG MET 84 4.129 2.813 1.712 557 HE1 MET 84 1HE MET 84 3.399 2.349 -0.577 558 HE2 MET 84 2HE MET 84 1.745 2.115 -0.011 559 HE3 MET 84 3HE MET 84 2.059 3.123 -1.424 560 H LYS 85 H LYS 85 5.583 2.167 4.306 561 HA LYS 85 HA LYS 85 5.362 4.276 6.346 562 HB2 LYS 85 1HB LYS 85 6.785 1.669 6.494 563 HB3 LYS 85 2HB LYS 85 7.598 3.067 7.185 564 HG2 LYS 85 1HG LYS 85 5.232 3.415 8.324 565 HG3 LYS 85 2HG LYS 85 5.137 1.671 8.066 566 HD2 LYS 85 1HD LYS 85 7.634 2.770 9.244 567 HD3 LYS 85 2HD LYS 85 6.196 2.711 10.265 568 HE2 LYS 85 1HE LYS 85 7.495 0.690 10.553 569 HE3 LYS 85 2HE LYS 85 5.967 0.312 9.760 570 HZ1 LYS 85 1HZ LYS 85 8.237 0.877 8.024 571 HZ2 LYS 85 2HZ LYS 85 6.994 -0.256 7.846 572 HZ3 LYS 85 3HZ LYS 85 8.291 -0.579 8.884 573 H TYR 86 H TYR 86 6.355 6.052 5.680 574 HA TYR 86 HA TYR 86 8.500 5.823 3.692 575 HB2 TYR 86 1HB TYR 86 6.396 7.284 3.346 576 HB3 TYR 86 2HB TYR 86 7.150 8.391 4.488 577 HD1 TYR 86 2HD TYR 86 7.382 6.905 1.138 578 HD2 TYR 86 1HD TYR 86 9.095 9.682 3.870 579 HE1 TYR 86 2HE TYR 86 8.697 7.887 -0.693 580 HE2 TYR 86 1HE TYR 86 10.414 10.672 2.046 581 HH TYR 86 HH TYR 86 10.410 10.844 -0.346 582 H GLY 87 H GLY 87 10.487 5.821 4.507 583 HA2 GLY 87 1HA GLY 87 12.345 6.515 5.671 584 HA3 GLY 87 2HA GLY 87 11.451 7.966 6.101 585 H GLY 88 H GLY 88 10.118 4.863 6.881 586 HA2 GLY 88 1HA GLY 88 10.250 3.645 8.894 587 HA3 GLY 88 2HA GLY 88 11.173 4.961 9.604 588 H GLU 89 H GLU 89 8.717 6.471 8.112 589 HA GLU 89 HA GLU 89 7.033 6.383 10.527 590 HB2 GLU 89 1HB GLU 89 7.339 8.654 8.555 591 HB3 GLU 89 2HB GLU 89 6.390 8.680 10.034 592 HG2 GLU 89 1HG GLU 89 8.728 8.062 11.108 593 HG3 GLU 89 2HG GLU 89 9.322 8.864 9.654 594 H LEU 90 H LEU 90 4.803 6.304 10.319 595 HA LEU 90 HA LEU 90 3.832 5.001 7.962 596 HB2 LEU 90 1HB LEU 90 2.745 5.733 10.619 597 HB3 LEU 90 2HB LEU 90 1.585 5.482 9.316 598 HG LEU 90 HG LEU 90 3.617 3.451 10.239 599 HD11 LEU 90 1HD1 LEU 90 0.648 3.583 10.746 600 HD12 LEU 90 2HD1 LEU 90 1.909 3.891 11.939 601 HD13 LEU 90 3HD1 LEU 90 1.736 2.283 11.235 602 HD21 LEU 90 1HD2 LEU 90 3.071 2.242 8.458 603 HD22 LEU 90 2HD2 LEU 90 2.228 3.657 7.826 604 HD23 LEU 90 3HD2 LEU 90 1.348 2.454 8.771 605 H VAL 91 H VAL 91 2.267 5.730 6.507 606 HA VAL 91 HA VAL 91 2.232 8.629 6.157 607 HB VAL 91 HB VAL 91 0.952 7.798 3.976 608 HG11 VAL 91 1HG1 VAL 91 3.913 7.354 4.090 609 HG12 VAL 91 2HG1 VAL 91 2.944 8.085 2.809 610 HG13 VAL 91 3HG1 VAL 91 3.229 8.963 4.312 611 HG21 VAL 91 1HG2 VAL 91 1.099 5.413 4.954 612 HG22 VAL 91 2HG2 VAL 91 1.474 5.652 3.247 613 HG23 VAL 91 3HG2 VAL 91 2.779 5.466 4.419 614 HA PRO 92 HA PRO 92 -1.955 9.254 7.310 615 HB2 PRO 92 1HB PRO 92 -2.816 11.028 5.443 616 HB3 PRO 92 2HB PRO 92 -1.686 11.461 6.731 617 HG2 PRO 92 1HG PRO 92 -1.127 10.778 3.870 618 HG3 PRO 92 2HG PRO 92 -0.432 12.068 4.869 619 HD2 PRO 92 1HD PRO 92 0.868 9.744 4.379 620 HD3 PRO 92 2HD PRO 92 1.055 10.640 5.900 621 H HIS 93 H HIS 93 -1.172 7.484 4.655 622 HA HIS 93 HA HIS 93 -3.997 6.967 3.992 623 HB2 HIS 93 1HB HIS 93 -1.557 7.073 2.259 624 HB3 HIS 93 2HB HIS 93 -2.893 6.020 1.805 625 HD1 HIS 93 1HD HIS 93 -4.753 7.084 0.541 626 HD2 HIS 93 2HD HIS 93 -2.382 9.883 2.492 627 HE1 HIS 93 1HE HIS 93 -5.594 9.328 -0.223 628 HE2 HIS 93 2HE HIS 93 -4.089 11.003 0.904 629 H PHE 94 H PHE 94 -1.985 5.790 5.982 630 HA PHE 94 HA PHE 94 -2.791 3.051 5.586 631 HB2 PHE 94 1HB PHE 94 0.146 3.777 5.587 632 HB3 PHE 94 2HB PHE 94 -0.489 2.139 5.708 633 HD1 PHE 94 2HD PHE 94 -0.438 5.122 3.501 634 HD2 PHE 94 1HD PHE 94 -0.948 0.906 3.792 635 HE1 PHE 94 2HE PHE 94 -0.472 4.960 1.046 636 HE2 PHE 94 1HE PHE 94 -0.982 0.737 1.338 637 HZ PHE 94 HZ PHE 94 -0.745 2.766 -0.039 638 HA PRO 95 HA PRO 95 -1.943 1.049 6.506 639 HB2 PRO 95 1HB PRO 95 -3.539 -0.459 8.103 640 HB3 PRO 95 2HB PRO 95 -1.792 -0.325 8.342 641 HG2 PRO 95 1HG PRO 95 -4.012 1.102 9.756 642 HG3 PRO 95 2HG PRO 95 -2.541 0.375 10.429 643 HD2 PRO 95 1HD PRO 95 -2.781 3.036 9.991 644 HD3 PRO 95 2HD PRO 95 -1.232 2.182 9.850 645 H ALA 96 H ALA 96 -3.555 0.218 5.161 646 HA ALA 96 HA ALA 96 -6.232 1.407 5.428 647 HB1 ALA 96 1HB ALA 96 -5.704 1.140 2.673 648 HB2 ALA 96 2HB ALA 96 -5.934 2.625 3.598 649 HB3 ALA 96 3HB ALA 96 -4.314 1.961 3.385 650 H ARG 97 H ARG 97 -7.733 -0.119 5.505 651 HA ARG 97 HA ARG 97 -7.120 -2.833 4.744 652 HB2 ARG 97 1HB ARG 97 -9.673 -1.613 5.810 653 HB3 ARG 97 2HB ARG 97 -9.379 -3.334 5.606 654 HG2 ARG 97 1HG ARG 97 -7.597 -1.645 7.321 655 HG3 ARG 97 2HG ARG 97 -9.104 -2.324 7.939 656 HD2 ARG 97 1HD ARG 97 -8.305 -4.573 7.250 657 HD3 ARG 97 2HD ARG 97 -6.767 -3.844 6.791 658 HE ARG 97 HE ARG 97 -6.211 -3.661 9.020 659 HH11 ARG 97 1HH1 ARG 97 -9.557 -4.566 8.696 660 HH12 ARG 97 2HH1 ARG 97 -9.754 -4.940 10.376 661 HH21 ARG 97 1HH2 ARG 97 -6.458 -4.149 11.234 662 HH22 ARG 97 2HH2 ARG 97 -7.991 -4.701 11.819 663 H VAL 98 H VAL 98 -7.892 -3.960 3.025 664 HA VAL 98 HA VAL 98 -9.844 -2.690 1.252 665 HB VAL 98 HB VAL 98 -7.181 -3.741 0.284 666 HG11 VAL 98 1HG1 VAL 98 -8.921 -2.245 -1.547 667 HG12 VAL 98 2HG1 VAL 98 -7.950 -3.692 -1.827 668 HG13 VAL 98 3HG1 VAL 98 -9.535 -3.826 -1.065 669 HG21 VAL 98 1HG2 VAL 98 -8.123 -0.936 -0.102 670 HG22 VAL 98 2HG2 VAL 98 -7.406 -1.402 1.440 671 HG23 VAL 98 3HG2 VAL 98 -6.479 -1.573 -0.050 672 H LYS 99 H LYS 99 -11.400 -4.116 0.905 673 HA LYS 99 HA LYS 99 -11.087 -6.897 1.459 674 HB2 LYS 99 1HB LYS 99 -13.208 -5.438 1.661 675 HB3 LYS 99 2HB LYS 99 -13.391 -5.709 -0.067 676 HG2 LYS 99 1HG LYS 99 -13.862 -7.940 0.192 677 HG3 LYS 99 2HG LYS 99 -13.010 -8.051 1.734 678 HD2 LYS 99 1HD LYS 99 -15.253 -8.176 2.346 679 HD3 LYS 99 2HD LYS 99 -14.852 -6.479 2.616 680 HE2 LYS 99 1HE LYS 99 -16.837 -6.284 1.477 681 HE3 LYS 99 2HE LYS 99 -15.681 -6.204 0.149 682 HZ1 LYS 99 1HZ LYS 99 -16.041 -8.571 -0.240 683 HZ2 LYS 99 2HZ LYS 99 -17.485 -7.701 -0.377 684 HZ3 LYS 99 3HZ LYS 99 -17.180 -8.620 1.010 685 H VAL 100 H VAL 100 -10.141 -8.315 0.162 686 HA VAL 100 HA VAL 100 -10.046 -7.791 -2.719 687 HB VAL 100 HB VAL 100 -8.480 -9.707 -0.991 688 HG11 VAL 100 1HG1 VAL 100 -8.257 -9.275 -3.968 689 HG12 VAL 100 2HG1 VAL 100 -7.249 -10.336 -2.982 690 HG13 VAL 100 3HG1 VAL 100 -8.963 -10.694 -3.195 691 HG21 VAL 100 1HG2 VAL 100 -7.770 -7.404 -0.780 692 HG22 VAL 100 2HG2 VAL 100 -6.566 -8.313 -1.694 693 HG23 VAL 100 3HG2 VAL 100 -7.685 -7.239 -2.534 694 H GLU 101 H GLU 101 -11.020 -9.065 -4.197 695 HA GLU 101 HA GLU 101 -12.753 -11.194 -3.177 696 HB2 GLU 101 1HB GLU 101 -12.781 -9.463 -5.620 697 HB3 GLU 101 2HB GLU 101 -13.621 -11.008 -5.648 698 HG2 GLU 101 1HG GLU 101 -14.738 -10.182 -3.476 699 HG3 GLU 101 2HG GLU 101 -14.181 -8.589 -3.986 700 HA PRO 102 HA PRO 102 -10.480 -14.485 -4.978 701 HB2 PRO 102 1HB PRO 102 -12.455 -16.123 -5.864 702 HB3 PRO 102 2HB PRO 102 -12.082 -15.908 -4.150 703 HG2 PRO 102 1HG PRO 102 -14.242 -14.643 -5.791 704 HG3 PRO 102 2HG PRO 102 -14.331 -15.315 -4.153 705 HD2 PRO 102 1HD PRO 102 -14.131 -12.657 -4.627 706 HD3 PRO 102 2HD PRO 102 -13.423 -13.426 -3.193 707 H ALA 103 H ALA 103 -9.897 -15.538 -6.955 708 HA ALA 103 HA ALA 103 -10.491 -13.907 -9.301 709 HB1 ALA 103 1HB ALA 103 -8.156 -15.010 -8.353 710 HB2 ALA 103 2HB ALA 103 -8.596 -16.082 -9.683 711 HB3 ALA 103 3HB ALA 103 -8.409 -14.352 -9.970 712 H VAL 104 H VAL 104 -12.665 -15.393 -8.592 713 HA VAL 104 HA VAL 104 -12.767 -17.925 -9.905 714 HB VAL 104 HB VAL 104 -15.013 -16.118 -9.002 715 HG11 VAL 104 1HG1 VAL 104 -16.287 -18.336 -9.036 716 HG12 VAL 104 2HG1 VAL 104 -15.978 -17.549 -10.585 717 HG13 VAL 104 3HG1 VAL 104 -14.990 -18.920 -10.078 718 HG21 VAL 104 1HG2 VAL 104 -14.246 -16.708 -6.978 719 HG22 VAL 104 2HG2 VAL 104 -14.977 -18.274 -7.329 720 HG23 VAL 104 3HG2 VAL 104 -13.258 -18.017 -7.627 721 H ASP 105 H ASP 105 -12.651 -14.820 -11.093 722 HA ASP 105 HA ASP 105 -14.496 -15.013 -13.256 723 HB2 ASP 105 1HB ASP 105 -13.615 -12.862 -12.329 724 HB3 ASP 105 2HB ASP 105 -12.054 -13.241 -13.051 725 H THR 106 H THR 106 -14.307 -16.100 -15.094 726 HA THR 106 HA THR 106 -11.644 -16.664 -16.175 727 HB THR 106 HB THR 106 -13.764 -18.805 -15.940 728 HG1 THR 106 1HG THR 106 -11.993 -19.663 -14.467 729 HG21 THR 106 1HG2 THR 106 -12.464 -19.390 -17.770 730 HG22 THR 106 2HG2 THR 106 -11.631 -20.208 -16.448 731 HG23 THR 106 3HG2 THR 106 -11.000 -18.689 -17.083 732 H SER 107 H SER 107 -11.560 -16.127 -18.249 733 HA SER 107 HA SER 107 -13.518 -14.997 -19.745 734 HB2 SER 107 1HB SER 107 -12.214 -15.611 -21.755 735 HB3 SER 107 2HB SER 107 -11.176 -15.034 -20.451 736 HG SER 107 HG SER 107 -10.977 -17.301 -21.740 737 H SER 108 H SER 108 -14.586 -15.833 -21.760 738 HA SER 108 HA SER 108 -16.089 -18.218 -21.075 739 HB2 SER 108 1HB SER 108 -16.395 -16.081 -23.176 740 HB3 SER 108 2HB SER 108 -17.360 -17.557 -23.220 741 HG SER 108 HG SER 108 -18.483 -15.988 -22.082 742 H GLY 109 H GLY 109 -16.070 -20.133 -22.156 743 HA2 GLY 109 1HA GLY 109 -15.625 -21.479 -24.093 744 HA3 GLY 109 2HA GLY 109 -14.354 -20.350 -24.538 745 HA PRO 110 HA PRO 110 -12.902 -24.015 -21.747 746 HB2 PRO 110 1HB PRO 110 -12.499 -25.988 -23.568 747 HB3 PRO 110 2HB PRO 110 -14.012 -25.801 -22.674 748 HG2 PRO 110 1HG PRO 110 -13.341 -24.940 -25.461 749 HG3 PRO 110 2HG PRO 110 -14.817 -25.713 -24.854 750 HD2 PRO 110 1HD PRO 110 -14.654 -23.052 -25.325 751 HD3 PRO 110 2HD PRO 110 -15.668 -23.733 -24.037 752 H SER 111 H SER 111 -12.032 -22.724 -24.856 753 HA SER 111 HA SER 111 -9.587 -23.573 -25.484 754 HB2 SER 111 1HB SER 111 -10.254 -20.634 -25.184 755 HB3 SER 111 2HB SER 111 -8.997 -21.316 -26.216 756 HG SER 111 HG SER 111 -10.506 -22.113 -27.559 757 H SER 112 H SER 112 -7.690 -23.882 -24.530 758 HA SER 112 HA SER 112 -6.513 -22.099 -22.680 759 HB2 SER 112 1HB SER 112 -6.662 -23.312 -20.630 760 HB3 SER 112 2HB SER 112 -8.308 -23.185 -21.250 761 HG SER 112 HG SER 112 -7.851 -25.303 -20.559 762 H GLY 113 H GLY 113 -4.403 -22.316 -23.000 763 HA2 GLY 113 1HA GLY 113 -2.343 -23.279 -23.356 764 HA3 GLY 113 2HA GLY 113 -3.061 -24.825 -22.930 Start of MODEL 4 1 H1 GLY 1 H GLY 1 22.835 13.128 -9.527 2 HA2 GLY 1 1HA GLY 1 20.203 12.870 -8.240 3 HA3 GLY 1 2HA GLY 1 21.552 11.925 -7.627 4 H SER 2 H SER 2 19.902 14.077 -6.392 5 HA SER 2 HA SER 2 21.902 16.167 -5.958 6 HB2 SER 2 1HB SER 2 19.009 15.971 -5.090 7 HB3 SER 2 2HB SER 2 20.071 17.335 -4.741 8 HG SER 2 HG SER 2 20.094 17.878 -6.847 9 H SER 3 H SER 3 23.403 15.138 -4.659 10 HA SER 3 HA SER 3 23.193 13.411 -2.627 11 HB2 SER 3 1HB SER 3 25.084 14.622 -1.494 12 HB3 SER 3 2HB SER 3 25.345 14.318 -3.211 13 HG SER 3 HG SER 3 25.126 16.688 -1.869 14 H GLY 4 H GLY 4 22.923 16.931 -2.079 15 HA2 GLY 4 1HA GLY 4 21.712 16.436 0.522 16 HA3 GLY 4 2HA GLY 4 22.172 18.000 -0.134 17 H SER 5 H SER 5 19.803 17.820 1.140 18 HA SER 5 HA SER 5 17.820 17.770 -1.040 19 HB2 SER 5 1HB SER 5 17.626 17.013 1.854 20 HB3 SER 5 2HB SER 5 16.188 17.587 1.009 21 HG SER 5 HG SER 5 16.576 15.920 -0.547 22 H SER 6 H SER 6 16.083 19.348 -0.894 23 HA SER 6 HA SER 6 17.093 21.911 0.088 24 HB2 SER 6 1HB SER 6 15.086 21.107 -1.991 25 HB3 SER 6 2HB SER 6 15.022 22.727 -1.298 26 HG SER 6 HG SER 6 17.050 23.136 -2.074 27 H GLY 7 H GLY 7 14.170 19.898 0.210 28 HA2 GLY 7 1HA GLY 7 13.177 21.581 2.416 29 HA3 GLY 7 2HA GLY 7 12.183 20.528 1.420 30 HA PRO 8 HA PRO 8 13.756 18.469 5.447 31 HB2 PRO 8 1HB PRO 8 11.580 18.847 7.026 32 HB3 PRO 8 2HB PRO 8 12.942 19.973 6.981 33 HG2 PRO 8 1HG PRO 8 10.292 20.149 5.599 34 HG3 PRO 8 2HG PRO 8 11.203 21.418 6.439 35 HD2 PRO 8 1HD PRO 8 11.192 21.174 3.742 36 HD3 PRO 8 2HD PRO 8 12.597 21.783 4.640 37 H PHE 9 H PHE 9 12.859 16.503 6.365 38 HA PHE 9 HA PHE 9 11.303 15.046 4.428 39 HB2 PHE 9 1HB PHE 9 12.920 13.653 5.276 40 HB3 PHE 9 2HB PHE 9 12.851 14.372 6.881 41 HD1 PHE 9 2HD PHE 9 11.171 13.656 8.493 42 HD2 PHE 9 1HD PHE 9 11.475 11.844 4.654 43 HE1 PHE 9 2HE PHE 9 9.787 11.778 9.274 44 HE2 PHE 9 1HE PHE 9 10.090 9.963 5.428 45 HZ PHE 9 HZ PHE 9 9.245 9.928 7.741 46 H ASP 10 H ASP 10 9.292 14.099 4.733 47 HA ASP 10 HA ASP 10 7.820 14.298 7.158 48 HB2 ASP 10 1HB ASP 10 7.460 16.410 5.083 49 HB3 ASP 10 2HB ASP 10 6.023 15.802 5.901 50 HA PRO 11 HA PRO 11 6.084 10.934 4.791 51 HB2 PRO 11 1HB PRO 11 4.571 9.945 6.817 52 HB3 PRO 11 2HB PRO 11 6.314 9.672 6.697 53 HG2 PRO 11 1HG PRO 11 4.818 11.667 8.355 54 HG3 PRO 11 2HG PRO 11 6.200 10.650 8.804 55 HD2 PRO 11 1HD PRO 11 6.466 13.262 8.142 56 HD3 PRO 11 2HD PRO 11 7.722 12.056 7.796 57 H SER 12 H SER 12 4.341 13.404 6.542 58 HA SER 12 HA SER 12 1.737 12.705 5.640 59 HB2 SER 12 1HB SER 12 2.929 15.196 6.840 60 HB3 SER 12 2HB SER 12 1.257 15.161 6.282 61 HG SER 12 HG SER 12 2.414 13.974 8.487 62 H LYS 13 H LYS 13 4.373 14.473 4.260 63 HA LYS 13 HA LYS 13 2.867 15.916 2.317 64 HB2 LYS 13 1HB LYS 13 5.795 15.173 2.421 65 HB3 LYS 13 2HB LYS 13 5.090 16.251 1.223 66 HG2 LYS 13 1HG LYS 13 4.920 16.759 4.180 67 HG3 LYS 13 2HG LYS 13 6.236 17.358 3.168 68 HD2 LYS 13 1HD LYS 13 4.830 18.775 1.967 69 HD3 LYS 13 2HD LYS 13 3.378 17.891 2.440 70 HE2 LYS 13 1HE LYS 13 3.203 19.736 3.788 71 HE3 LYS 13 2HE LYS 13 4.092 18.647 4.851 72 HZ1 LYS 13 1HZ LYS 13 5.724 20.295 3.113 73 HZ2 LYS 13 2HZ LYS 13 5.930 19.908 4.747 74 HZ3 LYS 13 3HZ LYS 13 4.860 21.139 4.298 75 H VAL 14 H VAL 14 3.946 12.674 2.573 76 HA VAL 14 HA VAL 14 4.112 12.046 -0.193 77 HB VAL 14 HB VAL 14 3.518 10.178 2.106 78 HG11 VAL 14 1HG1 VAL 14 5.036 9.082 -0.087 79 HG12 VAL 14 2HG1 VAL 14 3.531 8.509 0.636 80 HG13 VAL 14 3HG1 VAL 14 3.490 9.721 -0.646 81 HG21 VAL 14 1HG2 VAL 14 5.600 11.529 2.377 82 HG22 VAL 14 2HG2 VAL 14 5.875 9.790 2.270 83 HG23 VAL 14 3HG2 VAL 14 6.194 10.820 0.875 84 H VAL 15 H VAL 15 2.605 11.276 -1.600 85 HA VAL 15 HA VAL 15 -0.170 11.093 -0.623 86 HB VAL 15 HB VAL 15 0.735 12.221 -3.276 87 HG11 VAL 15 1HG1 VAL 15 -1.296 11.414 -3.874 88 HG12 VAL 15 2HG1 VAL 15 -1.896 11.385 -2.214 89 HG13 VAL 15 3HG1 VAL 15 -1.845 12.904 -3.109 90 HG21 VAL 15 1HG2 VAL 15 -0.836 13.884 -1.438 91 HG22 VAL 15 2HG2 VAL 15 0.789 13.493 -0.874 92 HG23 VAL 15 3HG2 VAL 15 0.565 14.296 -2.428 93 H ALA 16 H ALA 16 -1.007 9.142 -0.900 94 HA ALA 16 HA ALA 16 -0.036 7.496 -3.146 95 HB1 ALA 16 1HB ALA 16 0.254 6.922 -0.474 96 HB2 ALA 16 2HB ALA 16 -1.178 5.997 -0.926 97 HB3 ALA 16 3HB ALA 16 0.337 5.757 -1.796 98 H SER 17 H SER 17 -1.522 6.563 -4.449 99 HA SER 17 HA SER 17 -4.292 6.335 -3.650 100 HB2 SER 17 1HB SER 17 -3.410 8.270 -5.793 101 HB3 SER 17 2HB SER 17 -5.053 7.636 -5.705 102 HG SER 17 HG SER 17 -3.930 8.746 -3.397 103 H GLY 18 H GLY 18 -5.598 5.635 -5.758 104 HA2 GLY 18 1HA GLY 18 -5.083 4.487 -7.964 105 HA3 GLY 18 2HA GLY 18 -3.960 3.525 -7.015 106 HA PRO 19 HA PRO 19 -8.309 1.638 -7.154 107 HB2 PRO 19 1HB PRO 19 -7.732 -0.482 -8.748 108 HB3 PRO 19 2HB PRO 19 -8.292 1.071 -9.380 109 HG2 PRO 19 1HG PRO 19 -5.507 -0.015 -9.216 110 HG3 PRO 19 2HG PRO 19 -6.292 0.855 -10.547 111 HD2 PRO 19 1HD PRO 19 -4.590 2.062 -8.821 112 HD3 PRO 19 2HD PRO 19 -5.958 2.914 -9.565 113 H GLY 20 H GLY 20 -5.049 0.365 -6.834 114 HA2 GLY 20 1HA GLY 20 -5.636 -2.091 -5.618 115 HA3 GLY 20 2HA GLY 20 -4.145 -1.186 -5.405 116 H LEU 21 H LEU 21 -5.709 1.139 -4.339 117 HA LEU 21 HA LEU 21 -5.763 0.219 -1.585 118 HB2 LEU 21 1HB LEU 21 -5.682 2.856 -2.956 119 HB3 LEU 21 2HB LEU 21 -6.341 2.789 -1.323 120 HG LEU 21 HG LEU 21 -3.662 1.586 -1.853 121 HD11 LEU 21 1HD1 LEU 21 -3.106 3.583 -2.809 122 HD12 LEU 21 2HD1 LEU 21 -2.861 3.982 -1.108 123 HD13 LEU 21 3HD1 LEU 21 -4.342 4.480 -1.926 124 HD21 LEU 21 1HD2 LEU 21 -5.204 1.776 0.363 125 HD22 LEU 21 2HD2 LEU 21 -4.222 3.232 0.518 126 HD23 LEU 21 3HD2 LEU 21 -3.445 1.654 0.385 127 H GLU 22 H GLU 22 -7.959 0.525 -4.081 128 HA GLU 22 HA GLU 22 -10.217 1.112 -2.308 129 HB2 GLU 22 1HB GLU 22 -10.280 0.735 -5.302 130 HB3 GLU 22 2HB GLU 22 -11.529 1.443 -4.287 131 HG2 GLU 22 1HG GLU 22 -9.661 3.165 -3.692 132 HG3 GLU 22 2HG GLU 22 -8.944 2.606 -5.202 133 H HIS 23 H HIS 23 -8.911 -1.395 -4.407 134 HA HIS 23 HA HIS 23 -10.202 -3.461 -2.942 135 HB2 HIS 23 1HB HIS 23 -11.743 -4.288 -4.561 136 HB3 HIS 23 2HB HIS 23 -12.085 -2.570 -4.379 137 HD1 HIS 23 1HD HIS 23 -11.863 -4.981 -6.917 138 HD2 HIS 23 2HD HIS 23 -10.446 -1.094 -6.534 139 HE1 HIS 23 1HE HIS 23 -11.435 -4.187 -9.264 140 HE2 HIS 23 2HE HIS 23 -10.498 -1.864 -9.003 141 H GLY 24 H GLY 24 -9.824 -5.642 -4.007 142 HA2 GLY 24 1HA GLY 24 -7.605 -5.646 -5.910 143 HA3 GLY 24 2HA GLY 24 -7.300 -6.341 -4.325 144 H LYS 25 H LYS 25 -6.908 -7.980 -6.367 145 HA LYS 25 HA LYS 25 -9.083 -9.901 -6.072 146 HB2 LYS 25 1HB LYS 25 -9.257 -8.460 -8.253 147 HB3 LYS 25 2HB LYS 25 -7.950 -9.494 -8.816 148 HG2 LYS 25 1HG LYS 25 -9.418 -11.461 -8.234 149 HG3 LYS 25 2HG LYS 25 -10.729 -10.301 -8.009 150 HD2 LYS 25 1HD LYS 25 -10.817 -9.764 -10.251 151 HD3 LYS 25 2HD LYS 25 -9.144 -10.248 -10.539 152 HE2 LYS 25 1HE LYS 25 -9.696 -12.536 -10.527 153 HE3 LYS 25 2HE LYS 25 -11.275 -12.234 -9.803 154 HZ1 LYS 25 1HZ LYS 25 -11.420 -12.744 -12.176 155 HZ2 LYS 25 2HZ LYS 25 -10.465 -11.395 -12.535 156 HZ3 LYS 25 3HZ LYS 25 -11.993 -11.188 -11.839 157 H VAL 26 H VAL 26 -8.381 -11.959 -5.894 158 HA VAL 26 HA VAL 26 -5.736 -12.555 -5.343 159 HB VAL 26 HB VAL 26 -7.984 -14.357 -6.230 160 HG11 VAL 26 1HG1 VAL 26 -6.351 -16.092 -5.067 161 HG12 VAL 26 2HG1 VAL 26 -6.264 -15.743 -6.795 162 HG13 VAL 26 3HG1 VAL 26 -5.132 -14.975 -5.680 163 HG21 VAL 26 1HG2 VAL 26 -6.731 -14.298 -3.518 164 HG22 VAL 26 2HG2 VAL 26 -7.908 -13.064 -3.969 165 HG23 VAL 26 3HG2 VAL 26 -8.365 -14.767 -3.989 166 H GLY 27 H GLY 27 -4.047 -12.385 -6.664 167 HA2 GLY 27 1HA GLY 27 -2.753 -13.340 -8.437 168 HA3 GLY 27 2HA GLY 27 -4.243 -13.616 -9.327 169 H GLU 28 H GLU 28 -5.110 -10.815 -8.538 170 HA GLU 28 HA GLU 28 -4.085 -9.526 -10.883 171 HB2 GLU 28 1HB GLU 28 -6.059 -8.808 -8.752 172 HB3 GLU 28 2HB GLU 28 -5.443 -7.548 -9.812 173 HG2 GLU 28 1HG GLU 28 -6.752 -10.076 -10.780 174 HG3 GLU 28 2HG GLU 28 -7.594 -8.546 -10.543 175 H ALA 29 H ALA 29 -3.651 -6.978 -10.426 176 HA ALA 29 HA ALA 29 -1.534 -6.846 -8.381 177 HB1 ALA 29 1HB ALA 29 -1.024 -6.935 -11.046 178 HB2 ALA 29 2HB ALA 29 -1.111 -5.195 -10.768 179 HB3 ALA 29 3HB ALA 29 0.028 -6.179 -9.849 180 H GLY 30 H GLY 30 -1.874 -5.287 -6.945 181 HA2 GLY 30 1HA GLY 30 -3.943 -3.334 -7.341 182 HA3 GLY 30 2HA GLY 30 -2.913 -3.492 -5.926 183 H LEU 31 H LEU 31 -3.432 -1.866 -8.913 184 HA LEU 31 HA LEU 31 -0.901 -0.676 -9.253 185 HB2 LEU 31 1HB LEU 31 -3.637 0.299 -10.059 186 HB3 LEU 31 2HB LEU 31 -2.118 1.001 -10.612 187 HG LEU 31 HG LEU 31 -3.037 -1.818 -11.173 188 HD11 LEU 31 1HD1 LEU 31 -2.755 -0.179 -13.491 189 HD12 LEU 31 2HD1 LEU 31 -3.842 0.613 -12.351 190 HD13 LEU 31 3HD1 LEU 31 -4.182 -1.029 -12.897 191 HD21 LEU 31 1HD2 LEU 31 -0.595 -0.244 -11.923 192 HD22 LEU 31 2HD2 LEU 31 -1.161 -1.595 -12.906 193 HD23 LEU 31 3HD2 LEU 31 -0.701 -1.860 -11.223 194 H LEU 32 H LEU 32 0.103 0.619 -7.875 195 HA LEU 32 HA LEU 32 -1.478 2.644 -6.440 196 HB2 LEU 32 1HB LEU 32 0.862 1.109 -5.321 197 HB3 LEU 32 2HB LEU 32 -0.051 2.367 -4.491 198 HG LEU 32 HG LEU 32 -1.078 -0.356 -5.290 199 HD11 LEU 32 1HD1 LEU 32 -1.092 0.471 -2.482 200 HD12 LEU 32 2HD1 LEU 32 0.516 0.267 -3.175 201 HD13 LEU 32 3HD1 LEU 32 -0.636 -1.067 -3.214 202 HD21 LEU 32 1HD2 LEU 32 -2.939 0.585 -3.628 203 HD22 LEU 32 2HD2 LEU 32 -3.021 0.812 -5.376 204 HD23 LEU 32 3HD2 LEU 32 -2.418 2.110 -4.344 205 H SER 33 H SER 33 -0.687 4.671 -6.478 206 HA SER 33 HA SER 33 2.009 5.062 -7.604 207 HB2 SER 33 1HB SER 33 -0.137 5.663 -9.025 208 HB3 SER 33 2HB SER 33 -0.127 7.114 -8.023 209 HG SER 33 HG SER 33 1.187 7.714 -9.597 210 H VAL 34 H VAL 34 3.348 6.087 -6.286 211 HA VAL 34 HA VAL 34 2.219 7.701 -4.101 212 HB VAL 34 HB VAL 34 4.939 6.403 -4.313 213 HG11 VAL 34 1HG1 VAL 34 3.711 7.849 -1.969 214 HG12 VAL 34 2HG1 VAL 34 5.325 7.141 -2.056 215 HG13 VAL 34 3HG1 VAL 34 4.921 8.541 -3.050 216 HG21 VAL 34 1HG2 VAL 34 4.071 4.597 -3.347 217 HG22 VAL 34 2HG2 VAL 34 3.288 5.567 -2.100 218 HG23 VAL 34 3HG2 VAL 34 2.473 5.285 -3.639 219 H ASP 35 H ASP 35 2.169 9.788 -4.646 220 HA ASP 35 HA ASP 35 4.377 10.915 -6.213 221 HB2 ASP 35 1HB ASP 35 1.913 11.246 -6.850 222 HB3 ASP 35 2HB ASP 35 1.827 12.340 -5.472 223 H CYS 36 H CYS 36 5.993 11.739 -5.071 224 HA CYS 36 HA CYS 36 5.469 12.841 -2.412 225 HB2 CYS 36 1HB CYS 36 7.690 12.436 -1.890 226 HB3 CYS 36 2HB CYS 36 7.353 11.129 -3.019 227 HG CYS 36 HG CYS 36 8.686 14.025 -4.194 228 H SER 37 H SER 37 6.007 14.928 -1.825 229 HA SER 37 HA SER 37 6.741 16.741 -4.028 230 HB2 SER 37 1HB SER 37 4.291 16.807 -3.231 231 HB3 SER 37 2HB SER 37 4.925 17.557 -1.766 232 HG SER 37 HG SER 37 5.632 19.274 -2.947 233 H GLU 38 H GLU 38 6.281 17.023 -0.504 234 HA GLU 38 HA GLU 38 9.019 18.101 -0.334 235 HB2 GLU 38 1HB GLU 38 6.459 19.073 0.844 236 HB3 GLU 38 2HB GLU 38 7.929 19.268 1.788 237 HG2 GLU 38 1HG GLU 38 8.883 20.312 -0.383 238 HG3 GLU 38 2HG GLU 38 7.188 20.495 -0.829 239 H ALA 39 H ALA 39 7.906 15.349 0.056 240 HA ALA 39 HA ALA 39 7.931 14.758 2.836 241 HB1 ALA 39 1HB ALA 39 8.634 12.421 1.494 242 HB2 ALA 39 2HB ALA 39 7.014 12.924 1.979 243 HB3 ALA 39 3HB ALA 39 7.610 13.306 0.364 244 H GLY 40 H GLY 40 10.379 15.774 0.866 245 HA2 GLY 40 1HA GLY 40 12.664 15.817 1.079 246 HA3 GLY 40 2HA GLY 40 12.406 15.357 2.755 247 HA PRO 41 HA PRO 41 14.754 11.915 0.814 248 HB2 PRO 41 1HB PRO 41 16.284 11.439 3.006 249 HB3 PRO 41 2HB PRO 41 16.691 12.664 1.798 250 HG2 PRO 41 1HG PRO 41 15.364 12.997 4.461 251 HG3 PRO 41 2HG PRO 41 16.630 13.985 3.711 252 HD2 PRO 41 1HD PRO 41 14.023 14.716 3.715 253 HD3 PRO 41 2HD PRO 41 15.129 15.131 2.390 254 H GLY 42 H GLY 42 15.403 9.759 2.213 255 HA2 GLY 42 1HA GLY 42 14.518 8.310 3.993 256 HA3 GLY 42 2HA GLY 42 12.930 8.965 3.623 257 H ALA 43 H ALA 43 12.989 6.348 3.671 258 HA ALA 43 HA ALA 43 13.078 5.548 0.835 259 HB1 ALA 43 1HB ALA 43 14.849 4.512 2.330 260 HB2 ALA 43 2HB ALA 43 13.530 3.643 3.115 261 HB3 ALA 43 3HB ALA 43 13.850 3.397 1.398 262 H LEU 44 H LEU 44 11.277 4.646 0.014 263 HA LEU 44 HA LEU 44 8.943 4.478 1.750 264 HB2 LEU 44 1HB LEU 44 8.450 5.665 -0.184 265 HB3 LEU 44 2HB LEU 44 9.374 4.569 -1.208 266 HG LEU 44 HG LEU 44 7.604 2.850 -0.854 267 HD11 LEU 44 1HD1 LEU 44 6.561 3.440 1.148 268 HD12 LEU 44 2HD1 LEU 44 5.373 3.846 -0.091 269 HD13 LEU 44 3HD1 LEU 44 6.344 5.118 0.650 270 HD21 LEU 44 1HD2 LEU 44 5.969 3.913 -2.348 271 HD22 LEU 44 2HD2 LEU 44 7.629 4.203 -2.868 272 HD23 LEU 44 3HD2 LEU 44 6.726 5.478 -2.048 273 H GLY 45 H GLY 45 7.883 2.635 2.261 274 HA2 GLY 45 1HA GLY 45 8.543 0.153 0.871 275 HA3 GLY 45 2HA GLY 45 8.941 0.229 2.581 276 H LEU 46 H LEU 46 6.919 -1.305 0.855 277 HA LEU 46 HA LEU 46 4.575 -0.718 2.542 278 HB2 LEU 46 1HB LEU 46 4.126 -0.144 0.231 279 HB3 LEU 46 2HB LEU 46 4.648 -1.744 -0.292 280 HG LEU 46 HG LEU 46 2.691 -2.568 1.229 281 HD11 LEU 46 1HD1 LEU 46 1.726 -0.827 2.283 282 HD12 LEU 46 2HD1 LEU 46 0.851 -0.659 0.761 283 HD13 LEU 46 3HD1 LEU 46 2.267 0.343 1.079 284 HD21 LEU 46 1HD2 LEU 46 1.674 -1.246 -1.218 285 HD22 LEU 46 2HD2 LEU 46 1.510 -2.917 -0.677 286 HD23 LEU 46 3HD2 LEU 46 3.019 -2.370 -1.410 287 H GLU 47 H GLU 47 3.320 -2.508 3.237 288 HA GLU 47 HA GLU 47 4.519 -5.157 2.879 289 HB2 GLU 47 1HB GLU 47 5.358 -4.058 5.006 290 HB3 GLU 47 2HB GLU 47 3.703 -4.130 5.596 291 HG2 GLU 47 1HG GLU 47 3.704 -6.490 5.599 292 HG3 GLU 47 2HG GLU 47 5.202 -6.561 4.673 293 H ALA 48 H ALA 48 2.953 -6.358 2.043 294 HA ALA 48 HA ALA 48 0.168 -5.818 2.741 295 HB1 ALA 48 1HB ALA 48 1.080 -7.848 0.731 296 HB2 ALA 48 2HB ALA 48 -0.448 -6.969 0.808 297 HB3 ALA 48 3HB ALA 48 1.031 -6.127 0.344 298 H VAL 49 H VAL 49 -1.005 -7.085 4.039 299 HA VAL 49 HA VAL 49 -0.205 -9.847 4.515 300 HB VAL 49 HB VAL 49 -0.410 -7.791 6.715 301 HG11 VAL 49 1HG1 VAL 49 -0.867 -10.695 6.745 302 HG12 VAL 49 2HG1 VAL 49 0.237 -10.094 7.984 303 HG13 VAL 49 3HG1 VAL 49 -1.401 -9.448 7.872 304 HG21 VAL 49 1HG2 VAL 49 1.801 -9.631 5.813 305 HG22 VAL 49 2HG2 VAL 49 1.775 -7.870 5.719 306 HG23 VAL 49 3HG2 VAL 49 1.848 -8.669 7.290 307 H SER 50 H SER 50 -1.926 -11.142 4.646 308 HA SER 50 HA SER 50 -4.571 -9.957 4.609 309 HB2 SER 50 1HB SER 50 -3.759 -11.893 3.115 310 HB3 SER 50 2HB SER 50 -3.974 -12.910 4.540 311 HG SER 50 HG SER 50 -5.825 -12.753 3.081 312 H ASP 51 H ASP 51 -6.307 -10.748 5.974 313 HA ASP 51 HA ASP 51 -5.831 -10.520 8.674 314 HB2 ASP 51 1HB ASP 51 -8.072 -11.611 8.984 315 HB3 ASP 51 2HB ASP 51 -8.063 -10.283 7.827 316 H SER 52 H SER 52 -5.567 -13.339 6.651 317 HA SER 52 HA SER 52 -5.260 -15.106 8.952 318 HB2 SER 52 1HB SER 52 -5.245 -16.922 7.349 319 HB3 SER 52 2HB SER 52 -6.580 -15.837 6.960 320 HG SER 52 HG SER 52 -4.152 -16.236 5.609 321 H GLY 53 H GLY 53 -3.308 -12.974 8.322 322 HA2 GLY 53 1HA GLY 53 -1.031 -12.681 8.277 323 HA3 GLY 53 2HA GLY 53 -0.946 -14.304 8.946 324 H THR 54 H THR 54 -1.783 -12.870 5.788 325 HA THR 54 HA THR 54 0.018 -14.846 4.544 326 HB THR 54 HB THR 54 -2.303 -13.534 3.138 327 HG1 THR 54 1HG THR 54 -3.611 -14.960 4.010 328 HG21 THR 54 1HG2 THR 54 -1.473 -14.604 1.370 329 HG22 THR 54 2HG2 THR 54 -1.729 -16.138 2.201 330 HG23 THR 54 3HG2 THR 54 -0.188 -15.294 2.361 331 H LYS 55 H LYS 55 1.848 -13.888 3.950 332 HA LYS 55 HA LYS 55 1.968 -11.076 3.336 333 HB2 LYS 55 1HB LYS 55 4.063 -13.252 3.237 334 HB3 LYS 55 2HB LYS 55 4.389 -11.553 2.920 335 HG2 LYS 55 1HG LYS 55 4.946 -11.570 5.103 336 HG3 LYS 55 2HG LYS 55 3.211 -11.320 5.308 337 HD2 LYS 55 1HD LYS 55 3.495 -13.082 6.728 338 HD3 LYS 55 2HD LYS 55 3.203 -13.973 5.232 339 HE2 LYS 55 1HE LYS 55 5.979 -13.206 6.069 340 HE3 LYS 55 2HE LYS 55 5.204 -14.655 6.708 341 HZ1 LYS 55 1HZ LYS 55 6.209 -15.529 4.889 342 HZ2 LYS 55 2HZ LYS 55 6.146 -14.092 4.000 343 HZ3 LYS 55 3HZ LYS 55 4.761 -15.051 4.156 344 H ALA 56 H ALA 56 1.524 -10.246 1.413 345 HA ALA 56 HA ALA 56 1.463 -11.961 -0.937 346 HB1 ALA 56 1HB ALA 56 -0.207 -10.648 -1.575 347 HB2 ALA 56 2HB ALA 56 -0.025 -9.737 -0.076 348 HB3 ALA 56 3HB ALA 56 0.840 -9.230 -1.526 349 H GLU 57 H GLU 57 2.268 -10.921 -3.032 350 HA GLU 57 HA GLU 57 5.061 -10.246 -2.637 351 HB2 GLU 57 1HB GLU 57 4.735 -11.863 -4.316 352 HB3 GLU 57 2HB GLU 57 3.399 -10.975 -5.034 353 HG2 GLU 57 1HG GLU 57 4.766 -9.558 -6.179 354 HG3 GLU 57 2HG GLU 57 6.071 -9.687 -5.001 355 H VAL 58 H VAL 58 5.674 -8.208 -2.411 356 HA VAL 58 HA VAL 58 4.161 -6.112 -3.829 357 HB VAL 58 HB VAL 58 5.749 -5.871 -1.269 358 HG11 VAL 58 1HG1 VAL 58 4.657 -3.570 -1.248 359 HG12 VAL 58 2HG1 VAL 58 5.989 -3.813 -2.381 360 HG13 VAL 58 3HG1 VAL 58 4.322 -3.837 -2.958 361 HG21 VAL 58 1HG2 VAL 58 2.865 -5.237 -1.377 362 HG22 VAL 58 2HG2 VAL 58 3.299 -6.943 -1.487 363 HG23 VAL 58 3HG2 VAL 58 3.815 -5.990 -0.096 364 H SER 59 H SER 59 5.281 -4.498 -4.908 365 HA SER 59 HA SER 59 8.192 -4.614 -4.983 366 HB2 SER 59 1HB SER 59 7.316 -6.181 -6.756 367 HB3 SER 59 2HB SER 59 6.579 -4.782 -7.536 368 HG SER 59 HG SER 59 9.062 -5.647 -7.773 369 H ILE 60 H ILE 60 9.085 -2.650 -5.199 370 HA ILE 60 HA ILE 60 7.298 -0.418 -5.914 371 HB ILE 60 HB ILE 60 9.707 -0.378 -4.093 372 HG12 ILE 60 1HG1 ILE 60 6.857 0.206 -3.323 373 HG13 ILE 60 2HG1 ILE 60 7.487 -1.437 -3.300 374 HG21 ILE 60 1HG2 ILE 60 9.785 1.815 -4.410 375 HG22 ILE 60 2HG2 ILE 60 8.458 1.707 -5.565 376 HG23 ILE 60 3HG2 ILE 60 8.118 1.953 -3.853 377 HD11 ILE 60 1HD1 ILE 60 7.593 -0.444 -1.100 378 HD12 ILE 60 2HD1 ILE 60 9.219 -0.736 -1.720 379 HD13 ILE 60 3HD1 ILE 60 8.552 0.896 -1.728 380 H GLN 61 H GLN 61 7.795 0.718 -7.668 381 HA GLN 61 HA GLN 61 10.397 0.270 -8.934 382 HB2 GLN 61 1HB GLN 61 8.368 -0.155 -10.276 383 HB3 GLN 61 2HB GLN 61 7.889 1.524 -10.065 384 HG2 GLN 61 1HG GLN 61 8.907 1.107 -12.251 385 HG3 GLN 61 2HG GLN 61 9.820 2.275 -11.297 386 HE21 GLN 61 1HE2 GLN 61 9.689 -1.263 -11.603 387 HE22 GLN 61 2HE2 GLN 61 11.395 -1.482 -11.758 388 H ASN 62 H ASN 62 11.862 1.856 -9.239 389 HA ASN 62 HA ASN 62 11.243 4.473 -8.066 390 HB2 ASN 62 1HB ASN 62 13.935 3.258 -8.727 391 HB3 ASN 62 2HB ASN 62 13.663 4.776 -7.877 392 HD21 ASN 62 1HD2 ASN 62 14.875 3.957 -6.130 393 HD22 ASN 62 2HD2 ASN 62 14.183 2.833 -5.015 394 H ASN 63 H ASN 63 10.976 6.187 -9.329 395 HA ASN 63 HA ASN 63 11.978 6.052 -12.097 396 HB2 ASN 63 1HB ASN 63 9.457 7.213 -10.945 397 HB3 ASN 63 2HB ASN 63 10.101 7.814 -12.470 398 HD21 ASN 63 1HD2 ASN 63 8.077 5.607 -11.073 399 HD22 ASN 63 2HD2 ASN 63 7.926 4.496 -12.388 400 H LYS 64 H LYS 64 12.875 7.917 -13.017 401 HA LYS 64 HA LYS 64 14.142 9.679 -11.097 402 HB2 LYS 64 1HB LYS 64 14.422 9.366 -14.087 403 HB3 LYS 64 2HB LYS 64 15.302 10.572 -13.158 404 HG2 LYS 64 1HG LYS 64 16.861 8.922 -13.212 405 HG3 LYS 64 2HG LYS 64 16.004 8.461 -11.739 406 HD2 LYS 64 1HD LYS 64 14.878 6.714 -12.801 407 HD3 LYS 64 2HD LYS 64 15.182 7.372 -14.410 408 HE2 LYS 64 1HE LYS 64 16.612 5.499 -14.164 409 HE3 LYS 64 2HE LYS 64 17.628 6.931 -14.002 410 HZ1 LYS 64 1HZ LYS 64 16.950 4.909 -12.035 411 HZ2 LYS 64 2HZ LYS 64 16.964 6.500 -11.462 412 HZ3 LYS 64 3HZ LYS 64 18.348 5.849 -12.185 413 H ASP 65 H ASP 65 11.388 10.061 -11.181 414 HA ASP 65 HA ASP 65 11.226 12.754 -12.361 415 HB2 ASP 65 1HB ASP 65 9.839 11.165 -13.643 416 HB3 ASP 65 2HB ASP 65 8.972 10.745 -12.169 417 H GLY 66 H GLY 66 10.106 10.566 -9.817 418 HA2 GLY 66 1HA GLY 66 10.365 11.689 -7.548 419 HA3 GLY 66 2HA GLY 66 9.314 12.923 -8.229 420 H THR 67 H THR 67 8.860 9.554 -8.980 421 HA THR 67 HA THR 67 6.665 9.357 -7.049 422 HB THR 67 HB THR 67 5.171 8.408 -8.797 423 HG1 THR 67 1HG THR 67 7.308 9.236 -10.475 424 HG21 THR 67 1HG2 THR 67 6.103 11.235 -8.820 425 HG22 THR 67 2HG2 THR 67 4.534 10.567 -8.371 426 HG23 THR 67 3HG2 THR 67 4.973 10.721 -10.072 427 H TYR 68 H TYR 68 5.744 7.088 -7.027 428 HA TYR 68 HA TYR 68 7.735 5.066 -7.766 429 HB2 TYR 68 1HB TYR 68 6.494 5.347 -5.022 430 HB3 TYR 68 2HB TYR 68 7.489 3.994 -5.547 431 HD1 TYR 68 2HD TYR 68 7.540 7.658 -4.955 432 HD2 TYR 68 1HD TYR 68 9.834 4.104 -5.410 433 HE1 TYR 68 2HE TYR 68 9.556 8.875 -4.244 434 HE2 TYR 68 1HE TYR 68 11.856 5.310 -4.699 435 HH TYR 68 HH TYR 68 12.437 8.148 -4.803 436 H ALA 69 H ALA 69 6.882 3.227 -8.543 437 HA ALA 69 HA ALA 69 3.960 3.025 -8.617 438 HB1 ALA 69 1HB ALA 69 5.495 2.950 -10.700 439 HB2 ALA 69 2HB ALA 69 5.798 1.283 -10.208 440 HB3 ALA 69 3HB ALA 69 4.156 1.808 -10.577 441 H VAL 70 H VAL 70 3.412 2.080 -6.689 442 HA VAL 70 HA VAL 70 4.756 -0.382 -5.877 443 HB VAL 70 HB VAL 70 2.709 1.361 -4.516 444 HG11 VAL 70 1HG1 VAL 70 3.835 -1.265 -3.548 445 HG12 VAL 70 2HG1 VAL 70 2.824 -0.167 -2.607 446 HG13 VAL 70 3HG1 VAL 70 2.167 -0.967 -4.035 447 HG21 VAL 70 1HG2 VAL 70 4.949 0.870 -2.900 448 HG22 VAL 70 2HG2 VAL 70 5.575 1.200 -4.516 449 HG23 VAL 70 3HG2 VAL 70 4.523 2.371 -3.722 450 H THR 71 H THR 71 3.791 -2.369 -5.800 451 HA THR 71 HA THR 71 0.988 -2.623 -6.578 452 HB THR 71 HB THR 71 2.938 -4.409 -7.975 453 HG1 THR 71 1HG THR 71 2.355 -1.712 -8.613 454 HG21 THR 71 1HG2 THR 71 1.141 -4.344 -9.705 455 HG22 THR 71 2HG2 THR 71 0.196 -3.324 -8.620 456 HG23 THR 71 3HG2 THR 71 0.605 -4.973 -8.147 457 H TYR 72 H TYR 72 0.026 -4.588 -5.971 458 HA TYR 72 HA TYR 72 1.675 -6.454 -4.426 459 HB2 TYR 72 1HB TYR 72 0.268 -6.397 -2.520 460 HB3 TYR 72 2HB TYR 72 0.588 -4.713 -2.921 461 HD1 TYR 72 2HD TYR 72 -1.946 -7.393 -3.043 462 HD2 TYR 72 1HD TYR 72 -1.175 -3.241 -3.560 463 HE1 TYR 72 2HE TYR 72 -4.366 -6.960 -3.124 464 HE2 TYR 72 1HE TYR 72 -3.593 -2.796 -3.641 465 HH TYR 72 HH TYR 72 -5.681 -3.833 -2.899 466 H VAL 73 H VAL 73 1.233 -8.502 -4.907 467 HA VAL 73 HA VAL 73 -1.263 -9.082 -6.355 468 HB VAL 73 HB VAL 73 1.342 -10.613 -6.350 469 HG11 VAL 73 1HG1 VAL 73 0.129 -11.739 -8.353 470 HG12 VAL 73 2HG1 VAL 73 -0.244 -12.260 -6.709 471 HG13 VAL 73 3HG1 VAL 73 -1.337 -11.167 -7.558 472 HG21 VAL 73 1HG2 VAL 73 0.100 -9.195 -8.685 473 HG22 VAL 73 2HG2 VAL 73 1.186 -8.363 -7.572 474 HG23 VAL 73 3HG2 VAL 73 1.760 -9.758 -8.487 475 HA PRO 74 HA PRO 74 -2.155 -11.156 -2.419 476 HB2 PRO 74 1HB PRO 74 -4.833 -11.269 -2.851 477 HB3 PRO 74 2HB PRO 74 -4.020 -9.826 -2.236 478 HG2 PRO 74 1HG PRO 74 -4.906 -10.458 -5.024 479 HG3 PRO 74 2HG PRO 74 -5.050 -8.938 -4.122 480 HD2 PRO 74 1HD PRO 74 -3.119 -9.355 -5.973 481 HD3 PRO 74 2HD PRO 74 -2.866 -8.335 -4.542 482 H LEU 75 H LEU 75 -1.772 -13.271 -2.308 483 HA LEU 75 HA LEU 75 -2.279 -15.041 -4.498 484 HB2 LEU 75 1HB LEU 75 -1.332 -15.504 -1.679 485 HB3 LEU 75 2HB LEU 75 -1.507 -16.795 -2.866 486 HG LEU 75 HG LEU 75 0.333 -14.423 -3.168 487 HD11 LEU 75 1HD1 LEU 75 0.925 -15.987 -1.303 488 HD12 LEU 75 2HD1 LEU 75 2.133 -15.860 -2.580 489 HD13 LEU 75 3HD1 LEU 75 1.071 -17.265 -2.509 490 HD21 LEU 75 1HD2 LEU 75 -0.073 -16.934 -4.781 491 HD22 LEU 75 2HD2 LEU 75 1.322 -15.869 -4.956 492 HD23 LEU 75 3HD2 LEU 75 -0.299 -15.267 -5.307 493 H THR 76 H THR 76 -3.663 -14.622 -1.258 494 HA THR 76 HA THR 76 -5.907 -16.348 -2.076 495 HB THR 76 HB THR 76 -4.837 -17.342 -0.188 496 HG1 THR 76 1HG THR 76 -6.861 -16.052 1.217 497 HG21 THR 76 1HG2 THR 76 -5.049 -14.649 1.164 498 HG22 THR 76 2HG2 THR 76 -3.565 -15.408 0.588 499 HG23 THR 76 3HG2 THR 76 -4.468 -16.133 1.918 500 H ALA 77 H ALA 77 -8.023 -15.696 -1.602 501 HA ALA 77 HA ALA 77 -8.437 -12.856 -1.668 502 HB1 ALA 77 1HB ALA 77 -10.107 -15.271 -1.980 503 HB2 ALA 77 2HB ALA 77 -10.927 -13.820 -1.400 504 HB3 ALA 77 3HB ALA 77 -10.059 -13.789 -2.935 505 H GLY 78 H GLY 78 -9.533 -11.583 -0.146 506 HA2 GLY 78 1HA GLY 78 -10.834 -11.973 2.093 507 HA3 GLY 78 2HA GLY 78 -9.260 -12.565 2.602 508 H MET 79 H MET 79 -10.221 -10.578 4.058 509 HA MET 79 HA MET 79 -9.673 -7.967 3.120 510 HB2 MET 79 1HB MET 79 -9.843 -9.070 5.928 511 HB3 MET 79 2HB MET 79 -9.715 -7.357 5.549 512 HG2 MET 79 1HG MET 79 -11.932 -9.109 4.530 513 HG3 MET 79 2HG MET 79 -12.024 -8.201 6.037 514 HE1 MET 79 1HE MET 79 -11.750 -5.767 6.265 515 HE2 MET 79 2HE MET 79 -10.529 -5.275 5.091 516 HE3 MET 79 3HE MET 79 -12.143 -4.565 5.035 517 H TYR 80 H TYR 80 -7.805 -6.939 2.852 518 HA TYR 80 HA TYR 80 -5.380 -8.136 4.013 519 HB2 TYR 80 1HB TYR 80 -5.950 -6.767 1.434 520 HB3 TYR 80 2HB TYR 80 -4.360 -6.517 2.147 521 HD1 TYR 80 2HD TYR 80 -6.662 -9.023 0.742 522 HD2 TYR 80 1HD TYR 80 -2.736 -8.281 2.204 523 HE1 TYR 80 2HE TYR 80 -5.916 -11.176 -0.185 524 HE2 TYR 80 1HE TYR 80 -1.978 -10.431 1.280 525 HH TYR 80 HH TYR 80 -3.305 -12.037 -0.965 526 H THR 81 H THR 81 -3.689 -6.688 4.724 527 HA THR 81 HA THR 81 -4.736 -4.099 5.670 528 HB THR 81 HB THR 81 -2.754 -5.904 7.071 529 HG1 THR 81 1HG THR 81 -5.231 -6.259 7.041 530 HG21 THR 81 1HG2 THR 81 -3.335 -3.084 7.337 531 HG22 THR 81 2HG2 THR 81 -2.085 -4.051 8.120 532 HG23 THR 81 3HG2 THR 81 -3.697 -3.953 8.827 533 H LEU 82 H LEU 82 -3.894 -2.911 3.951 534 HA LEU 82 HA LEU 82 -1.205 -3.114 3.069 535 HB2 LEU 82 1HB LEU 82 -2.942 -0.677 2.808 536 HB3 LEU 82 2HB LEU 82 -1.642 -1.209 1.744 537 HG LEU 82 HG LEU 82 -4.287 -2.626 2.060 538 HD11 LEU 82 1HD1 LEU 82 -4.715 -0.511 1.045 539 HD12 LEU 82 2HD1 LEU 82 -4.719 -1.729 -0.230 540 HD13 LEU 82 3HD1 LEU 82 -3.320 -0.676 -0.021 541 HD21 LEU 82 1HD2 LEU 82 -1.837 -3.090 0.414 542 HD22 LEU 82 2HD2 LEU 82 -3.418 -3.564 -0.209 543 HD23 LEU 82 3HD2 LEU 82 -2.827 -4.245 1.307 544 H THR 83 H THR 83 0.586 -2.398 3.999 545 HA THR 83 HA THR 83 0.382 -0.188 5.939 546 HB THR 83 HB THR 83 2.342 -2.478 6.138 547 HG1 THR 83 1HG THR 83 -0.109 -2.802 6.532 548 HG21 THR 83 1HG2 THR 83 1.882 -1.230 8.617 549 HG22 THR 83 2HG2 THR 83 2.100 0.068 7.443 550 HG23 THR 83 3HG2 THR 83 3.344 -1.167 7.634 551 H MET 84 H MET 84 1.340 1.548 5.112 552 HA MET 84 HA MET 84 3.820 1.173 3.564 553 HB2 MET 84 1HB MET 84 1.830 2.058 2.290 554 HB3 MET 84 2HB MET 84 1.901 3.490 3.308 555 HG2 MET 84 1HG MET 84 4.138 3.978 2.495 556 HG3 MET 84 2HG MET 84 4.106 2.521 1.504 557 HE1 MET 84 1HE MET 84 3.418 2.517 -0.905 558 HE2 MET 84 2HE MET 84 1.848 2.173 -0.180 559 HE3 MET 84 3HE MET 84 1.977 3.353 -1.485 560 H LYS 85 H LYS 85 5.607 2.100 4.333 561 HA LYS 85 HA LYS 85 5.330 4.253 6.323 562 HB2 LYS 85 1HB LYS 85 6.861 1.700 6.487 563 HB3 LYS 85 2HB LYS 85 7.574 3.136 7.210 564 HG2 LYS 85 1HG LYS 85 5.165 3.339 8.288 565 HG3 LYS 85 2HG LYS 85 5.171 1.596 8.012 566 HD2 LYS 85 1HD LYS 85 7.571 1.797 9.111 567 HD3 LYS 85 2HD LYS 85 6.858 3.245 9.825 568 HE2 LYS 85 1HE LYS 85 4.982 1.860 10.653 569 HE3 LYS 85 2HE LYS 85 5.790 0.430 10.013 570 HZ1 LYS 85 1HZ LYS 85 7.526 1.968 11.668 571 HZ2 LYS 85 2HZ LYS 85 7.103 0.335 11.783 572 HZ3 LYS 85 3HZ LYS 85 6.128 1.513 12.505 573 H TYR 86 H TYR 86 6.304 6.046 5.673 574 HA TYR 86 HA TYR 86 8.495 5.835 3.723 575 HB2 TYR 86 1HB TYR 86 6.336 7.149 3.207 576 HB3 TYR 86 2HB TYR 86 6.961 8.354 4.327 577 HD1 TYR 86 1HD TYR 86 9.006 9.610 3.786 578 HD2 TYR 86 2HD TYR 86 7.300 6.859 1.025 579 HE1 TYR 86 1HE TYR 86 10.352 10.597 1.980 580 HE2 TYR 86 2HE TYR 86 8.643 7.838 -0.789 581 HH TYR 86 HH TYR 86 10.041 9.470 -1.369 582 H GLY 87 H GLY 87 10.482 6.215 4.429 583 HA2 GLY 87 1HA GLY 87 12.237 7.027 5.666 584 HA3 GLY 87 2HA GLY 87 11.219 8.415 6.018 585 H GLY 88 H GLY 88 10.311 5.146 6.878 586 HA2 GLY 88 1HA GLY 88 10.323 4.057 8.927 587 HA3 GLY 88 2HA GLY 88 11.275 5.378 9.589 588 H GLU 89 H GLU 89 8.650 6.670 8.019 589 HA GLU 89 HA GLU 89 7.048 6.688 10.492 590 HB2 GLU 89 1HB GLU 89 7.369 8.982 8.550 591 HB3 GLU 89 2HB GLU 89 6.444 9.000 10.045 592 HG2 GLU 89 1HG GLU 89 8.796 8.330 11.065 593 HG3 GLU 89 2HG GLU 89 9.370 9.158 9.618 594 H LEU 90 H LEU 90 4.985 6.097 10.286 595 HA LEU 90 HA LEU 90 3.960 5.014 7.926 596 HB2 LEU 90 1HB LEU 90 2.850 5.755 10.573 597 HB3 LEU 90 2HB LEU 90 1.702 5.480 9.264 598 HG LEU 90 HG LEU 90 3.752 3.478 10.208 599 HD11 LEU 90 1HD1 LEU 90 2.050 3.911 11.912 600 HD12 LEU 90 2HD1 LEU 90 1.879 2.300 11.215 601 HD13 LEU 90 3HD1 LEU 90 0.784 3.593 10.725 602 HD21 LEU 90 1HD2 LEU 90 3.180 2.207 8.472 603 HD22 LEU 90 2HD2 LEU 90 2.413 3.641 7.788 604 HD23 LEU 90 3HD2 LEU 90 1.460 2.496 8.733 605 H VAL 91 H VAL 91 2.376 5.723 6.474 606 HA VAL 91 HA VAL 91 2.333 8.620 6.101 607 HB VAL 91 HB VAL 91 1.065 7.780 3.923 608 HG11 VAL 91 1HG1 VAL 91 3.259 8.989 4.131 609 HG12 VAL 91 2HG1 VAL 91 4.042 7.408 4.183 610 HG13 VAL 91 3HG1 VAL 91 3.130 7.896 2.753 611 HG21 VAL 91 1HG2 VAL 91 1.112 5.411 4.834 612 HG22 VAL 91 2HG2 VAL 91 1.684 5.628 3.180 613 HG23 VAL 91 3HG2 VAL 91 2.843 5.422 4.494 614 HA PRO 92 HA PRO 92 -1.857 9.230 7.255 615 HB2 PRO 92 1HB PRO 92 -2.721 11.001 5.387 616 HB3 PRO 92 2HB PRO 92 -1.593 11.438 6.676 617 HG2 PRO 92 1HG PRO 92 -1.029 10.757 3.816 618 HG3 PRO 92 2HG PRO 92 -0.339 12.049 4.816 619 HD2 PRO 92 1HD PRO 92 0.969 9.729 4.328 620 HD3 PRO 92 2HD PRO 92 1.151 10.626 5.849 621 H HIS 93 H HIS 93 -1.063 7.473 4.590 622 HA HIS 93 HA HIS 93 -3.884 6.965 3.901 623 HB2 HIS 93 1HB HIS 93 -1.406 7.004 2.219 624 HB3 HIS 93 2HB HIS 93 -2.750 5.963 1.755 625 HD1 HIS 93 1HD HIS 93 -4.420 7.031 0.282 626 HD2 HIS 93 2HD HIS 93 -2.338 9.831 2.538 627 HE1 HIS 93 1HE HIS 93 -5.247 9.274 -0.500 628 HE2 HIS 93 2HE HIS 93 -3.911 10.953 0.819 629 H PHE 94 H PHE 94 -1.767 5.790 5.876 630 HA PHE 94 HA PHE 94 -2.670 3.058 5.553 631 HB2 PHE 94 1HB PHE 94 0.277 3.740 5.538 632 HB3 PHE 94 2HB PHE 94 -0.380 2.115 5.692 633 HD1 PHE 94 2HD PHE 94 -0.260 5.048 3.426 634 HD2 PHE 94 1HD PHE 94 -0.892 0.856 3.801 635 HE1 PHE 94 2HE PHE 94 -0.301 4.839 0.975 636 HE2 PHE 94 1HE PHE 94 -0.933 0.640 1.350 637 HZ PHE 94 HZ PHE 94 -0.638 2.633 -0.066 638 HA PRO 95 HA PRO 95 -1.850 1.059 6.507 639 HB2 PRO 95 1HB PRO 95 -3.468 -0.397 8.130 640 HB3 PRO 95 2HB PRO 95 -1.719 -0.286 8.365 641 HG2 PRO 95 1HG PRO 95 -3.916 1.198 9.756 642 HG3 PRO 95 2HG PRO 95 -2.456 0.461 10.441 643 HD2 PRO 95 1HD PRO 95 -2.657 3.118 9.958 644 HD3 PRO 95 2HD PRO 95 -1.120 2.238 9.830 645 H ALA 96 H ALA 96 -3.495 0.191 5.207 646 HA ALA 96 HA ALA 96 -6.162 1.393 5.465 647 HB1 ALA 96 1HB ALA 96 -4.270 2.111 3.499 648 HB2 ALA 96 2HB ALA 96 -5.523 1.165 2.694 649 HB3 ALA 96 3HB ALA 96 -5.960 2.602 3.618 650 H ARG 97 H ARG 97 -7.576 -0.210 5.622 651 HA ARG 97 HA ARG 97 -6.952 -2.871 4.739 652 HB2 ARG 97 1HB ARG 97 -9.423 -1.658 5.977 653 HB3 ARG 97 2HB ARG 97 -9.291 -3.359 5.553 654 HG2 ARG 97 1HG ARG 97 -7.193 -2.166 7.288 655 HG3 ARG 97 2HG ARG 97 -8.779 -2.508 7.983 656 HD2 ARG 97 1HD ARG 97 -7.454 -4.618 6.357 657 HD3 ARG 97 2HD ARG 97 -6.848 -4.309 7.984 658 HE ARG 97 HE ARG 97 -9.279 -5.627 7.281 659 HH11 ARG 97 1HH1 ARG 97 -7.773 -3.617 9.692 660 HH12 ARG 97 2HH1 ARG 97 -8.805 -4.157 10.974 661 HH21 ARG 97 1HH2 ARG 97 -10.644 -6.346 8.961 662 HH22 ARG 97 2HH2 ARG 97 -10.437 -5.710 10.557 663 H VAL 98 H VAL 98 -7.756 -3.978 3.015 664 HA VAL 98 HA VAL 98 -9.761 -2.705 1.311 665 HB VAL 98 HB VAL 98 -7.106 -3.662 0.232 666 HG11 VAL 98 1HG1 VAL 98 -8.585 -2.087 -1.611 667 HG12 VAL 98 2HG1 VAL 98 -8.105 -3.780 -1.746 668 HG13 VAL 98 3HG1 VAL 98 -9.645 -3.356 -0.998 669 HG21 VAL 98 1HG2 VAL 98 -8.208 -0.888 0.637 670 HG22 VAL 98 2HG2 VAL 98 -6.745 -1.580 1.339 671 HG23 VAL 98 3HG2 VAL 98 -6.822 -1.248 -0.392 672 H LYS 99 H LYS 99 -11.260 -4.155 0.834 673 HA LYS 99 HA LYS 99 -10.898 -6.936 1.359 674 HB2 LYS 99 1HB LYS 99 -13.060 -5.634 1.585 675 HB3 LYS 99 2HB LYS 99 -13.170 -5.667 -0.170 676 HG2 LYS 99 1HG LYS 99 -13.043 -8.185 -0.002 677 HG3 LYS 99 2HG LYS 99 -13.274 -7.985 1.736 678 HD2 LYS 99 1HD LYS 99 -15.448 -8.261 1.065 679 HD3 LYS 99 2HD LYS 99 -15.309 -6.505 0.957 680 HE2 LYS 99 1HE LYS 99 -16.393 -7.425 -1.025 681 HE3 LYS 99 2HE LYS 99 -14.845 -6.685 -1.434 682 HZ1 LYS 99 1HZ LYS 99 -13.842 -8.786 -1.664 683 HZ2 LYS 99 2HZ LYS 99 -15.318 -8.901 -2.482 684 HZ3 LYS 99 3HZ LYS 99 -15.146 -9.591 -0.947 685 H VAL 100 H VAL 100 -10.494 -8.596 -0.002 686 HA VAL 100 HA VAL 100 -10.117 -7.936 -2.852 687 HB VAL 100 HB VAL 100 -8.556 -9.869 -1.136 688 HG11 VAL 100 1HG1 VAL 100 -8.171 -9.336 -4.075 689 HG12 VAL 100 2HG1 VAL 100 -7.347 -10.534 -3.076 690 HG13 VAL 100 3HG1 VAL 100 -9.062 -10.719 -3.442 691 HG21 VAL 100 1HG2 VAL 100 -6.691 -8.451 -1.499 692 HG22 VAL 100 2HG2 VAL 100 -7.555 -7.507 -2.713 693 HG23 VAL 100 3HG2 VAL 100 -8.025 -7.404 -1.016 694 H GLU 101 H GLU 101 -11.118 -9.175 -4.330 695 HA GLU 101 HA GLU 101 -12.848 -11.312 -3.343 696 HB2 GLU 101 1HB GLU 101 -12.825 -9.560 -5.756 697 HB3 GLU 101 2HB GLU 101 -13.597 -11.134 -5.882 698 HG2 GLU 101 1HG GLU 101 -14.886 -10.459 -3.777 699 HG3 GLU 101 2HG GLU 101 -14.330 -8.823 -4.127 700 HA PRO 102 HA PRO 102 -10.488 -14.614 -5.011 701 HB2 PRO 102 1HB PRO 102 -12.443 -16.329 -5.791 702 HB3 PRO 102 2HB PRO 102 -12.044 -16.035 -4.094 703 HG2 PRO 102 1HG PRO 102 -14.260 -14.885 -5.747 704 HG3 PRO 102 2HG PRO 102 -14.305 -15.490 -4.080 705 HD2 PRO 102 1HD PRO 102 -14.172 -12.850 -4.669 706 HD3 PRO 102 2HD PRO 102 -13.422 -13.543 -3.217 707 H ALA 103 H ALA 103 -9.863 -15.677 -6.947 708 HA ALA 103 HA ALA 103 -10.697 -14.246 -9.366 709 HB1 ALA 103 1HB ALA 103 -8.186 -15.040 -8.377 710 HB2 ALA 103 2HB ALA 103 -8.489 -16.006 -9.821 711 HB3 ALA 103 3HB ALA 103 -8.547 -14.246 -9.910 712 H VAL 104 H VAL 104 -12.409 -16.259 -8.277 713 HA VAL 104 HA VAL 104 -12.054 -18.647 -9.872 714 HB VAL 104 HB VAL 104 -14.152 -19.408 -8.871 715 HG11 VAL 104 1HG1 VAL 104 -12.523 -18.175 -6.672 716 HG12 VAL 104 2HG1 VAL 104 -13.346 -19.736 -6.697 717 HG13 VAL 104 3HG1 VAL 104 -11.895 -19.487 -7.669 718 HG21 VAL 104 1HG2 VAL 104 -14.789 -17.613 -6.900 719 HG22 VAL 104 2HG2 VAL 104 -14.429 -16.563 -8.270 720 HG23 VAL 104 3HG2 VAL 104 -15.661 -17.816 -8.419 721 H ASP 105 H ASP 105 -12.090 -17.605 -11.963 722 HA ASP 105 HA ASP 105 -14.774 -16.755 -12.823 723 HB2 ASP 105 1HB ASP 105 -13.571 -15.755 -14.789 724 HB3 ASP 105 2HB ASP 105 -13.161 -15.028 -13.237 725 H THR 106 H THR 106 -15.777 -17.738 -14.530 726 HA THR 106 HA THR 106 -14.781 -20.369 -15.242 727 HB THR 106 HB THR 106 -16.967 -20.633 -16.400 728 HG1 THR 106 1HG THR 106 -17.576 -18.603 -16.967 729 HG21 THR 106 1HG2 THR 106 -17.283 -19.601 -13.581 730 HG22 THR 106 2HG2 THR 106 -16.643 -21.194 -13.986 731 HG23 THR 106 3HG2 THR 106 -18.303 -20.777 -14.409 732 H SER 107 H SER 107 -13.304 -20.432 -16.816 733 HA SER 107 HA SER 107 -14.001 -19.388 -19.426 734 HB2 SER 107 1HB SER 107 -11.500 -18.472 -17.987 735 HB3 SER 107 2HB SER 107 -11.827 -18.205 -19.699 736 HG SER 107 HG SER 107 -12.887 -16.956 -17.473 737 H SER 108 H SER 108 -13.015 -20.476 -21.100 738 HA SER 108 HA SER 108 -11.950 -23.049 -20.476 739 HB2 SER 108 1HB SER 108 -13.351 -22.194 -22.559 740 HB3 SER 108 2HB SER 108 -11.746 -21.917 -23.234 741 HG SER 108 HG SER 108 -11.478 -24.245 -22.325 742 H GLY 109 H GLY 109 -10.026 -22.700 -19.341 743 HA2 GLY 109 1HA GLY 109 -7.829 -21.534 -20.935 744 HA3 GLY 109 2HA GLY 109 -7.888 -21.512 -19.179 745 HA PRO 110 HA PRO 110 -5.381 -25.115 -19.154 746 HB2 PRO 110 1HB PRO 110 -6.029 -26.105 -16.710 747 HB3 PRO 110 2HB PRO 110 -5.016 -24.673 -16.929 748 HG2 PRO 110 1HG PRO 110 -7.933 -24.850 -16.280 749 HG3 PRO 110 2HG PRO 110 -6.697 -23.781 -15.592 750 HD2 PRO 110 1HD PRO 110 -8.442 -22.956 -17.490 751 HD3 PRO 110 2HD PRO 110 -6.789 -22.320 -17.372 752 H SER 111 H SER 111 -8.777 -25.219 -19.133 753 HA SER 111 HA SER 111 -9.296 -27.943 -18.749 754 HB2 SER 111 1HB SER 111 -11.107 -26.337 -18.772 755 HB3 SER 111 2HB SER 111 -10.752 -25.901 -20.444 756 HG SER 111 HG SER 111 -11.292 -28.581 -19.859 757 H SER 112 H SER 112 -7.986 -29.365 -19.784 758 HA SER 112 HA SER 112 -7.520 -29.085 -22.647 759 HB2 SER 112 1HB SER 112 -6.055 -31.122 -22.287 760 HB3 SER 112 2HB SER 112 -5.569 -29.677 -21.400 761 HG SER 112 HG SER 112 -6.159 -30.588 -19.550 762 H GLY 113 H GLY 113 -7.482 -31.393 -23.783 763 HA2 GLY 113 1HA GLY 113 -9.983 -32.797 -23.098 764 HA3 GLY 113 2HA GLY 113 -9.692 -32.249 -24.742 Start of MODEL 5 1 H1 GLY 1 H GLY 1 24.074 17.377 -11.472 2 HA2 GLY 1 1HA GLY 1 21.728 16.615 -10.507 3 HA3 GLY 1 2HA GLY 1 22.669 16.636 -9.022 4 H SER 2 H SER 2 21.977 18.355 -7.917 5 HA SER 2 HA SER 2 22.116 20.970 -9.250 6 HB2 SER 2 1HB SER 2 19.754 20.383 -9.145 7 HB3 SER 2 2HB SER 2 19.892 20.027 -7.424 8 HG SER 2 HG SER 2 19.873 22.493 -8.743 9 H SER 3 H SER 3 23.025 22.577 -8.073 10 HA SER 3 HA SER 3 24.332 21.821 -5.605 11 HB2 SER 3 1HB SER 3 25.516 23.118 -7.370 12 HB3 SER 3 2HB SER 3 24.415 24.465 -7.078 13 HG SER 3 HG SER 3 26.373 24.688 -5.915 14 H GLY 4 H GLY 4 21.693 21.751 -5.103 15 HA2 GLY 4 1HA GLY 4 20.991 24.310 -3.842 16 HA3 GLY 4 2HA GLY 4 19.881 22.985 -4.160 17 H SER 5 H SER 5 19.100 22.840 -2.077 18 HA SER 5 HA SER 5 21.025 21.812 -0.099 19 HB2 SER 5 1HB SER 5 18.707 23.695 0.390 20 HB3 SER 5 2HB SER 5 19.627 22.901 1.668 21 HG SER 5 HG SER 5 20.927 24.535 1.489 22 H SER 6 H SER 6 20.276 20.199 1.299 23 HA SER 6 HA SER 6 18.412 18.395 0.186 24 HB2 SER 6 1HB SER 6 20.311 17.712 1.634 25 HB3 SER 6 2HB SER 6 19.495 18.447 3.014 26 HG SER 6 HG SER 6 18.153 16.533 1.456 27 H GLY 7 H GLY 7 16.270 18.312 0.333 28 HA2 GLY 7 1HA GLY 7 14.843 20.260 1.889 29 HA3 GLY 7 2HA GLY 7 14.135 19.020 0.865 30 HA PRO 8 HA PRO 8 13.943 18.016 5.546 31 HB2 PRO 8 1HB PRO 8 11.436 18.896 6.101 32 HB3 PRO 8 2HB PRO 8 12.874 19.905 6.300 33 HG2 PRO 8 1HG PRO 8 10.899 19.844 4.051 34 HG3 PRO 8 2HG PRO 8 11.638 21.242 4.854 35 HD2 PRO 8 1HD PRO 8 12.507 20.307 2.466 36 HD3 PRO 8 2HD PRO 8 13.595 21.059 3.650 37 H PHE 9 H PHE 9 12.929 16.175 6.294 38 HA PHE 9 HA PHE 9 11.453 14.660 4.295 39 HB2 PHE 9 1HB PHE 9 13.026 13.242 5.183 40 HB3 PHE 9 2HB PHE 9 12.970 14.002 6.770 41 HD1 PHE 9 2HD PHE 9 11.061 13.494 8.300 42 HD2 PHE 9 1HD PHE 9 11.736 11.340 4.691 43 HE1 PHE 9 2HE PHE 9 9.621 11.676 9.120 44 HE2 PHE 9 1HE PHE 9 10.296 9.519 5.506 45 HZ PHE 9 HZ PHE 9 9.237 9.685 7.723 46 H ASP 10 H ASP 10 9.406 13.816 4.583 47 HA ASP 10 HA ASP 10 7.926 14.076 6.997 48 HB2 ASP 10 1HB ASP 10 7.650 16.189 4.908 49 HB3 ASP 10 2HB ASP 10 6.195 15.645 5.738 50 HA PRO 11 HA PRO 11 6.061 10.776 4.647 51 HB2 PRO 11 1HB PRO 11 4.453 9.899 6.650 52 HB3 PRO 11 2HB PRO 11 6.181 9.538 6.578 53 HG2 PRO 11 1HG PRO 11 4.748 11.632 8.166 54 HG3 PRO 11 2HG PRO 11 6.066 10.557 8.666 55 HD2 PRO 11 1HD PRO 11 6.478 13.140 7.969 56 HD3 PRO 11 2HD PRO 11 7.681 11.868 7.673 57 H SER 12 H SER 12 4.266 13.177 6.516 58 HA SER 12 HA SER 12 1.702 12.652 5.530 59 HB2 SER 12 1HB SER 12 2.900 15.283 6.430 60 HB3 SER 12 2HB SER 12 1.177 14.982 6.201 61 HG SER 12 HG SER 12 2.837 13.519 7.978 62 H LYS 13 H LYS 13 4.355 14.525 4.200 63 HA LYS 13 HA LYS 13 2.939 15.856 2.167 64 HB2 LYS 13 1HB LYS 13 5.826 14.956 2.150 65 HB3 LYS 13 2HB LYS 13 5.120 16.187 1.111 66 HG2 LYS 13 1HG LYS 13 5.246 16.375 4.112 67 HG3 LYS 13 2HG LYS 13 6.428 17.091 3.014 68 HD2 LYS 13 1HD LYS 13 5.053 18.889 3.284 69 HD3 LYS 13 2HD LYS 13 4.230 18.114 1.929 70 HE2 LYS 13 1HE LYS 13 2.445 18.422 3.308 71 HE3 LYS 13 2HE LYS 13 2.983 16.851 3.898 72 HZ1 LYS 13 1HZ LYS 13 3.611 17.709 5.855 73 HZ2 LYS 13 2HZ LYS 13 2.567 18.980 5.459 74 HZ3 LYS 13 3HZ LYS 13 4.228 19.130 5.174 75 H VAL 14 H VAL 14 4.157 12.606 2.425 76 HA VAL 14 HA VAL 14 4.120 11.937 -0.324 77 HB VAL 14 HB VAL 14 3.771 10.120 2.065 78 HG11 VAL 14 1HG1 VAL 14 3.455 8.479 0.606 79 HG12 VAL 14 2HG1 VAL 14 3.603 9.611 -0.740 80 HG13 VAL 14 3HG1 VAL 14 5.039 8.817 -0.092 81 HG21 VAL 14 1HG2 VAL 14 6.310 10.501 0.526 82 HG22 VAL 14 2HG2 VAL 14 5.884 11.598 1.840 83 HG23 VAL 14 3HG2 VAL 14 6.078 9.874 2.158 84 H VAL 15 H VAL 15 2.495 11.444 -1.654 85 HA VAL 15 HA VAL 15 -0.189 11.094 -0.485 86 HB VAL 15 HB VAL 15 0.532 12.194 -3.206 87 HG11 VAL 15 1HG1 VAL 15 -1.755 10.880 -2.550 88 HG12 VAL 15 2HG1 VAL 15 -2.188 12.547 -2.167 89 HG13 VAL 15 3HG1 VAL 15 -1.635 12.130 -3.789 90 HG21 VAL 15 1HG2 VAL 15 0.560 13.460 -0.719 91 HG22 VAL 15 2HG2 VAL 15 0.581 14.229 -2.306 92 HG23 VAL 15 3HG2 VAL 15 -0.952 13.959 -1.476 93 H ALA 16 H ALA 16 -1.173 9.211 -0.811 94 HA ALA 16 HA ALA 16 -0.210 7.487 -3.000 95 HB1 ALA 16 1HB ALA 16 0.054 5.744 -1.623 96 HB2 ALA 16 2HB ALA 16 0.057 6.947 -0.334 97 HB3 ALA 16 3HB ALA 16 -1.432 6.094 -0.741 98 H SER 17 H SER 17 -1.715 6.438 -4.233 99 HA SER 17 HA SER 17 -4.482 6.297 -3.503 100 HB2 SER 17 1HB SER 17 -5.393 7.765 -5.176 101 HB3 SER 17 2HB SER 17 -4.220 8.691 -4.240 102 HG SER 17 HG SER 17 -3.970 9.012 -6.493 103 H GLY 18 H GLY 18 -5.790 5.639 -5.607 104 HA2 GLY 18 1HA GLY 18 -5.257 4.565 -7.857 105 HA3 GLY 18 2HA GLY 18 -4.156 3.564 -6.922 106 HA PRO 19 HA PRO 19 -8.511 1.713 -7.172 107 HB2 PRO 19 1HB PRO 19 -7.907 -0.393 -8.776 108 HB3 PRO 19 2HB PRO 19 -8.439 1.172 -9.404 109 HG2 PRO 19 1HG PRO 19 -5.667 0.064 -9.181 110 HG3 PRO 19 2HG PRO 19 -6.412 0.955 -10.522 111 HD2 PRO 19 1HD PRO 19 -4.746 2.129 -8.739 112 HD3 PRO 19 2HD PRO 19 -6.089 2.999 -9.508 113 H GLY 20 H GLY 20 -5.282 0.300 -6.900 114 HA2 GLY 20 1HA GLY 20 -5.907 -2.125 -5.698 115 HA3 GLY 20 2HA GLY 20 -4.420 -1.229 -5.421 116 H LEU 21 H LEU 21 -5.718 1.083 -4.268 117 HA LEU 21 HA LEU 21 -5.940 0.111 -1.571 118 HB2 LEU 21 1HB LEU 21 -5.869 2.777 -2.891 119 HB3 LEU 21 2HB LEU 21 -6.527 2.667 -1.259 120 HG LEU 21 HG LEU 21 -3.841 1.493 -1.810 121 HD11 LEU 21 1HD1 LEU 21 -3.050 3.440 -2.551 122 HD12 LEU 21 2HD1 LEU 21 -3.298 4.037 -0.911 123 HD13 LEU 21 3HD1 LEU 21 -4.536 4.297 -2.139 124 HD21 LEU 21 1HD2 LEU 21 -3.458 2.002 0.483 125 HD22 LEU 21 2HD2 LEU 21 -5.054 1.258 0.372 126 HD23 LEU 21 3HD2 LEU 21 -4.907 3.005 0.566 127 H GLU 22 H GLU 22 -8.105 0.463 -4.092 128 HA GLU 22 HA GLU 22 -10.388 0.978 -2.326 129 HB2 GLU 22 1HB GLU 22 -10.366 0.760 -5.340 130 HB3 GLU 22 2HB GLU 22 -11.682 1.346 -4.332 131 HG2 GLU 22 1HG GLU 22 -9.890 3.095 -3.557 132 HG3 GLU 22 2HG GLU 22 -9.139 2.682 -5.097 133 H HIS 23 H HIS 23 -8.968 -1.456 -4.408 134 HA HIS 23 HA HIS 23 -10.267 -3.583 -3.086 135 HB2 HIS 23 1HB HIS 23 -11.681 -4.395 -4.951 136 HB3 HIS 23 2HB HIS 23 -12.242 -2.857 -4.303 137 HD1 HIS 23 1HD HIS 23 -10.106 -4.089 -7.201 138 HD2 HIS 23 2HD HIS 23 -12.697 -0.996 -6.212 139 HE1 HIS 23 1HE HIS 23 -10.373 -2.737 -9.305 140 HE2 HIS 23 2HE HIS 23 -11.877 -0.823 -8.659 141 H GLY 24 H GLY 24 -9.729 -5.694 -4.027 142 HA2 GLY 24 1HA GLY 24 -7.674 -5.655 -6.108 143 HA3 GLY 24 2HA GLY 24 -7.197 -6.242 -4.522 144 H LYS 25 H LYS 25 -6.917 -7.904 -6.633 145 HA LYS 25 HA LYS 25 -8.973 -9.926 -6.088 146 HB2 LYS 25 1HB LYS 25 -9.177 -8.656 -8.369 147 HB3 LYS 25 2HB LYS 25 -7.828 -9.678 -8.846 148 HG2 LYS 25 1HG LYS 25 -9.149 -11.667 -8.320 149 HG3 LYS 25 2HG LYS 25 -10.504 -10.638 -7.851 150 HD2 LYS 25 1HD LYS 25 -10.221 -9.642 -10.241 151 HD3 LYS 25 2HD LYS 25 -9.359 -11.147 -10.567 152 HE2 LYS 25 1HE LYS 25 -11.276 -12.451 -10.001 153 HE3 LYS 25 2HE LYS 25 -12.126 -11.036 -9.381 154 HZ1 LYS 25 1HZ LYS 25 -12.846 -11.749 -11.625 155 HZ2 LYS 25 2HZ LYS 25 -11.308 -11.367 -12.215 156 HZ3 LYS 25 3HZ LYS 25 -12.294 -10.151 -11.574 157 H VAL 26 H VAL 26 -8.246 -12.022 -5.981 158 HA VAL 26 HA VAL 26 -5.631 -12.516 -5.214 159 HB VAL 26 HB VAL 26 -7.584 -14.489 -6.408 160 HG11 VAL 26 1HG1 VAL 26 -5.515 -15.294 -4.442 161 HG12 VAL 26 2HG1 VAL 26 -6.229 -16.204 -5.776 162 HG13 VAL 26 3HG1 VAL 26 -4.991 -14.990 -6.098 163 HG21 VAL 26 1HG2 VAL 26 -8.548 -14.734 -4.357 164 HG22 VAL 26 2HG2 VAL 26 -7.084 -14.275 -3.488 165 HG23 VAL 26 3HG2 VAL 26 -8.085 -13.036 -4.245 166 H GLY 27 H GLY 27 -3.831 -12.323 -6.369 167 HA2 GLY 27 1HA GLY 27 -2.349 -13.129 -8.039 168 HA3 GLY 27 2HA GLY 27 -3.738 -13.539 -9.036 169 H GLU 28 H GLU 28 -4.994 -10.907 -8.569 170 HA GLU 28 HA GLU 28 -3.987 -9.560 -10.816 171 HB2 GLU 28 1HB GLU 28 -5.951 -8.937 -8.672 172 HB3 GLU 28 2HB GLU 28 -5.339 -7.589 -9.620 173 HG2 GLU 28 1HG GLU 28 -6.647 -10.051 -10.754 174 HG3 GLU 28 2HG GLU 28 -7.442 -8.499 -10.499 175 H ALA 29 H ALA 29 -3.572 -7.010 -10.467 176 HA ALA 29 HA ALA 29 -1.394 -6.770 -8.496 177 HB1 ALA 29 1HB ALA 29 -0.456 -5.137 -10.345 178 HB2 ALA 29 2HB ALA 29 -0.135 -6.871 -10.399 179 HB3 ALA 29 3HB ALA 29 -1.403 -6.178 -11.410 180 H GLY 30 H GLY 30 -1.932 -5.305 -7.021 181 HA2 GLY 30 1HA GLY 30 -3.971 -3.353 -7.450 182 HA3 GLY 30 2HA GLY 30 -2.948 -3.491 -6.028 183 H LEU 31 H LEU 31 -3.577 -1.766 -8.888 184 HA LEU 31 HA LEU 31 -1.032 -0.575 -9.285 185 HB2 LEU 31 1HB LEU 31 -3.772 0.436 -10.032 186 HB3 LEU 31 2HB LEU 31 -2.245 1.069 -10.643 187 HG LEU 31 HG LEU 31 -3.249 -1.736 -11.120 188 HD11 LEU 31 1HD1 LEU 31 -3.910 0.775 -12.398 189 HD12 LEU 31 2HD1 LEU 31 -4.620 -0.825 -12.614 190 HD13 LEU 31 3HD1 LEU 31 -3.181 -0.368 -13.526 191 HD21 LEU 31 1HD2 LEU 31 -0.937 -1.822 -11.333 192 HD22 LEU 31 2HD2 LEU 31 -0.838 -0.191 -11.999 193 HD23 LEU 31 3HD2 LEU 31 -1.480 -1.508 -12.982 194 H LEU 32 H LEU 32 -0.028 0.737 -7.925 195 HA LEU 32 HA LEU 32 -1.620 2.715 -6.440 196 HB2 LEU 32 1HB LEU 32 0.769 1.245 -5.340 197 HB3 LEU 32 2HB LEU 32 -0.234 2.419 -4.491 198 HG LEU 32 HG LEU 32 -1.116 -0.319 -5.405 199 HD11 LEU 32 1HD1 LEU 32 -1.095 0.368 -2.553 200 HD12 LEU 32 2HD1 LEU 32 0.498 0.235 -3.298 201 HD13 LEU 32 3HD1 LEU 32 -0.625 -1.123 -3.370 202 HD21 LEU 32 1HD2 LEU 32 -2.795 0.924 -3.446 203 HD22 LEU 32 2HD2 LEU 32 -3.209 0.326 -5.053 204 HD23 LEU 32 3HD2 LEU 32 -2.634 1.981 -4.849 205 H SER 33 H SER 33 -0.878 4.751 -6.526 206 HA SER 33 HA SER 33 1.815 5.182 -7.644 207 HB2 SER 33 1HB SER 33 -0.354 5.772 -9.038 208 HB3 SER 33 2HB SER 33 -0.343 7.216 -8.026 209 HG SER 33 HG SER 33 1.980 6.371 -9.382 210 H VAL 34 H VAL 34 3.158 6.349 -6.438 211 HA VAL 34 HA VAL 34 2.032 7.871 -4.181 212 HB VAL 34 HB VAL 34 4.787 6.660 -4.461 213 HG11 VAL 34 1HG1 VAL 34 3.521 8.319 -2.298 214 HG12 VAL 34 2HG1 VAL 34 4.913 7.276 -2.001 215 HG13 VAL 34 3HG1 VAL 34 5.034 8.606 -3.155 216 HG21 VAL 34 1HG2 VAL 34 2.838 5.856 -2.362 217 HG22 VAL 34 2HG2 VAL 34 2.618 5.232 -3.997 218 HG23 VAL 34 3HG2 VAL 34 4.121 4.921 -3.129 219 H ASP 35 H ASP 35 2.002 9.984 -4.538 220 HA ASP 35 HA ASP 35 4.047 11.180 -6.266 221 HB2 ASP 35 1HB ASP 35 1.739 11.659 -6.890 222 HB3 ASP 35 2HB ASP 35 1.410 12.285 -5.277 223 H CYS 36 H CYS 36 5.793 11.799 -5.163 224 HA CYS 36 HA CYS 36 5.446 12.999 -2.506 225 HB2 CYS 36 1HB CYS 36 7.844 12.576 -2.192 226 HB3 CYS 36 2HB CYS 36 6.988 11.099 -2.616 227 HG CYS 36 HG CYS 36 8.164 12.614 -5.318 228 H SER 37 H SER 37 5.809 15.099 -2.168 229 HA SER 37 HA SER 37 7.072 16.645 -4.338 230 HB2 SER 37 1HB SER 37 4.706 17.273 -2.590 231 HB3 SER 37 2HB SER 37 5.643 18.569 -3.336 232 HG SER 37 HG SER 37 4.042 16.604 -4.533 233 H GLU 38 H GLU 38 6.314 16.889 -0.858 234 HA GLU 38 HA GLU 38 8.999 18.038 -0.462 235 HB2 GLU 38 1HB GLU 38 6.349 18.838 0.677 236 HB3 GLU 38 2HB GLU 38 7.809 19.104 1.619 237 HG2 GLU 38 1HG GLU 38 8.705 20.567 0.004 238 HG3 GLU 38 2HG GLU 38 7.504 20.096 -1.197 239 H ALA 39 H ALA 39 7.925 15.239 -0.278 240 HA ALA 39 HA ALA 39 7.821 14.509 2.466 241 HB1 ALA 39 1HB ALA 39 8.465 12.780 0.081 242 HB2 ALA 39 2HB ALA 39 7.967 12.222 1.678 243 HB3 ALA 39 3HB ALA 39 6.843 13.138 0.675 244 H GLY 40 H GLY 40 10.380 15.406 0.435 245 HA2 GLY 40 1HA GLY 40 12.647 15.516 0.795 246 HA3 GLY 40 2HA GLY 40 12.323 15.086 2.468 247 HA PRO 41 HA PRO 41 14.735 11.604 0.682 248 HB2 PRO 41 1HB PRO 41 16.169 11.158 2.944 249 HB3 PRO 41 2HB PRO 41 16.631 12.363 1.736 250 HG2 PRO 41 1HG PRO 41 15.193 12.741 4.335 251 HG3 PRO 41 2HG PRO 41 16.495 13.713 3.624 252 HD2 PRO 41 1HD PRO 41 13.892 14.453 3.506 253 HD3 PRO 41 2HD PRO 41 15.055 14.844 2.223 254 H GLY 42 H GLY 42 15.384 9.537 2.343 255 HA2 GLY 42 1HA GLY 42 14.465 8.011 3.936 256 HA3 GLY 42 2HA GLY 42 12.900 8.781 3.721 257 H ALA 43 H ALA 43 13.800 5.933 3.520 258 HA ALA 43 HA ALA 43 13.274 5.341 0.708 259 HB1 ALA 43 1HB ALA 43 13.669 3.164 2.681 260 HB2 ALA 43 2HB ALA 43 14.268 3.322 1.029 261 HB3 ALA 43 3HB ALA 43 15.045 4.213 2.338 262 H LEU 44 H LEU 44 11.450 4.372 -0.032 263 HA LEU 44 HA LEU 44 9.196 4.251 1.815 264 HB2 LEU 44 1HB LEU 44 8.605 5.433 -0.087 265 HB3 LEU 44 2HB LEU 44 9.490 4.349 -1.157 266 HG LEU 44 HG LEU 44 7.727 2.611 -0.657 267 HD11 LEU 44 1HD1 LEU 44 6.442 3.105 1.111 268 HD12 LEU 44 2HD1 LEU 44 5.527 4.079 -0.040 269 HD13 LEU 44 3HD1 LEU 44 6.750 4.837 0.980 270 HD21 LEU 44 1HD2 LEU 44 6.404 3.326 -2.408 271 HD22 LEU 44 2HD2 LEU 44 7.879 4.259 -2.663 272 HD23 LEU 44 3HD2 LEU 44 6.474 5.017 -1.911 273 H GLY 45 H GLY 45 7.915 2.429 2.122 274 HA2 GLY 45 1HA GLY 45 8.534 -0.055 0.788 275 HA3 GLY 45 2HA GLY 45 9.054 -0.007 2.466 276 H LEU 46 H LEU 46 6.766 -1.274 0.680 277 HA LEU 46 HA LEU 46 4.596 -0.721 2.593 278 HB2 LEU 46 1HB LEU 46 4.030 -0.117 0.314 279 HB3 LEU 46 2HB LEU 46 4.468 -1.730 -0.245 280 HG LEU 46 HG LEU 46 2.578 -2.485 1.407 281 HD11 LEU 46 1HD1 LEU 46 1.663 -0.735 2.465 282 HD12 LEU 46 2HD1 LEU 46 0.795 -0.484 0.951 283 HD13 LEU 46 3HD1 LEU 46 2.268 0.426 1.284 284 HD21 LEU 46 1HD2 LEU 46 1.056 -1.496 -0.722 285 HD22 LEU 46 2HD2 LEU 46 1.807 -3.087 -0.586 286 HD23 LEU 46 3HD2 LEU 46 2.672 -1.767 -1.376 287 H GLU 47 H GLU 47 3.366 -2.463 3.398 288 HA GLU 47 HA GLU 47 4.531 -5.133 3.001 289 HB2 GLU 47 1HB GLU 47 5.384 -4.206 5.112 290 HB3 GLU 47 2HB GLU 47 3.736 -3.930 5.658 291 HG2 GLU 47 1HG GLU 47 4.209 -5.891 6.718 292 HG3 GLU 47 2HG GLU 47 3.482 -6.497 5.230 293 H ALA 48 H ALA 48 3.019 -6.420 2.202 294 HA ALA 48 HA ALA 48 0.202 -5.874 2.792 295 HB1 ALA 48 1HB ALA 48 -0.346 -7.130 0.863 296 HB2 ALA 48 2HB ALA 48 1.028 -6.117 0.420 297 HB3 ALA 48 3HB ALA 48 1.271 -7.828 0.770 298 H VAL 49 H VAL 49 -0.891 -7.078 4.194 299 HA VAL 49 HA VAL 49 -0.181 -9.878 4.593 300 HB VAL 49 HB VAL 49 -0.259 -7.878 6.857 301 HG11 VAL 49 1HG1 VAL 49 0.462 -10.123 8.078 302 HG12 VAL 49 2HG1 VAL 49 -1.230 -9.655 7.900 303 HG13 VAL 49 3HG1 VAL 49 -0.519 -10.833 6.797 304 HG21 VAL 49 1HG2 VAL 49 1.875 -7.806 5.852 305 HG22 VAL 49 2HG2 VAL 49 2.050 -8.848 7.265 306 HG23 VAL 49 3HG2 VAL 49 1.928 -9.558 5.655 307 H SER 50 H SER 50 -1.951 -11.095 4.736 308 HA SER 50 HA SER 50 -4.538 -9.776 4.981 309 HB2 SER 50 1HB SER 50 -3.974 -11.491 3.167 310 HB3 SER 50 2HB SER 50 -4.068 -12.708 4.440 311 HG SER 50 HG SER 50 -6.171 -10.875 4.036 312 H ASP 51 H ASP 51 -6.224 -10.715 6.337 313 HA ASP 51 HA ASP 51 -5.632 -10.821 8.997 314 HB2 ASP 51 1HB ASP 51 -7.847 -12.579 8.043 315 HB3 ASP 51 2HB ASP 51 -7.830 -11.412 9.362 316 H SER 52 H SER 52 -5.492 -13.444 6.681 317 HA SER 52 HA SER 52 -4.965 -15.416 8.749 318 HB2 SER 52 1HB SER 52 -5.403 -15.509 5.789 319 HB3 SER 52 2HB SER 52 -4.583 -16.858 6.575 320 HG SER 52 HG SER 52 -6.451 -17.499 7.260 321 H GLY 53 H GLY 53 -3.105 -13.206 8.423 322 HA2 GLY 53 1HA GLY 53 -0.850 -12.793 8.218 323 HA3 GLY 53 2HA GLY 53 -0.686 -14.445 8.793 324 H THR 54 H THR 54 -1.883 -13.091 5.727 325 HA THR 54 HA THR 54 -0.040 -14.897 4.320 326 HB THR 54 HB THR 54 -2.388 -13.444 3.103 327 HG1 THR 54 1HG THR 54 -3.022 -14.891 4.837 328 HG21 THR 54 1HG2 THR 54 -1.224 -16.041 2.175 329 HG22 THR 54 2HG2 THR 54 -0.443 -14.520 1.741 330 HG23 THR 54 3HG2 THR 54 -2.112 -14.822 1.260 331 H LYS 55 H LYS 55 1.832 -13.846 3.976 332 HA LYS 55 HA LYS 55 1.954 -11.035 3.421 333 HB2 LYS 55 1HB LYS 55 4.091 -13.165 3.211 334 HB3 LYS 55 2HB LYS 55 4.370 -11.431 3.125 335 HG2 LYS 55 1HG LYS 55 3.892 -11.118 5.382 336 HG3 LYS 55 2HG LYS 55 3.058 -12.668 5.516 337 HD2 LYS 55 1HD LYS 55 5.212 -13.821 5.158 338 HD3 LYS 55 2HD LYS 55 6.021 -12.253 5.113 339 HE2 LYS 55 1HE LYS 55 6.336 -12.925 7.308 340 HE3 LYS 55 2HE LYS 55 4.917 -11.886 7.423 341 HZ1 LYS 55 1HZ LYS 55 5.173 -14.648 8.041 342 HZ2 LYS 55 2HZ LYS 55 3.938 -14.402 6.912 343 HZ3 LYS 55 3HZ LYS 55 3.904 -13.586 8.393 344 H ALA 56 H ALA 56 1.341 -10.232 1.527 345 HA ALA 56 HA ALA 56 1.530 -11.837 -0.892 346 HB1 ALA 56 1HB ALA 56 -0.305 -10.728 -1.452 347 HB2 ALA 56 2HB ALA 56 -0.184 -9.772 0.025 348 HB3 ALA 56 3HB ALA 56 0.600 -9.215 -1.453 349 H GLU 57 H GLU 57 2.708 -11.268 -2.721 350 HA GLU 57 HA GLU 57 5.228 -10.106 -2.285 351 HB2 GLU 57 1HB GLU 57 4.400 -11.756 -4.134 352 HB3 GLU 57 2HB GLU 57 4.024 -10.287 -5.024 353 HG2 GLU 57 1HG GLU 57 6.733 -10.548 -3.842 354 HG3 GLU 57 2HG GLU 57 6.344 -11.511 -5.267 355 H VAL 58 H VAL 58 6.038 -8.100 -2.613 356 HA VAL 58 HA VAL 58 4.272 -6.055 -3.767 357 HB VAL 58 HB VAL 58 5.862 -5.703 -1.221 358 HG11 VAL 58 1HG1 VAL 58 3.869 -3.734 -2.242 359 HG12 VAL 58 2HG1 VAL 58 5.270 -3.482 -1.199 360 HG13 VAL 58 3HG1 VAL 58 5.493 -3.748 -2.929 361 HG21 VAL 58 1HG2 VAL 58 3.655 -5.445 -0.152 362 HG22 VAL 58 2HG2 VAL 58 2.884 -5.877 -1.678 363 HG23 VAL 58 3HG2 VAL 58 3.889 -7.055 -0.833 364 H SER 59 H SER 59 5.271 -4.513 -4.982 365 HA SER 59 HA SER 59 8.208 -4.515 -5.064 366 HB2 SER 59 1HB SER 59 7.531 -5.896 -6.928 367 HB3 SER 59 2HB SER 59 6.350 -4.694 -7.446 368 HG SER 59 HG SER 59 9.042 -4.813 -7.905 369 H ILE 60 H ILE 60 9.151 -2.550 -5.374 370 HA ILE 60 HA ILE 60 7.356 -0.257 -5.819 371 HB ILE 60 HB ILE 60 9.695 -0.366 -3.911 372 HG12 ILE 60 1HG1 ILE 60 6.842 0.211 -3.171 373 HG13 ILE 60 2HG1 ILE 60 7.400 -1.452 -3.319 374 HG21 ILE 60 1HG2 ILE 60 9.814 1.824 -4.385 375 HG22 ILE 60 2HG2 ILE 60 8.215 1.852 -5.126 376 HG23 ILE 60 3HG2 ILE 60 8.375 1.948 -3.373 377 HD11 ILE 60 1HD1 ILE 60 8.524 0.642 -1.474 378 HD12 ILE 60 2HD1 ILE 60 7.493 -0.715 -1.019 379 HD13 ILE 60 3HD1 ILE 60 9.119 -1.010 -1.635 380 H GLN 61 H GLN 61 7.886 0.886 -7.551 381 HA GLN 61 HA GLN 61 10.590 0.622 -8.651 382 HB2 GLN 61 1HB GLN 61 8.754 0.068 -10.166 383 HB3 GLN 61 2HB GLN 61 8.048 1.659 -9.916 384 HG2 GLN 61 1HG GLN 61 9.120 1.902 -11.936 385 HG3 GLN 61 2HG GLN 61 10.307 2.541 -10.801 386 HE21 GLN 61 1HE2 GLN 61 9.589 0.116 -13.110 387 HE22 GLN 61 2HE2 GLN 61 11.113 -0.696 -13.066 388 H ASN 62 H ASN 62 11.942 2.326 -8.901 389 HA ASN 62 HA ASN 62 11.059 4.876 -7.739 390 HB2 ASN 62 1HB ASN 62 13.866 3.827 -8.167 391 HB3 ASN 62 2HB ASN 62 13.444 5.345 -7.379 392 HD21 ASN 62 1HD2 ASN 62 14.714 4.419 -5.623 393 HD22 ASN 62 2HD2 ASN 62 13.934 3.363 -4.499 394 H ASN 63 H ASN 63 11.027 6.704 -8.911 395 HA ASN 63 HA ASN 63 12.154 6.606 -11.632 396 HB2 ASN 63 1HB ASN 63 9.542 7.778 -10.679 397 HB3 ASN 63 2HB ASN 63 10.265 8.213 -12.225 398 HD21 ASN 63 1HD2 ASN 63 8.139 6.189 -10.726 399 HD22 ASN 63 2HD2 ASN 63 8.053 4.939 -11.915 400 H LYS 64 H LYS 64 12.986 8.554 -12.480 401 HA LYS 64 HA LYS 64 14.081 10.310 -10.451 402 HB2 LYS 64 1HB LYS 64 15.254 9.317 -12.585 403 HB3 LYS 64 2HB LYS 64 14.527 10.704 -13.385 404 HG2 LYS 64 1HG LYS 64 15.641 12.177 -11.726 405 HG3 LYS 64 2HG LYS 64 16.460 10.753 -11.079 406 HD2 LYS 64 1HD LYS 64 16.627 11.454 -13.992 407 HD3 LYS 64 2HD LYS 64 17.702 12.202 -12.809 408 HE2 LYS 64 1HE LYS 64 17.379 9.222 -13.065 409 HE3 LYS 64 2HE LYS 64 18.575 10.132 -13.987 410 HZ1 LYS 64 1HZ LYS 64 18.764 10.873 -11.289 411 HZ2 LYS 64 2HZ LYS 64 19.915 10.083 -12.244 412 HZ3 LYS 64 3HZ LYS 64 18.780 9.183 -11.371 413 H ASP 65 H ASP 65 11.172 10.324 -11.345 414 HA ASP 65 HA ASP 65 10.977 13.100 -12.281 415 HB2 ASP 65 1HB ASP 65 9.651 11.707 -13.648 416 HB3 ASP 65 2HB ASP 65 9.036 10.798 -12.270 417 H GLY 66 H GLY 66 9.719 10.917 -9.773 418 HA2 GLY 66 1HA GLY 66 9.906 12.125 -7.503 419 HA3 GLY 66 2HA GLY 66 8.813 13.275 -8.259 420 H THR 67 H THR 67 8.644 9.824 -8.821 421 HA THR 67 HA THR 67 6.399 9.548 -6.977 422 HB THR 67 HB THR 67 4.937 8.569 -8.696 423 HG1 THR 67 1HG THR 67 6.771 8.066 -10.146 424 HG21 THR 67 1HG2 THR 67 4.421 10.680 -9.929 425 HG22 THR 67 2HG2 THR 67 5.898 11.375 -9.258 426 HG23 THR 67 3HG2 THR 67 4.584 10.890 -8.186 427 H TYR 68 H TYR 68 5.518 7.181 -7.201 428 HA TYR 68 HA TYR 68 7.663 5.293 -7.811 429 HB2 TYR 68 1HB TYR 68 6.301 5.450 -5.114 430 HB3 TYR 68 2HB TYR 68 7.409 4.179 -5.621 431 HD1 TYR 68 2HD TYR 68 7.224 7.869 -5.135 432 HD2 TYR 68 1HD TYR 68 9.689 4.402 -5.213 433 HE1 TYR 68 2HE TYR 68 9.121 9.206 -4.320 434 HE2 TYR 68 1HE TYR 68 11.593 5.729 -4.397 435 HH TYR 68 HH TYR 68 12.090 7.748 -3.291 436 H ALA 69 H ALA 69 6.965 3.215 -8.281 437 HA ALA 69 HA ALA 69 4.056 2.944 -8.632 438 HB1 ALA 69 1HB ALA 69 6.057 1.237 -10.056 439 HB2 ALA 69 2HB ALA 69 4.416 1.673 -10.534 440 HB3 ALA 69 3HB ALA 69 5.708 2.871 -10.623 441 H VAL 70 H VAL 70 3.308 1.934 -6.848 442 HA VAL 70 HA VAL 70 4.732 -0.448 -5.883 443 HB VAL 70 HB VAL 70 2.668 1.314 -4.570 444 HG11 VAL 70 1HG1 VAL 70 3.756 -1.343 -3.659 445 HG12 VAL 70 2HG1 VAL 70 2.933 -0.201 -2.595 446 HG13 VAL 70 3HG1 VAL 70 2.072 -0.915 -3.958 447 HG21 VAL 70 1HG2 VAL 70 5.552 1.123 -4.517 448 HG22 VAL 70 2HG2 VAL 70 4.495 2.372 -3.860 449 HG23 VAL 70 3HG2 VAL 70 4.862 0.935 -2.905 450 H THR 71 H THR 71 3.763 -2.431 -5.785 451 HA THR 71 HA THR 71 0.963 -2.695 -6.567 452 HB THR 71 HB THR 71 2.973 -4.436 -7.959 453 HG1 THR 71 1HG THR 71 2.147 -1.816 -8.666 454 HG21 THR 71 1HG2 THR 71 0.331 -4.681 -7.815 455 HG22 THR 71 2HG2 THR 71 1.224 -5.081 -9.282 456 HG23 THR 71 3HG2 THR 71 0.404 -3.526 -9.145 457 H TYR 72 H TYR 72 0.004 -4.656 -5.944 458 HA TYR 72 HA TYR 72 1.656 -6.498 -4.373 459 HB2 TYR 72 1HB TYR 72 0.235 -6.434 -2.480 460 HB3 TYR 72 2HB TYR 72 0.532 -4.750 -2.899 461 HD1 TYR 72 2HD TYR 72 -1.959 -7.465 -2.968 462 HD2 TYR 72 1HD TYR 72 -1.248 -3.320 -3.613 463 HE1 TYR 72 2HE TYR 72 -4.385 -7.071 -3.075 464 HE2 TYR 72 1HE TYR 72 -3.671 -2.914 -3.721 465 HH TYR 72 HH TYR 72 -5.729 -3.880 -3.097 466 H VAL 73 H VAL 73 1.174 -8.581 -4.702 467 HA VAL 73 HA VAL 73 -1.298 -9.194 -6.188 468 HB VAL 73 HB VAL 73 1.318 -10.706 -6.222 469 HG11 VAL 73 1HG1 VAL 73 0.206 -11.900 -8.148 470 HG12 VAL 73 2HG1 VAL 73 -0.436 -12.267 -6.546 471 HG13 VAL 73 3HG1 VAL 73 -1.308 -11.169 -7.617 472 HG21 VAL 73 1HG2 VAL 73 1.175 -8.430 -7.394 473 HG22 VAL 73 2HG2 VAL 73 1.744 -9.807 -8.339 474 HG23 VAL 73 3HG2 VAL 73 0.088 -9.232 -8.528 475 HA PRO 74 HA PRO 74 -2.097 -11.291 -2.249 476 HB2 PRO 74 1HB PRO 74 -4.771 -11.497 -2.665 477 HB3 PRO 74 2HB PRO 74 -4.004 -10.023 -2.062 478 HG2 PRO 74 1HG PRO 74 -4.884 -10.700 -4.842 479 HG3 PRO 74 2HG PRO 74 -5.074 -9.181 -3.947 480 HD2 PRO 74 1HD PRO 74 -3.140 -9.543 -5.807 481 HD3 PRO 74 2HD PRO 74 -2.914 -8.507 -4.383 482 H LEU 75 H LEU 75 -1.727 -13.402 -2.070 483 HA LEU 75 HA LEU 75 -2.167 -15.200 -4.269 484 HB2 LEU 75 1HB LEU 75 -1.226 -15.691 -1.448 485 HB3 LEU 75 2HB LEU 75 -1.261 -16.909 -2.721 486 HG LEU 75 HG LEU 75 0.364 -14.380 -2.904 487 HD11 LEU 75 1HD1 LEU 75 1.368 -15.402 -1.091 488 HD12 LEU 75 2HD1 LEU 75 2.268 -16.077 -2.448 489 HD13 LEU 75 3HD1 LEU 75 1.002 -17.027 -1.671 490 HD21 LEU 75 1HD2 LEU 75 0.015 -15.302 -5.047 491 HD22 LEU 75 2HD2 LEU 75 0.255 -16.949 -4.464 492 HD23 LEU 75 3HD2 LEU 75 1.622 -15.836 -4.551 493 H THR 76 H THR 76 -3.779 -14.401 -1.285 494 HA THR 76 HA THR 76 -5.891 -16.336 -1.967 495 HB THR 76 HB THR 76 -4.578 -17.110 0.007 496 HG1 THR 76 1HG THR 76 -7.135 -16.372 0.939 497 HG21 THR 76 1HG2 THR 76 -4.548 -14.481 0.750 498 HG22 THR 76 2HG2 THR 76 -4.180 -15.836 1.819 499 HG23 THR 76 3HG2 THR 76 -5.801 -15.140 1.803 500 H ALA 77 H ALA 77 -8.020 -15.713 -1.479 501 HA ALA 77 HA ALA 77 -8.488 -12.889 -1.637 502 HB1 ALA 77 1HB ALA 77 -9.857 -15.046 -2.515 503 HB2 ALA 77 2HB ALA 77 -10.778 -14.644 -1.065 504 HB3 ALA 77 3HB ALA 77 -10.558 -13.437 -2.331 505 H GLY 78 H GLY 78 -9.722 -11.621 -0.162 506 HA2 GLY 78 1HA GLY 78 -10.920 -11.887 2.108 507 HA3 GLY 78 2HA GLY 78 -9.352 -12.488 2.626 508 H MET 79 H MET 79 -10.228 -10.457 4.042 509 HA MET 79 HA MET 79 -9.653 -7.880 3.007 510 HB2 MET 79 1HB MET 79 -9.780 -8.844 5.870 511 HB3 MET 79 2HB MET 79 -9.735 -7.157 5.374 512 HG2 MET 79 1HG MET 79 -11.882 -9.008 4.412 513 HG3 MET 79 2HG MET 79 -11.996 -8.190 5.968 514 HE1 MET 79 1HE MET 79 -10.708 -4.880 4.659 515 HE2 MET 79 2HE MET 79 -12.277 -4.663 5.435 516 HE3 MET 79 3HE MET 79 -11.119 -5.818 6.095 517 H TYR 80 H TYR 80 -7.784 -6.819 2.805 518 HA TYR 80 HA TYR 80 -5.368 -8.075 3.921 519 HB2 TYR 80 1HB TYR 80 -5.935 -6.650 1.373 520 HB3 TYR 80 2HB TYR 80 -4.341 -6.425 2.082 521 HD1 TYR 80 2HD TYR 80 -6.696 -8.954 0.765 522 HD2 TYR 80 1HD TYR 80 -2.700 -8.135 1.974 523 HE1 TYR 80 2HE TYR 80 -5.970 -11.094 -0.204 524 HE2 TYR 80 1HE TYR 80 -1.963 -10.273 1.007 525 HH TYR 80 HH TYR 80 -3.663 -12.716 0.433 526 H THR 81 H THR 81 -3.702 -6.718 4.755 527 HA THR 81 HA THR 81 -4.691 -4.110 5.711 528 HB THR 81 HB THR 81 -2.781 -6.003 7.097 529 HG1 THR 81 1HG THR 81 -5.393 -5.155 7.863 530 HG21 THR 81 1HG2 THR 81 -3.619 -4.072 8.901 531 HG22 THR 81 2HG2 THR 81 -3.292 -3.162 7.426 532 HG23 THR 81 3HG2 THR 81 -2.033 -4.170 8.138 533 H LEU 82 H LEU 82 -3.801 -2.872 4.068 534 HA LEU 82 HA LEU 82 -1.105 -3.125 3.201 535 HB2 LEU 82 1HB LEU 82 -2.864 -0.694 2.971 536 HB3 LEU 82 2HB LEU 82 -1.478 -1.113 1.966 537 HG LEU 82 HG LEU 82 -4.029 -2.716 2.041 538 HD11 LEU 82 1HD1 LEU 82 -4.339 -1.613 -0.253 539 HD12 LEU 82 2HD1 LEU 82 -3.218 -0.386 0.338 540 HD13 LEU 82 3HD1 LEU 82 -4.740 -0.669 1.182 541 HD21 LEU 82 1HD2 LEU 82 -2.453 -4.130 1.159 542 HD22 LEU 82 2HD2 LEU 82 -1.489 -2.815 0.485 543 HD23 LEU 82 3HD2 LEU 82 -2.994 -3.298 -0.300 544 H THR 83 H THR 83 0.720 -2.239 3.960 545 HA THR 83 HA THR 83 0.520 -0.143 6.013 546 HB THR 83 HB THR 83 2.422 -2.486 6.193 547 HG1 THR 83 1HG THR 83 -0.058 -2.668 6.637 548 HG21 THR 83 1HG2 THR 83 3.505 -1.111 7.588 549 HG22 THR 83 2HG2 THR 83 2.136 -1.308 8.682 550 HG23 THR 83 3HG2 THR 83 2.190 0.062 7.574 551 H MET 84 H MET 84 1.529 1.589 5.246 552 HA MET 84 HA MET 84 4.015 1.197 3.712 553 HB2 MET 84 1HB MET 84 2.007 2.113 2.443 554 HB3 MET 84 2HB MET 84 2.165 3.561 3.428 555 HG2 MET 84 1HG MET 84 4.351 3.994 2.549 556 HG3 MET 84 2HG MET 84 4.353 2.457 1.687 557 HE1 MET 84 1HE MET 84 3.593 2.160 -0.677 558 HE2 MET 84 2HE MET 84 2.000 1.983 0.058 559 HE3 MET 84 3HE MET 84 2.205 2.997 -1.371 560 H LYS 85 H LYS 85 5.795 2.089 4.531 561 HA LYS 85 HA LYS 85 5.508 4.268 6.489 562 HB2 LYS 85 1HB LYS 85 7.095 1.729 6.709 563 HB3 LYS 85 2HB LYS 85 7.611 3.176 7.566 564 HG2 LYS 85 1HG LYS 85 5.093 3.158 8.372 565 HG3 LYS 85 2HG LYS 85 5.253 1.436 8.020 566 HD2 LYS 85 1HD LYS 85 7.500 1.747 9.392 567 HD3 LYS 85 2HD LYS 85 6.596 3.091 10.092 568 HE2 LYS 85 1HE LYS 85 4.882 1.652 10.867 569 HE3 LYS 85 2HE LYS 85 5.485 0.302 9.906 570 HZ1 LYS 85 1HZ LYS 85 6.147 0.982 12.535 571 HZ2 LYS 85 2HZ LYS 85 7.540 1.175 11.595 572 HZ3 LYS 85 3HZ LYS 85 6.731 -0.310 11.612 573 H TYR 86 H TYR 86 6.513 6.026 5.796 574 HA TYR 86 HA TYR 86 8.681 5.763 3.847 575 HB2 TYR 86 1HB TYR 86 6.598 7.314 3.594 576 HB3 TYR 86 2HB TYR 86 7.476 8.381 4.684 577 HD1 TYR 86 2HD TYR 86 7.728 6.624 1.421 578 HD2 TYR 86 1HD TYR 86 9.171 9.788 3.873 579 HE1 TYR 86 2HE TYR 86 9.002 7.513 -0.486 580 HE2 TYR 86 1HE TYR 86 10.448 10.687 1.973 581 HH TYR 86 HH TYR 86 10.764 10.563 -0.256 582 H GLY 87 H GLY 87 10.740 6.086 4.381 583 HA2 GLY 87 1HA GLY 87 12.594 6.522 5.666 584 HA3 GLY 87 2HA GLY 87 11.773 8.027 6.054 585 H GLY 88 H GLY 88 10.061 5.225 6.964 586 HA2 GLY 88 1HA GLY 88 10.178 3.993 9.000 587 HA3 GLY 88 2HA GLY 88 11.216 5.246 9.663 588 H GLU 89 H GLU 89 8.461 6.329 7.937 589 HA GLU 89 HA GLU 89 6.939 6.657 10.429 590 HB2 GLU 89 1HB GLU 89 7.399 8.839 8.387 591 HB3 GLU 89 2HB GLU 89 6.410 8.969 9.834 592 HG2 GLU 89 1HG GLU 89 9.246 8.185 10.177 593 HG3 GLU 89 2HG GLU 89 8.901 9.856 9.731 594 H LEU 90 H LEU 90 4.835 6.199 10.244 595 HA LEU 90 HA LEU 90 3.786 5.046 7.909 596 HB2 LEU 90 1HB LEU 90 2.714 5.873 10.544 597 HB3 LEU 90 2HB LEU 90 1.548 5.619 9.248 598 HG LEU 90 HG LEU 90 3.533 3.559 10.208 599 HD11 LEU 90 1HD1 LEU 90 0.567 3.693 10.718 600 HD12 LEU 90 2HD1 LEU 90 1.801 4.160 11.889 601 HD13 LEU 90 3HD1 LEU 90 1.706 2.491 11.326 602 HD21 LEU 90 1HD2 LEU 90 2.340 3.683 7.781 603 HD22 LEU 90 2HD2 LEU 90 1.130 2.786 8.699 604 HD23 LEU 90 3HD2 LEU 90 2.785 2.182 8.594 605 H VAL 91 H VAL 91 2.241 5.770 6.431 606 HA VAL 91 HA VAL 91 2.236 8.670 6.042 607 HB VAL 91 HB VAL 91 1.041 7.800 3.818 608 HG11 VAL 91 1HG1 VAL 91 4.018 7.621 4.270 609 HG12 VAL 91 2HG1 VAL 91 3.200 7.883 2.728 610 HG13 VAL 91 3HG1 VAL 91 3.122 9.114 3.989 611 HG21 VAL 91 1HG2 VAL 91 1.646 5.667 3.127 612 HG22 VAL 91 2HG2 VAL 91 2.920 5.526 4.337 613 HG23 VAL 91 3HG2 VAL 91 1.228 5.424 4.823 614 HA PRO 92 HA PRO 92 -2.002 9.270 7.009 615 HB2 PRO 92 1HB PRO 92 -2.808 11.004 5.082 616 HB3 PRO 92 2HB PRO 92 -1.733 11.471 6.405 617 HG2 PRO 92 1HG PRO 92 -1.056 10.748 3.580 618 HG3 PRO 92 2HG PRO 92 -0.414 12.062 4.583 619 HD2 PRO 92 1HD PRO 92 0.928 9.745 4.183 620 HD3 PRO 92 2HD PRO 92 1.046 10.668 5.695 621 H HIS 93 H HIS 93 -1.101 7.437 4.453 622 HA HIS 93 HA HIS 93 -3.888 6.907 3.654 623 HB2 HIS 93 1HB HIS 93 -1.435 6.361 1.976 624 HB3 HIS 93 2HB HIS 93 -3.120 6.251 1.473 625 HD1 HIS 93 1HD HIS 93 -4.092 8.284 0.418 626 HD2 HIS 93 2HD HIS 93 -0.612 9.123 2.526 627 HE1 HIS 93 1HE HIS 93 -3.573 10.695 -0.074 628 HE2 HIS 93 2HE HIS 93 -1.417 11.155 1.143 629 H PHE 94 H PHE 94 -1.908 5.789 5.757 630 HA PHE 94 HA PHE 94 -2.760 3.050 5.458 631 HB2 PHE 94 1HB PHE 94 0.192 3.709 5.513 632 HB3 PHE 94 2HB PHE 94 -0.495 2.093 5.629 633 HD1 PHE 94 2HD PHE 94 -0.238 5.043 3.399 634 HD2 PHE 94 1HD PHE 94 -0.980 0.864 3.709 635 HE1 PHE 94 2HE PHE 94 -0.202 4.859 0.946 636 HE2 PHE 94 1HE PHE 94 -0.944 0.672 1.256 637 HZ PHE 94 HZ PHE 94 -0.556 2.671 -0.129 638 HA PRO 95 HA PRO 95 -1.966 1.073 6.471 639 HB2 PRO 95 1HB PRO 95 -3.616 -0.341 8.098 640 HB3 PRO 95 2HB PRO 95 -1.872 -0.230 8.361 641 HG2 PRO 95 1HG PRO 95 -4.088 1.292 9.678 642 HG3 PRO 95 2HG PRO 95 -2.643 0.566 10.406 643 HD2 PRO 95 1HD PRO 95 -2.827 3.212 9.859 644 HD3 PRO 95 2HD PRO 95 -1.291 2.325 9.780 645 H ALA 96 H ALA 96 -3.602 0.160 5.179 646 HA ALA 96 HA ALA 96 -6.245 1.437 5.331 647 HB1 ALA 96 1HB ALA 96 -4.758 2.518 3.603 648 HB2 ALA 96 2HB ALA 96 -4.813 0.990 2.723 649 HB3 ALA 96 3HB ALA 96 -6.298 1.896 3.009 650 H ARG 97 H ARG 97 -7.958 0.134 4.884 651 HA ARG 97 HA ARG 97 -7.364 -2.706 4.532 652 HB2 ARG 97 1HB ARG 97 -9.539 -3.145 5.391 653 HB3 ARG 97 2HB ARG 97 -8.846 -1.881 6.398 654 HG2 ARG 97 1HG ARG 97 -10.912 -1.003 6.087 655 HG3 ARG 97 2HG ARG 97 -10.111 -0.324 4.669 656 HD2 ARG 97 1HD ARG 97 -11.201 -1.713 3.218 657 HD3 ARG 97 2HD ARG 97 -11.369 -3.002 4.409 658 HE ARG 97 HE ARG 97 -13.404 -2.140 4.971 659 HH11 ARG 97 1HH1 ARG 97 -11.558 0.330 3.355 660 HH12 ARG 97 2HH1 ARG 97 -12.866 1.465 3.316 661 HH21 ARG 97 1HH2 ARG 97 -15.133 -0.654 4.927 662 HH22 ARG 97 2HH2 ARG 97 -14.899 0.905 4.212 663 H VAL 98 H VAL 98 -7.981 -3.881 2.796 664 HA VAL 98 HA VAL 98 -9.742 -2.663 0.799 665 HB VAL 98 HB VAL 98 -7.004 -3.774 0.168 666 HG11 VAL 98 1HG1 VAL 98 -7.601 -4.050 -1.964 667 HG12 VAL 98 2HG1 VAL 98 -9.269 -3.957 -1.396 668 HG13 VAL 98 3HG1 VAL 98 -8.462 -2.512 -2.007 669 HG21 VAL 98 1HG2 VAL 98 -7.310 -1.248 -0.955 670 HG22 VAL 98 2HG2 VAL 98 -8.003 -1.106 0.660 671 HG23 VAL 98 3HG2 VAL 98 -6.343 -1.667 0.459 672 H LYS 99 H LYS 99 -11.325 -4.074 0.502 673 HA LYS 99 HA LYS 99 -11.084 -6.841 1.150 674 HB2 LYS 99 1HB LYS 99 -13.207 -5.719 1.441 675 HB3 LYS 99 2HB LYS 99 -13.261 -5.294 -0.264 676 HG2 LYS 99 1HG LYS 99 -13.631 -7.534 -0.911 677 HG3 LYS 99 2HG LYS 99 -13.227 -8.140 0.697 678 HD2 LYS 99 1HD LYS 99 -15.540 -8.229 0.706 679 HD3 LYS 99 2HD LYS 99 -15.226 -6.668 1.469 680 HE2 LYS 99 1HE LYS 99 -15.976 -5.482 -0.336 681 HE3 LYS 99 2HE LYS 99 -15.532 -6.742 -1.486 682 HZ1 LYS 99 1HZ LYS 99 -17.454 -7.921 -1.066 683 HZ2 LYS 99 2HZ LYS 99 -18.005 -6.324 -0.983 684 HZ3 LYS 99 3HZ LYS 99 -17.717 -7.194 0.439 685 H VAL 100 H VAL 100 -10.249 -8.389 -0.072 686 HA VAL 100 HA VAL 100 -10.015 -7.940 -2.967 687 HB VAL 100 HB VAL 100 -8.494 -9.769 -1.112 688 HG11 VAL 100 1HG1 VAL 100 -8.750 -11.050 -3.072 689 HG12 VAL 100 2HG1 VAL 100 -8.525 -9.645 -4.116 690 HG13 VAL 100 3HG1 VAL 100 -7.161 -10.298 -3.209 691 HG21 VAL 100 1HG2 VAL 100 -6.791 -8.185 -2.678 692 HG22 VAL 100 2HG2 VAL 100 -8.074 -7.113 -2.120 693 HG23 VAL 100 3HG2 VAL 100 -7.120 -8.029 -0.953 694 H GLU 101 H GLU 101 -11.033 -9.214 -4.398 695 HA GLU 101 HA GLU 101 -12.779 -11.307 -3.340 696 HB2 GLU 101 1HB GLU 101 -12.756 -9.633 -5.812 697 HB3 GLU 101 2HB GLU 101 -13.557 -11.197 -5.867 698 HG2 GLU 101 1HG GLU 101 -14.849 -10.454 -3.822 699 HG3 GLU 101 2HG GLU 101 -14.210 -8.840 -4.129 700 HA PRO 102 HA PRO 102 -10.501 -14.684 -4.968 701 HB2 PRO 102 1HB PRO 102 -12.475 -16.340 -5.824 702 HB3 PRO 102 2HB PRO 102 -12.129 -16.061 -4.113 703 HG2 PRO 102 1HG PRO 102 -14.250 -14.844 -5.840 704 HG3 PRO 102 2HG PRO 102 -14.372 -15.451 -4.178 705 HD2 PRO 102 1HD PRO 102 -14.143 -12.815 -4.754 706 HD3 PRO 102 2HD PRO 102 -13.466 -13.533 -3.278 707 H ALA 103 H ALA 103 -9.699 -15.591 -6.861 708 HA ALA 103 HA ALA 103 -10.291 -14.118 -9.280 709 HB1 ALA 103 1HB ALA 103 -7.979 -15.018 -8.308 710 HB2 ALA 103 2HB ALA 103 -8.395 -16.392 -9.333 711 HB3 ALA 103 3HB ALA 103 -8.256 -14.780 -10.034 712 H VAL 104 H VAL 104 -12.497 -15.585 -8.547 713 HA VAL 104 HA VAL 104 -12.699 -18.157 -9.640 714 HB VAL 104 HB VAL 104 -15.153 -17.714 -9.748 715 HG11 VAL 104 1HG1 VAL 104 -13.444 -17.776 -7.473 716 HG12 VAL 104 2HG1 VAL 104 -14.823 -16.736 -7.112 717 HG13 VAL 104 3HG1 VAL 104 -15.085 -18.399 -7.638 718 HG21 VAL 104 1HG2 VAL 104 -14.243 -14.949 -9.008 719 HG22 VAL 104 2HG2 VAL 104 -15.311 -15.440 -10.322 720 HG23 VAL 104 3HG2 VAL 104 -15.871 -15.527 -8.652 721 H ASP 105 H ASP 105 -12.761 -18.877 -11.664 722 HA ASP 105 HA ASP 105 -12.544 -17.064 -13.867 723 HB2 ASP 105 1HB ASP 105 -11.581 -19.506 -13.523 724 HB3 ASP 105 2HB ASP 105 -13.103 -19.969 -14.279 725 H THR 106 H THR 106 -13.935 -17.204 -15.800 726 HA THR 106 HA THR 106 -16.759 -17.410 -15.003 727 HB THR 106 HB THR 106 -15.646 -15.913 -17.379 728 HG1 THR 106 1HG THR 106 -16.215 -14.070 -15.892 729 HG21 THR 106 1HG2 THR 106 -17.782 -14.932 -17.578 730 HG22 THR 106 2HG2 THR 106 -18.288 -15.520 -15.994 731 HG23 THR 106 3HG2 THR 106 -18.086 -16.652 -17.331 732 H SER 107 H SER 107 -14.758 -17.830 -17.931 733 HA SER 107 HA SER 107 -16.630 -19.370 -19.340 734 HB2 SER 107 1HB SER 107 -14.536 -18.214 -20.244 735 HB3 SER 107 2HB SER 107 -13.640 -19.620 -19.669 736 HG SER 107 HG SER 107 -15.903 -19.946 -21.311 737 H SER 108 H SER 108 -16.335 -21.667 -19.991 738 HA SER 108 HA SER 108 -15.581 -23.283 -17.647 739 HB2 SER 108 1HB SER 108 -18.028 -23.210 -18.532 740 HB3 SER 108 2HB SER 108 -17.421 -24.255 -19.816 741 HG SER 108 HG SER 108 -18.017 -24.862 -17.249 742 H GLY 109 H GLY 109 -15.878 -23.639 -21.191 743 HA2 GLY 109 1HA GLY 109 -14.134 -24.285 -22.644 744 HA3 GLY 109 2HA GLY 109 -13.205 -24.822 -21.253 745 HA PRO 110 HA PRO 110 -15.773 -28.290 -23.402 746 HB2 PRO 110 1HB PRO 110 -14.057 -29.110 -25.340 747 HB3 PRO 110 2HB PRO 110 -15.314 -27.899 -25.619 748 HG2 PRO 110 1HG PRO 110 -12.395 -27.510 -25.082 749 HG3 PRO 110 2HG PRO 110 -13.435 -26.687 -26.259 750 HD2 PRO 110 1HD PRO 110 -12.748 -25.569 -23.891 751 HD3 PRO 110 2HD PRO 110 -14.309 -25.257 -24.677 752 H SER 111 H SER 111 -14.672 -30.598 -23.981 753 HA SER 111 HA SER 111 -13.532 -31.492 -21.567 754 HB2 SER 111 1HB SER 111 -13.520 -32.910 -24.241 755 HB3 SER 111 2HB SER 111 -13.336 -33.657 -22.654 756 HG SER 111 HG SER 111 -15.608 -32.105 -23.068 757 H SER 112 H SER 112 -11.626 -30.517 -21.036 758 HA SER 112 HA SER 112 -9.443 -29.813 -21.219 759 HB2 SER 112 1HB SER 112 -7.913 -31.653 -21.405 760 HB3 SER 112 2HB SER 112 -9.369 -32.262 -20.617 761 HG SER 112 HG SER 112 -8.712 -33.685 -22.243 762 H GLY 113 H GLY 113 -10.759 -28.786 -23.355 763 HA2 GLY 113 1HA GLY 113 -9.206 -29.450 -25.748 764 HA3 GLY 113 2HA GLY 113 -10.638 -28.433 -25.693 Start of MODEL 6 1 H1 GLY 1 H GLY 1 26.007 11.786 -7.608 2 HA2 GLY 1 1HA GLY 1 23.896 12.749 -7.529 3 HA3 GLY 1 2HA GLY 1 23.749 11.652 -6.164 4 H SER 2 H SER 2 23.653 14.860 -7.158 5 HA SER 2 HA SER 2 24.167 15.912 -4.476 6 HB2 SER 2 1HB SER 2 25.103 16.976 -6.626 7 HB3 SER 2 2HB SER 2 23.461 17.558 -6.899 8 HG SER 2 HG SER 2 24.881 18.014 -4.492 9 H SER 3 H SER 3 22.466 15.740 -3.163 10 HA SER 3 HA SER 3 19.761 15.983 -4.196 11 HB2 SER 3 1HB SER 3 19.070 15.367 -1.911 12 HB3 SER 3 2HB SER 3 20.247 14.223 -2.556 13 HG SER 3 HG SER 3 20.597 16.216 -0.596 14 H GLY 4 H GLY 4 21.828 17.617 -1.805 15 HA2 GLY 4 1HA GLY 4 21.877 19.855 -1.219 16 HA3 GLY 4 2HA GLY 4 20.624 20.157 -2.414 17 H SER 5 H SER 5 20.020 21.628 -0.525 18 HA SER 5 HA SER 5 18.229 20.149 1.290 19 HB2 SER 5 1HB SER 5 19.988 22.530 1.786 20 HB3 SER 5 2HB SER 5 18.527 22.299 2.746 21 HG SER 5 HG SER 5 20.238 20.118 2.440 22 H SER 6 H SER 6 16.285 20.331 0.334 23 HA SER 6 HA SER 6 15.430 22.991 -0.588 24 HB2 SER 6 1HB SER 6 13.644 21.725 -1.822 25 HB3 SER 6 2HB SER 6 15.285 21.354 -2.349 26 HG SER 6 HG SER 6 14.665 19.370 -2.005 27 H GLY 7 H GLY 7 14.129 20.096 1.045 28 HA2 GLY 7 1HA GLY 7 12.719 21.830 2.920 29 HA3 GLY 7 2HA GLY 7 11.722 20.788 1.917 30 HA PRO 8 HA PRO 8 13.488 18.619 5.801 31 HB2 PRO 8 1HB PRO 8 11.351 18.857 7.458 32 HB3 PRO 8 2HB PRO 8 12.672 20.030 7.421 33 HG2 PRO 8 1HG PRO 8 9.977 20.170 6.125 34 HG3 PRO 8 2HG PRO 8 10.869 21.435 6.990 35 HD2 PRO 8 1HD PRO 8 10.784 21.300 4.287 36 HD3 PRO 8 2HD PRO 8 12.195 21.920 5.168 37 H PHE 9 H PHE 9 12.739 16.568 6.606 38 HA PHE 9 HA PHE 9 11.189 15.130 4.673 39 HB2 PHE 9 1HB PHE 9 12.868 13.785 5.495 40 HB3 PHE 9 2HB PHE 9 12.734 14.433 7.126 41 HD1 PHE 9 2HD PHE 9 10.961 13.632 8.634 42 HD2 PHE 9 1HD PHE 9 11.605 11.896 4.802 43 HE1 PHE 9 2HE PHE 9 9.640 11.669 9.306 44 HE2 PHE 9 1HE PHE 9 10.284 9.929 5.467 45 HZ PHE 9 HZ PHE 9 9.301 9.813 7.722 46 H ASP 10 H ASP 10 9.167 14.261 4.864 47 HA ASP 10 HA ASP 10 7.693 14.275 7.312 48 HB2 ASP 10 1HB ASP 10 7.694 16.719 6.320 49 HB3 ASP 10 2HB ASP 10 6.465 16.055 5.247 50 HA PRO 11 HA PRO 11 6.025 11.003 4.772 51 HB2 PRO 11 1HB PRO 11 4.525 9.886 6.741 52 HB3 PRO 11 2HB PRO 11 6.272 9.650 6.613 53 HG2 PRO 11 1HG PRO 11 4.738 11.532 8.365 54 HG3 PRO 11 2HG PRO 11 6.137 10.518 8.766 55 HD2 PRO 11 1HD PRO 11 6.359 13.165 8.238 56 HD3 PRO 11 2HD PRO 11 7.637 12.000 7.835 57 H SER 12 H SER 12 4.238 13.355 6.635 58 HA SER 12 HA SER 12 1.646 12.657 5.700 59 HB2 SER 12 1HB SER 12 2.842 14.976 7.147 60 HB3 SER 12 2HB SER 12 1.266 15.198 6.387 61 HG SER 12 HG SER 12 1.909 13.860 8.651 62 H LYS 13 H LYS 13 4.276 14.380 4.327 63 HA LYS 13 HA LYS 13 2.714 15.902 2.450 64 HB2 LYS 13 1HB LYS 13 5.676 15.291 2.459 65 HB3 LYS 13 2HB LYS 13 4.876 16.498 1.460 66 HG2 LYS 13 1HG LYS 13 4.713 16.602 4.449 67 HG3 LYS 13 2HG LYS 13 6.091 17.276 3.575 68 HD2 LYS 13 1HD LYS 13 4.818 18.925 2.577 69 HD3 LYS 13 2HD LYS 13 3.316 18.014 2.748 70 HE2 LYS 13 1HE LYS 13 3.786 18.331 5.309 71 HE3 LYS 13 2HE LYS 13 4.773 19.681 4.749 72 HZ1 LYS 13 1HZ LYS 13 2.066 19.702 5.172 73 HZ2 LYS 13 2HZ LYS 13 2.220 19.657 3.489 74 HZ3 LYS 13 3HZ LYS 13 2.967 20.890 4.373 75 H VAL 14 H VAL 14 3.625 12.683 2.677 76 HA VAL 14 HA VAL 14 3.951 12.177 -0.144 77 HB VAL 14 HB VAL 14 3.591 10.260 2.163 78 HG11 VAL 14 1HG1 VAL 14 3.145 9.705 -0.472 79 HG12 VAL 14 2HG1 VAL 14 4.850 9.288 -0.293 80 HG13 VAL 14 3HG1 VAL 14 3.642 8.527 0.743 81 HG21 VAL 14 1HG2 VAL 14 5.655 11.666 2.188 82 HG22 VAL 14 2HG2 VAL 14 5.961 9.934 2.068 83 HG23 VAL 14 3HG2 VAL 14 6.096 10.954 0.636 84 H VAL 15 H VAL 15 2.415 11.663 -1.573 85 HA VAL 15 HA VAL 15 -0.316 11.221 -0.556 86 HB VAL 15 HB VAL 15 0.579 12.421 -3.179 87 HG11 VAL 15 1HG1 VAL 15 -2.162 12.806 -2.871 88 HG12 VAL 15 2HG1 VAL 15 -1.363 11.726 -4.015 89 HG13 VAL 15 3HG1 VAL 15 -1.890 11.117 -2.445 90 HG21 VAL 15 1HG2 VAL 15 0.225 14.445 -2.287 91 HG22 VAL 15 2HG2 VAL 15 -1.239 13.924 -1.453 92 HG23 VAL 15 3HG2 VAL 15 0.341 13.624 -0.731 93 H ALA 16 H ALA 16 -0.961 9.185 -0.718 94 HA ALA 16 HA ALA 16 -0.005 7.580 -2.999 95 HB1 ALA 16 1HB ALA 16 0.517 5.908 -1.625 96 HB2 ALA 16 2HB ALA 16 0.312 7.053 -0.299 97 HB3 ALA 16 3HB ALA 16 -1.030 6.017 -0.785 98 H SER 17 H SER 17 -1.472 6.584 -4.271 99 HA SER 17 HA SER 17 -4.205 6.205 -3.418 100 HB2 SER 17 1HB SER 17 -5.205 7.550 -5.207 101 HB3 SER 17 2HB SER 17 -4.228 8.563 -4.144 102 HG SER 17 HG SER 17 -2.530 7.915 -5.891 103 H GLY 18 H GLY 18 -5.527 5.437 -5.473 104 HA2 GLY 18 1HA GLY 18 -4.910 4.372 -7.736 105 HA3 GLY 18 2HA GLY 18 -3.836 3.393 -6.749 106 HA PRO 19 HA PRO 19 -8.184 1.532 -7.096 107 HB2 PRO 19 1HB PRO 19 -7.543 -0.584 -8.672 108 HB3 PRO 19 2HB PRO 19 -8.064 0.976 -9.322 109 HG2 PRO 19 1HG PRO 19 -5.296 -0.127 -9.032 110 HG3 PRO 19 2HG PRO 19 -6.012 0.753 -10.394 111 HD2 PRO 19 1HD PRO 19 -4.387 1.942 -8.584 112 HD3 PRO 19 2HD PRO 19 -5.714 2.805 -9.387 113 H GLY 20 H GLY 20 -4.952 0.195 -6.674 114 HA2 GLY 20 1HA GLY 20 -5.651 -2.237 -5.457 115 HA3 GLY 20 2HA GLY 20 -4.128 -1.389 -5.233 116 H LEU 21 H LEU 21 -5.425 1.007 -4.153 117 HA LEU 21 HA LEU 21 -5.602 0.115 -1.414 118 HB2 LEU 21 1HB LEU 21 -5.420 2.731 -2.810 119 HB3 LEU 21 2HB LEU 21 -6.092 2.708 -1.181 120 HG LEU 21 HG LEU 21 -3.457 1.399 -1.673 121 HD11 LEU 21 1HD1 LEU 21 -2.244 3.399 -1.552 122 HD12 LEU 21 2HD1 LEU 21 -3.669 4.341 -1.116 123 HD13 LEU 21 3HD1 LEU 21 -3.499 3.708 -2.753 124 HD21 LEU 21 1HD2 LEU 21 -4.907 1.511 0.516 125 HD22 LEU 21 2HD2 LEU 21 -4.169 3.107 0.660 126 HD23 LEU 21 3HD2 LEU 21 -3.152 1.668 0.580 127 H GLU 22 H GLU 22 -7.779 0.153 -3.828 128 HA GLU 22 HA GLU 22 -10.020 0.877 -2.058 129 HB2 GLU 22 1HB GLU 22 -10.120 0.671 -5.067 130 HB3 GLU 22 2HB GLU 22 -11.328 1.370 -3.998 131 HG2 GLU 22 1HG GLU 22 -9.465 3.024 -3.342 132 HG3 GLU 22 2HG GLU 22 -8.675 2.474 -4.819 133 H HIS 23 H HIS 23 -8.761 -1.535 -4.288 134 HA HIS 23 HA HIS 23 -10.082 -3.657 -2.948 135 HB2 HIS 23 1HB HIS 23 -11.675 -4.348 -4.573 136 HB3 HIS 23 2HB HIS 23 -11.967 -2.633 -4.300 137 HD1 HIS 23 1HD HIS 23 -11.864 -4.912 -6.959 138 HD2 HIS 23 2HD HIS 23 -10.312 -1.098 -6.406 139 HE1 HIS 23 1HE HIS 23 -11.450 -4.013 -9.271 140 HE2 HIS 23 2HE HIS 23 -10.431 -1.738 -8.910 141 H GLY 24 H GLY 24 -9.759 -5.775 -4.137 142 HA2 GLY 24 1HA GLY 24 -7.681 -5.759 -6.165 143 HA3 GLY 24 2HA GLY 24 -7.189 -6.385 -4.598 144 H LYS 25 H LYS 25 -7.016 -8.008 -6.767 145 HA LYS 25 HA LYS 25 -9.131 -9.972 -6.215 146 HB2 LYS 25 1HB LYS 25 -9.321 -8.689 -8.472 147 HB3 LYS 25 2HB LYS 25 -7.971 -9.699 -8.971 148 HG2 LYS 25 1HG LYS 25 -9.349 -11.694 -8.351 149 HG3 LYS 25 2HG LYS 25 -10.710 -10.595 -8.112 150 HD2 LYS 25 1HD LYS 25 -10.178 -9.787 -10.508 151 HD3 LYS 25 2HD LYS 25 -9.263 -11.291 -10.644 152 HE2 LYS 25 1HE LYS 25 -11.398 -12.439 -9.814 153 HE3 LYS 25 2HE LYS 25 -12.207 -10.916 -10.181 154 HZ1 LYS 25 1HZ LYS 25 -12.168 -11.354 -12.348 155 HZ2 LYS 25 2HZ LYS 25 -11.766 -12.944 -11.934 156 HZ3 LYS 25 3HZ LYS 25 -10.547 -11.838 -12.327 157 H VAL 26 H VAL 26 -8.440 -12.023 -5.919 158 HA VAL 26 HA VAL 26 -5.826 -12.607 -5.271 159 HB VAL 26 HB VAL 26 -7.964 -14.498 -6.256 160 HG11 VAL 26 1HG1 VAL 26 -6.658 -16.277 -5.207 161 HG12 VAL 26 2HG1 VAL 26 -5.748 -15.498 -6.503 162 HG13 VAL 26 3HG1 VAL 26 -5.386 -15.120 -4.818 163 HG21 VAL 26 1HG2 VAL 26 -7.058 -13.943 -3.438 164 HG22 VAL 26 2HG2 VAL 26 -8.439 -13.149 -4.196 165 HG23 VAL 26 3HG2 VAL 26 -8.449 -14.896 -3.955 166 H GLY 27 H GLY 27 -4.101 -12.410 -6.548 167 HA2 GLY 27 1HA GLY 27 -2.738 -13.465 -8.232 168 HA3 GLY 27 2HA GLY 27 -4.193 -13.723 -9.184 169 H GLU 28 H GLU 28 -5.097 -10.934 -8.560 170 HA GLU 28 HA GLU 28 -3.912 -9.689 -10.840 171 HB2 GLU 28 1HB GLU 28 -6.022 -8.969 -8.863 172 HB3 GLU 28 2HB GLU 28 -5.292 -7.670 -9.795 173 HG2 GLU 28 1HG GLU 28 -6.365 -10.108 -11.153 174 HG3 GLU 28 2HG GLU 28 -7.434 -8.791 -10.673 175 H ALA 29 H ALA 29 -3.481 -7.132 -10.394 176 HA ALA 29 HA ALA 29 -1.464 -6.992 -8.251 177 HB1 ALA 29 1HB ALA 29 -0.897 -5.382 -10.635 178 HB2 ALA 29 2HB ALA 29 0.178 -6.374 -9.649 179 HB3 ALA 29 3HB ALA 29 -0.825 -7.126 -10.889 180 H GLY 30 H GLY 30 -1.943 -5.450 -6.839 181 HA2 GLY 30 1HA GLY 30 -3.929 -3.459 -7.393 182 HA3 GLY 30 2HA GLY 30 -2.997 -3.618 -5.911 183 H LEU 31 H LEU 31 -3.401 -1.895 -8.814 184 HA LEU 31 HA LEU 31 -0.812 -0.789 -9.093 185 HB2 LEU 31 1HB LEU 31 -3.491 0.313 -9.929 186 HB3 LEU 31 2HB LEU 31 -1.928 0.931 -10.459 187 HG LEU 31 HG LEU 31 -3.041 -1.807 -11.068 188 HD11 LEU 31 1HD1 LEU 31 -2.698 -0.560 -13.445 189 HD12 LEU 31 2HD1 LEU 31 -3.192 0.792 -12.427 190 HD13 LEU 31 3HD1 LEU 31 -4.227 -0.629 -12.567 191 HD21 LEU 31 1HD2 LEU 31 -0.868 -1.001 -12.733 192 HD22 LEU 31 2HD2 LEU 31 -0.993 -2.405 -11.673 193 HD23 LEU 31 3HD2 LEU 31 -0.377 -0.876 -11.043 194 H LEU 32 H LEU 32 0.201 0.701 -7.926 195 HA LEU 32 HA LEU 32 -1.371 2.632 -6.379 196 HB2 LEU 32 1HB LEU 32 0.962 1.085 -5.262 197 HB3 LEU 32 2HB LEU 32 0.030 2.324 -4.424 198 HG LEU 32 HG LEU 32 -0.977 -0.390 -5.280 199 HD11 LEU 32 1HD1 LEU 32 0.170 0.691 -2.783 200 HD12 LEU 32 2HD1 LEU 32 0.177 -0.953 -3.422 201 HD13 LEU 32 3HD1 LEU 32 -1.262 -0.325 -2.618 202 HD21 LEU 32 1HD2 LEU 32 -3.004 0.518 -5.174 203 HD22 LEU 32 2HD2 LEU 32 -2.357 2.052 -4.592 204 HD23 LEU 32 3HD2 LEU 32 -2.729 0.761 -3.449 205 H SER 33 H SER 33 -0.588 4.654 -6.452 206 HA SER 33 HA SER 33 2.148 5.039 -7.473 207 HB2 SER 33 1HB SER 33 -0.425 6.267 -8.371 208 HB3 SER 33 2HB SER 33 1.043 7.241 -8.440 209 HG SER 33 HG SER 33 0.291 5.056 -9.952 210 H VAL 34 H VAL 34 3.405 6.232 -6.206 211 HA VAL 34 HA VAL 34 2.123 7.921 -4.159 212 HB VAL 34 HB VAL 34 4.818 6.557 -4.070 213 HG11 VAL 34 1HG1 VAL 34 5.376 7.762 -2.263 214 HG12 VAL 34 2HG1 VAL 34 4.170 8.909 -2.850 215 HG13 VAL 34 3HG1 VAL 34 3.737 7.728 -1.613 216 HG21 VAL 34 1HG2 VAL 34 3.745 4.816 -3.208 217 HG22 VAL 34 2HG2 VAL 34 3.131 5.839 -1.910 218 HG23 VAL 34 3HG2 VAL 34 2.204 5.652 -3.399 219 H ASP 35 H ASP 35 2.178 9.981 -4.780 220 HA ASP 35 HA ASP 35 4.399 10.982 -6.376 221 HB2 ASP 35 1HB ASP 35 1.669 11.974 -5.680 222 HB3 ASP 35 2HB ASP 35 2.898 13.152 -6.133 223 H CYS 36 H CYS 36 6.131 11.819 -5.441 224 HA CYS 36 HA CYS 36 5.905 12.872 -2.710 225 HB2 CYS 36 1HB CYS 36 8.268 12.494 -2.486 226 HB3 CYS 36 2HB CYS 36 7.550 11.038 -3.164 227 HG CYS 36 HG CYS 36 10.157 12.419 -4.221 228 H SER 37 H SER 37 6.224 14.967 -2.273 229 HA SER 37 HA SER 37 7.293 16.680 -4.419 230 HB2 SER 37 1HB SER 37 4.720 16.758 -3.820 231 HB3 SER 37 2HB SER 37 5.285 17.759 -2.482 232 HG SER 37 HG SER 37 5.769 18.213 -5.243 233 H GLU 38 H GLU 38 6.392 17.007 -0.982 234 HA GLU 38 HA GLU 38 9.061 18.161 -0.500 235 HB2 GLU 38 1HB GLU 38 6.356 18.980 0.490 236 HB3 GLU 38 2HB GLU 38 7.772 19.293 1.484 237 HG2 GLU 38 1HG GLU 38 7.555 20.186 -1.374 238 HG3 GLU 38 2HG GLU 38 7.023 21.171 -0.013 239 H ALA 39 H ALA 39 7.800 15.375 -0.216 240 HA ALA 39 HA ALA 39 7.643 14.748 2.528 241 HB1 ALA 39 1HB ALA 39 7.424 12.557 1.880 242 HB2 ALA 39 2HB ALA 39 6.946 13.390 0.400 243 HB3 ALA 39 3HB ALA 39 8.571 12.720 0.550 244 H GLY 40 H GLY 40 10.287 15.639 0.647 245 HA2 GLY 40 1HA GLY 40 12.525 15.791 1.150 246 HA3 GLY 40 2HA GLY 40 12.123 15.276 2.782 247 HA PRO 41 HA PRO 41 14.683 11.926 0.935 248 HB2 PRO 41 1HB PRO 41 16.065 11.428 3.218 249 HB3 PRO 41 2HB PRO 41 16.532 12.685 2.067 250 HG2 PRO 41 1HG PRO 41 15.018 12.939 4.637 251 HG3 PRO 41 2HG PRO 41 16.316 13.964 3.997 252 HD2 PRO 41 1HD PRO 41 13.702 14.652 3.834 253 HD3 PRO 41 2HD PRO 41 14.890 15.114 2.598 254 H GLY 42 H GLY 42 15.259 9.742 2.299 255 HA2 GLY 42 1HA GLY 42 14.338 8.178 3.918 256 HA3 GLY 42 2HA GLY 42 12.762 8.902 3.630 257 H ALA 43 H ALA 43 13.250 6.142 3.497 258 HA ALA 43 HA ALA 43 13.070 5.600 0.608 259 HB1 ALA 43 1HB ALA 43 14.893 4.405 1.619 260 HB2 ALA 43 2HB ALA 43 13.833 3.770 2.878 261 HB3 ALA 43 3HB ALA 43 13.621 3.255 1.204 262 H LEU 44 H LEU 44 11.312 4.567 -0.226 263 HA LEU 44 HA LEU 44 8.966 4.430 1.486 264 HB2 LEU 44 1HB LEU 44 8.648 5.533 -0.597 265 HB3 LEU 44 2HB LEU 44 9.369 4.193 -1.486 266 HG LEU 44 HG LEU 44 7.432 2.794 -0.939 267 HD11 LEU 44 1HD1 LEU 44 5.612 3.506 0.301 268 HD12 LEU 44 2HD1 LEU 44 6.031 5.211 0.131 269 HD13 LEU 44 3HD1 LEU 44 6.974 4.174 1.200 270 HD21 LEU 44 1HD2 LEU 44 5.735 4.118 -2.257 271 HD22 LEU 44 2HD2 LEU 44 7.311 3.912 -3.021 272 HD23 LEU 44 3HD2 LEU 44 6.895 5.446 -2.255 273 H GLY 45 H GLY 45 7.924 2.603 2.085 274 HA2 GLY 45 1HA GLY 45 8.623 0.058 0.841 275 HA3 GLY 45 2HA GLY 45 9.023 0.232 2.543 276 H LEU 46 H LEU 46 6.843 -1.102 0.585 277 HA LEU 46 HA LEU 46 4.582 -0.608 2.406 278 HB2 LEU 46 1HB LEU 46 4.114 0.031 0.115 279 HB3 LEU 46 2HB LEU 46 4.595 -1.567 -0.452 280 HG LEU 46 HG LEU 46 2.661 -2.480 0.912 281 HD11 LEU 46 1HD1 LEU 46 1.318 0.130 0.749 282 HD12 LEU 46 2HD1 LEU 46 2.551 -0.012 2.002 283 HD13 LEU 46 3HD1 LEU 46 1.196 -1.140 1.966 284 HD21 LEU 46 1HD2 LEU 46 1.124 -2.155 -0.847 285 HD22 LEU 46 2HD2 LEU 46 2.722 -2.088 -1.590 286 HD23 LEU 46 3HD2 LEU 46 1.830 -0.598 -1.281 287 H GLU 47 H GLU 47 3.210 -2.436 2.920 288 HA GLU 47 HA GLU 47 4.368 -5.082 2.515 289 HB2 GLU 47 1HB GLU 47 5.375 -4.229 4.607 290 HB3 GLU 47 2HB GLU 47 3.764 -3.988 5.268 291 HG2 GLU 47 1HG GLU 47 3.394 -6.464 4.910 292 HG3 GLU 47 2HG GLU 47 5.126 -6.578 4.602 293 H ALA 48 H ALA 48 2.714 -6.120 1.612 294 HA ALA 48 HA ALA 48 -0.011 -5.595 2.540 295 HB1 ALA 48 1HB ALA 48 -0.775 -6.320 0.507 296 HB2 ALA 48 2HB ALA 48 0.812 -5.701 0.046 297 HB3 ALA 48 3HB ALA 48 0.573 -7.433 0.272 298 H VAL 49 H VAL 49 -0.837 -6.859 4.059 299 HA VAL 49 HA VAL 49 -0.153 -9.720 4.046 300 HB VAL 49 HB VAL 49 -0.209 -7.888 6.440 301 HG11 VAL 49 1HG1 VAL 49 -1.188 -9.596 7.519 302 HG12 VAL 49 2HG1 VAL 49 -0.807 -10.753 6.242 303 HG13 VAL 49 3HG1 VAL 49 0.411 -10.336 7.448 304 HG21 VAL 49 1HG2 VAL 49 1.960 -9.812 6.161 305 HG22 VAL 49 2HG2 VAL 49 1.864 -8.679 4.813 306 HG23 VAL 49 3HG2 VAL 49 2.019 -8.075 6.463 307 H SER 50 H SER 50 -1.865 -11.029 4.115 308 HA SER 50 HA SER 50 -4.503 -9.967 4.086 309 HB2 SER 50 1HB SER 50 -3.762 -12.027 2.853 310 HB3 SER 50 2HB SER 50 -3.700 -12.867 4.403 311 HG SER 50 HG SER 50 -5.721 -13.268 3.934 312 H ASP 51 H ASP 51 -6.259 -10.760 5.515 313 HA ASP 51 HA ASP 51 -5.921 -10.008 8.137 314 HB2 ASP 51 1HB ASP 51 -8.049 -11.169 8.606 315 HB3 ASP 51 2HB ASP 51 -8.123 -10.235 7.114 316 H SER 52 H SER 52 -5.856 -13.312 6.828 317 HA SER 52 HA SER 52 -5.353 -14.570 9.316 318 HB2 SER 52 1HB SER 52 -6.269 -15.866 7.499 319 HB3 SER 52 2HB SER 52 -4.880 -15.500 6.475 320 HG SER 52 HG SER 52 -4.918 -17.612 7.603 321 H GLY 53 H GLY 53 -3.383 -12.730 7.255 322 HA2 GLY 53 1HA GLY 53 -1.222 -11.998 7.923 323 HA3 GLY 53 2HA GLY 53 -1.031 -13.486 8.837 324 H THR 54 H THR 54 -1.668 -12.576 5.446 325 HA THR 54 HA THR 54 0.398 -14.525 4.655 326 HB THR 54 HB THR 54 -1.967 -13.641 2.993 327 HG1 THR 54 1HG THR 54 -1.649 -16.219 4.104 328 HG21 THR 54 1HG2 THR 54 -1.318 -15.298 1.435 329 HG22 THR 54 2HG2 THR 54 -0.153 -16.004 2.555 330 HG23 THR 54 3HG2 THR 54 0.159 -14.424 1.838 331 H LYS 55 H LYS 55 2.197 -13.469 4.127 332 HA LYS 55 HA LYS 55 2.276 -10.760 3.301 333 HB2 LYS 55 1HB LYS 55 4.401 -12.896 3.035 334 HB3 LYS 55 2HB LYS 55 4.662 -11.162 2.892 335 HG2 LYS 55 1HG LYS 55 4.322 -10.800 5.167 336 HG3 LYS 55 2HG LYS 55 3.512 -12.352 5.388 337 HD2 LYS 55 1HD LYS 55 5.591 -12.775 6.298 338 HD3 LYS 55 2HD LYS 55 5.807 -13.340 4.640 339 HE2 LYS 55 1HE LYS 55 6.431 -10.497 5.248 340 HE3 LYS 55 2HE LYS 55 7.555 -11.731 5.814 341 HZ1 LYS 55 1HZ LYS 55 7.775 -12.537 3.561 342 HZ2 LYS 55 2HZ LYS 55 8.150 -10.889 3.619 343 HZ3 LYS 55 3HZ LYS 55 6.658 -11.395 3.003 344 H ALA 56 H ALA 56 1.578 -10.039 1.405 345 HA ALA 56 HA ALA 56 1.507 -11.774 -0.917 346 HB1 ALA 56 1HB ALA 56 -0.307 -10.565 -1.329 347 HB2 ALA 56 2HB ALA 56 0.102 -9.432 -0.040 348 HB3 ALA 56 3HB ALA 56 0.737 -9.184 -1.666 349 H GLU 57 H GLU 57 2.401 -11.145 -2.981 350 HA GLU 57 HA GLU 57 5.106 -10.274 -2.760 351 HB2 GLU 57 1HB GLU 57 3.919 -11.913 -4.470 352 HB3 GLU 57 2HB GLU 57 3.740 -10.437 -5.408 353 HG2 GLU 57 1HG GLU 57 6.258 -10.129 -5.034 354 HG3 GLU 57 2HG GLU 57 6.250 -11.827 -4.559 355 H VAL 58 H VAL 58 5.704 -8.228 -2.557 356 HA VAL 58 HA VAL 58 4.155 -6.158 -3.975 357 HB VAL 58 HB VAL 58 5.747 -5.850 -1.425 358 HG11 VAL 58 1HG1 VAL 58 5.024 -3.938 -3.359 359 HG12 VAL 58 2HG1 VAL 58 3.948 -3.695 -1.982 360 HG13 VAL 58 3HG1 VAL 58 5.696 -3.655 -1.753 361 HG21 VAL 58 1HG2 VAL 58 3.683 -5.662 -0.274 362 HG22 VAL 58 2HG2 VAL 58 2.766 -5.622 -1.779 363 HG23 VAL 58 3HG2 VAL 58 3.565 -7.110 -1.273 364 H SER 59 H SER 59 5.228 -4.676 -5.205 365 HA SER 59 HA SER 59 8.160 -4.768 -5.251 366 HB2 SER 59 1HB SER 59 7.417 -6.254 -7.046 367 HB3 SER 59 2HB SER 59 6.384 -4.981 -7.695 368 HG SER 59 HG SER 59 8.055 -4.247 -8.713 369 H ILE 60 H ILE 60 9.115 -2.827 -5.502 370 HA ILE 60 HA ILE 60 7.366 -0.531 -6.104 371 HB ILE 60 HB ILE 60 9.828 -0.476 -4.360 372 HG12 ILE 60 1HG1 ILE 60 7.029 -0.191 -3.324 373 HG13 ILE 60 2HG1 ILE 60 7.716 -1.795 -3.554 374 HG21 ILE 60 1HG2 ILE 60 8.282 1.680 -3.711 375 HG22 ILE 60 2HG2 ILE 60 9.659 1.710 -4.812 376 HG23 ILE 60 3HG2 ILE 60 8.023 1.548 -5.451 377 HD11 ILE 60 1HD1 ILE 60 8.820 0.387 -1.801 378 HD12 ILE 60 2HD1 ILE 60 8.001 -1.083 -1.271 379 HD13 ILE 60 3HD1 ILE 60 9.571 -1.186 -2.066 380 H GLN 61 H GLN 61 7.882 0.623 -7.839 381 HA GLN 61 HA GLN 61 10.524 0.213 -9.054 382 HB2 GLN 61 1HB GLN 61 8.191 -0.150 -10.250 383 HB3 GLN 61 2HB GLN 61 8.300 1.588 -10.494 384 HG2 GLN 61 1HG GLN 61 10.450 1.295 -11.618 385 HG3 GLN 61 2HG GLN 61 10.333 -0.448 -11.379 386 HE21 GLN 61 1HE2 GLN 61 8.015 2.024 -12.429 387 HE22 GLN 61 2HE2 GLN 61 7.594 1.244 -13.912 388 H ASN 62 H ASN 62 11.980 1.769 -8.855 389 HA ASN 62 HA ASN 62 11.192 4.392 -7.909 390 HB2 ASN 62 1HB ASN 62 13.994 3.530 -8.609 391 HB3 ASN 62 2HB ASN 62 13.486 4.773 -7.469 392 HD21 ASN 62 1HD2 ASN 62 13.210 4.244 -5.399 393 HD22 ASN 62 2HD2 ASN 62 13.290 2.637 -4.767 394 H ASN 63 H ASN 63 10.987 6.163 -9.121 395 HA ASN 63 HA ASN 63 11.915 6.039 -11.914 396 HB2 ASN 63 1HB ASN 63 9.482 7.306 -10.676 397 HB3 ASN 63 2HB ASN 63 10.090 7.841 -12.240 398 HD21 ASN 63 1HD2 ASN 63 8.087 5.700 -10.666 399 HD22 ASN 63 2HD2 ASN 63 7.810 4.591 -11.961 400 H LYS 64 H LYS 64 12.688 7.996 -12.873 401 HA LYS 64 HA LYS 64 14.071 9.693 -10.939 402 HB2 LYS 64 1HB LYS 64 14.416 9.253 -13.903 403 HB3 LYS 64 2HB LYS 64 15.275 10.512 -13.026 404 HG2 LYS 64 1HG LYS 64 16.222 8.752 -11.548 405 HG3 LYS 64 2HG LYS 64 15.467 7.541 -12.587 406 HD2 LYS 64 1HD LYS 64 16.744 8.403 -14.499 407 HD3 LYS 64 2HD LYS 64 17.511 9.592 -13.443 408 HE2 LYS 64 1HE LYS 64 18.180 7.497 -12.043 409 HE3 LYS 64 2HE LYS 64 17.868 6.625 -13.542 410 HZ1 LYS 64 1HZ LYS 64 20.227 7.573 -13.009 411 HZ2 LYS 64 2HZ LYS 64 19.579 9.004 -13.635 412 HZ3 LYS 64 3HZ LYS 64 19.624 7.608 -14.589 413 H ASP 65 H ASP 65 11.234 10.028 -11.344 414 HA ASP 65 HA ASP 65 11.208 12.738 -12.505 415 HB2 ASP 65 1HB ASP 65 9.140 10.558 -12.559 416 HB3 ASP 65 2HB ASP 65 8.668 12.246 -12.730 417 H GLY 66 H GLY 66 9.921 10.640 -9.959 418 HA2 GLY 66 1HA GLY 66 10.135 11.863 -7.716 419 HA3 GLY 66 2HA GLY 66 9.081 13.045 -8.477 420 H THR 67 H THR 67 8.775 9.600 -9.009 421 HA THR 67 HA THR 67 6.537 9.424 -7.146 422 HB THR 67 HB THR 67 5.020 8.498 -8.837 423 HG1 THR 67 1HG THR 67 7.266 8.890 -10.472 424 HG21 THR 67 1HG2 THR 67 6.099 11.229 -9.543 425 HG22 THR 67 2HG2 THR 67 4.854 10.873 -8.346 426 HG23 THR 67 3HG2 THR 67 4.539 10.588 -10.058 427 H TYR 68 H TYR 68 5.668 7.153 -7.051 428 HA TYR 68 HA TYR 68 7.719 5.161 -7.734 429 HB2 TYR 68 1HB TYR 68 6.344 5.468 -5.058 430 HB3 TYR 68 2HB TYR 68 7.330 4.084 -5.517 431 HD1 TYR 68 2HD TYR 68 7.449 7.763 -5.010 432 HD2 TYR 68 1HD TYR 68 9.660 4.135 -5.242 433 HE1 TYR 68 2HE TYR 68 9.459 8.944 -4.225 434 HE2 TYR 68 1HE TYR 68 11.675 5.305 -4.457 435 HH TYR 68 HH TYR 68 11.629 8.793 -3.784 436 H ALA 69 H ALA 69 6.959 3.253 -8.474 437 HA ALA 69 HA ALA 69 4.041 2.981 -8.680 438 HB1 ALA 69 1HB ALA 69 4.333 1.791 -10.659 439 HB2 ALA 69 2HB ALA 69 5.580 3.035 -10.742 440 HB3 ALA 69 3HB ALA 69 6.008 1.387 -10.283 441 H VAL 70 H VAL 70 3.471 1.945 -6.813 442 HA VAL 70 HA VAL 70 4.884 -0.514 -6.085 443 HB VAL 70 HB VAL 70 2.883 1.184 -4.607 444 HG11 VAL 70 1HG1 VAL 70 2.150 -0.764 -3.737 445 HG12 VAL 70 2HG1 VAL 70 3.599 -1.648 -4.218 446 HG13 VAL 70 3HG1 VAL 70 3.619 -0.642 -2.769 447 HG21 VAL 70 1HG2 VAL 70 5.783 0.836 -4.588 448 HG22 VAL 70 2HG2 VAL 70 4.798 2.174 -3.998 449 HG23 VAL 70 3HG2 VAL 70 5.047 0.751 -2.987 450 H THR 71 H THR 71 3.919 -2.504 -6.040 451 HA THR 71 HA THR 71 1.099 -2.729 -6.773 452 HB THR 71 HB THR 71 3.018 -4.497 -8.232 453 HG1 THR 71 1HG THR 71 2.403 -1.797 -8.858 454 HG21 THR 71 1HG2 THR 71 0.379 -3.306 -9.080 455 HG22 THR 71 2HG2 THR 71 0.531 -4.846 -8.233 456 HG23 THR 71 3HG2 THR 71 1.247 -4.644 -9.831 457 H TYR 72 H TYR 72 0.089 -4.486 -5.916 458 HA TYR 72 HA TYR 72 1.764 -6.457 -4.509 459 HB2 TYR 72 1HB TYR 72 0.439 -6.366 -2.576 460 HB3 TYR 72 2HB TYR 72 0.629 -4.676 -3.032 461 HD1 TYR 72 2HD TYR 72 -1.714 -7.542 -3.116 462 HD2 TYR 72 1HD TYR 72 -1.249 -3.335 -3.551 463 HE1 TYR 72 2HE TYR 72 -4.160 -7.280 -3.138 464 HE2 TYR 72 1HE TYR 72 -3.693 -3.061 -3.573 465 HH TYR 72 HH TYR 72 -5.687 -4.262 -2.811 466 H VAL 73 H VAL 73 1.272 -8.523 -4.899 467 HA VAL 73 HA VAL 73 -1.212 -9.087 -6.377 468 HB VAL 73 HB VAL 73 1.407 -10.592 -6.370 469 HG11 VAL 73 1HG1 VAL 73 0.205 -11.854 -8.273 470 HG12 VAL 73 2HG1 VAL 73 -0.176 -12.280 -6.603 471 HG13 VAL 73 3HG1 VAL 73 -1.276 -11.255 -7.526 472 HG21 VAL 73 1HG2 VAL 73 0.030 -9.199 -8.658 473 HG22 VAL 73 2HG2 VAL 73 1.275 -8.439 -7.665 474 HG23 VAL 73 3HG2 VAL 73 1.661 -9.869 -8.623 475 HA PRO 74 HA PRO 74 -2.139 -11.125 -2.434 476 HB2 PRO 74 1HB PRO 74 -4.813 -11.243 -2.887 477 HB3 PRO 74 2HB PRO 74 -4.004 -9.792 -2.282 478 HG2 PRO 74 1HG PRO 74 -4.867 -10.455 -5.071 479 HG3 PRO 74 2HG PRO 74 -5.018 -8.925 -4.186 480 HD2 PRO 74 1HD PRO 74 -3.070 -9.364 -6.016 481 HD3 PRO 74 2HD PRO 74 -2.830 -8.328 -4.594 482 H LEU 75 H LEU 75 -2.077 -13.259 -2.108 483 HA LEU 75 HA LEU 75 -2.558 -15.048 -4.354 484 HB2 LEU 75 1HB LEU 75 -1.418 -15.522 -1.605 485 HB3 LEU 75 2HB LEU 75 -1.608 -16.774 -2.831 486 HG LEU 75 HG LEU 75 0.068 -14.320 -3.291 487 HD11 LEU 75 1HD1 LEU 75 2.014 -15.657 -2.675 488 HD12 LEU 75 2HD1 LEU 75 0.957 -16.978 -2.181 489 HD13 LEU 75 3HD1 LEU 75 0.923 -15.448 -1.305 490 HD21 LEU 75 1HD2 LEU 75 0.036 -17.058 -4.557 491 HD22 LEU 75 2HD2 LEU 75 1.120 -15.733 -4.983 492 HD23 LEU 75 3HD2 LEU 75 -0.615 -15.580 -5.267 493 H THR 76 H THR 76 -4.039 -14.065 -1.397 494 HA THR 76 HA THR 76 -6.247 -15.921 -1.914 495 HB THR 76 HB THR 76 -4.934 -16.980 -0.147 496 HG1 THR 76 1HG THR 76 -7.405 -16.698 -0.104 497 HG21 THR 76 1HG2 THR 76 -4.158 -15.941 1.725 498 HG22 THR 76 2HG2 THR 76 -5.514 -14.815 1.795 499 HG23 THR 76 3HG2 THR 76 -4.196 -14.540 0.655 500 H ALA 77 H ALA 77 -8.160 -14.931 -1.881 501 HA ALA 77 HA ALA 77 -8.418 -12.163 -1.505 502 HB1 ALA 77 1HB ALA 77 -10.178 -14.396 -2.144 503 HB2 ALA 77 2HB ALA 77 -10.978 -13.115 -1.232 504 HB3 ALA 77 3HB ALA 77 -10.175 -12.743 -2.757 505 H GLY 78 H GLY 78 -9.973 -11.127 0.042 506 HA2 GLY 78 1HA GLY 78 -11.105 -11.593 2.264 507 HA3 GLY 78 2HA GLY 78 -9.547 -12.257 2.735 508 H MET 79 H MET 79 -10.137 -10.519 4.447 509 HA MET 79 HA MET 79 -9.741 -7.787 3.751 510 HB2 MET 79 1HB MET 79 -10.009 -9.340 6.273 511 HB3 MET 79 2HB MET 79 -9.255 -7.755 6.379 512 HG2 MET 79 1HG MET 79 -11.817 -7.986 4.901 513 HG3 MET 79 2HG MET 79 -11.853 -8.090 6.660 514 HE1 MET 79 1HE MET 79 -10.609 -4.447 4.148 515 HE2 MET 79 2HE MET 79 -9.547 -5.854 4.218 516 HE3 MET 79 3HE MET 79 -11.168 -6.005 3.539 517 H TYR 80 H TYR 80 -7.893 -6.834 3.239 518 HA TYR 80 HA TYR 80 -5.374 -8.073 4.113 519 HB2 TYR 80 1HB TYR 80 -6.190 -6.554 1.686 520 HB3 TYR 80 2HB TYR 80 -4.532 -6.363 2.245 521 HD1 TYR 80 1HD TYR 80 -2.985 -8.259 2.224 522 HD2 TYR 80 2HD TYR 80 -6.957 -8.643 0.750 523 HE1 TYR 80 1HE TYR 80 -2.360 -10.359 1.106 524 HE2 TYR 80 2HE TYR 80 -6.344 -10.744 -0.372 525 HH TYR 80 HH TYR 80 -4.287 -12.597 0.189 526 H THR 81 H THR 81 -3.627 -6.697 4.776 527 HA THR 81 HA THR 81 -4.523 -4.109 5.869 528 HB THR 81 HB THR 81 -2.601 -6.056 7.160 529 HG1 THR 81 1HG THR 81 -5.073 -5.185 8.226 530 HG21 THR 81 1HG2 THR 81 -1.788 -4.100 7.990 531 HG22 THR 81 2HG2 THR 81 -3.156 -4.283 9.088 532 HG23 THR 81 3HG2 THR 81 -3.287 -3.223 7.686 533 H LEU 82 H LEU 82 -3.667 -2.921 4.156 534 HA LEU 82 HA LEU 82 -0.979 -3.240 3.253 535 HB2 LEU 82 1HB LEU 82 -2.636 -0.760 2.919 536 HB3 LEU 82 2HB LEU 82 -1.372 -1.386 1.862 537 HG LEU 82 HG LEU 82 -4.057 -2.702 2.258 538 HD11 LEU 82 1HD1 LEU 82 -3.128 -0.599 0.367 539 HD12 LEU 82 2HD1 LEU 82 -4.692 -0.799 1.155 540 HD13 LEU 82 3HD1 LEU 82 -4.254 -1.829 -0.208 541 HD21 LEU 82 1HD2 LEU 82 -2.703 -4.381 1.477 542 HD22 LEU 82 2HD2 LEU 82 -1.644 -3.273 0.604 543 HD23 LEU 82 3HD2 LEU 82 -3.239 -3.663 -0.042 544 H THR 83 H THR 83 0.829 -2.501 4.138 545 HA THR 83 HA THR 83 0.641 -0.296 6.087 546 HB THR 83 HB THR 83 2.692 -2.507 6.204 547 HG1 THR 83 1HG THR 83 0.262 -2.981 6.592 548 HG21 THR 83 1HG2 THR 83 1.774 -0.665 8.401 549 HG22 THR 83 2HG2 THR 83 3.098 -0.249 7.312 550 HG23 THR 83 3HG2 THR 83 3.222 -1.670 8.347 551 H MET 84 H MET 84 1.470 1.461 5.156 552 HA MET 84 HA MET 84 3.961 1.169 3.608 553 HB2 MET 84 1HB MET 84 1.972 1.899 2.281 554 HB3 MET 84 2HB MET 84 1.876 3.334 3.293 555 HG2 MET 84 1HG MET 84 4.071 4.040 2.537 556 HG3 MET 84 2HG MET 84 4.219 2.580 1.562 557 HE1 MET 84 1HE MET 84 2.508 3.175 -1.577 558 HE2 MET 84 2HE MET 84 3.338 2.098 -0.454 559 HE3 MET 84 3HE MET 84 1.586 2.281 -0.369 560 H LYS 85 H LYS 85 5.687 2.023 4.544 561 HA LYS 85 HA LYS 85 5.320 4.320 6.354 562 HB2 LYS 85 1HB LYS 85 6.795 1.772 6.740 563 HB3 LYS 85 2HB LYS 85 7.569 3.232 7.342 564 HG2 LYS 85 1HG LYS 85 5.337 3.703 8.509 565 HG3 LYS 85 2HG LYS 85 4.964 2.010 8.173 566 HD2 LYS 85 1HD LYS 85 7.592 2.625 9.413 567 HD3 LYS 85 2HD LYS 85 6.153 2.784 10.423 568 HE2 LYS 85 1HE LYS 85 6.446 0.326 8.777 569 HE3 LYS 85 2HE LYS 85 7.469 0.494 10.203 570 HZ1 LYS 85 1HZ LYS 85 5.763 -0.169 11.420 571 HZ2 LYS 85 2HZ LYS 85 4.751 -0.226 10.066 572 HZ3 LYS 85 3HZ LYS 85 4.891 1.205 10.957 573 H TYR 86 H TYR 86 6.285 6.082 5.614 574 HA TYR 86 HA TYR 86 8.490 5.805 3.702 575 HB2 TYR 86 1HB TYR 86 6.407 7.202 3.198 576 HB3 TYR 86 2HB TYR 86 7.024 8.352 4.379 577 HD1 TYR 86 1HD TYR 86 9.030 9.659 3.914 578 HD2 TYR 86 2HD TYR 86 7.482 6.925 1.045 579 HE1 TYR 86 1HE TYR 86 10.429 10.698 2.178 580 HE2 TYR 86 2HE TYR 86 8.878 7.954 -0.698 581 HH TYR 86 HH TYR 86 10.090 10.762 -0.663 582 H GLY 87 H GLY 87 10.433 5.784 4.631 583 HA2 GLY 87 1HA GLY 87 12.265 6.561 5.790 584 HA3 GLY 87 2HA GLY 87 11.363 8.035 6.112 585 H GLY 88 H GLY 88 10.154 4.881 7.015 586 HA2 GLY 88 1HA GLY 88 10.172 3.811 9.095 587 HA3 GLY 88 2HA GLY 88 11.078 5.163 9.757 588 H GLU 89 H GLU 89 8.703 6.652 8.168 589 HA GLU 89 HA GLU 89 6.911 6.613 10.507 590 HB2 GLU 89 1HB GLU 89 7.294 8.893 8.563 591 HB3 GLU 89 2HB GLU 89 6.390 8.922 10.071 592 HG2 GLU 89 1HG GLU 89 8.746 8.233 11.063 593 HG3 GLU 89 2HG GLU 89 9.312 9.045 9.604 594 H LEU 90 H LEU 90 4.892 5.951 10.192 595 HA LEU 90 HA LEU 90 3.981 4.958 7.735 596 HB2 LEU 90 1HB LEU 90 2.791 5.474 10.396 597 HB3 LEU 90 2HB LEU 90 1.673 5.276 9.048 598 HG LEU 90 HG LEU 90 3.784 3.239 9.725 599 HD11 LEU 90 1HD1 LEU 90 2.373 2.133 11.152 600 HD12 LEU 90 2HD1 LEU 90 0.925 2.882 10.480 601 HD13 LEU 90 3HD1 LEU 90 1.984 3.809 11.542 602 HD21 LEU 90 1HD2 LEU 90 2.974 2.068 8.010 603 HD22 LEU 90 2HD2 LEU 90 2.170 3.555 7.508 604 HD23 LEU 90 3HD2 LEU 90 1.303 2.371 8.487 605 H VAL 91 H VAL 91 2.270 5.683 6.374 606 HA VAL 91 HA VAL 91 2.225 8.591 6.096 607 HB VAL 91 HB VAL 91 0.865 7.798 3.941 608 HG11 VAL 91 1HG1 VAL 91 2.836 9.105 3.763 609 HG12 VAL 91 2HG1 VAL 91 3.848 7.780 4.341 610 HG13 VAL 91 3HG1 VAL 91 3.083 7.680 2.754 611 HG21 VAL 91 1HG2 VAL 91 1.434 5.685 3.128 612 HG22 VAL 91 2HG2 VAL 91 2.745 5.487 4.290 613 HG23 VAL 91 3HG2 VAL 91 1.068 5.395 4.829 614 HA PRO 92 HA PRO 92 -1.923 9.178 7.398 615 HB2 PRO 92 1HB PRO 92 -2.857 10.979 5.594 616 HB3 PRO 92 2HB PRO 92 -1.684 11.396 6.849 617 HG2 PRO 92 1HG PRO 92 -1.224 10.766 3.958 618 HG3 PRO 92 2HG PRO 92 -0.499 12.042 4.955 619 HD2 PRO 92 1HD PRO 92 0.793 9.733 4.379 620 HD3 PRO 92 2HD PRO 92 1.029 10.603 5.908 621 H HIS 93 H HIS 93 -1.226 7.454 4.691 622 HA HIS 93 HA HIS 93 -4.066 6.994 4.050 623 HB2 HIS 93 1HB HIS 93 -1.703 6.364 2.276 624 HB3 HIS 93 2HB HIS 93 -3.409 6.317 1.839 625 HD1 HIS 93 1HD HIS 93 -4.286 8.355 0.736 626 HD2 HIS 93 2HD HIS 93 -0.821 9.127 2.894 627 HE1 HIS 93 1HE HIS 93 -3.715 10.756 0.254 628 HE2 HIS 93 2HE HIS 93 -1.568 11.175 1.503 629 H PHE 94 H PHE 94 -1.599 5.743 5.775 630 HA PHE 94 HA PHE 94 -2.688 3.032 5.558 631 HB2 PHE 94 1HB PHE 94 0.259 3.715 5.559 632 HB3 PHE 94 2HB PHE 94 -0.393 2.089 5.737 633 HD1 PHE 94 2HD PHE 94 -0.419 5.003 3.426 634 HD2 PHE 94 1HD PHE 94 -0.749 0.782 3.864 635 HE1 PHE 94 2HE PHE 94 -0.451 4.755 0.978 636 HE2 PHE 94 1HE PHE 94 -0.780 0.527 1.417 637 HZ PHE 94 HZ PHE 94 -0.632 2.515 -0.029 638 HA PRO 95 HA PRO 95 -1.873 1.028 6.516 639 HB2 PRO 95 1HB PRO 95 -3.506 -0.434 8.118 640 HB3 PRO 95 2HB PRO 95 -1.760 -0.320 8.373 641 HG2 PRO 95 1HG PRO 95 -3.975 1.157 9.742 642 HG3 PRO 95 2HG PRO 95 -2.522 0.421 10.442 643 HD2 PRO 95 1HD PRO 95 -2.722 3.078 9.962 644 HD3 PRO 95 2HD PRO 95 -1.182 2.201 9.851 645 H ALA 96 H ALA 96 -3.508 0.148 5.206 646 HA ALA 96 HA ALA 96 -6.157 1.410 5.406 647 HB1 ALA 96 1HB ALA 96 -6.064 2.354 3.381 648 HB2 ALA 96 2HB ALA 96 -4.316 2.158 3.524 649 HB3 ALA 96 3HB ALA 96 -5.271 0.952 2.662 650 H ARG 97 H ARG 97 -7.715 -0.061 5.468 651 HA ARG 97 HA ARG 97 -7.147 -2.819 4.821 652 HB2 ARG 97 1HB ARG 97 -9.390 -3.265 5.701 653 HB3 ARG 97 2HB ARG 97 -8.454 -2.279 6.817 654 HG2 ARG 97 1HG ARG 97 -10.395 -1.124 6.893 655 HG3 ARG 97 2HG ARG 97 -9.676 -0.324 5.494 656 HD2 ARG 97 1HD ARG 97 -11.094 -1.331 4.016 657 HD3 ARG 97 2HD ARG 97 -11.280 -2.774 5.012 658 HE ARG 97 HE ARG 97 -12.511 -0.804 6.440 659 HH11 ARG 97 1HH1 ARG 97 -12.827 -2.058 3.207 660 HH12 ARG 97 2HH1 ARG 97 -14.517 -1.696 3.092 661 HH21 ARG 97 1HH2 ARG 97 -14.736 -0.323 6.300 662 HH22 ARG 97 2HH2 ARG 97 -15.602 -0.708 4.852 663 H VAL 98 H VAL 98 -7.905 -3.975 3.120 664 HA VAL 98 HA VAL 98 -9.802 -2.714 1.279 665 HB VAL 98 HB VAL 98 -7.231 -3.966 0.312 666 HG11 VAL 98 1HG1 VAL 98 -7.957 -2.771 -1.818 667 HG12 VAL 98 2HG1 VAL 98 -8.871 -4.208 -1.354 668 HG13 VAL 98 3HG1 VAL 98 -9.535 -2.602 -1.050 669 HG21 VAL 98 1HG2 VAL 98 -7.740 -1.311 1.311 670 HG22 VAL 98 2HG2 VAL 98 -6.220 -2.045 0.800 671 HG23 VAL 98 3HG2 VAL 98 -7.265 -1.265 -0.387 672 H LYS 99 H LYS 99 -11.178 -4.112 0.302 673 HA LYS 99 HA LYS 99 -11.048 -6.894 1.169 674 HB2 LYS 99 1HB LYS 99 -13.146 -5.532 1.402 675 HB3 LYS 99 2HB LYS 99 -13.255 -5.498 -0.353 676 HG2 LYS 99 1HG LYS 99 -13.623 -7.825 -0.474 677 HG3 LYS 99 2HG LYS 99 -13.155 -8.061 1.211 678 HD2 LYS 99 1HD LYS 99 -15.120 -6.797 1.934 679 HD3 LYS 99 2HD LYS 99 -15.584 -6.547 0.250 680 HE2 LYS 99 1HE LYS 99 -16.895 -8.351 1.045 681 HE3 LYS 99 2HE LYS 99 -15.647 -9.057 0.019 682 HZ1 LYS 99 1HZ LYS 99 -15.466 -8.895 2.977 683 HZ2 LYS 99 2HZ LYS 99 -14.419 -9.720 1.937 684 HZ3 LYS 99 3HZ LYS 99 -16.010 -10.258 2.135 685 H VAL 100 H VAL 100 -10.181 -8.391 -0.091 686 HA VAL 100 HA VAL 100 -9.967 -7.882 -2.974 687 HB VAL 100 HB VAL 100 -8.502 -9.863 -1.226 688 HG11 VAL 100 1HG1 VAL 100 -9.014 -10.013 -3.977 689 HG12 VAL 100 2HG1 VAL 100 -7.344 -9.465 -3.823 690 HG13 VAL 100 3HG1 VAL 100 -7.856 -10.962 -3.044 691 HG21 VAL 100 1HG2 VAL 100 -7.584 -7.347 -2.614 692 HG22 VAL 100 2HG2 VAL 100 -7.775 -7.574 -0.875 693 HG23 VAL 100 3HG2 VAL 100 -6.537 -8.475 -1.751 694 H GLU 101 H GLU 101 -11.049 -9.067 -4.425 695 HA GLU 101 HA GLU 101 -12.841 -11.143 -3.439 696 HB2 GLU 101 1HB GLU 101 -12.706 -9.438 -5.878 697 HB3 GLU 101 2HB GLU 101 -13.508 -10.997 -6.011 698 HG2 GLU 101 1HG GLU 101 -14.832 -10.257 -3.937 699 HG3 GLU 101 2HG GLU 101 -14.250 -8.640 -4.327 700 HA PRO 102 HA PRO 102 -10.653 -14.595 -5.030 701 HB2 PRO 102 1HB PRO 102 -12.646 -16.143 -6.031 702 HB3 PRO 102 2HB PRO 102 -12.387 -15.913 -4.298 703 HG2 PRO 102 1HG PRO 102 -14.349 -14.568 -6.116 704 HG3 PRO 102 2HG PRO 102 -14.594 -15.200 -4.477 705 HD2 PRO 102 1HD PRO 102 -14.214 -12.567 -4.982 706 HD3 PRO 102 2HD PRO 102 -13.656 -13.342 -3.486 707 H ALA 103 H ALA 103 -9.886 -15.620 -6.917 708 HA ALA 103 HA ALA 103 -10.235 -14.037 -9.329 709 HB1 ALA 103 1HB ALA 103 -8.162 -14.680 -9.887 710 HB2 ALA 103 2HB ALA 103 -8.048 -15.209 -8.208 711 HB3 ALA 103 3HB ALA 103 -8.466 -16.367 -9.470 712 H VAL 104 H VAL 104 -12.556 -15.354 -8.788 713 HA VAL 104 HA VAL 104 -12.868 -17.913 -9.859 714 HB VAL 104 HB VAL 104 -15.269 -17.052 -10.373 715 HG11 VAL 104 1HG1 VAL 104 -13.916 -17.541 -7.792 716 HG12 VAL 104 2HG1 VAL 104 -15.538 -16.849 -7.713 717 HG13 VAL 104 3HG1 VAL 104 -15.272 -18.383 -8.542 718 HG21 VAL 104 1HG2 VAL 104 -14.932 -14.943 -8.404 719 HG22 VAL 104 2HG2 VAL 104 -14.060 -14.613 -9.901 720 HG23 VAL 104 3HG2 VAL 104 -15.795 -14.926 -9.942 721 H ASP 105 H ASP 105 -12.770 -18.685 -11.860 722 HA ASP 105 HA ASP 105 -12.440 -18.762 -14.116 723 HB2 ASP 105 1HB ASP 105 -14.747 -16.883 -13.756 724 HB3 ASP 105 2HB ASP 105 -14.102 -17.164 -15.371 725 H THR 106 H THR 106 -10.695 -16.990 -12.662 726 HA THR 106 HA THR 106 -10.353 -14.535 -14.039 727 HB THR 106 HB THR 106 -9.427 -15.131 -11.743 728 HG1 THR 106 1HG THR 106 -8.723 -13.354 -13.357 729 HG21 THR 106 1HG2 THR 106 -6.848 -15.933 -12.620 730 HG22 THR 106 2HG2 THR 106 -8.024 -17.055 -13.304 731 HG23 THR 106 3HG2 THR 106 -7.962 -16.797 -11.561 732 H SER 107 H SER 107 -8.287 -14.004 -15.224 733 HA SER 107 HA SER 107 -8.138 -15.384 -17.618 734 HB2 SER 107 1HB SER 107 -7.307 -13.070 -17.263 735 HB3 SER 107 2HB SER 107 -5.934 -13.724 -16.370 736 HG SER 107 HG SER 107 -5.645 -13.256 -18.705 737 H SER 108 H SER 108 -6.487 -16.709 -18.542 738 HA SER 108 HA SER 108 -5.170 -18.430 -16.549 739 HB2 SER 108 1HB SER 108 -6.960 -19.393 -18.132 740 HB3 SER 108 2HB SER 108 -5.744 -19.227 -19.398 741 HG SER 108 HG SER 108 -5.610 -20.797 -17.045 742 H GLY 109 H GLY 109 -3.172 -19.565 -17.457 743 HA2 GLY 109 1HA GLY 109 -1.419 -19.276 -19.240 744 HA3 GLY 109 2HA GLY 109 -1.552 -17.558 -18.898 745 HA PRO 110 HA PRO 110 0.601 -19.766 -15.131 746 HB2 PRO 110 1HB PRO 110 1.813 -22.111 -15.765 747 HB3 PRO 110 2HB PRO 110 0.156 -22.020 -15.156 748 HG2 PRO 110 1HG PRO 110 1.126 -22.313 -17.973 749 HG3 PRO 110 2HG PRO 110 -0.208 -23.149 -17.156 750 HD2 PRO 110 1HD PRO 110 -0.606 -21.056 -18.829 751 HD3 PRO 110 2HD PRO 110 -1.654 -21.375 -17.432 752 H SER 111 H SER 111 2.912 -19.950 -14.621 753 HA SER 111 HA SER 111 4.794 -19.589 -16.795 754 HB2 SER 111 1HB SER 111 5.595 -17.426 -16.102 755 HB3 SER 111 2HB SER 111 3.853 -17.303 -16.345 756 HG SER 111 HG SER 111 3.568 -17.001 -14.261 757 H SER 112 H SER 112 6.522 -20.747 -16.295 758 HA SER 112 HA SER 112 6.937 -21.920 -13.776 759 HB2 SER 112 1HB SER 112 9.008 -22.770 -14.683 760 HB3 SER 112 2HB SER 112 7.789 -22.816 -15.957 761 HG SER 112 HG SER 112 8.711 -20.655 -16.530 762 H GLY 113 H GLY 113 7.181 -20.571 -12.066 763 HA2 GLY 113 1HA GLY 113 9.467 -19.622 -11.123 764 HA3 GLY 113 2HA GLY 113 9.051 -18.336 -12.246 Start of MODEL 7 1 H1 GLY 1 H GLY 1 26.653 22.498 -3.048 2 HA2 GLY 1 1HA GLY 1 26.635 20.851 -4.692 3 HA3 GLY 1 2HA GLY 1 26.283 19.862 -3.283 4 H SER 2 H SER 2 24.916 21.517 -6.047 5 HA SER 2 HA SER 2 22.861 21.410 -7.046 6 HB2 SER 2 1HB SER 2 23.301 18.530 -6.233 7 HB3 SER 2 2HB SER 2 22.025 19.052 -7.334 8 HG SER 2 HG SER 2 24.225 18.341 -8.180 9 H SER 3 H SER 3 22.546 22.467 -4.582 10 HA SER 3 HA SER 3 19.925 21.422 -3.806 11 HB2 SER 3 1HB SER 3 20.450 21.588 -1.423 12 HB3 SER 3 2HB SER 3 21.555 20.462 -2.212 13 HG SER 3 HG SER 3 22.959 21.683 -1.179 14 H GLY 4 H GLY 4 18.506 22.965 -2.968 15 HA2 GLY 4 1HA GLY 4 19.453 25.715 -2.695 16 HA3 GLY 4 2HA GLY 4 18.285 25.403 -3.971 17 H SER 5 H SER 5 16.193 25.535 -3.476 18 HA SER 5 HA SER 5 15.194 26.579 -1.172 19 HB2 SER 5 1HB SER 5 13.884 24.686 -3.127 20 HB3 SER 5 2HB SER 5 12.997 25.467 -1.818 21 HG SER 5 HG SER 5 13.787 26.479 -4.202 22 H SER 6 H SER 6 14.438 25.859 0.776 23 HA SER 6 HA SER 6 15.592 23.521 1.858 24 HB2 SER 6 1HB SER 6 14.753 25.724 3.018 25 HB3 SER 6 2HB SER 6 13.232 24.842 3.150 26 HG SER 6 HG SER 6 14.305 24.305 4.962 27 H GLY 7 H GLY 7 14.610 21.606 2.612 28 HA2 GLY 7 1HA GLY 7 11.861 21.024 1.952 29 HA3 GLY 7 2HA GLY 7 13.022 20.200 0.922 30 HA PRO 8 HA PRO 8 13.522 18.575 5.484 31 HB2 PRO 8 1HB PRO 8 11.315 18.900 7.030 32 HB3 PRO 8 2HB PRO 8 12.632 20.077 6.978 33 HG2 PRO 8 1HG PRO 8 9.995 20.123 5.562 34 HG3 PRO 8 2HG PRO 8 10.846 21.443 6.386 35 HD2 PRO 8 1HD PRO 8 10.877 21.145 3.695 36 HD3 PRO 8 2HD PRO 8 12.247 21.825 4.596 37 H PHE 9 H PHE 9 12.726 16.581 6.398 38 HA PHE 9 HA PHE 9 11.230 15.037 4.485 39 HB2 PHE 9 1HB PHE 9 12.913 13.736 5.362 40 HB3 PHE 9 2HB PHE 9 12.782 14.457 6.963 41 HD1 PHE 9 2HD PHE 9 10.936 13.758 8.476 42 HD2 PHE 9 1HD PHE 9 11.741 11.768 4.800 43 HE1 PHE 9 2HE PHE 9 9.630 11.819 9.244 44 HE2 PHE 9 1HE PHE 9 10.435 9.827 5.562 45 HZ PHE 9 HZ PHE 9 9.379 9.850 7.786 46 H ASP 10 H ASP 10 9.223 14.131 4.722 47 HA ASP 10 HA ASP 10 7.739 14.223 7.154 48 HB2 ASP 10 1HB ASP 10 7.731 16.640 6.075 49 HB3 ASP 10 2HB ASP 10 6.487 15.933 5.048 50 HA PRO 11 HA PRO 11 6.088 10.875 4.706 51 HB2 PRO 11 1HB PRO 11 4.579 9.816 6.699 52 HB3 PRO 11 2HB PRO 11 6.328 9.580 6.589 53 HG2 PRO 11 1HG PRO 11 4.779 11.510 8.274 54 HG3 PRO 11 2HG PRO 11 6.178 10.513 8.714 55 HD2 PRO 11 1HD PRO 11 6.397 13.142 8.107 56 HD3 PRO 11 2HD PRO 11 7.680 11.969 7.746 57 H SER 12 H SER 12 4.185 13.115 6.655 58 HA SER 12 HA SER 12 1.643 12.428 5.660 59 HB2 SER 12 1HB SER 12 2.034 13.809 7.694 60 HB3 SER 12 2HB SER 12 2.563 15.135 6.659 61 HG SER 12 HG SER 12 -0.006 13.999 6.910 62 H LYS 13 H LYS 13 4.224 14.333 4.349 63 HA LYS 13 HA LYS 13 2.682 15.778 2.439 64 HB2 LYS 13 1HB LYS 13 5.630 15.107 2.462 65 HB3 LYS 13 2HB LYS 13 4.865 16.269 1.386 66 HG2 LYS 13 1HG LYS 13 4.704 16.531 4.369 67 HG3 LYS 13 2HG LYS 13 6.063 17.172 3.442 68 HD2 LYS 13 1HD LYS 13 4.787 18.787 2.432 69 HD3 LYS 13 2HD LYS 13 3.299 17.845 2.560 70 HE2 LYS 13 1HE LYS 13 3.558 18.213 5.101 71 HE3 LYS 13 2HE LYS 13 4.677 19.497 4.648 72 HZ1 LYS 13 1HZ LYS 13 2.996 20.685 3.587 73 HZ2 LYS 13 2HZ LYS 13 2.253 20.119 4.997 74 HZ3 LYS 13 3HZ LYS 13 1.950 19.357 3.517 75 H VAL 14 H VAL 14 3.786 12.554 2.622 76 HA VAL 14 HA VAL 14 3.989 12.018 -0.173 77 HB VAL 14 HB VAL 14 3.462 10.046 2.052 78 HG11 VAL 14 1HG1 VAL 14 4.628 8.484 0.470 79 HG12 VAL 14 2HG1 VAL 14 3.041 9.040 -0.065 80 HG13 VAL 14 3HG1 VAL 14 4.503 9.743 -0.757 81 HG21 VAL 14 1HG2 VAL 14 6.094 11.007 0.932 82 HG22 VAL 14 2HG2 VAL 14 5.451 11.382 2.531 83 HG23 VAL 14 3HG2 VAL 14 5.885 9.722 2.122 84 H VAL 15 H VAL 15 2.497 11.238 -1.590 85 HA VAL 15 HA VAL 15 -0.273 11.008 -0.605 86 HB VAL 15 HB VAL 15 0.660 12.053 -3.282 87 HG11 VAL 15 1HG1 VAL 15 -1.876 10.954 -2.412 88 HG12 VAL 15 2HG1 VAL 15 -2.037 12.617 -2.982 89 HG13 VAL 15 3HG1 VAL 15 -1.330 11.388 -4.032 90 HG21 VAL 15 1HG2 VAL 15 -0.971 13.612 -1.331 91 HG22 VAL 15 2HG2 VAL 15 0.769 13.474 -1.081 92 HG23 VAL 15 3HG2 VAL 15 0.146 14.180 -2.572 93 H ALA 16 H ALA 16 -1.218 9.105 -0.918 94 HA ALA 16 HA ALA 16 -0.100 7.306 -2.970 95 HB1 ALA 16 1HB ALA 16 0.020 5.617 -1.510 96 HB2 ALA 16 2HB ALA 16 -0.102 6.864 -0.268 97 HB3 ALA 16 3HB ALA 16 -1.547 6.001 -0.796 98 H SER 17 H SER 17 -1.454 6.647 -4.507 99 HA SER 17 HA SER 17 -4.306 6.433 -3.976 100 HB2 SER 17 1HB SER 17 -3.134 8.327 -6.015 101 HB3 SER 17 2HB SER 17 -4.800 7.752 -6.098 102 HG SER 17 HG SER 17 -5.249 8.775 -4.199 103 H GLY 18 H GLY 18 -5.465 5.549 -5.963 104 HA2 GLY 18 1HA GLY 18 -4.779 4.438 -8.189 105 HA3 GLY 18 2HA GLY 18 -3.735 3.483 -7.147 106 HA PRO 19 HA PRO 19 -8.067 1.608 -7.584 107 HB2 PRO 19 1HB PRO 19 -7.373 -0.548 -9.081 108 HB3 PRO 19 2HB PRO 19 -7.873 0.993 -9.789 109 HG2 PRO 19 1HG PRO 19 -5.116 -0.098 -9.378 110 HG3 PRO 19 2HG PRO 19 -5.787 0.746 -10.786 111 HD2 PRO 19 1HD PRO 19 -4.223 1.985 -8.955 112 HD3 PRO 19 2HD PRO 19 -5.524 2.824 -9.825 113 H GLY 20 H GLY 20 -4.850 0.284 -7.023 114 HA2 GLY 20 1HA GLY 20 -5.573 -2.118 -5.774 115 HA3 GLY 20 2HA GLY 20 -4.072 -1.246 -5.500 116 H LEU 21 H LEU 21 -5.354 1.152 -4.501 117 HA LEU 21 HA LEU 21 -5.691 0.303 -1.768 118 HB2 LEU 21 1HB LEU 21 -5.383 2.883 -3.197 119 HB3 LEU 21 2HB LEU 21 -6.186 2.918 -1.628 120 HG LEU 21 HG LEU 21 -3.553 1.542 -1.841 121 HD11 LEU 21 1HD1 LEU 21 -3.558 3.874 -3.013 122 HD12 LEU 21 2HD1 LEU 21 -2.279 3.454 -1.874 123 HD13 LEU 21 3HD1 LEU 21 -3.614 4.485 -1.359 124 HD21 LEU 21 1HD2 LEU 21 -5.230 2.859 0.222 125 HD22 LEU 21 2HD2 LEU 21 -3.479 2.928 0.423 126 HD23 LEU 21 3HD2 LEU 21 -4.292 1.367 0.304 127 H GLU 22 H GLU 22 -7.748 0.516 -4.346 128 HA GLU 22 HA GLU 22 -10.062 1.282 -2.710 129 HB2 GLU 22 1HB GLU 22 -9.965 0.858 -5.699 130 HB3 GLU 22 2HB GLU 22 -11.270 1.587 -4.773 131 HG2 GLU 22 1HG GLU 22 -9.425 3.296 -4.073 132 HG3 GLU 22 2HG GLU 22 -8.622 2.717 -5.531 133 H HIS 23 H HIS 23 -8.765 -1.314 -4.708 134 HA HIS 23 HA HIS 23 -10.302 -3.268 -3.278 135 HB2 HIS 23 1HB HIS 23 -10.817 -3.119 -6.244 136 HB3 HIS 23 2HB HIS 23 -11.649 -4.103 -5.043 137 HD1 HIS 23 1HD HIS 23 -13.374 -2.871 -3.501 138 HD2 HIS 23 2HD HIS 23 -11.790 -0.546 -6.558 139 HE1 HIS 23 1HE HIS 23 -14.863 -0.850 -3.649 140 HE2 HIS 23 2HE HIS 23 -13.936 0.501 -5.562 141 H GLY 24 H GLY 24 -9.927 -5.518 -4.311 142 HA2 GLY 24 1HA GLY 24 -7.457 -5.715 -5.834 143 HA3 GLY 24 2HA GLY 24 -7.377 -6.308 -4.182 144 H LYS 25 H LYS 25 -6.923 -7.904 -6.456 145 HA LYS 25 HA LYS 25 -9.081 -9.856 -6.108 146 HB2 LYS 25 1HB LYS 25 -9.163 -8.432 -8.320 147 HB3 LYS 25 2HB LYS 25 -7.877 -9.519 -8.826 148 HG2 LYS 25 1HG LYS 25 -9.366 -11.436 -8.352 149 HG3 LYS 25 2HG LYS 25 -10.659 -10.294 -7.976 150 HD2 LYS 25 1HD LYS 25 -10.922 -9.662 -10.164 151 HD3 LYS 25 2HD LYS 25 -9.248 -10.031 -10.585 152 HE2 LYS 25 1HE LYS 25 -11.096 -12.245 -9.813 153 HE3 LYS 25 2HE LYS 25 -11.201 -11.555 -11.432 154 HZ1 LYS 25 1HZ LYS 25 -9.638 -13.556 -10.966 155 HZ2 LYS 25 2HZ LYS 25 -8.579 -12.371 -10.387 156 HZ3 LYS 25 3HZ LYS 25 -9.124 -12.309 -11.987 157 H VAL 26 H VAL 26 -8.388 -11.907 -5.864 158 HA VAL 26 HA VAL 26 -5.776 -12.517 -5.225 159 HB VAL 26 HB VAL 26 -7.962 -14.335 -6.234 160 HG11 VAL 26 1HG1 VAL 26 -6.188 -15.858 -4.737 161 HG12 VAL 26 2HG1 VAL 26 -6.411 -15.914 -6.486 162 HG13 VAL 26 3HG1 VAL 26 -5.157 -14.889 -5.789 163 HG21 VAL 26 1HG2 VAL 26 -7.146 -13.262 -3.606 164 HG22 VAL 26 2HG2 VAL 26 -8.743 -13.714 -4.201 165 HG23 VAL 26 3HG2 VAL 26 -7.624 -14.959 -3.647 166 H GLY 27 H GLY 27 -3.999 -12.505 -6.426 167 HA2 GLY 27 1HA GLY 27 -2.651 -13.424 -8.155 168 HA3 GLY 27 2HA GLY 27 -4.102 -13.671 -9.116 169 H GLU 28 H GLU 28 -5.029 -10.904 -8.467 170 HA GLU 28 HA GLU 28 -3.859 -9.616 -10.722 171 HB2 GLU 28 1HB GLU 28 -5.883 -8.840 -8.656 172 HB3 GLU 28 2HB GLU 28 -5.216 -7.611 -9.721 173 HG2 GLU 28 1HG GLU 28 -6.567 -10.129 -10.661 174 HG3 GLU 28 2HG GLU 28 -7.359 -8.562 -10.504 175 H ALA 29 H ALA 29 -3.402 -7.071 -10.241 176 HA ALA 29 HA ALA 29 -1.365 -6.971 -8.116 177 HB1 ALA 29 1HB ALA 29 -1.003 -5.635 -10.782 178 HB2 ALA 29 2HB ALA 29 0.201 -5.928 -9.526 179 HB3 ALA 29 3HB ALA 29 -0.441 -7.276 -10.464 180 H GLY 30 H GLY 30 -1.740 -5.388 -6.716 181 HA2 GLY 30 1HA GLY 30 -3.740 -3.395 -7.222 182 HA3 GLY 30 2HA GLY 30 -2.761 -3.545 -5.770 183 H LEU 31 H LEU 31 -3.139 -1.980 -8.814 184 HA LEU 31 HA LEU 31 -0.571 -0.835 -9.062 185 HB2 LEU 31 1HB LEU 31 -3.232 0.190 -10.039 186 HB3 LEU 31 2HB LEU 31 -1.656 0.775 -10.568 187 HG LEU 31 HG LEU 31 -2.644 -2.044 -10.986 188 HD11 LEU 31 1HD1 LEU 31 -2.879 0.421 -12.657 189 HD12 LEU 31 2HD1 LEU 31 -4.070 -0.841 -12.344 190 HD13 LEU 31 3HD1 LEU 31 -2.713 -1.159 -13.424 191 HD21 LEU 31 1HD2 LEU 31 -0.748 -2.389 -12.286 192 HD22 LEU 31 2HD2 LEU 31 -0.132 -1.467 -10.913 193 HD23 LEU 31 3HD2 LEU 31 -0.429 -0.662 -12.455 194 H LEU 32 H LEU 32 0.374 0.515 -7.696 195 HA LEU 32 HA LEU 32 -1.269 2.579 -6.392 196 HB2 LEU 32 1HB LEU 32 1.042 1.107 -5.138 197 HB3 LEU 32 2HB LEU 32 0.078 2.374 -4.383 198 HG LEU 32 HG LEU 32 -0.904 -0.373 -5.159 199 HD11 LEU 32 1HD1 LEU 32 -1.227 -0.237 -2.509 200 HD12 LEU 32 2HD1 LEU 32 0.198 0.788 -2.675 201 HD13 LEU 32 3HD1 LEU 32 0.232 -0.872 -3.269 202 HD21 LEU 32 1HD2 LEU 32 -2.648 1.324 -5.360 203 HD22 LEU 32 2HD2 LEU 32 -2.303 1.882 -3.723 204 HD23 LEU 32 3HD2 LEU 32 -2.949 0.261 -3.985 205 H SER 33 H SER 33 -0.508 4.608 -6.514 206 HA SER 33 HA SER 33 2.240 4.985 -7.509 207 HB2 SER 33 1HB SER 33 -0.328 6.271 -8.381 208 HB3 SER 33 2HB SER 33 1.195 7.145 -8.547 209 HG SER 33 HG SER 33 0.729 4.541 -9.572 210 H VAL 34 H VAL 34 3.491 6.124 -6.196 211 HA VAL 34 HA VAL 34 2.223 7.773 -4.119 212 HB VAL 34 HB VAL 34 5.059 6.735 -4.213 213 HG11 VAL 34 1HG1 VAL 34 3.511 8.388 -2.274 214 HG12 VAL 34 2HG1 VAL 34 4.740 7.275 -1.668 215 HG13 VAL 34 3HG1 VAL 34 5.185 8.547 -2.806 216 HG21 VAL 34 1HG2 VAL 34 3.655 4.842 -3.984 217 HG22 VAL 34 2HG2 VAL 34 4.228 5.227 -2.361 218 HG23 VAL 34 3HG2 VAL 34 2.594 5.676 -2.849 219 H ASP 35 H ASP 35 2.521 9.917 -4.042 220 HA ASP 35 HA ASP 35 4.448 11.100 -5.935 221 HB2 ASP 35 1HB ASP 35 1.949 11.442 -6.379 222 HB3 ASP 35 2HB ASP 35 1.951 12.472 -4.950 223 H CYS 36 H CYS 36 6.174 11.640 -4.741 224 HA CYS 36 HA CYS 36 5.769 12.874 -2.117 225 HB2 CYS 36 1HB CYS 36 8.084 12.403 -1.678 226 HB3 CYS 36 2HB CYS 36 7.358 10.952 -2.358 227 HG CYS 36 HG CYS 36 10.079 12.318 -3.274 228 H SER 37 H SER 37 5.713 15.010 -2.011 229 HA SER 37 HA SER 37 7.058 16.576 -4.098 230 HB2 SER 37 1HB SER 37 4.759 17.159 -2.246 231 HB3 SER 37 2HB SER 37 5.631 18.466 -3.046 232 HG SER 37 HG SER 37 4.832 17.870 -4.933 233 H GLU 38 H GLU 38 6.379 16.916 -0.609 234 HA GLU 38 HA GLU 38 9.081 18.054 -0.303 235 HB2 GLU 38 1HB GLU 38 6.460 18.850 0.908 236 HB3 GLU 38 2HB GLU 38 7.950 19.148 1.793 237 HG2 GLU 38 1HG GLU 38 7.557 20.080 -1.030 238 HG3 GLU 38 2HG GLU 38 7.048 21.036 0.360 239 H ALA 39 H ALA 39 7.902 15.258 -0.005 240 HA ALA 39 HA ALA 39 7.909 14.562 2.729 241 HB1 ALA 39 1HB ALA 39 7.523 13.239 0.273 242 HB2 ALA 39 2HB ALA 39 8.797 12.368 1.127 243 HB3 ALA 39 3HB ALA 39 7.232 12.620 1.899 244 H GLY 40 H GLY 40 10.426 15.529 0.708 245 HA2 GLY 40 1HA GLY 40 12.697 15.648 1.018 246 HA3 GLY 40 2HA GLY 40 12.396 15.246 2.702 247 HA PRO 41 HA PRO 41 14.850 11.759 1.021 248 HB2 PRO 41 1HB PRO 41 16.202 11.322 3.334 249 HB3 PRO 41 2HB PRO 41 16.700 12.530 2.144 250 HG2 PRO 41 1HG PRO 41 15.164 12.898 4.688 251 HG3 PRO 41 2HG PRO 41 16.485 13.879 4.026 252 HD2 PRO 41 1HD PRO 41 13.884 14.601 3.811 253 HD3 PRO 41 2HD PRO 41 15.091 15.001 2.572 254 H GLY 42 H GLY 42 15.444 9.685 2.675 255 HA2 GLY 42 1HA GLY 42 14.461 8.179 4.270 256 HA3 GLY 42 2HA GLY 42 12.898 8.908 3.934 257 H ALA 43 H ALA 43 13.659 6.093 3.894 258 HA ALA 43 HA ALA 43 13.444 5.427 1.048 259 HB1 ALA 43 1HB ALA 43 14.347 3.956 3.468 260 HB2 ALA 43 2HB ALA 43 13.676 3.029 2.126 261 HB3 ALA 43 3HB ALA 43 15.081 4.063 1.868 262 H LEU 44 H LEU 44 11.715 4.353 0.186 263 HA LEU 44 HA LEU 44 9.291 4.332 1.814 264 HB2 LEU 44 1HB LEU 44 8.923 5.438 -0.202 265 HB3 LEU 44 2HB LEU 44 9.847 4.256 -1.127 266 HG LEU 44 HG LEU 44 8.013 2.618 -0.756 267 HD11 LEU 44 1HD1 LEU 44 5.942 4.485 -0.145 268 HD12 LEU 44 2HD1 LEU 44 7.163 4.532 1.126 269 HD13 LEU 44 3HD1 LEU 44 6.391 3.004 0.701 270 HD21 LEU 44 1HD2 LEU 44 6.570 3.517 -2.430 271 HD22 LEU 44 2HD2 LEU 44 8.210 4.056 -2.791 272 HD23 LEU 44 3HD2 LEU 44 7.059 5.167 -2.047 273 H GLY 45 H GLY 45 7.984 2.522 2.082 274 HA2 GLY 45 1HA GLY 45 8.717 -0.017 0.921 275 HA3 GLY 45 2HA GLY 45 9.084 0.105 2.635 276 H LEU 46 H LEU 46 7.028 -1.376 0.843 277 HA LEU 46 HA LEU 46 4.682 -0.717 2.500 278 HB2 LEU 46 1HB LEU 46 4.293 -0.167 0.171 279 HB3 LEU 46 2HB LEU 46 4.774 -1.791 -0.315 280 HG LEU 46 HG LEU 46 2.770 -2.544 1.162 281 HD11 LEU 46 1HD1 LEU 46 0.939 -0.905 1.186 282 HD12 LEU 46 2HD1 LEU 46 2.051 0.327 0.591 283 HD13 LEU 46 3HD1 LEU 46 2.305 -0.397 2.179 284 HD21 LEU 46 1HD2 LEU 46 3.136 -2.250 -1.497 285 HD22 LEU 46 2HD2 LEU 46 1.744 -1.196 -1.246 286 HD23 LEU 46 3HD2 LEU 46 1.664 -2.893 -0.768 287 H GLU 47 H GLU 47 3.353 -2.466 3.180 288 HA GLU 47 HA GLU 47 4.493 -5.149 2.894 289 HB2 GLU 47 1HB GLU 47 5.374 -4.176 4.996 290 HB3 GLU 47 2HB GLU 47 3.724 -3.933 5.553 291 HG2 GLU 47 1HG GLU 47 3.338 -6.329 5.526 292 HG3 GLU 47 2HG GLU 47 4.968 -6.597 4.910 293 H ALA 48 H ALA 48 2.907 -6.284 1.997 294 HA ALA 48 HA ALA 48 0.127 -5.709 2.722 295 HB1 ALA 48 1HB ALA 48 -0.496 -6.943 0.748 296 HB2 ALA 48 2HB ALA 48 0.745 -5.762 0.328 297 HB3 ALA 48 3HB ALA 48 1.171 -7.464 0.504 298 H VAL 49 H VAL 49 -0.979 -6.994 4.043 299 HA VAL 49 HA VAL 49 -0.224 -9.811 4.295 300 HB VAL 49 HB VAL 49 -0.467 -7.900 6.619 301 HG11 VAL 49 1HG1 VAL 49 -1.468 -9.655 7.625 302 HG12 VAL 49 2HG1 VAL 49 -0.843 -10.821 6.456 303 HG13 VAL 49 3HG1 VAL 49 0.188 -10.244 7.767 304 HG21 VAL 49 1HG2 VAL 49 1.746 -7.797 6.435 305 HG22 VAL 49 2HG2 VAL 49 1.811 -9.513 6.835 306 HG23 VAL 49 3HG2 VAL 49 1.747 -9.002 5.148 307 H SER 50 H SER 50 -1.929 -11.146 4.462 308 HA SER 50 HA SER 50 -4.572 -10.033 4.242 309 HB2 SER 50 1HB SER 50 -3.918 -12.020 2.941 310 HB3 SER 50 2HB SER 50 -3.684 -12.922 4.438 311 HG SER 50 HG SER 50 -5.944 -12.484 4.872 312 H ASP 51 H ASP 51 -6.376 -10.735 5.598 313 HA ASP 51 HA ASP 51 -6.128 -10.089 8.241 314 HB2 ASP 51 1HB ASP 51 -8.322 -10.810 8.536 315 HB3 ASP 51 2HB ASP 51 -8.247 -10.537 6.798 316 H SER 52 H SER 52 -6.004 -13.352 6.847 317 HA SER 52 HA SER 52 -5.620 -14.676 9.328 318 HB2 SER 52 1HB SER 52 -6.333 -15.582 6.941 319 HB3 SER 52 2HB SER 52 -4.600 -15.869 6.785 320 HG SER 52 HG SER 52 -6.407 -17.313 8.107 321 H GLY 53 H GLY 53 -3.499 -13.055 7.119 322 HA2 GLY 53 1HA GLY 53 -1.374 -12.274 8.023 323 HA3 GLY 53 2HA GLY 53 -1.220 -13.827 8.831 324 H THR 54 H THR 54 -1.939 -12.844 5.481 325 HA THR 54 HA THR 54 0.168 -14.703 4.598 326 HB THR 54 HB THR 54 -2.196 -13.682 3.011 327 HG1 THR 54 1HG THR 54 -2.355 -15.373 4.870 328 HG21 THR 54 1HG2 THR 54 -0.165 -15.827 2.373 329 HG22 THR 54 2HG2 THR 54 -0.241 -14.229 1.630 330 HG23 THR 54 3HG2 THR 54 -1.551 -15.382 1.378 331 H LYS 55 H LYS 55 1.980 -13.755 3.963 332 HA LYS 55 HA LYS 55 2.077 -10.957 3.310 333 HB2 LYS 55 1HB LYS 55 4.201 -13.107 3.248 334 HB3 LYS 55 2HB LYS 55 4.508 -11.402 2.947 335 HG2 LYS 55 1HG LYS 55 4.011 -10.811 5.166 336 HG3 LYS 55 2HG LYS 55 3.262 -12.375 5.498 337 HD2 LYS 55 1HD LYS 55 5.474 -13.449 5.188 338 HD3 LYS 55 2HD LYS 55 6.189 -11.847 4.986 339 HE2 LYS 55 1HE LYS 55 6.572 -12.221 7.221 340 HE3 LYS 55 2HE LYS 55 5.029 -11.371 7.282 341 HZ1 LYS 55 1HZ LYS 55 3.910 -13.524 7.421 342 HZ2 LYS 55 2HZ LYS 55 4.986 -13.301 8.707 343 HZ3 LYS 55 3HZ LYS 55 5.407 -14.314 7.418 344 H ALA 56 H ALA 56 1.386 -10.272 1.392 345 HA ALA 56 HA ALA 56 1.448 -11.956 -0.944 346 HB1 ALA 56 1HB ALA 56 -0.447 -10.576 -0.787 347 HB2 ALA 56 2HB ALA 56 0.522 -9.142 -0.446 348 HB3 ALA 56 3HB ALA 56 0.541 -9.857 -2.058 349 H GLU 57 H GLU 57 2.255 -10.920 -3.054 350 HA GLU 57 HA GLU 57 5.062 -10.336 -2.687 351 HB2 GLU 57 1HB GLU 57 4.642 -11.864 -4.426 352 HB3 GLU 57 2HB GLU 57 3.330 -10.894 -5.080 353 HG2 GLU 57 1HG GLU 57 4.732 -9.484 -6.190 354 HG3 GLU 57 2HG GLU 57 6.053 -9.715 -5.046 355 H VAL 58 H VAL 58 5.742 -8.331 -2.358 356 HA VAL 58 HA VAL 58 4.309 -6.121 -3.683 357 HB VAL 58 HB VAL 58 5.903 -6.048 -1.116 358 HG11 VAL 58 1HG1 VAL 58 4.372 -3.859 -2.518 359 HG12 VAL 58 2HG1 VAL 58 5.151 -3.727 -0.940 360 HG13 VAL 58 3HG1 VAL 58 6.127 -3.977 -2.388 361 HG21 VAL 58 1HG2 VAL 58 3.481 -7.076 -1.290 362 HG22 VAL 58 2HG2 VAL 58 3.940 -6.039 0.062 363 HG23 VAL 58 3HG2 VAL 58 3.009 -5.376 -1.282 364 H SER 59 H SER 59 5.475 -4.548 -4.745 365 HA SER 59 HA SER 59 8.385 -4.733 -4.796 366 HB2 SER 59 1HB SER 59 7.470 -6.237 -6.609 367 HB3 SER 59 2HB SER 59 6.795 -4.794 -7.367 368 HG SER 59 HG SER 59 9.469 -5.576 -7.077 369 H ILE 60 H ILE 60 9.282 -2.775 -4.827 370 HA ILE 60 HA ILE 60 7.582 -0.490 -5.581 371 HB ILE 60 HB ILE 60 9.933 -0.521 -3.685 372 HG12 ILE 60 1HG1 ILE 60 7.101 0.068 -2.899 373 HG13 ILE 60 2HG1 ILE 60 7.632 -1.604 -3.042 374 HG21 ILE 60 1HG2 ILE 60 9.968 1.692 -3.831 375 HG22 ILE 60 2HG2 ILE 60 8.782 1.598 -5.132 376 HG23 ILE 60 3HG2 ILE 60 8.245 1.777 -3.462 377 HD11 ILE 60 1HD1 ILE 60 7.743 -0.620 -0.744 378 HD12 ILE 60 2HD1 ILE 60 9.248 -1.323 -1.337 379 HD13 ILE 60 3HD1 ILE 60 9.034 0.427 -1.332 380 H GLN 61 H GLN 61 8.231 0.839 -7.163 381 HA GLN 61 HA GLN 61 11.001 0.606 -8.128 382 HB2 GLN 61 1HB GLN 61 9.094 -0.514 -9.530 383 HB3 GLN 61 2HB GLN 61 8.748 1.136 -10.029 384 HG2 GLN 61 1HG GLN 61 10.279 -0.265 -11.508 385 HG3 GLN 61 2HG GLN 61 10.792 1.373 -11.107 386 HE21 GLN 61 1HE2 GLN 61 12.950 1.155 -11.226 387 HE22 GLN 61 2HE2 GLN 61 13.883 0.087 -10.240 388 H ASN 62 H ASN 62 11.859 2.481 -9.167 389 HA ASN 62 HA ASN 62 10.626 4.952 -8.185 390 HB2 ASN 62 1HB ASN 62 13.429 4.509 -9.235 391 HB3 ASN 62 2HB ASN 62 12.822 5.969 -8.460 392 HD21 ASN 62 1HD2 ASN 62 14.022 6.057 -6.667 393 HD22 ASN 62 2HD2 ASN 62 14.089 4.821 -5.462 394 H ASN 63 H ASN 63 10.612 6.849 -9.548 395 HA ASN 63 HA ASN 63 10.658 6.273 -12.430 396 HB2 ASN 63 1HB ASN 63 8.493 7.869 -11.044 397 HB3 ASN 63 2HB ASN 63 8.582 7.486 -12.761 398 HD21 ASN 63 1HD2 ASN 63 7.231 6.628 -9.878 399 HD22 ASN 63 2HD2 ASN 63 6.751 5.013 -10.260 400 H LYS 64 H LYS 64 10.828 8.198 -13.779 401 HA LYS 64 HA LYS 64 12.801 9.988 -12.820 402 HB2 LYS 64 1HB LYS 64 12.690 9.360 -15.170 403 HB3 LYS 64 2HB LYS 64 11.100 10.097 -15.318 404 HG2 LYS 64 1HG LYS 64 13.344 11.806 -14.394 405 HG3 LYS 64 2HG LYS 64 13.293 11.339 -16.096 406 HD2 LYS 64 1HD LYS 64 11.243 12.408 -16.447 407 HD3 LYS 64 2HD LYS 64 10.882 12.480 -14.721 408 HE2 LYS 64 1HE LYS 64 13.131 13.985 -16.048 409 HE3 LYS 64 2HE LYS 64 11.536 14.667 -15.733 410 HZ1 LYS 64 1HZ LYS 64 12.749 13.448 -13.427 411 HZ2 LYS 64 2HZ LYS 64 12.012 14.962 -13.588 412 HZ3 LYS 64 3HZ LYS 64 13.632 14.757 -14.032 413 H ASP 65 H ASP 65 9.399 10.011 -12.641 414 HA ASP 65 HA ASP 65 9.154 12.889 -12.411 415 HB2 ASP 65 1HB ASP 65 7.192 10.615 -12.128 416 HB3 ASP 65 2HB ASP 65 6.756 12.287 -11.789 417 H GLY 66 H GLY 66 10.304 10.546 -10.424 418 HA2 GLY 66 1HA GLY 66 10.987 10.809 -8.209 419 HA3 GLY 66 2HA GLY 66 9.957 12.227 -8.085 420 H THR 67 H THR 67 8.192 9.759 -9.436 421 HA THR 67 HA THR 67 6.820 9.286 -6.906 422 HB THR 67 HB THR 67 5.095 8.167 -8.355 423 HG1 THR 67 1HG THR 67 6.463 9.355 -10.537 424 HG21 THR 67 1HG2 THR 67 5.303 10.722 -7.721 425 HG22 THR 67 2HG2 THR 67 4.055 10.158 -8.832 426 HG23 THR 67 3HG2 THR 67 5.525 10.900 -9.461 427 H TYR 68 H TYR 68 6.023 7.072 -6.440 428 HA TYR 68 HA TYR 68 8.024 5.051 -7.216 429 HB2 TYR 68 1HB TYR 68 6.575 5.373 -4.581 430 HB3 TYR 68 2HB TYR 68 7.615 4.012 -4.990 431 HD1 TYR 68 2HD TYR 68 7.523 7.588 -4.169 432 HD2 TYR 68 1HD TYR 68 10.019 4.253 -5.035 433 HE1 TYR 68 2HE TYR 68 9.475 8.844 -3.355 434 HE2 TYR 68 1HE TYR 68 11.977 5.499 -4.223 435 HH TYR 68 HH TYR 68 12.129 7.688 -2.380 436 H ALA 69 H ALA 69 7.288 3.261 -8.159 437 HA ALA 69 HA ALA 69 4.410 2.912 -8.443 438 HB1 ALA 69 1HB ALA 69 5.004 1.239 -10.147 439 HB2 ALA 69 2HB ALA 69 5.744 2.809 -10.461 440 HB3 ALA 69 3HB ALA 69 6.710 1.498 -9.785 441 H VAL 70 H VAL 70 3.707 2.060 -6.511 442 HA VAL 70 HA VAL 70 4.982 -0.376 -5.511 443 HB VAL 70 HB VAL 70 2.917 1.468 -4.323 444 HG11 VAL 70 1HG1 VAL 70 2.271 -0.816 -3.782 445 HG12 VAL 70 2HG1 VAL 70 3.905 -1.156 -3.209 446 HG13 VAL 70 3HG1 VAL 70 2.894 0.010 -2.354 447 HG21 VAL 70 1HG2 VAL 70 5.746 1.320 -4.217 448 HG22 VAL 70 2HG2 VAL 70 4.674 2.433 -3.368 449 HG23 VAL 70 3HG2 VAL 70 5.122 0.899 -2.622 450 H THR 71 H THR 71 4.026 -2.346 -5.521 451 HA THR 71 HA THR 71 1.236 -2.578 -6.368 452 HB THR 71 HB THR 71 3.199 -4.426 -7.657 453 HG1 THR 71 1HG THR 71 4.040 -2.840 -8.762 454 HG21 THR 71 1HG2 THR 71 1.486 -4.357 -9.457 455 HG22 THR 71 2HG2 THR 71 0.529 -3.263 -8.457 456 HG23 THR 71 3HG2 THR 71 0.847 -4.909 -7.909 457 H TYR 72 H TYR 72 0.284 -4.639 -5.902 458 HA TYR 72 HA TYR 72 1.829 -6.464 -4.233 459 HB2 TYR 72 1HB TYR 72 0.362 -6.370 -2.366 460 HB3 TYR 72 2HB TYR 72 0.754 -4.700 -2.759 461 HD1 TYR 72 2HD TYR 72 -1.868 -7.293 -2.995 462 HD2 TYR 72 1HD TYR 72 -0.938 -3.162 -3.410 463 HE1 TYR 72 2HE TYR 72 -4.268 -6.774 -3.148 464 HE2 TYR 72 1HE TYR 72 -3.335 -2.632 -3.562 465 HH TYR 72 HH TYR 72 -5.475 -3.587 -2.937 466 H VAL 73 H VAL 73 1.309 -8.526 -4.608 467 HA VAL 73 HA VAL 73 -1.137 -9.063 -6.158 468 HB VAL 73 HB VAL 73 1.398 -10.701 -6.023 469 HG11 VAL 73 1HG1 VAL 73 -1.257 -11.130 -7.300 470 HG12 VAL 73 2HG1 VAL 73 0.190 -11.700 -8.135 471 HG13 VAL 73 3HG1 VAL 73 -0.182 -12.285 -6.513 472 HG21 VAL 73 1HG2 VAL 73 0.395 -9.275 -8.454 473 HG22 VAL 73 2HG2 VAL 73 1.366 -8.418 -7.257 474 HG23 VAL 73 3HG2 VAL 73 2.026 -9.832 -8.078 475 HA PRO 74 HA PRO 74 -2.243 -11.030 -2.229 476 HB2 PRO 74 1HB PRO 74 -4.898 -11.128 -2.787 477 HB3 PRO 74 2HB PRO 74 -4.098 -9.675 -2.174 478 HG2 PRO 74 1HG PRO 74 -4.856 -10.379 -4.984 479 HG3 PRO 74 2HG PRO 74 -5.025 -8.832 -4.133 480 HD2 PRO 74 1HD PRO 74 -3.011 -9.323 -5.875 481 HD3 PRO 74 2HD PRO 74 -2.816 -8.264 -4.464 482 H LEU 75 H LEU 75 -1.957 -13.150 -1.997 483 HA LEU 75 HA LEU 75 -2.447 -14.969 -4.184 484 HB2 LEU 75 1HB LEU 75 -1.529 -15.542 -1.371 485 HB3 LEU 75 2HB LEU 75 -1.476 -16.659 -2.733 486 HG LEU 75 HG LEU 75 0.064 -14.074 -2.694 487 HD11 LEU 75 1HD1 LEU 75 1.494 -16.598 -2.204 488 HD12 LEU 75 2HD1 LEU 75 0.506 -16.008 -0.868 489 HD13 LEU 75 3HD1 LEU 75 1.772 -14.985 -1.548 490 HD21 LEU 75 1HD2 LEU 75 0.738 -14.667 -4.725 491 HD22 LEU 75 2HD2 LEU 75 -0.467 -15.955 -4.690 492 HD23 LEU 75 3HD2 LEU 75 1.186 -16.279 -4.166 493 H THR 76 H THR 76 -3.777 -14.361 -0.965 494 HA THR 76 HA THR 76 -6.008 -16.174 -1.622 495 HB THR 76 HB THR 76 -4.728 -16.970 0.309 496 HG1 THR 76 1HG THR 76 -7.242 -16.799 0.172 497 HG21 THR 76 1HG2 THR 76 -5.593 -14.725 2.030 498 HG22 THR 76 2HG2 THR 76 -4.264 -14.392 0.920 499 HG23 THR 76 3HG2 THR 76 -4.127 -15.702 2.092 500 H ALA 77 H ALA 77 -7.982 -15.317 -1.762 501 HA ALA 77 HA ALA 77 -8.408 -12.536 -1.654 502 HB1 ALA 77 1HB ALA 77 -10.217 -13.107 -2.801 503 HB2 ALA 77 2HB ALA 77 -9.844 -14.806 -2.511 504 HB3 ALA 77 3HB ALA 77 -10.885 -13.929 -1.391 505 H GLY 78 H GLY 78 -9.631 -11.269 -0.212 506 HA2 GLY 78 1HA GLY 78 -11.074 -11.674 1.935 507 HA3 GLY 78 2HA GLY 78 -9.533 -12.256 2.546 508 H MET 79 H MET 79 -10.148 -10.450 4.112 509 HA MET 79 HA MET 79 -9.785 -7.754 3.207 510 HB2 MET 79 1HB MET 79 -10.257 -9.100 5.816 511 HB3 MET 79 2HB MET 79 -9.517 -7.505 5.856 512 HG2 MET 79 1HG MET 79 -11.945 -7.874 4.192 513 HG3 MET 79 2HG MET 79 -12.130 -7.841 5.944 514 HE1 MET 79 1HE MET 79 -10.548 -5.912 2.889 515 HE2 MET 79 2HE MET 79 -10.071 -4.401 3.663 516 HE3 MET 79 3HE MET 79 -9.273 -5.911 4.108 517 H TYR 80 H TYR 80 -7.873 -6.990 2.606 518 HA TYR 80 HA TYR 80 -5.437 -8.090 3.794 519 HB2 TYR 80 1HB TYR 80 -6.086 -6.660 1.265 520 HB3 TYR 80 2HB TYR 80 -4.470 -6.446 1.928 521 HD1 TYR 80 2HD TYR 80 -6.859 -8.912 0.585 522 HD2 TYR 80 1HD TYR 80 -2.858 -8.208 1.847 523 HE1 TYR 80 2HE TYR 80 -6.174 -11.051 -0.417 524 HE2 TYR 80 1HE TYR 80 -2.160 -10.345 0.847 525 HH TYR 80 HH TYR 80 -2.891 -12.288 -0.041 526 H THR 81 H THR 81 -3.745 -6.691 4.537 527 HA THR 81 HA THR 81 -4.723 -4.077 5.488 528 HB THR 81 HB THR 81 -2.841 -5.958 6.928 529 HG1 THR 81 1HG THR 81 -5.199 -6.417 6.907 530 HG21 THR 81 1HG2 THR 81 -2.117 -3.873 7.615 531 HG22 THR 81 2HG2 THR 81 -3.378 -4.212 8.802 532 HG23 THR 81 3HG2 THR 81 -3.714 -3.145 7.439 533 H LEU 82 H LEU 82 -3.796 -2.866 3.853 534 HA LEU 82 HA LEU 82 -1.069 -3.186 3.057 535 HB2 LEU 82 1HB LEU 82 -2.700 -0.709 2.620 536 HB3 LEU 82 2HB LEU 82 -1.420 -1.378 1.611 537 HG LEU 82 HG LEU 82 -4.050 -2.787 1.972 538 HD11 LEU 82 1HD1 LEU 82 -3.386 -0.441 0.270 539 HD12 LEU 82 2HD1 LEU 82 -4.897 -0.867 1.072 540 HD13 LEU 82 3HD1 LEU 82 -4.414 -1.708 -0.401 541 HD21 LEU 82 1HD2 LEU 82 -1.802 -3.737 0.938 542 HD22 LEU 82 2HD2 LEU 82 -2.389 -2.879 -0.488 543 HD23 LEU 82 3HD2 LEU 82 -3.382 -4.131 0.259 544 H THR 83 H THR 83 0.708 -2.348 3.934 545 HA THR 83 HA THR 83 0.454 -0.050 5.749 546 HB THR 83 HB THR 83 2.180 -2.462 6.334 547 HG1 THR 83 1HG THR 83 0.637 -2.959 7.897 548 HG21 THR 83 1HG2 THR 83 1.675 -0.864 8.614 549 HG22 THR 83 2HG2 THR 83 2.183 0.219 7.318 550 HG23 THR 83 3HG2 THR 83 3.211 -1.133 7.792 551 H MET 84 H MET 84 1.630 1.540 4.918 552 HA MET 84 HA MET 84 4.229 0.872 3.701 553 HB2 MET 84 1HB MET 84 2.500 1.619 2.052 554 HB3 MET 84 2HB MET 84 2.429 3.161 2.894 555 HG2 MET 84 1HG MET 84 4.428 3.858 2.086 556 HG3 MET 84 2HG MET 84 5.090 2.228 2.005 557 HE1 MET 84 1HE MET 84 1.574 2.950 -0.560 558 HE2 MET 84 2HE MET 84 1.904 3.720 0.992 559 HE3 MET 84 3HE MET 84 2.352 4.532 -0.509 560 H LYS 85 H LYS 85 5.958 1.879 4.517 561 HA LYS 85 HA LYS 85 5.506 4.194 6.285 562 HB2 LYS 85 1HB LYS 85 7.106 1.719 6.679 563 HB3 LYS 85 2HB LYS 85 7.782 3.220 7.298 564 HG2 LYS 85 1HG LYS 85 5.376 3.482 8.335 565 HG3 LYS 85 2HG LYS 85 5.365 1.725 8.162 566 HD2 LYS 85 1HD LYS 85 7.751 3.016 9.388 567 HD3 LYS 85 2HD LYS 85 6.276 2.889 10.350 568 HE2 LYS 85 1HE LYS 85 7.722 0.975 10.744 569 HE3 LYS 85 2HE LYS 85 6.233 0.471 9.946 570 HZ1 LYS 85 1HZ LYS 85 8.343 -0.521 9.059 571 HZ2 LYS 85 2HZ LYS 85 8.741 1.011 8.464 572 HZ3 LYS 85 3HZ LYS 85 7.353 0.221 7.905 573 H TYR 86 H TYR 86 6.478 5.993 5.643 574 HA TYR 86 HA TYR 86 8.681 5.786 3.709 575 HB2 TYR 86 1HB TYR 86 6.533 7.078 3.164 576 HB3 TYR 86 2HB TYR 86 7.103 8.281 4.315 577 HD1 TYR 86 1HD TYR 86 9.121 9.599 3.837 578 HD2 TYR 86 2HD TYR 86 7.560 6.837 1.003 579 HE1 TYR 86 1HE TYR 86 10.485 10.644 2.077 580 HE2 TYR 86 2HE TYR 86 8.919 7.873 -0.765 581 HH TYR 86 HH TYR 86 11.039 10.640 -0.069 582 H GLY 87 H GLY 87 10.593 5.831 4.712 583 HA2 GLY 87 1HA GLY 87 12.372 6.726 5.872 584 HA3 GLY 87 2HA GLY 87 11.399 8.162 6.152 585 H GLY 88 H GLY 88 10.311 4.976 7.088 586 HA2 GLY 88 1HA GLY 88 10.309 3.942 9.182 587 HA3 GLY 88 2HA GLY 88 11.188 5.317 9.835 588 H GLU 89 H GLU 89 8.729 6.641 8.149 589 HA GLU 89 HA GLU 89 6.942 6.635 10.493 590 HB2 GLU 89 1HB GLU 89 7.340 8.896 8.529 591 HB3 GLU 89 2HB GLU 89 6.356 8.930 9.985 592 HG2 GLU 89 1HG GLU 89 8.664 8.309 11.118 593 HG3 GLU 89 2HG GLU 89 9.298 9.099 9.675 594 H LEU 90 H LEU 90 4.911 5.996 10.171 595 HA LEU 90 HA LEU 90 4.044 4.879 7.762 596 HB2 LEU 90 1HB LEU 90 2.775 5.605 10.339 597 HB3 LEU 90 2HB LEU 90 1.705 5.310 8.969 598 HG LEU 90 HG LEU 90 3.759 3.329 9.942 599 HD11 LEU 90 1HD1 LEU 90 1.890 2.148 10.989 600 HD12 LEU 90 2HD1 LEU 90 0.814 3.482 10.573 601 HD13 LEU 90 3HD1 LEU 90 2.139 3.739 11.709 602 HD21 LEU 90 1HD2 LEU 90 2.517 3.433 7.543 603 HD22 LEU 90 2HD2 LEU 90 1.352 2.491 8.472 604 HD23 LEU 90 3HD2 LEU 90 3.022 1.939 8.333 605 H VAL 91 H VAL 91 2.453 5.543 6.263 606 HA VAL 91 HA VAL 91 2.448 8.424 5.805 607 HB VAL 91 HB VAL 91 1.162 7.528 3.655 608 HG11 VAL 91 1HG1 VAL 91 4.137 7.156 3.954 609 HG12 VAL 91 2HG1 VAL 91 3.243 7.551 2.484 610 HG13 VAL 91 3HG1 VAL 91 3.353 8.727 3.795 611 HG21 VAL 91 1HG2 VAL 91 2.955 5.189 4.154 612 HG22 VAL 91 2HG2 VAL 91 1.298 5.176 4.760 613 HG23 VAL 91 3HG2 VAL 91 1.604 5.345 3.031 614 HA PRO 92 HA PRO 92 -1.731 9.158 6.923 615 HB2 PRO 92 1HB PRO 92 -2.558 10.875 4.989 616 HB3 PRO 92 2HB PRO 92 -1.424 11.338 6.264 617 HG2 PRO 92 1HG PRO 92 -0.869 10.540 3.432 618 HG3 PRO 92 2HG PRO 92 -0.156 11.855 4.384 619 HD2 PRO 92 1HD PRO 92 1.107 9.493 3.986 620 HD3 PRO 92 2HD PRO 92 1.305 10.443 5.473 621 H HIS 93 H HIS 93 -0.970 7.271 4.348 622 HA HIS 93 HA HIS 93 -3.799 6.798 3.667 623 HB2 HIS 93 1HB HIS 93 -1.421 6.149 1.919 624 HB3 HIS 93 2HB HIS 93 -3.124 6.076 1.476 625 HD1 HIS 93 1HD HIS 93 -4.077 8.114 0.412 626 HD2 HIS 93 2HD HIS 93 -0.505 8.898 2.383 627 HE1 HIS 93 1HE HIS 93 -3.510 10.499 -0.147 628 HE2 HIS 93 2HE HIS 93 -1.302 10.924 0.987 629 H PHE 94 H PHE 94 -1.697 5.658 5.683 630 HA PHE 94 HA PHE 94 -2.646 2.929 5.453 631 HB2 PHE 94 1HB PHE 94 0.315 3.550 5.489 632 HB3 PHE 94 2HB PHE 94 -0.394 1.944 5.623 633 HD1 PHE 94 2HD PHE 94 -0.317 4.899 3.359 634 HD2 PHE 94 1HD PHE 94 -0.690 0.675 3.721 635 HE1 PHE 94 2HE PHE 94 -0.292 4.691 0.908 636 HE2 PHE 94 1HE PHE 94 -0.665 0.459 1.270 637 HZ PHE 94 HZ PHE 94 -0.467 2.469 -0.140 638 HA PRO 95 HA PRO 95 -1.874 0.956 6.489 639 HB2 PRO 95 1HB PRO 95 -3.536 -0.415 8.141 640 HB3 PRO 95 2HB PRO 95 -1.789 -0.323 8.395 641 HG2 PRO 95 1HG PRO 95 -3.978 1.246 9.703 642 HG3 PRO 95 2HG PRO 95 -2.539 0.510 10.433 643 HD2 PRO 95 1HD PRO 95 -2.690 3.150 9.853 644 HD3 PRO 95 2HD PRO 95 -1.166 2.242 9.777 645 H ALA 96 H ALA 96 -3.462 0.169 5.118 646 HA ALA 96 HA ALA 96 -6.120 1.418 5.309 647 HB1 ALA 96 1HB ALA 96 -6.158 2.008 3.053 648 HB2 ALA 96 2HB ALA 96 -4.537 2.462 3.581 649 HB3 ALA 96 3HB ALA 96 -4.781 0.976 2.663 650 H ARG 97 H ARG 97 -7.786 0.056 5.081 651 HA ARG 97 HA ARG 97 -7.191 -2.743 4.497 652 HB2 ARG 97 1HB ARG 97 -9.330 -3.247 5.483 653 HB3 ARG 97 2HB ARG 97 -8.471 -2.137 6.543 654 HG2 ARG 97 1HG ARG 97 -10.478 -1.110 6.576 655 HG3 ARG 97 2HG ARG 97 -9.852 -0.361 5.106 656 HD2 ARG 97 1HD ARG 97 -11.138 -1.707 3.721 657 HD3 ARG 97 2HD ARG 97 -11.358 -2.941 4.961 658 HE ARG 97 HE ARG 97 -12.565 -0.408 5.601 659 HH11 ARG 97 1HH1 ARG 97 -12.990 -3.473 4.005 660 HH12 ARG 97 2HH1 ARG 97 -14.720 -3.431 4.101 661 HH21 ARG 97 1HH2 ARG 97 -14.842 -0.341 5.734 662 HH22 ARG 97 2HH2 ARG 97 -15.772 -1.649 5.084 663 H VAL 98 H VAL 98 -7.919 -3.813 2.744 664 HA VAL 98 HA VAL 98 -9.874 -2.502 0.993 665 HB VAL 98 HB VAL 98 -7.268 -3.681 0.017 666 HG11 VAL 98 1HG1 VAL 98 -9.769 -3.291 -1.286 667 HG12 VAL 98 2HG1 VAL 98 -8.596 -2.162 -1.966 668 HG13 VAL 98 3HG1 VAL 98 -8.255 -3.892 -1.959 669 HG21 VAL 98 1HG2 VAL 98 -7.548 -1.250 1.146 670 HG22 VAL 98 2HG2 VAL 98 -6.395 -1.604 -0.140 671 HG23 VAL 98 3HG2 VAL 98 -7.948 -0.865 -0.528 672 H LYS 99 H LYS 99 -11.451 -3.854 0.466 673 HA LYS 99 HA LYS 99 -11.304 -6.636 1.136 674 HB2 LYS 99 1HB LYS 99 -13.380 -5.303 1.371 675 HB3 LYS 99 2HB LYS 99 -13.450 -5.135 -0.378 676 HG2 LYS 99 1HG LYS 99 -13.652 -7.577 -0.585 677 HG3 LYS 99 2HG LYS 99 -13.644 -7.708 1.176 678 HD2 LYS 99 1HD LYS 99 -15.641 -5.997 -0.277 679 HD3 LYS 99 2HD LYS 99 -15.915 -7.720 -0.008 680 HE2 LYS 99 1HE LYS 99 -16.958 -6.767 1.821 681 HE3 LYS 99 2HE LYS 99 -15.365 -7.158 2.465 682 HZ1 LYS 99 1HZ LYS 99 -15.655 -4.522 1.274 683 HZ2 LYS 99 2HZ LYS 99 -14.815 -4.997 2.663 684 HZ3 LYS 99 3HZ LYS 99 -16.491 -4.774 2.724 685 H VAL 100 H VAL 100 -10.405 -8.140 -0.093 686 HA VAL 100 HA VAL 100 -10.205 -7.691 -2.988 687 HB VAL 100 HB VAL 100 -8.669 -9.498 -1.128 688 HG11 VAL 100 1HG1 VAL 100 -8.517 -10.931 -2.841 689 HG12 VAL 100 2HG1 VAL 100 -9.147 -9.758 -3.999 690 HG13 VAL 100 3HG1 VAL 100 -7.439 -9.734 -3.559 691 HG21 VAL 100 1HG2 VAL 100 -7.125 -7.899 -1.148 692 HG22 VAL 100 2HG2 VAL 100 -7.123 -7.853 -2.911 693 HG23 VAL 100 3HG2 VAL 100 -8.272 -6.869 -2.004 694 H GLU 101 H GLU 101 -11.183 -8.992 -4.433 695 HA GLU 101 HA GLU 101 -12.960 -11.062 -3.378 696 HB2 GLU 101 1HB GLU 101 -12.886 -9.450 -5.901 697 HB3 GLU 101 2HB GLU 101 -13.759 -10.975 -5.873 698 HG2 GLU 101 1HG GLU 101 -15.016 -10.098 -3.882 699 HG3 GLU 101 2HG GLU 101 -14.271 -8.533 -4.202 700 HA PRO 102 HA PRO 102 -10.628 -14.442 -4.924 701 HB2 PRO 102 1HB PRO 102 -12.599 -16.165 -5.645 702 HB3 PRO 102 2HB PRO 102 -12.199 -15.814 -3.959 703 HG2 PRO 102 1HG PRO 102 -14.402 -14.703 -5.653 704 HG3 PRO 102 2HG PRO 102 -14.454 -15.247 -3.966 705 HD2 PRO 102 1HD PRO 102 -14.295 -12.632 -4.648 706 HD3 PRO 102 2HD PRO 102 -13.553 -13.280 -3.172 707 H ALA 103 H ALA 103 -10.014 -15.581 -6.820 708 HA ALA 103 HA ALA 103 -10.541 -14.119 -9.255 709 HB1 ALA 103 1HB ALA 103 -8.293 -15.148 -8.412 710 HB2 ALA 103 2HB ALA 103 -8.902 -16.611 -9.186 711 HB3 ALA 103 3HB ALA 103 -8.676 -15.141 -10.134 712 H VAL 104 H VAL 104 -12.891 -15.223 -8.487 713 HA VAL 104 HA VAL 104 -13.392 -17.802 -9.560 714 HB VAL 104 HB VAL 104 -15.765 -17.251 -9.339 715 HG11 VAL 104 1HG1 VAL 104 -15.817 -16.909 -6.949 716 HG12 VAL 104 2HG1 VAL 104 -14.451 -17.946 -7.364 717 HG13 VAL 104 3HG1 VAL 104 -14.183 -16.245 -6.976 718 HG21 VAL 104 1HG2 VAL 104 -15.239 -14.774 -10.027 719 HG22 VAL 104 2HG2 VAL 104 -16.609 -15.144 -8.980 720 HG23 VAL 104 3HG2 VAL 104 -15.105 -14.542 -8.283 721 H ASP 105 H ASP 105 -12.702 -14.918 -11.072 722 HA ASP 105 HA ASP 105 -14.455 -15.195 -13.339 723 HB2 ASP 105 1HB ASP 105 -12.115 -13.401 -12.717 724 HB3 ASP 105 2HB ASP 105 -12.884 -13.406 -14.302 725 H THR 106 H THR 106 -10.963 -15.609 -12.788 726 HA THR 106 HA THR 106 -10.731 -16.984 -15.359 727 HB THR 106 HB THR 106 -8.572 -16.139 -13.417 728 HG1 THR 106 1HG THR 106 -9.733 -14.435 -14.571 729 HG21 THR 106 1HG2 THR 106 -8.548 -17.849 -15.772 730 HG22 THR 106 2HG2 THR 106 -7.300 -17.590 -14.553 731 HG23 THR 106 3HG2 THR 106 -7.445 -16.482 -15.917 732 H SER 107 H SER 107 -10.439 -19.123 -15.552 733 HA SER 107 HA SER 107 -10.291 -20.696 -13.074 734 HB2 SER 107 1HB SER 107 -12.253 -21.047 -14.603 735 HB3 SER 107 2HB SER 107 -11.128 -21.647 -15.822 736 HG SER 107 HG SER 107 -10.999 -22.779 -13.278 737 H SER 108 H SER 108 -7.913 -19.608 -13.900 738 HA SER 108 HA SER 108 -6.445 -21.442 -15.550 739 HB2 SER 108 1HB SER 108 -5.693 -19.188 -15.603 740 HB3 SER 108 2HB SER 108 -5.637 -19.087 -13.843 741 HG SER 108 HG SER 108 -4.039 -20.938 -15.247 742 H GLY 109 H GLY 109 -4.853 -22.905 -14.918 743 HA2 GLY 109 1HA GLY 109 -3.893 -23.339 -12.345 744 HA3 GLY 109 2HA GLY 109 -5.355 -24.302 -12.502 745 HA PRO 110 HA PRO 110 -3.257 -27.492 -14.650 746 HB2 PRO 110 1HB PRO 110 -4.781 -28.007 -16.837 747 HB3 PRO 110 2HB PRO 110 -5.284 -28.427 -15.195 748 HG2 PRO 110 1HG PRO 110 -6.066 -26.074 -16.873 749 HG3 PRO 110 2HG PRO 110 -7.081 -27.100 -15.843 750 HD2 PRO 110 1HD PRO 110 -6.197 -24.666 -15.054 751 HD3 PRO 110 2HD PRO 110 -6.453 -26.004 -13.916 752 H SER 111 H SER 111 -3.841 -24.559 -16.387 753 HA SER 111 HA SER 111 -1.733 -25.263 -18.322 754 HB2 SER 111 1HB SER 111 -2.697 -23.475 -19.760 755 HB3 SER 111 2HB SER 111 -3.841 -24.776 -19.431 756 HG SER 111 HG SER 111 -4.671 -23.403 -17.723 757 H SER 112 H SER 112 0.166 -24.387 -17.875 758 HA SER 112 HA SER 112 0.262 -21.888 -16.338 759 HB2 SER 112 1HB SER 112 2.284 -24.082 -16.791 760 HB3 SER 112 2HB SER 112 2.723 -22.530 -16.077 761 HG SER 112 HG SER 112 1.825 -23.125 -14.272 762 H GLY 113 H GLY 113 0.669 -20.056 -17.371 763 HA2 GLY 113 1HA GLY 113 2.520 -20.059 -19.637 764 HA3 GLY 113 2HA GLY 113 0.891 -19.468 -19.929 Start of MODEL 8 1 H1 GLY 1 H GLY 1 24.778 14.676 3.062 2 HA2 GLY 1 1HA GLY 1 22.151 13.706 3.856 3 HA3 GLY 1 2HA GLY 1 22.636 15.386 3.686 4 H SER 2 H SER 2 20.305 13.774 2.650 5 HA SER 2 HA SER 2 20.648 14.421 -0.206 6 HB2 SER 2 1HB SER 2 18.877 12.303 1.039 7 HB3 SER 2 2HB SER 2 18.951 12.686 -0.681 8 HG SER 2 HG SER 2 21.378 12.267 -0.197 9 H SER 3 H SER 3 19.963 16.584 0.221 10 HA SER 3 HA SER 3 17.529 17.253 1.465 11 HB2 SER 3 1HB SER 3 19.292 18.908 1.108 12 HB3 SER 3 2HB SER 3 19.097 18.767 -0.639 13 HG SER 3 HG SER 3 17.150 19.699 1.207 14 H GLY 4 H GLY 4 15.527 17.892 0.573 15 HA2 GLY 4 1HA GLY 4 15.033 16.938 -2.177 16 HA3 GLY 4 2HA GLY 4 13.961 16.497 -0.856 17 H SER 5 H SER 5 14.952 19.011 -3.036 18 HA SER 5 HA SER 5 13.973 20.961 -3.678 19 HB2 SER 5 1HB SER 5 11.947 19.333 -3.665 20 HB3 SER 5 2HB SER 5 11.475 20.185 -2.195 21 HG SER 5 HG SER 5 10.554 21.100 -4.097 22 H SER 6 H SER 6 15.475 20.921 -1.269 23 HA SER 6 HA SER 6 15.937 22.163 0.584 24 HB2 SER 6 1HB SER 6 15.636 23.919 -1.280 25 HB3 SER 6 2HB SER 6 14.081 24.263 -0.523 26 HG SER 6 HG SER 6 15.482 24.424 1.483 27 H GLY 7 H GLY 7 13.906 20.308 0.975 28 HA2 GLY 7 1HA GLY 7 12.320 21.699 3.027 29 HA3 GLY 7 2HA GLY 7 11.517 20.623 1.894 30 HA PRO 8 HA PRO 8 13.621 18.400 5.627 31 HB2 PRO 8 1HB PRO 8 11.711 18.597 7.546 32 HB3 PRO 8 2HB PRO 8 13.036 19.757 7.387 33 HG2 PRO 8 1HG PRO 8 10.203 19.977 6.445 34 HG3 PRO 8 2HG PRO 8 11.216 21.197 7.237 35 HD2 PRO 8 1HD PRO 8 10.792 21.168 4.563 36 HD3 PRO 8 2HD PRO 8 12.312 21.737 5.283 37 H PHE 9 H PHE 9 13.044 16.295 6.290 38 HA PHE 9 HA PHE 9 11.352 14.890 4.546 39 HB2 PHE 9 1HB PHE 9 12.956 13.500 5.418 40 HB3 PHE 9 2HB PHE 9 12.871 14.230 7.018 41 HD1 PHE 9 1HD PHE 9 11.438 11.734 4.768 42 HD2 PHE 9 2HD PHE 9 11.255 13.478 8.646 43 HE1 PHE 9 1HE PHE 9 10.046 9.858 5.542 44 HE2 PHE 9 2HE PHE 9 9.864 11.605 9.427 45 HZ PHE 9 HZ PHE 9 9.258 9.791 7.874 46 H ASP 10 H ASP 10 9.278 14.205 4.680 47 HA ASP 10 HA ASP 10 7.782 14.325 7.134 48 HB2 ASP 10 1HB ASP 10 7.362 16.356 4.958 49 HB3 ASP 10 2HB ASP 10 6.022 15.852 5.984 50 HA PRO 11 HA PRO 11 6.112 10.955 4.707 51 HB2 PRO 11 1HB PRO 11 4.660 9.888 6.738 52 HB3 PRO 11 2HB PRO 11 6.404 9.651 6.576 53 HG2 PRO 11 1HG PRO 11 4.906 11.575 8.313 54 HG3 PRO 11 2HG PRO 11 6.316 10.575 8.709 55 HD2 PRO 11 1HD PRO 11 6.520 13.207 8.107 56 HD3 PRO 11 2HD PRO 11 7.791 12.034 7.705 57 H SER 12 H SER 12 4.387 13.392 6.499 58 HA SER 12 HA SER 12 1.761 12.662 5.703 59 HB2 SER 12 1HB SER 12 2.278 14.140 7.646 60 HB3 SER 12 2HB SER 12 2.766 15.400 6.513 61 HG SER 12 HG SER 12 0.726 15.914 6.617 62 H LYS 13 H LYS 13 4.337 14.378 4.170 63 HA LYS 13 HA LYS 13 2.736 15.767 2.250 64 HB2 LYS 13 1HB LYS 13 5.682 15.102 2.319 65 HB3 LYS 13 2HB LYS 13 4.932 16.091 1.073 66 HG2 LYS 13 1HG LYS 13 4.819 16.752 4.004 67 HG3 LYS 13 2HG LYS 13 6.066 17.356 2.910 68 HD2 LYS 13 1HD LYS 13 4.364 18.429 1.539 69 HD3 LYS 13 2HD LYS 13 3.095 17.785 2.584 70 HE2 LYS 13 1HE LYS 13 5.288 19.463 3.734 71 HE3 LYS 13 2HE LYS 13 3.928 20.228 2.913 72 HZ1 LYS 13 1HZ LYS 13 4.038 18.981 5.500 73 HZ2 LYS 13 2HZ LYS 13 2.726 18.459 4.570 74 HZ3 LYS 13 3HZ LYS 13 2.933 20.108 4.889 75 H VAL 14 H VAL 14 4.061 12.581 2.502 76 HA VAL 14 HA VAL 14 4.047 11.911 -0.256 77 HB VAL 14 HB VAL 14 3.855 10.125 2.174 78 HG11 VAL 14 1HG1 VAL 14 4.897 8.523 0.323 79 HG12 VAL 14 2HG1 VAL 14 3.156 8.661 0.579 80 HG13 VAL 14 3HG1 VAL 14 3.928 9.550 -0.734 81 HG21 VAL 14 1HG2 VAL 14 6.163 11.102 0.511 82 HG22 VAL 14 2HG2 VAL 14 5.916 11.275 2.249 83 HG23 VAL 14 3HG2 VAL 14 6.278 9.691 1.563 84 H VAL 15 H VAL 15 2.418 11.396 -1.565 85 HA VAL 15 HA VAL 15 -0.214 10.835 -0.358 86 HB VAL 15 HB VAL 15 0.359 12.168 -3.009 87 HG11 VAL 15 1HG1 VAL 15 -2.308 11.844 -1.655 88 HG12 VAL 15 2HG1 VAL 15 -1.978 12.394 -3.299 89 HG13 VAL 15 3HG1 VAL 15 -1.702 10.708 -2.859 90 HG21 VAL 15 1HG2 VAL 15 -1.151 13.852 -1.376 91 HG22 VAL 15 2HG2 VAL 15 0.111 13.204 -0.329 92 HG23 VAL 15 3HG2 VAL 15 0.545 14.040 -1.820 93 H ALA 16 H ALA 16 -1.016 8.884 -0.739 94 HA ALA 16 HA ALA 16 -0.031 7.393 -3.084 95 HB1 ALA 16 1HB ALA 16 0.547 6.640 -0.635 96 HB2 ALA 16 2HB ALA 16 -1.080 5.961 -0.692 97 HB3 ALA 16 3HB ALA 16 0.128 5.455 -1.872 98 H SER 17 H SER 17 -1.496 6.506 -4.434 99 HA SER 17 HA SER 17 -4.258 6.163 -3.624 100 HB2 SER 17 1HB SER 17 -5.091 7.514 -5.582 101 HB3 SER 17 2HB SER 17 -4.359 8.469 -4.292 102 HG SER 17 HG SER 17 -2.360 8.024 -5.764 103 H GLY 18 H GLY 18 -5.553 5.491 -5.749 104 HA2 GLY 18 1HA GLY 18 -4.972 4.417 -7.992 105 HA3 GLY 18 2HA GLY 18 -3.887 3.422 -7.031 106 HA PRO 19 HA PRO 19 -8.235 1.564 -7.356 107 HB2 PRO 19 1HB PRO 19 -7.603 -0.540 -8.950 108 HB3 PRO 19 2HB PRO 19 -8.128 1.023 -9.587 109 HG2 PRO 19 1HG PRO 19 -5.358 -0.080 -9.320 110 HG3 PRO 19 2HG PRO 19 -6.082 0.809 -10.672 111 HD2 PRO 19 1HD PRO 19 -4.447 1.986 -8.863 112 HD3 PRO 19 2HD PRO 19 -5.779 2.854 -9.653 113 H GLY 20 H GLY 20 -4.996 0.301 -6.883 114 HA2 GLY 20 1HA GLY 20 -5.658 -2.174 -5.723 115 HA3 GLY 20 2HA GLY 20 -4.161 -1.293 -5.459 116 H LEU 21 H LEU 21 -5.534 1.056 -4.373 117 HA LEU 21 HA LEU 21 -5.774 0.103 -1.653 118 HB2 LEU 21 1HB LEU 21 -5.492 2.735 -2.988 119 HB3 LEU 21 2HB LEU 21 -6.266 2.710 -1.405 120 HG LEU 21 HG LEU 21 -3.626 1.362 -1.741 121 HD11 LEU 21 1HD1 LEU 21 -3.347 4.100 -0.875 122 HD12 LEU 21 2HD1 LEU 21 -3.976 4.008 -2.519 123 HD13 LEU 21 3HD1 LEU 21 -2.456 3.212 -2.111 124 HD21 LEU 21 1HD2 LEU 21 -4.862 1.165 0.360 125 HD22 LEU 21 2HD2 LEU 21 -4.905 2.922 0.503 126 HD23 LEU 21 3HD2 LEU 21 -3.363 2.068 0.577 127 H GLU 22 H GLU 22 -7.875 0.398 -4.182 128 HA GLU 22 HA GLU 22 -10.162 1.080 -2.467 129 HB2 GLU 22 1HB GLU 22 -10.130 0.843 -5.477 130 HB3 GLU 22 2HB GLU 22 -11.402 1.530 -4.476 131 HG2 GLU 22 1HG GLU 22 -9.480 3.155 -3.724 132 HG3 GLU 22 2HG GLU 22 -8.782 2.681 -5.272 133 H HIS 23 H HIS 23 -8.775 -1.431 -4.457 134 HA HIS 23 HA HIS 23 -10.205 -3.488 -3.177 135 HB2 HIS 23 1HB HIS 23 -11.526 -4.251 -5.202 136 HB3 HIS 23 2HB HIS 23 -12.149 -2.825 -4.379 137 HD1 HIS 23 1HD HIS 23 -10.836 -4.000 -7.621 138 HD2 HIS 23 2HD HIS 23 -11.757 -0.377 -5.808 139 HE1 HIS 23 1HE HIS 23 -10.905 -2.313 -9.485 140 HE2 HIS 23 2HE HIS 23 -11.380 -0.114 -8.353 141 H GLY 24 H GLY 24 -9.848 -5.637 -4.268 142 HA2 GLY 24 1HA GLY 24 -7.693 -5.681 -6.226 143 HA3 GLY 24 2HA GLY 24 -7.297 -6.312 -4.634 144 H LYS 25 H LYS 25 -6.948 -8.069 -6.526 145 HA LYS 25 HA LYS 25 -9.121 -9.967 -6.112 146 HB2 LYS 25 1HB LYS 25 -9.367 -8.675 -8.352 147 HB3 LYS 25 2HB LYS 25 -8.009 -9.657 -8.885 148 HG2 LYS 25 1HG LYS 25 -9.401 -11.668 -8.152 149 HG3 LYS 25 2HG LYS 25 -10.760 -10.543 -8.090 150 HD2 LYS 25 1HD LYS 25 -9.069 -10.598 -10.541 151 HD3 LYS 25 2HD LYS 25 -10.209 -11.919 -10.275 152 HE2 LYS 25 1HE LYS 25 -11.303 -10.248 -11.590 153 HE3 LYS 25 2HE LYS 25 -12.003 -10.214 -9.973 154 HZ1 LYS 25 1HZ LYS 25 -11.368 -8.011 -11.109 155 HZ2 LYS 25 2HZ LYS 25 -9.785 -8.404 -10.664 156 HZ3 LYS 25 3HZ LYS 25 -10.977 -8.225 -9.477 157 H VAL 26 H VAL 26 -8.457 -12.075 -6.010 158 HA VAL 26 HA VAL 26 -5.817 -12.646 -5.351 159 HB VAL 26 HB VAL 26 -8.050 -14.455 -6.255 160 HG11 VAL 26 1HG1 VAL 26 -5.350 -15.274 -5.188 161 HG12 VAL 26 2HG1 VAL 26 -6.706 -16.352 -5.523 162 HG13 VAL 26 3HG1 VAL 26 -5.912 -15.494 -6.845 163 HG21 VAL 26 1HG2 VAL 26 -7.799 -13.118 -3.944 164 HG22 VAL 26 2HG2 VAL 26 -8.567 -14.701 -4.064 165 HG23 VAL 26 3HG2 VAL 26 -6.888 -14.573 -3.541 166 H GLY 27 H GLY 27 -4.062 -12.645 -6.584 167 HA2 GLY 27 1HA GLY 27 -2.741 -13.578 -8.325 168 HA3 GLY 27 2HA GLY 27 -4.208 -13.851 -9.254 169 H GLU 28 H GLU 28 -5.036 -11.012 -8.481 170 HA GLU 28 HA GLU 28 -3.890 -9.766 -10.814 171 HB2 GLU 28 1HB GLU 28 -6.034 -9.054 -8.853 172 HB3 GLU 28 2HB GLU 28 -5.350 -7.791 -9.868 173 HG2 GLU 28 1HG GLU 28 -6.528 -10.343 -10.935 174 HG3 GLU 28 2HG GLU 28 -7.429 -8.839 -10.752 175 H ALA 29 H ALA 29 -3.462 -7.240 -10.420 176 HA ALA 29 HA ALA 29 -1.528 -7.039 -8.204 177 HB1 ALA 29 1HB ALA 29 -0.922 -7.061 -10.913 178 HB2 ALA 29 2HB ALA 29 -0.852 -5.358 -10.459 179 HB3 ALA 29 3HB ALA 29 0.133 -6.542 -9.599 180 H GLY 30 H GLY 30 -1.785 -5.345 -6.890 181 HA2 GLY 30 1HA GLY 30 -3.909 -3.456 -7.440 182 HA3 GLY 30 2HA GLY 30 -2.978 -3.580 -5.954 183 H LEU 31 H LEU 31 -3.334 -1.979 -8.963 184 HA LEU 31 HA LEU 31 -0.786 -0.810 -9.213 185 HB2 LEU 31 1HB LEU 31 -3.484 0.194 -10.104 186 HB3 LEU 31 2HB LEU 31 -1.942 0.886 -10.603 187 HG LEU 31 HG LEU 31 -2.882 -1.917 -11.213 188 HD11 LEU 31 1HD1 LEU 31 -2.540 0.348 -13.154 189 HD12 LEU 31 2HD1 LEU 31 -4.076 0.019 -12.352 190 HD13 LEU 31 3HD1 LEU 31 -3.348 -1.200 -13.397 191 HD21 LEU 31 1HD2 LEU 31 -0.299 -0.591 -11.391 192 HD22 LEU 31 2HD2 LEU 31 -0.840 -1.246 -12.937 193 HD23 LEU 31 3HD2 LEU 31 -0.707 -2.301 -11.530 194 H LEU 32 H LEU 32 0.195 0.519 -7.852 195 HA LEU 32 HA LEU 32 -1.413 2.539 -6.444 196 HB2 LEU 32 1HB LEU 32 0.881 0.986 -5.255 197 HB3 LEU 32 2HB LEU 32 -0.049 2.250 -4.453 198 HG LEU 32 HG LEU 32 -1.100 -0.448 -5.304 199 HD11 LEU 32 1HD1 LEU 32 0.092 0.588 -2.817 200 HD12 LEU 32 2HD1 LEU 32 0.008 -1.059 -3.440 201 HD13 LEU 32 3HD1 LEU 32 -1.390 -0.350 -2.631 202 HD21 LEU 32 1HD2 LEU 32 -2.400 2.035 -4.450 203 HD22 LEU 32 2HD2 LEU 32 -2.892 0.604 -3.543 204 HD23 LEU 32 3HD2 LEU 32 -3.061 0.639 -5.299 205 H SER 33 H SER 33 -0.611 4.560 -6.480 206 HA SER 33 HA SER 33 2.145 4.930 -7.451 207 HB2 SER 33 1HB SER 33 -0.402 6.186 -8.398 208 HB3 SER 33 2HB SER 33 1.090 7.125 -8.463 209 HG SER 33 HG SER 33 1.859 4.971 -9.492 210 H VAL 34 H VAL 34 3.372 6.064 -6.111 211 HA VAL 34 HA VAL 34 2.067 7.687 -4.037 212 HB VAL 34 HB VAL 34 4.884 6.597 -4.121 213 HG11 VAL 34 1HG1 VAL 34 3.879 8.760 -2.681 214 HG12 VAL 34 2HG1 VAL 34 3.912 7.421 -1.532 215 HG13 VAL 34 3HG1 VAL 34 5.385 7.891 -2.383 216 HG21 VAL 34 1HG2 VAL 34 3.020 5.701 -2.037 217 HG22 VAL 34 2HG2 VAL 34 2.618 5.172 -3.670 218 HG23 VAL 34 3HG2 VAL 34 4.194 4.785 -2.981 219 H ASP 35 H ASP 35 1.924 9.765 -4.575 220 HA ASP 35 HA ASP 35 4.018 10.992 -6.206 221 HB2 ASP 35 1HB ASP 35 1.190 11.699 -5.533 222 HB3 ASP 35 2HB ASP 35 2.298 12.982 -6.012 223 H CYS 36 H CYS 36 5.706 11.657 -5.032 224 HA CYS 36 HA CYS 36 5.251 12.868 -2.408 225 HB2 CYS 36 1HB CYS 36 7.610 12.581 -2.020 226 HB3 CYS 36 2HB CYS 36 6.973 11.077 -2.675 227 HG CYS 36 HG CYS 36 8.701 13.409 -4.490 228 H SER 37 H SER 37 6.002 14.925 -1.865 229 HA SER 37 HA SER 37 6.862 16.628 -4.102 230 HB2 SER 37 1HB SER 37 4.375 16.843 -3.534 231 HB3 SER 37 2HB SER 37 4.897 17.572 -2.016 232 HG SER 37 HG SER 37 5.929 18.547 -4.435 233 H GLU 38 H GLU 38 6.264 16.807 -0.586 234 HA GLU 38 HA GLU 38 8.943 18.001 -0.298 235 HB2 GLU 38 1HB GLU 38 6.334 18.738 0.983 236 HB3 GLU 38 2HB GLU 38 7.846 19.064 1.818 237 HG2 GLU 38 1HG GLU 38 6.954 20.139 -0.843 238 HG3 GLU 38 2HG GLU 38 7.208 21.035 0.654 239 H ALA 39 H ALA 39 7.991 15.184 -0.097 240 HA ALA 39 HA ALA 39 7.999 14.451 2.659 241 HB1 ALA 39 1HB ALA 39 6.931 12.913 1.279 242 HB2 ALA 39 2HB ALA 39 8.236 12.924 0.092 243 HB3 ALA 39 3HB ALA 39 8.468 12.129 1.649 244 H GLY 40 H GLY 40 10.390 15.777 0.913 245 HA2 GLY 40 1HA GLY 40 12.689 15.775 1.010 246 HA3 GLY 40 2HA GLY 40 12.434 15.371 2.702 247 HA PRO 41 HA PRO 41 14.880 11.914 0.932 248 HB2 PRO 41 1HB PRO 41 16.353 11.527 3.180 249 HB3 PRO 41 2HB PRO 41 16.772 12.728 1.952 250 HG2 PRO 41 1HG PRO 41 15.360 13.104 4.565 251 HG3 PRO 41 2HG PRO 41 16.629 14.097 3.826 252 HD2 PRO 41 1HD PRO 41 14.010 14.776 3.733 253 HD3 PRO 41 2HD PRO 41 15.147 15.178 2.430 254 H GLY 42 H GLY 42 15.458 9.761 2.249 255 HA2 GLY 42 1HA GLY 42 14.590 8.328 4.069 256 HA3 GLY 42 2HA GLY 42 13.002 8.983 3.699 257 H ALA 43 H ALA 43 13.247 6.307 3.776 258 HA ALA 43 HA ALA 43 13.296 5.510 0.937 259 HB1 ALA 43 1HB ALA 43 13.580 3.150 2.038 260 HB2 ALA 43 2HB ALA 43 14.970 4.216 1.827 261 HB3 ALA 43 3HB ALA 43 14.185 4.090 3.402 262 H LEU 44 H LEU 44 11.560 4.450 0.100 263 HA LEU 44 HA LEU 44 9.158 4.390 1.761 264 HB2 LEU 44 1HB LEU 44 8.864 5.542 -0.287 265 HB3 LEU 44 2HB LEU 44 9.619 4.241 -1.206 266 HG LEU 44 HG LEU 44 7.669 2.802 -0.685 267 HD11 LEU 44 1HD1 LEU 44 7.144 4.491 1.335 268 HD12 LEU 44 2HD1 LEU 44 5.934 3.435 0.607 269 HD13 LEU 44 3HD1 LEU 44 6.040 5.125 0.115 270 HD21 LEU 44 1HD2 LEU 44 7.903 4.301 -2.739 271 HD22 LEU 44 2HD2 LEU 44 6.737 5.362 -1.948 272 HD23 LEU 44 3HD2 LEU 44 6.290 3.703 -2.350 273 H GLY 45 H GLY 45 7.996 2.564 2.198 274 HA2 GLY 45 1HA GLY 45 8.701 0.043 0.937 275 HA3 GLY 45 2HA GLY 45 9.089 0.161 2.647 276 H LEU 46 H LEU 46 6.916 -1.107 0.657 277 HA LEU 46 HA LEU 46 4.640 -0.607 2.458 278 HB2 LEU 46 1HB LEU 46 4.193 0.083 0.184 279 HB3 LEU 46 2HB LEU 46 4.679 -1.499 -0.421 280 HG LEU 46 HG LEU 46 2.686 -2.278 1.165 281 HD11 LEU 46 1HD1 LEU 46 2.343 0.615 0.854 282 HD12 LEU 46 2HD1 LEU 46 1.655 -0.492 2.041 283 HD13 LEU 46 3HD1 LEU 46 0.920 -0.343 0.445 284 HD21 LEU 46 1HD2 LEU 46 1.819 -2.907 -0.785 285 HD22 LEU 46 2HD2 LEU 46 3.115 -1.998 -1.563 286 HD23 LEU 46 3HD2 LEU 46 1.548 -1.237 -1.283 287 H GLU 47 H GLU 47 3.460 -2.338 3.258 288 HA GLU 47 HA GLU 47 4.516 -5.026 2.717 289 HB2 GLU 47 1HB GLU 47 5.455 -4.077 4.849 290 HB3 GLU 47 2HB GLU 47 3.815 -4.026 5.479 291 HG2 GLU 47 1HG GLU 47 3.638 -6.338 5.566 292 HG3 GLU 47 2HG GLU 47 4.968 -6.579 4.434 293 H ALA 48 H ALA 48 2.857 -6.009 1.750 294 HA ALA 48 HA ALA 48 0.131 -5.516 2.700 295 HB1 ALA 48 1HB ALA 48 -0.478 -6.856 0.628 296 HB2 ALA 48 2HB ALA 48 0.269 -5.279 0.365 297 HB3 ALA 48 3HB ALA 48 1.227 -6.749 0.190 298 H VAL 49 H VAL 49 -0.759 -6.874 4.097 299 HA VAL 49 HA VAL 49 -0.179 -9.734 3.901 300 HB VAL 49 HB VAL 49 0.230 -8.063 6.370 301 HG11 VAL 49 1HG1 VAL 49 -1.153 -9.793 7.175 302 HG12 VAL 49 2HG1 VAL 49 -0.355 -11.006 6.172 303 HG13 VAL 49 3HG1 VAL 49 0.496 -10.297 7.545 304 HG21 VAL 49 1HG2 VAL 49 1.990 -10.287 5.443 305 HG22 VAL 49 2HG2 VAL 49 2.056 -8.731 4.617 306 HG23 VAL 49 3HG2 VAL 49 2.402 -8.827 6.343 307 H SER 50 H SER 50 -1.859 -11.053 4.494 308 HA SER 50 HA SER 50 -4.423 -9.717 4.895 309 HB2 SER 50 1HB SER 50 -5.449 -11.676 4.082 310 HB3 SER 50 2HB SER 50 -3.980 -11.532 3.116 311 HG SER 50 HG SER 50 -3.199 -12.912 5.115 312 H ASP 51 H ASP 51 -5.971 -10.578 6.442 313 HA ASP 51 HA ASP 51 -5.124 -10.594 9.037 314 HB2 ASP 51 1HB ASP 51 -7.506 -10.448 8.203 315 HB3 ASP 51 2HB ASP 51 -7.492 -12.205 8.079 316 H SER 52 H SER 52 -4.893 -13.157 6.758 317 HA SER 52 HA SER 52 -4.557 -15.240 8.732 318 HB2 SER 52 1HB SER 52 -4.505 -15.101 5.745 319 HB3 SER 52 2HB SER 52 -3.740 -16.476 6.541 320 HG SER 52 HG SER 52 -6.386 -15.902 6.217 321 H GLY 53 H GLY 53 -2.720 -12.776 8.379 322 HA2 GLY 53 1HA GLY 53 -0.491 -12.318 8.678 323 HA3 GLY 53 2HA GLY 53 -0.357 -13.957 9.298 324 H THR 54 H THR 54 -1.391 -13.187 6.038 325 HA THR 54 HA THR 54 1.046 -14.500 5.038 326 HB THR 54 HB THR 54 -1.553 -14.144 3.542 327 HG1 THR 54 1HG THR 54 -0.606 -16.357 5.070 328 HG21 THR 54 1HG2 THR 54 0.221 -16.373 2.879 329 HG22 THR 54 2HG2 THR 54 0.946 -14.788 2.608 330 HG23 THR 54 3HG2 THR 54 -0.576 -15.208 1.823 331 H LYS 55 H LYS 55 2.516 -13.086 4.364 332 HA LYS 55 HA LYS 55 1.799 -10.448 3.463 333 HB2 LYS 55 1HB LYS 55 4.366 -10.431 2.948 334 HB3 LYS 55 2HB LYS 55 3.801 -10.393 4.614 335 HG2 LYS 55 1HG LYS 55 4.325 -12.663 4.952 336 HG3 LYS 55 2HG LYS 55 4.530 -12.952 3.223 337 HD2 LYS 55 1HD LYS 55 6.295 -11.240 4.973 338 HD3 LYS 55 2HD LYS 55 6.693 -12.834 4.328 339 HE2 LYS 55 1HE LYS 55 6.301 -11.801 2.025 340 HE3 LYS 55 2HE LYS 55 6.350 -10.242 2.846 341 HZ1 LYS 55 1HZ LYS 55 8.566 -10.806 3.667 342 HZ2 LYS 55 2HZ LYS 55 8.514 -10.809 1.977 343 HZ3 LYS 55 3HZ LYS 55 8.518 -12.273 2.825 344 H ALA 56 H ALA 56 1.160 -10.002 1.469 345 HA ALA 56 HA ALA 56 1.504 -11.868 -0.684 346 HB1 ALA 56 1HB ALA 56 0.285 -9.121 -0.535 347 HB2 ALA 56 2HB ALA 56 0.363 -10.064 -2.024 348 HB3 ALA 56 3HB ALA 56 -0.543 -10.675 -0.640 349 H GLU 57 H GLU 57 2.425 -11.260 -2.785 350 HA GLU 57 HA GLU 57 5.082 -10.318 -2.507 351 HB2 GLU 57 1HB GLU 57 3.966 -11.944 -4.266 352 HB3 GLU 57 2HB GLU 57 3.766 -10.458 -5.184 353 HG2 GLU 57 1HG GLU 57 6.171 -10.059 -5.067 354 HG3 GLU 57 2HG GLU 57 6.373 -11.548 -4.146 355 H VAL 58 H VAL 58 5.787 -8.298 -2.449 356 HA VAL 58 HA VAL 58 4.199 -6.208 -3.792 357 HB VAL 58 HB VAL 58 5.799 -5.875 -1.251 358 HG11 VAL 58 1HG1 VAL 58 4.961 -3.650 -1.172 359 HG12 VAL 58 2HG1 VAL 58 5.628 -3.894 -2.788 360 HG13 VAL 58 3HG1 VAL 58 3.882 -3.940 -2.537 361 HG21 VAL 58 1HG2 VAL 58 2.832 -6.127 -1.711 362 HG22 VAL 58 2HG2 VAL 58 3.864 -7.172 -0.734 363 HG23 VAL 58 3HG2 VAL 58 3.543 -5.516 -0.217 364 H SER 59 H SER 59 5.312 -4.578 -4.857 365 HA SER 59 HA SER 59 8.230 -4.713 -4.929 366 HB2 SER 59 1HB SER 59 7.692 -6.144 -6.761 367 HB3 SER 59 2HB SER 59 6.429 -5.053 -7.330 368 HG SER 59 HG SER 59 9.065 -5.049 -7.894 369 H ILE 60 H ILE 60 9.238 -2.806 -5.646 370 HA ILE 60 HA ILE 60 7.444 -0.485 -5.929 371 HB ILE 60 HB ILE 60 10.105 -0.487 -4.503 372 HG12 ILE 60 1HG1 ILE 60 7.395 -0.134 -3.232 373 HG13 ILE 60 2HG1 ILE 60 8.150 -1.717 -3.380 374 HG21 ILE 60 1HG2 ILE 60 8.406 1.729 -3.892 375 HG22 ILE 60 2HG2 ILE 60 10.017 1.727 -4.608 376 HG23 ILE 60 3HG2 ILE 60 8.593 1.598 -5.641 377 HD11 ILE 60 1HD1 ILE 60 8.449 -0.510 -1.183 378 HD12 ILE 60 2HD1 ILE 60 9.915 -1.119 -1.951 379 HD13 ILE 60 3HD1 ILE 60 9.516 0.596 -2.047 380 H GLN 61 H GLN 61 7.868 0.898 -7.555 381 HA GLN 61 HA GLN 61 10.277 0.376 -9.168 382 HB2 GLN 61 1HB GLN 61 7.992 -0.082 -10.191 383 HB3 GLN 61 2HB GLN 61 7.734 1.658 -10.158 384 HG2 GLN 61 1HG GLN 61 8.518 0.753 -12.342 385 HG3 GLN 61 2HG GLN 61 9.519 2.039 -11.670 386 HE21 GLN 61 1HE2 GLN 61 9.271 -1.499 -11.484 387 HE22 GLN 61 2HE2 GLN 61 10.965 -1.796 -11.646 388 H ASN 62 H ASN 62 11.773 1.901 -9.057 389 HA ASN 62 HA ASN 62 11.085 4.554 -8.091 390 HB2 ASN 62 1HB ASN 62 13.140 3.133 -7.384 391 HB3 ASN 62 2HB ASN 62 13.848 3.689 -8.898 392 HD21 ASN 62 1HD2 ASN 62 13.472 4.344 -5.671 393 HD22 ASN 62 2HD2 ASN 62 13.915 6.014 -5.677 394 H ASN 63 H ASN 63 10.779 6.262 -9.358 395 HA ASN 63 HA ASN 63 11.695 6.104 -12.155 396 HB2 ASN 63 1HB ASN 63 9.227 7.366 -10.963 397 HB3 ASN 63 2HB ASN 63 9.795 7.754 -12.585 398 HD21 ASN 63 1HD2 ASN 63 8.039 5.595 -10.661 399 HD22 ASN 63 2HD2 ASN 63 7.702 4.410 -11.872 400 H LYS 64 H LYS 64 12.410 8.051 -13.154 401 HA LYS 64 HA LYS 64 13.742 9.836 -11.278 402 HB2 LYS 64 1HB LYS 64 14.720 8.700 -13.458 403 HB3 LYS 64 2HB LYS 64 14.016 10.109 -14.240 404 HG2 LYS 64 1HG LYS 64 16.052 10.977 -13.823 405 HG3 LYS 64 2HG LYS 64 15.323 11.332 -12.255 406 HD2 LYS 64 1HD LYS 64 16.590 8.672 -12.593 407 HD3 LYS 64 2HD LYS 64 17.662 10.072 -12.502 408 HE2 LYS 64 1HE LYS 64 15.510 9.435 -10.488 409 HE3 LYS 64 2HE LYS 64 17.206 8.993 -10.304 410 HZ1 LYS 64 1HZ LYS 64 17.837 11.234 -10.169 411 HZ2 LYS 64 2HZ LYS 64 16.467 11.111 -9.184 412 HZ3 LYS 64 3HZ LYS 64 16.341 11.792 -10.727 413 H ASP 65 H ASP 65 10.989 10.174 -11.303 414 HA ASP 65 HA ASP 65 10.744 12.826 -12.562 415 HB2 ASP 65 1HB ASP 65 9.332 10.850 -13.533 416 HB3 ASP 65 2HB ASP 65 8.341 11.092 -12.096 417 H GLY 66 H GLY 66 9.670 10.708 -9.928 418 HA2 GLY 66 1HA GLY 66 10.017 11.922 -7.700 419 HA3 GLY 66 2HA GLY 66 8.919 13.108 -8.389 420 H THR 67 H THR 67 8.626 9.639 -8.841 421 HA THR 67 HA THR 67 6.499 9.463 -6.862 422 HB THR 67 HB THR 67 4.864 8.556 -8.447 423 HG1 THR 67 1HG THR 67 5.281 8.574 -10.644 424 HG21 THR 67 1HG2 THR 67 4.063 10.592 -9.159 425 HG22 THR 67 2HG2 THR 67 5.654 11.162 -9.665 426 HG23 THR 67 3HG2 THR 67 5.237 11.115 -7.952 427 H TYR 68 H TYR 68 5.618 7.184 -6.760 428 HA TYR 68 HA TYR 68 7.643 5.208 -7.561 429 HB2 TYR 68 1HB TYR 68 6.339 5.411 -4.839 430 HB3 TYR 68 2HB TYR 68 7.388 4.099 -5.364 431 HD1 TYR 68 2HD TYR 68 7.290 7.725 -4.623 432 HD2 TYR 68 1HD TYR 68 9.743 4.308 -5.266 433 HE1 TYR 68 2HE TYR 68 9.251 8.993 -3.849 434 HE2 TYR 68 1HE TYR 68 11.709 5.566 -4.493 435 HH TYR 68 HH TYR 68 11.510 9.004 -3.736 436 H ALA 69 H ALA 69 6.862 3.324 -8.329 437 HA ALA 69 HA ALA 69 3.945 3.061 -8.485 438 HB1 ALA 69 1HB ALA 69 4.207 2.233 -10.546 439 HB2 ALA 69 2HB ALA 69 5.845 2.880 -10.441 440 HB3 ALA 69 3HB ALA 69 5.541 1.186 -10.058 441 H VAL 70 H VAL 70 3.357 2.065 -6.603 442 HA VAL 70 HA VAL 70 4.754 -0.369 -5.786 443 HB VAL 70 HB VAL 70 2.693 1.360 -4.439 444 HG11 VAL 70 1HG1 VAL 70 3.623 -1.391 -3.640 445 HG12 VAL 70 2HG1 VAL 70 2.852 -0.260 -2.526 446 HG13 VAL 70 3HG1 VAL 70 1.971 -0.852 -3.936 447 HG21 VAL 70 1HG2 VAL 70 5.574 0.698 -4.022 448 HG22 VAL 70 2HG2 VAL 70 4.769 2.268 -4.012 449 HG23 VAL 70 3HG2 VAL 70 4.581 1.171 -2.643 450 H THR 71 H THR 71 3.806 -2.374 -5.701 451 HA THR 71 HA THR 71 1.031 -2.669 -6.558 452 HB THR 71 HB THR 71 3.047 -4.427 -7.897 453 HG1 THR 71 1HG THR 71 3.517 -2.071 -8.224 454 HG21 THR 71 1HG2 THR 71 0.642 -4.938 -8.039 455 HG22 THR 71 2HG2 THR 71 1.325 -4.546 -9.617 456 HG23 THR 71 3HG2 THR 71 0.357 -3.352 -8.754 457 H TYR 72 H TYR 72 0.125 -4.738 -6.086 458 HA TYR 72 HA TYR 72 1.739 -6.566 -4.483 459 HB2 TYR 72 1HB TYR 72 0.339 -6.513 -2.575 460 HB3 TYR 72 2HB TYR 72 0.652 -4.827 -2.970 461 HD1 TYR 72 2HD TYR 72 -1.873 -7.517 -3.115 462 HD2 TYR 72 1HD TYR 72 -1.117 -3.356 -3.584 463 HE1 TYR 72 2HE TYR 72 -4.294 -7.092 -3.190 464 HE2 TYR 72 1HE TYR 72 -3.537 -2.919 -3.659 465 HH TYR 72 HH TYR 72 -5.628 -4.006 -2.888 466 H VAL 73 H VAL 73 1.173 -8.651 -4.748 467 HA VAL 73 HA VAL 73 -1.282 -9.197 -6.286 468 HB VAL 73 HB VAL 73 1.298 -10.769 -6.261 469 HG11 VAL 73 1HG1 VAL 73 -0.024 -11.774 -8.339 470 HG12 VAL 73 2HG1 VAL 73 -0.189 -12.432 -6.710 471 HG13 VAL 73 3HG1 VAL 73 -1.407 -11.324 -7.342 472 HG21 VAL 73 1HG2 VAL 73 1.787 -9.897 -8.355 473 HG22 VAL 73 2HG2 VAL 73 0.125 -9.381 -8.641 474 HG23 VAL 73 3HG2 VAL 73 1.138 -8.500 -7.497 475 HA PRO 74 HA PRO 74 -2.232 -11.233 -2.352 476 HB2 PRO 74 1HB PRO 74 -4.901 -11.372 -2.831 477 HB3 PRO 74 2HB PRO 74 -4.108 -9.913 -2.224 478 HG2 PRO 74 1HG PRO 74 -4.939 -10.596 -5.018 479 HG3 PRO 74 2HG PRO 74 -5.110 -9.063 -4.143 480 HD2 PRO 74 1HD PRO 74 -3.141 -9.497 -5.951 481 HD3 PRO 74 2HD PRO 74 -2.922 -8.451 -4.533 482 H LEU 75 H LEU 75 -1.764 -13.336 -2.253 483 HA LEU 75 HA LEU 75 -2.324 -15.137 -4.414 484 HB2 LEU 75 1HB LEU 75 -1.307 -15.692 -1.630 485 HB3 LEU 75 2HB LEU 75 -1.314 -16.837 -2.970 486 HG LEU 75 HG LEU 75 0.224 -14.251 -3.049 487 HD11 LEU 75 1HD1 LEU 75 0.767 -16.635 -1.515 488 HD12 LEU 75 2HD1 LEU 75 1.622 -15.093 -1.544 489 HD13 LEU 75 3HD1 LEU 75 2.023 -16.345 -2.720 490 HD21 LEU 75 1HD2 LEU 75 -0.237 -15.294 -5.202 491 HD22 LEU 75 2HD2 LEU 75 0.434 -16.818 -4.621 492 HD23 LEU 75 3HD2 LEU 75 1.477 -15.407 -4.803 493 H THR 76 H THR 76 -3.963 -14.135 -1.577 494 HA THR 76 HA THR 76 -6.066 -16.106 -2.107 495 HB THR 76 HB THR 76 -4.661 -16.914 -0.188 496 HG1 THR 76 1HG THR 76 -7.402 -16.263 0.141 497 HG21 THR 76 1HG2 THR 76 -5.191 -15.696 2.009 498 HG22 THR 76 2HG2 THR 76 -5.628 -14.325 0.990 499 HG23 THR 76 3HG2 THR 76 -3.989 -14.972 0.942 500 H ALA 77 H ALA 77 -8.155 -15.429 -1.589 501 HA ALA 77 HA ALA 77 -8.549 -12.590 -1.625 502 HB1 ALA 77 1HB ALA 77 -10.832 -14.413 -1.117 503 HB2 ALA 77 2HB ALA 77 -10.700 -13.036 -2.211 504 HB3 ALA 77 3HB ALA 77 -9.975 -14.583 -2.649 505 H GLY 78 H GLY 78 -9.938 -11.436 -0.100 506 HA2 GLY 78 1HA GLY 78 -11.037 -11.790 2.186 507 HA3 GLY 78 2HA GLY 78 -9.445 -12.368 2.653 508 H MET 79 H MET 79 -10.172 -10.474 4.213 509 HA MET 79 HA MET 79 -9.742 -7.822 3.244 510 HB2 MET 79 1HB MET 79 -9.841 -8.945 6.046 511 HB3 MET 79 2HB MET 79 -9.711 -7.230 5.681 512 HG2 MET 79 1HG MET 79 -11.991 -9.061 4.977 513 HG3 MET 79 2HG MET 79 -11.992 -7.773 6.179 514 HE1 MET 79 1HE MET 79 -11.786 -4.560 3.991 515 HE2 MET 79 2HE MET 79 -11.932 -5.218 5.621 516 HE3 MET 79 3HE MET 79 -10.434 -5.432 4.714 517 H TYR 80 H TYR 80 -7.851 -6.948 2.749 518 HA TYR 80 HA TYR 80 -5.404 -8.122 3.855 519 HB2 TYR 80 1HB TYR 80 -6.077 -6.640 1.367 520 HB3 TYR 80 2HB TYR 80 -4.460 -6.413 2.023 521 HD1 TYR 80 2HD TYR 80 -6.782 -8.805 0.502 522 HD2 TYR 80 1HD TYR 80 -2.857 -8.232 2.042 523 HE1 TYR 80 2HE TYR 80 -6.069 -10.913 -0.547 524 HE2 TYR 80 1HE TYR 80 -2.133 -10.338 0.997 525 HH TYR 80 HH TYR 80 -3.480 -12.583 0.257 526 H THR 81 H THR 81 -3.641 -6.660 4.465 527 HA THR 81 HA THR 81 -4.613 -4.094 5.537 528 HB THR 81 HB THR 81 -2.828 -6.096 6.930 529 HG1 THR 81 1HG THR 81 -5.267 -4.944 7.828 530 HG21 THR 81 1HG2 THR 81 -3.076 -3.202 7.242 531 HG22 THR 81 2HG2 THR 81 -1.849 -4.306 7.864 532 HG23 THR 81 3HG2 THR 81 -3.369 -4.094 8.734 533 H LEU 82 H LEU 82 -3.677 -2.829 3.965 534 HA LEU 82 HA LEU 82 -0.957 -3.177 3.135 535 HB2 LEU 82 1HB LEU 82 -2.569 -0.679 2.748 536 HB3 LEU 82 2HB LEU 82 -1.294 -1.337 1.725 537 HG LEU 82 HG LEU 82 -3.950 -2.707 2.062 538 HD11 LEU 82 1HD1 LEU 82 -3.254 -0.318 0.485 539 HD12 LEU 82 2HD1 LEU 82 -4.818 -0.874 1.081 540 HD13 LEU 82 3HD1 LEU 82 -4.126 -1.587 -0.377 541 HD21 LEU 82 1HD2 LEU 82 -1.524 -3.075 0.423 542 HD22 LEU 82 2HD2 LEU 82 -3.065 -3.301 -0.404 543 HD23 LEU 82 3HD2 LEU 82 -2.681 -4.262 1.025 544 H THR 83 H THR 83 0.816 -2.442 4.092 545 HA THR 83 HA THR 83 0.559 -0.228 6.021 546 HB THR 83 HB THR 83 2.487 -2.542 6.273 547 HG1 THR 83 1HG THR 83 0.311 -2.122 8.012 548 HG21 THR 83 1HG2 THR 83 3.066 -1.652 8.381 549 HG22 THR 83 2HG2 THR 83 1.703 -0.533 8.372 550 HG23 THR 83 3HG2 THR 83 3.064 -0.274 7.282 551 H MET 84 H MET 84 1.430 1.481 5.016 552 HA MET 84 HA MET 84 3.972 1.110 3.582 553 HB2 MET 84 1HB MET 84 2.009 2.030 2.302 554 HB3 MET 84 2HB MET 84 2.069 3.443 3.347 555 HG2 MET 84 1HG MET 84 4.325 3.932 2.572 556 HG3 MET 84 2HG MET 84 4.285 2.503 1.541 557 HE1 MET 84 1HE MET 84 1.678 2.358 -0.003 558 HE2 MET 84 2HE MET 84 2.041 3.413 -1.369 559 HE3 MET 84 3HE MET 84 3.291 2.354 -0.715 560 H LYS 85 H LYS 85 5.767 2.011 4.366 561 HA LYS 85 HA LYS 85 5.501 4.124 6.400 562 HB2 LYS 85 1HB LYS 85 7.045 1.574 6.485 563 HB3 LYS 85 2HB LYS 85 7.753 2.994 7.244 564 HG2 LYS 85 1HG LYS 85 5.349 3.151 8.340 565 HG3 LYS 85 2HG LYS 85 5.364 1.416 8.015 566 HD2 LYS 85 1HD LYS 85 7.769 1.604 9.106 567 HD3 LYS 85 2HD LYS 85 7.049 3.024 9.866 568 HE2 LYS 85 1HE LYS 85 5.535 0.459 9.888 569 HE3 LYS 85 2HE LYS 85 6.899 0.646 10.989 570 HZ1 LYS 85 1HZ LYS 85 4.285 1.822 11.104 571 HZ2 LYS 85 2HZ LYS 85 5.520 2.962 11.292 572 HZ3 LYS 85 3HZ LYS 85 5.437 1.629 12.329 573 H TYR 86 H TYR 86 6.452 5.936 5.772 574 HA TYR 86 HA TYR 86 8.672 5.771 3.846 575 HB2 TYR 86 1HB TYR 86 6.473 7.016 3.280 576 HB3 TYR 86 2HB TYR 86 7.068 8.259 4.375 577 HD1 TYR 86 1HD TYR 86 9.086 9.545 3.816 578 HD2 TYR 86 2HD TYR 86 7.466 6.686 1.114 579 HE1 TYR 86 1HE TYR 86 10.428 10.513 1.997 580 HE2 TYR 86 2HE TYR 86 8.805 7.645 -0.712 581 HH TYR 86 HH TYR 86 9.908 9.742 -1.280 582 H GLY 87 H GLY 87 10.593 6.002 4.777 583 HA2 GLY 87 1HA GLY 87 12.299 6.906 6.023 584 HA3 GLY 87 2HA GLY 87 11.282 8.320 6.253 585 H GLY 88 H GLY 88 10.571 4.996 7.231 586 HA2 GLY 88 1HA GLY 88 10.355 4.047 9.318 587 HA3 GLY 88 2HA GLY 88 11.300 5.381 9.962 588 H GLU 89 H GLU 89 8.692 6.531 8.194 589 HA GLU 89 HA GLU 89 7.007 6.705 10.602 590 HB2 GLU 89 1HB GLU 89 7.449 8.931 8.607 591 HB3 GLU 89 2HB GLU 89 6.463 9.008 10.060 592 HG2 GLU 89 1HG GLU 89 8.757 8.342 11.202 593 HG3 GLU 89 2HG GLU 89 9.406 9.110 9.754 594 H LEU 90 H LEU 90 4.920 6.211 10.318 595 HA LEU 90 HA LEU 90 4.005 5.053 7.930 596 HB2 LEU 90 1HB LEU 90 2.790 5.844 10.515 597 HB3 LEU 90 2HB LEU 90 1.696 5.562 9.162 598 HG LEU 90 HG LEU 90 3.689 3.549 10.199 599 HD11 LEU 90 1HD1 LEU 90 1.938 4.058 11.851 600 HD12 LEU 90 2HD1 LEU 90 1.803 2.421 11.209 601 HD13 LEU 90 3HD1 LEU 90 0.710 3.683 10.642 602 HD21 LEU 90 1HD2 LEU 90 1.458 2.499 8.733 603 HD22 LEU 90 2HD2 LEU 90 3.184 2.325 8.417 604 HD23 LEU 90 3HD2 LEU 90 2.303 3.708 7.766 605 H VAL 91 H VAL 91 2.254 5.743 6.550 606 HA VAL 91 HA VAL 91 2.334 8.639 6.075 607 HB VAL 91 HB VAL 91 1.118 7.769 3.875 608 HG11 VAL 91 1HG1 VAL 91 4.087 7.409 4.226 609 HG12 VAL 91 2HG1 VAL 91 3.218 7.862 2.759 610 HG13 VAL 91 3HG1 VAL 91 3.303 8.984 4.117 611 HG21 VAL 91 1HG2 VAL 91 1.193 5.406 4.879 612 HG22 VAL 91 2HG2 VAL 91 1.682 5.606 3.197 613 HG23 VAL 91 3HG2 VAL 91 2.905 5.430 4.455 614 HA PRO 92 HA PRO 92 -1.882 9.292 7.099 615 HB2 PRO 92 1HB PRO 92 -2.685 11.033 5.177 616 HB3 PRO 92 2HB PRO 92 -1.590 11.488 6.488 617 HG2 PRO 92 1HG PRO 92 -0.952 10.753 3.658 618 HG3 PRO 92 2HG PRO 92 -0.282 12.059 4.653 619 HD2 PRO 92 1HD PRO 92 1.025 9.724 4.242 620 HD3 PRO 92 2HD PRO 92 1.171 10.647 5.752 621 H HIS 93 H HIS 93 -1.027 7.471 4.502 622 HA HIS 93 HA HIS 93 -3.834 6.946 3.769 623 HB2 HIS 93 1HB HIS 93 -1.347 7.015 2.098 624 HB3 HIS 93 2HB HIS 93 -2.684 5.970 1.625 625 HD1 HIS 93 1HD HIS 93 -4.434 7.035 0.230 626 HD2 HIS 93 2HD HIS 93 -2.214 9.837 2.347 627 HE1 HIS 93 1HE HIS 93 -5.248 9.278 -0.565 628 HE2 HIS 93 2HE HIS 93 -3.831 10.956 0.667 629 H PHE 94 H PHE 94 -1.849 5.801 5.819 630 HA PHE 94 HA PHE 94 -2.662 3.059 5.463 631 HB2 PHE 94 1HB PHE 94 0.284 3.748 5.516 632 HB3 PHE 94 2HB PHE 94 -0.388 2.122 5.590 633 HD1 PHE 94 2HD PHE 94 -0.256 5.149 3.442 634 HD2 PHE 94 1HD PHE 94 -0.784 0.930 3.640 635 HE1 PHE 94 2HE PHE 94 -0.230 5.034 0.984 636 HE2 PHE 94 1HE PHE 94 -0.759 0.808 1.183 637 HZ PHE 94 HZ PHE 94 -0.483 2.862 -0.149 638 HA PRO 95 HA PRO 95 -1.849 1.070 6.428 639 HB2 PRO 95 1HB PRO 95 -3.477 -0.390 8.037 640 HB3 PRO 95 2HB PRO 95 -1.731 -0.272 8.289 641 HG2 PRO 95 1HG PRO 95 -3.948 1.206 9.655 642 HG3 PRO 95 2HG PRO 95 -2.492 0.475 10.356 643 HD2 PRO 95 1HD PRO 95 -2.698 3.131 9.867 644 HD3 PRO 95 2HD PRO 95 -1.157 2.256 9.757 645 H ALA 96 H ALA 96 -3.443 0.260 5.062 646 HA ALA 96 HA ALA 96 -6.136 1.405 5.317 647 HB1 ALA 96 1HB ALA 96 -5.254 1.216 2.551 648 HB2 ALA 96 2HB ALA 96 -6.051 2.542 3.398 649 HB3 ALA 96 3HB ALA 96 -4.300 2.356 3.500 650 H ARG 97 H ARG 97 -7.485 -0.255 5.478 651 HA ARG 97 HA ARG 97 -6.815 -2.865 4.482 652 HB2 ARG 97 1HB ARG 97 -9.014 -3.522 5.391 653 HB3 ARG 97 2HB ARG 97 -8.037 -2.656 6.569 654 HG2 ARG 97 1HG ARG 97 -10.013 -1.601 6.903 655 HG3 ARG 97 2HG ARG 97 -9.382 -0.586 5.604 656 HD2 ARG 97 1HD ARG 97 -10.758 -1.574 4.002 657 HD3 ARG 97 2HD ARG 97 -11.055 -2.997 5.001 658 HE ARG 97 HE ARG 97 -12.127 -0.915 6.414 659 HH11 ARG 97 1HH1 ARG 97 -12.559 -2.225 3.217 660 HH12 ARG 97 2HH1 ARG 97 -14.222 -1.753 3.107 661 HH21 ARG 97 1HH2 ARG 97 -14.316 -0.289 6.281 662 HH22 ARG 97 2HH2 ARG 97 -15.221 -0.651 4.850 663 H VAL 98 H VAL 98 -7.770 -3.995 2.811 664 HA VAL 98 HA VAL 98 -9.748 -2.632 1.147 665 HB VAL 98 HB VAL 98 -7.160 -3.701 0.009 666 HG11 VAL 98 1HG1 VAL 98 -8.091 -2.493 -2.058 667 HG12 VAL 98 2HG1 VAL 98 -8.790 -4.054 -1.625 668 HG13 VAL 98 3HG1 VAL 98 -9.645 -2.563 -1.227 669 HG21 VAL 98 1HG2 VAL 98 -7.107 -1.486 1.303 670 HG22 VAL 98 2HG2 VAL 98 -6.444 -1.502 -0.332 671 HG23 VAL 98 3HG2 VAL 98 -8.050 -0.836 -0.038 672 H LYS 99 H LYS 99 -11.344 -4.053 0.978 673 HA LYS 99 HA LYS 99 -11.044 -6.838 1.381 674 HB2 LYS 99 1HB LYS 99 -13.140 -5.579 1.817 675 HB3 LYS 99 2HB LYS 99 -13.345 -5.364 0.084 676 HG2 LYS 99 1HG LYS 99 -13.276 -7.924 -0.044 677 HG3 LYS 99 2HG LYS 99 -13.545 -7.877 1.700 678 HD2 LYS 99 1HD LYS 99 -15.518 -6.326 1.149 679 HD3 LYS 99 2HD LYS 99 -15.334 -6.907 -0.507 680 HE2 LYS 99 1HE LYS 99 -15.473 -9.250 0.456 681 HE3 LYS 99 2HE LYS 99 -15.989 -8.495 1.963 682 HZ1 LYS 99 1HZ LYS 99 -17.939 -9.070 0.816 683 HZ2 LYS 99 2HZ LYS 99 -17.371 -8.460 -0.656 684 HZ3 LYS 99 3HZ LYS 99 -17.780 -7.400 0.597 685 H VAL 100 H VAL 100 -10.057 -8.172 0.021 686 HA VAL 100 HA VAL 100 -10.072 -7.605 -2.846 687 HB VAL 100 HB VAL 100 -8.531 -9.680 -1.281 688 HG11 VAL 100 1HG1 VAL 100 -9.155 -9.760 -3.947 689 HG12 VAL 100 2HG1 VAL 100 -7.584 -8.956 -3.947 690 HG13 VAL 100 3HG1 VAL 100 -7.765 -10.543 -3.198 691 HG21 VAL 100 1HG2 VAL 100 -7.771 -7.466 -0.733 692 HG22 VAL 100 2HG2 VAL 100 -6.587 -8.221 -1.799 693 HG23 VAL 100 3HG2 VAL 100 -7.708 -7.019 -2.438 694 H GLU 101 H GLU 101 -11.050 -8.863 -4.348 695 HA GLU 101 HA GLU 101 -12.867 -10.922 -3.347 696 HB2 GLU 101 1HB GLU 101 -12.773 -9.192 -5.772 697 HB3 GLU 101 2HB GLU 101 -13.589 -10.744 -5.897 698 HG2 GLU 101 1HG GLU 101 -14.902 -10.042 -3.838 699 HG3 GLU 101 2HG GLU 101 -14.261 -8.424 -4.121 700 HA PRO 102 HA PRO 102 -10.693 -14.345 -5.018 701 HB2 PRO 102 1HB PRO 102 -12.700 -15.894 -5.988 702 HB3 PRO 102 2HB PRO 102 -12.402 -15.679 -4.259 703 HG2 PRO 102 1HG PRO 102 -14.413 -14.328 -6.017 704 HG3 PRO 102 2HG PRO 102 -14.616 -14.977 -4.379 705 HD2 PRO 102 1HD PRO 102 -14.262 -12.337 -4.866 706 HD3 PRO 102 2HD PRO 102 -13.665 -13.124 -3.391 707 H ALA 103 H ALA 103 -10.406 -15.701 -7.022 708 HA ALA 103 HA ALA 103 -10.731 -13.999 -9.400 709 HB1 ALA 103 1HB ALA 103 -8.407 -14.558 -8.634 710 HB2 ALA 103 2HB ALA 103 -8.748 -16.238 -9.050 711 HB3 ALA 103 3HB ALA 103 -8.771 -14.997 -10.303 712 H VAL 104 H VAL 104 -12.972 -15.343 -8.838 713 HA VAL 104 HA VAL 104 -12.935 -17.723 -10.572 714 HB VAL 104 HB VAL 104 -15.166 -18.238 -9.519 715 HG11 VAL 104 1HG1 VAL 104 -14.186 -19.461 -7.851 716 HG12 VAL 104 2HG1 VAL 104 -12.760 -19.037 -8.801 717 HG13 VAL 104 3HG1 VAL 104 -13.147 -18.133 -7.336 718 HG21 VAL 104 1HG2 VAL 104 -14.321 -16.042 -7.632 719 HG22 VAL 104 2HG2 VAL 104 -15.722 -16.023 -8.703 720 HG23 VAL 104 3HG2 VAL 104 -15.656 -17.161 -7.357 721 H ASP 105 H ASP 105 -13.715 -14.500 -10.576 722 HA ASP 105 HA ASP 105 -16.189 -14.291 -11.792 723 HB2 ASP 105 1HB ASP 105 -14.843 -12.361 -11.042 724 HB3 ASP 105 2HB ASP 105 -13.732 -12.626 -12.383 725 H THR 106 H THR 106 -13.021 -14.659 -13.375 726 HA THR 106 HA THR 106 -14.361 -15.199 -15.916 727 HB THR 106 HB THR 106 -12.123 -15.093 -16.921 728 HG1 THR 106 1HG THR 106 -11.368 -15.075 -14.225 729 HG21 THR 106 1HG2 THR 106 -11.937 -12.674 -15.307 730 HG22 THR 106 2HG2 THR 106 -13.574 -12.988 -15.883 731 HG23 THR 106 3HG2 THR 106 -12.244 -12.859 -17.033 732 H SER 107 H SER 107 -15.036 -17.250 -16.086 733 HA SER 107 HA SER 107 -14.222 -19.488 -14.777 734 HB2 SER 107 1HB SER 107 -15.162 -19.250 -17.642 735 HB3 SER 107 2HB SER 107 -15.009 -20.785 -16.788 736 HG SER 107 HG SER 107 -16.412 -19.611 -15.149 737 H SER 108 H SER 108 -12.899 -18.326 -17.868 738 HA SER 108 HA SER 108 -10.411 -19.755 -17.255 739 HB2 SER 108 1HB SER 108 -11.849 -19.836 -19.919 740 HB3 SER 108 2HB SER 108 -10.233 -20.477 -19.622 741 HG SER 108 HG SER 108 -12.708 -21.381 -18.610 742 H GLY 109 H GLY 109 -8.798 -18.346 -17.246 743 HA2 GLY 109 1HA GLY 109 -8.964 -16.026 -19.071 744 HA3 GLY 109 2HA GLY 109 -8.271 -15.936 -17.459 745 HA PRO 110 HA PRO 110 -4.322 -16.584 -19.269 746 HB2 PRO 110 1HB PRO 110 -2.980 -17.482 -17.086 747 HB3 PRO 110 2HB PRO 110 -3.451 -15.791 -17.296 748 HG2 PRO 110 1HG PRO 110 -4.779 -17.942 -15.693 749 HG3 PRO 110 2HG PRO 110 -4.479 -16.249 -15.261 750 HD2 PRO 110 1HD PRO 110 -6.891 -17.127 -16.123 751 HD3 PRO 110 2HD PRO 110 -6.295 -15.490 -16.462 752 H SER 111 H SER 111 -3.189 -18.193 -20.248 753 HA SER 111 HA SER 111 -3.099 -20.875 -19.311 754 HB2 SER 111 1HB SER 111 -5.453 -20.742 -20.200 755 HB3 SER 111 2HB SER 111 -4.767 -20.447 -21.797 756 HG SER 111 HG SER 111 -5.296 -22.741 -20.944 757 H SER 112 H SER 112 -1.431 -21.950 -20.227 758 HA SER 112 HA SER 112 0.628 -22.004 -21.267 759 HB2 SER 112 1HB SER 112 0.405 -22.758 -23.468 760 HB3 SER 112 2HB SER 112 -1.189 -23.082 -22.789 761 HG SER 112 HG SER 112 -1.766 -20.952 -23.675 762 H GLY 113 H GLY 113 0.214 -19.425 -20.389 763 HA2 GLY 113 1HA GLY 113 2.028 -17.958 -21.938 764 HA3 GLY 113 2HA GLY 113 0.408 -17.435 -22.374 Start of MODEL 9 1 H1 GLY 1 H GLY 1 11.284 28.215 -10.195 2 HA2 GLY 1 1HA GLY 1 11.676 27.096 -8.172 3 HA3 GLY 1 2HA GLY 1 11.728 25.574 -9.049 4 H SER 2 H SER 2 13.567 26.719 -7.033 5 HA SER 2 HA SER 2 15.996 27.268 -8.523 6 HB2 SER 2 1HB SER 2 17.018 27.700 -6.395 7 HB3 SER 2 2HB SER 2 15.416 28.435 -6.363 8 HG SER 2 HG SER 2 14.787 26.310 -5.371 9 H SER 3 H SER 3 17.973 26.041 -8.136 10 HA SER 3 HA SER 3 17.430 23.190 -8.216 11 HB2 SER 3 1HB SER 3 19.816 23.004 -8.883 12 HB3 SER 3 2HB SER 3 18.913 24.114 -9.914 13 HG SER 3 HG SER 3 19.786 25.835 -8.670 14 H GLY 4 H GLY 4 17.878 21.765 -6.645 15 HA2 GLY 4 1HA GLY 4 19.096 20.904 -4.811 16 HA3 GLY 4 2HA GLY 4 19.715 22.519 -4.495 17 H SER 5 H SER 5 17.335 20.201 -3.726 18 HA SER 5 HA SER 5 15.750 22.153 -2.217 19 HB2 SER 5 1HB SER 5 14.438 20.671 -3.616 20 HB3 SER 5 2HB SER 5 15.212 19.254 -2.906 21 HG SER 5 HG SER 5 13.637 21.132 -1.473 22 H SER 6 H SER 6 15.695 22.196 -0.038 23 HA SER 6 HA SER 6 17.111 20.075 1.428 24 HB2 SER 6 1HB SER 6 17.381 23.051 1.921 25 HB3 SER 6 2HB SER 6 18.111 21.779 2.902 26 HG SER 6 HG SER 6 19.656 22.422 1.468 27 H GLY 7 H GLY 7 14.384 20.088 1.133 28 HA2 GLY 7 1HA GLY 7 13.147 21.421 3.381 29 HA3 GLY 7 2HA GLY 7 12.361 20.327 2.251 30 HA PRO 8 HA PRO 8 13.562 18.300 6.434 31 HB2 PRO 8 1HB PRO 8 11.253 18.646 7.819 32 HB3 PRO 8 2HB PRO 8 12.601 19.786 7.900 33 HG2 PRO 8 1HG PRO 8 10.081 19.944 6.292 34 HG3 PRO 8 2HG PRO 8 10.901 21.217 7.215 35 HD2 PRO 8 1HD PRO 8 11.128 20.989 4.526 36 HD3 PRO 8 2HD PRO 8 12.443 21.606 5.547 37 H PHE 9 H PHE 9 12.783 16.257 7.103 38 HA PHE 9 HA PHE 9 11.364 14.824 5.082 39 HB2 PHE 9 1HB PHE 9 12.981 13.506 6.092 40 HB3 PHE 9 2HB PHE 9 12.624 14.121 7.703 41 HD1 PHE 9 2HD PHE 9 10.647 13.293 8.930 42 HD2 PHE 9 1HD PHE 9 11.863 11.609 5.215 43 HE1 PHE 9 2HE PHE 9 9.266 11.308 9.383 44 HE2 PHE 9 1HE PHE 9 10.483 9.621 5.661 45 HZ PHE 9 HZ PHE 9 9.183 9.468 7.748 46 H ASP 10 H ASP 10 9.304 14.073 5.058 47 HA ASP 10 HA ASP 10 7.616 14.058 7.362 48 HB2 ASP 10 1HB ASP 10 7.798 16.536 6.437 49 HB3 ASP 10 2HB ASP 10 6.612 15.944 5.277 50 HA PRO 11 HA PRO 11 6.131 10.948 4.500 51 HB2 PRO 11 1HB PRO 11 4.553 9.686 6.314 52 HB3 PRO 11 2HB PRO 11 6.305 9.461 6.243 53 HG2 PRO 11 1HG PRO 11 4.691 11.204 8.064 54 HG3 PRO 11 2HG PRO 11 6.075 10.164 8.448 55 HD2 PRO 11 1HD PRO 11 6.309 12.843 8.131 56 HD3 PRO 11 2HD PRO 11 7.607 11.712 7.695 57 H SER 12 H SER 12 4.388 13.347 6.240 58 HA SER 12 HA SER 12 1.755 12.700 5.442 59 HB2 SER 12 1HB SER 12 3.114 15.128 6.522 60 HB3 SER 12 2HB SER 12 1.520 15.324 5.795 61 HG SER 12 HG SER 12 0.710 14.516 7.543 62 H LYS 13 H LYS 13 4.329 14.557 3.938 63 HA LYS 13 HA LYS 13 2.818 15.763 1.895 64 HB2 LYS 13 1HB LYS 13 5.709 14.910 1.708 65 HB3 LYS 13 2HB LYS 13 4.917 16.192 0.801 66 HG2 LYS 13 1HG LYS 13 5.327 16.198 3.784 67 HG3 LYS 13 2HG LYS 13 6.356 17.030 2.615 68 HD2 LYS 13 1HD LYS 13 4.014 18.029 1.852 69 HD3 LYS 13 2HD LYS 13 3.605 17.672 3.532 70 HE2 LYS 13 1HE LYS 13 5.567 18.973 4.258 71 HE3 LYS 13 2HE LYS 13 5.913 19.363 2.574 72 HZ1 LYS 13 1HZ LYS 13 4.552 20.990 4.067 73 HZ2 LYS 13 2HZ LYS 13 3.256 19.988 3.648 74 HZ3 LYS 13 3HZ LYS 13 4.141 20.776 2.440 75 H VAL 14 H VAL 14 4.092 12.551 2.269 76 HA VAL 14 HA VAL 14 4.072 11.719 -0.414 77 HB VAL 14 HB VAL 14 3.566 10.057 2.059 78 HG11 VAL 14 1HG1 VAL 14 3.901 8.146 0.800 79 HG12 VAL 14 2HG1 VAL 14 2.965 9.156 -0.304 80 HG13 VAL 14 3HG1 VAL 14 4.713 9.018 -0.499 81 HG21 VAL 14 1HG2 VAL 14 5.908 9.610 2.096 82 HG22 VAL 14 2HG2 VAL 14 6.154 10.456 0.568 83 HG23 VAL 14 3HG2 VAL 14 5.709 11.360 2.015 84 H VAL 15 H VAL 15 2.466 11.311 -1.783 85 HA VAL 15 HA VAL 15 -0.252 10.975 -0.690 86 HB VAL 15 HB VAL 15 0.564 12.243 -3.308 87 HG11 VAL 15 1HG1 VAL 15 -1.555 12.141 -4.029 88 HG12 VAL 15 2HG1 VAL 15 -1.739 10.848 -2.842 89 HG13 VAL 15 3HG1 VAL 15 -2.214 12.497 -2.433 90 HG21 VAL 15 1HG2 VAL 15 0.641 14.156 -2.186 91 HG22 VAL 15 2HG2 VAL 15 -1.038 13.934 -1.694 92 HG23 VAL 15 3HG2 VAL 15 0.267 13.308 -0.686 93 H ALA 16 H ALA 16 -0.823 8.908 -0.842 94 HA ALA 16 HA ALA 16 -0.010 7.388 -3.230 95 HB1 ALA 16 1HB ALA 16 0.252 6.755 -0.534 96 HB2 ALA 16 2HB ALA 16 -1.090 5.762 -1.104 97 HB3 ALA 16 3HB ALA 16 0.477 5.670 -1.906 98 H SER 17 H SER 17 -1.514 6.428 -4.506 99 HA SER 17 HA SER 17 -4.265 6.172 -3.668 100 HB2 SER 17 1HB SER 17 -3.436 8.178 -5.765 101 HB3 SER 17 2HB SER 17 -5.067 7.511 -5.692 102 HG SER 17 HG SER 17 -4.957 8.245 -3.388 103 H GLY 18 H GLY 18 -5.605 5.514 -5.771 104 HA2 GLY 18 1HA GLY 18 -5.099 4.425 -8.016 105 HA3 GLY 18 2HA GLY 18 -3.980 3.435 -7.091 106 HA PRO 19 HA PRO 19 -8.294 1.515 -7.293 107 HB2 PRO 19 1HB PRO 19 -7.625 -0.650 -8.789 108 HB3 PRO 19 2HB PRO 19 -8.168 0.876 -9.496 109 HG2 PRO 19 1HG PRO 19 -5.385 -0.176 -9.169 110 HG3 PRO 19 2HG PRO 19 -6.115 0.643 -10.563 111 HD2 PRO 19 1HD PRO 19 -4.505 1.922 -8.801 112 HD3 PRO 19 2HD PRO 19 -5.845 2.735 -9.634 113 H GLY 20 H GLY 20 -5.049 0.176 -6.886 114 HA2 GLY 20 1HA GLY 20 -5.673 -2.204 -5.585 115 HA3 GLY 20 2HA GLY 20 -4.196 -1.286 -5.336 116 H LEU 21 H LEU 21 -5.545 1.071 -4.318 117 HA LEU 21 HA LEU 21 -5.834 0.197 -1.581 118 HB2 LEU 21 1HB LEU 21 -5.554 2.793 -2.989 119 HB3 LEU 21 2HB LEU 21 -6.337 2.805 -1.411 120 HG LEU 21 HG LEU 21 -3.696 1.453 -1.679 121 HD11 LEU 21 1HD1 LEU 21 -2.729 3.293 -2.482 122 HD12 LEU 21 2HD1 LEU 21 -3.055 4.015 -0.906 123 HD13 LEU 21 3HD1 LEU 21 -4.180 4.265 -2.241 124 HD21 LEU 21 1HD2 LEU 21 -4.354 1.230 0.475 125 HD22 LEU 21 2HD2 LEU 21 -5.382 2.663 0.428 126 HD23 LEU 21 3HD2 LEU 21 -3.636 2.835 0.610 127 H GLU 22 H GLU 22 -7.908 0.203 -4.075 128 HA GLU 22 HA GLU 22 -10.218 0.987 -2.426 129 HB2 GLU 22 1HB GLU 22 -10.127 0.690 -5.431 130 HB3 GLU 22 2HB GLU 22 -11.452 1.336 -4.474 131 HG2 GLU 22 1HG GLU 22 -9.625 3.053 -3.695 132 HG3 GLU 22 2HG GLU 22 -8.860 2.585 -5.213 133 H HIS 23 H HIS 23 -8.811 -1.544 -4.392 134 HA HIS 23 HA HIS 23 -10.223 -3.590 -3.055 135 HB2 HIS 23 1HB HIS 23 -11.529 -4.424 -5.033 136 HB3 HIS 23 2HB HIS 23 -12.142 -2.928 -4.334 137 HD1 HIS 23 1HD HIS 23 -10.717 -4.356 -7.437 138 HD2 HIS 23 2HD HIS 23 -11.733 -0.616 -5.942 139 HE1 HIS 23 1HE HIS 23 -10.727 -2.817 -9.426 140 HE2 HIS 23 2HE HIS 23 -11.261 -0.543 -8.484 141 H GLY 24 H GLY 24 -9.756 -5.754 -3.976 142 HA2 GLY 24 1HA GLY 24 -7.546 -5.804 -5.898 143 HA3 GLY 24 2HA GLY 24 -7.243 -6.450 -4.292 144 H LYS 25 H LYS 25 -6.904 -8.060 -6.462 145 HA LYS 25 HA LYS 25 -9.001 -10.046 -6.020 146 HB2 LYS 25 1HB LYS 25 -9.347 -8.620 -8.182 147 HB3 LYS 25 2HB LYS 25 -8.031 -9.594 -8.822 148 HG2 LYS 25 1HG LYS 25 -9.317 -11.626 -8.357 149 HG3 LYS 25 2HG LYS 25 -10.643 -10.636 -7.742 150 HD2 LYS 25 1HD LYS 25 -10.483 -9.474 -10.072 151 HD3 LYS 25 2HD LYS 25 -9.655 -10.959 -10.546 152 HE2 LYS 25 1HE LYS 25 -11.531 -12.242 -10.308 153 HE3 LYS 25 2HE LYS 25 -12.216 -11.203 -9.060 154 HZ1 LYS 25 1HZ LYS 25 -13.350 -10.064 -10.572 155 HZ2 LYS 25 2HZ LYS 25 -12.935 -11.258 -11.696 156 HZ3 LYS 25 3HZ LYS 25 -11.996 -9.857 -11.566 157 H VAL 26 H VAL 26 -8.238 -12.083 -5.874 158 HA VAL 26 HA VAL 26 -5.587 -12.646 -5.427 159 HB VAL 26 HB VAL 26 -7.658 -14.568 -6.500 160 HG11 VAL 26 1HG1 VAL 26 -4.948 -14.984 -6.199 161 HG12 VAL 26 2HG1 VAL 26 -5.632 -15.626 -4.704 162 HG13 VAL 26 3HG1 VAL 26 -6.191 -16.233 -6.264 163 HG21 VAL 26 1HG2 VAL 26 -6.993 -14.618 -3.650 164 HG22 VAL 26 2HG2 VAL 26 -7.790 -13.136 -4.179 165 HG23 VAL 26 3HG2 VAL 26 -8.563 -14.698 -4.451 166 H GLY 27 H GLY 27 -3.884 -12.490 -6.723 167 HA2 GLY 27 1HA GLY 27 -2.607 -13.323 -8.559 168 HA3 GLY 27 2HA GLY 27 -4.100 -13.542 -9.458 169 H GLU 28 H GLU 28 -5.065 -10.850 -8.661 170 HA GLU 28 HA GLU 28 -4.005 -9.418 -10.879 171 HB2 GLU 28 1HB GLU 28 -5.962 -8.793 -8.699 172 HB3 GLU 28 2HB GLU 28 -5.366 -7.498 -9.727 173 HG2 GLU 28 1HG GLU 28 -6.695 -9.999 -10.740 174 HG3 GLU 28 2HG GLU 28 -7.518 -8.465 -10.470 175 H ALA 29 H ALA 29 -3.589 -6.888 -10.281 176 HA ALA 29 HA ALA 29 -1.490 -6.837 -8.217 177 HB1 ALA 29 1HB ALA 29 -1.010 -5.164 -10.589 178 HB2 ALA 29 2HB ALA 29 0.113 -6.126 -9.628 179 HB3 ALA 29 3HB ALA 29 -0.892 -6.905 -10.849 180 H GLY 30 H GLY 30 -1.718 -5.228 -6.804 181 HA2 GLY 30 1HA GLY 30 -3.811 -3.283 -7.160 182 HA3 GLY 30 2HA GLY 30 -2.758 -3.441 -5.762 183 H LEU 31 H LEU 31 -3.315 -1.830 -8.753 184 HA LEU 31 HA LEU 31 -0.781 -0.631 -9.099 185 HB2 LEU 31 1HB LEU 31 -3.500 0.356 -9.947 186 HB3 LEU 31 2HB LEU 31 -1.958 0.970 -10.539 187 HG LEU 31 HG LEU 31 -2.913 -1.862 -10.939 188 HD11 LEU 31 1HD1 LEU 31 -4.405 -0.304 -12.073 189 HD12 LEU 31 2HD1 LEU 31 -3.418 -1.195 -13.231 190 HD13 LEU 31 3HD1 LEU 31 -3.021 0.478 -12.838 191 HD21 LEU 31 1HD2 LEU 31 -0.899 -0.572 -12.676 192 HD22 LEU 31 2HD2 LEU 31 -1.016 -2.240 -12.116 193 HD23 LEU 31 3HD2 LEU 31 -0.387 -0.991 -11.041 194 H LEU 32 H LEU 32 0.196 0.797 -7.840 195 HA LEU 32 HA LEU 32 -1.424 2.814 -6.450 196 HB2 LEU 32 1HB LEU 32 0.913 1.392 -5.193 197 HB3 LEU 32 2HB LEU 32 -0.152 2.573 -4.434 198 HG LEU 32 HG LEU 32 -0.973 -0.191 -5.327 199 HD11 LEU 32 1HD1 LEU 32 0.602 0.374 -3.196 200 HD12 LEU 32 2HD1 LEU 32 -0.523 -0.982 -3.276 201 HD13 LEU 32 3HD1 LEU 32 -1.003 0.515 -2.478 202 HD21 LEU 32 1HD2 LEU 32 -2.513 2.098 -4.837 203 HD22 LEU 32 2HD2 LEU 32 -2.681 1.086 -3.401 204 HD23 LEU 32 3HD2 LEU 32 -3.077 0.434 -4.992 205 H SER 33 H SER 33 -0.683 4.828 -6.680 206 HA SER 33 HA SER 33 2.071 5.181 -7.672 207 HB2 SER 33 1HB SER 33 -0.497 6.519 -8.469 208 HB3 SER 33 2HB SER 33 1.038 7.364 -8.668 209 HG SER 33 HG SER 33 1.121 6.286 -10.472 210 H VAL 34 H VAL 34 3.369 6.317 -6.400 211 HA VAL 34 HA VAL 34 2.157 8.058 -4.354 212 HB VAL 34 HB VAL 34 4.862 6.718 -4.249 213 HG11 VAL 34 1HG1 VAL 34 3.684 7.608 -1.750 214 HG12 VAL 34 2HG1 VAL 34 5.292 7.908 -2.413 215 HG13 VAL 34 3HG1 VAL 34 3.937 8.936 -2.883 216 HG21 VAL 34 1HG2 VAL 34 3.966 4.936 -3.218 217 HG22 VAL 34 2HG2 VAL 34 2.797 5.912 -2.328 218 HG23 VAL 34 3HG2 VAL 34 2.468 5.446 -3.998 219 H ASP 35 H ASP 35 2.721 10.154 -4.267 220 HA ASP 35 HA ASP 35 4.748 11.085 -6.188 221 HB2 ASP 35 1HB ASP 35 2.423 11.887 -6.566 222 HB3 ASP 35 2HB ASP 35 2.458 12.650 -4.979 223 H CYS 36 H CYS 36 6.594 11.072 -4.984 224 HA CYS 36 HA CYS 36 6.570 12.508 -2.422 225 HB2 CYS 36 1HB CYS 36 8.559 10.564 -3.604 226 HB3 CYS 36 2HB CYS 36 8.831 11.447 -2.107 227 HG CYS 36 HG CYS 36 5.920 9.952 -1.921 228 H SER 37 H SER 37 7.019 14.599 -2.636 229 HA SER 37 HA SER 37 9.284 15.362 -4.355 230 HB2 SER 37 1HB SER 37 6.517 16.458 -4.285 231 HB3 SER 37 2HB SER 37 7.837 17.608 -4.494 232 HG SER 37 HG SER 37 7.196 15.380 -6.123 233 H GLU 38 H GLU 38 7.114 16.802 -1.913 234 HA GLU 38 HA GLU 38 9.365 18.253 -0.775 235 HB2 GLU 38 1HB GLU 38 6.392 18.359 -0.444 236 HB3 GLU 38 2HB GLU 38 7.421 19.042 0.807 237 HG2 GLU 38 1HG GLU 38 7.340 19.835 -2.093 238 HG3 GLU 38 2HG GLU 38 6.748 20.768 -0.720 239 H ALA 39 H ALA 39 7.683 15.345 -0.266 240 HA ALA 39 HA ALA 39 7.579 14.906 2.411 241 HB1 ALA 39 1HB ALA 39 8.850 12.682 0.988 242 HB2 ALA 39 2HB ALA 39 7.328 12.742 1.877 243 HB3 ALA 39 3HB ALA 39 7.399 13.315 0.211 244 H GLY 40 H GLY 40 10.489 14.795 0.390 245 HA2 GLY 40 1HA GLY 40 12.603 15.535 1.241 246 HA3 GLY 40 2HA GLY 40 12.090 15.038 2.846 247 HA PRO 41 HA PRO 41 14.945 11.768 1.341 248 HB2 PRO 41 1HB PRO 41 16.080 11.344 3.771 249 HB3 PRO 41 2HB PRO 41 16.623 12.612 2.665 250 HG2 PRO 41 1HG PRO 41 14.819 12.820 5.045 251 HG3 PRO 41 2HG PRO 41 16.139 13.893 4.544 252 HD2 PRO 41 1HD PRO 41 13.534 14.471 4.080 253 HD3 PRO 41 2HD PRO 41 14.834 14.973 2.980 254 H GLY 42 H GLY 42 15.395 9.571 2.583 255 HA2 GLY 42 1HA GLY 42 14.500 7.845 3.971 256 HA3 GLY 42 2HA GLY 42 12.951 8.675 3.948 257 H ALA 43 H ALA 43 13.676 5.872 3.314 258 HA ALA 43 HA ALA 43 13.040 5.716 0.463 259 HB1 ALA 43 1HB ALA 43 14.876 4.338 1.659 260 HB2 ALA 43 2HB ALA 43 13.532 3.332 2.201 261 HB3 ALA 43 3HB ALA 43 13.837 3.543 0.477 262 H LEU 44 H LEU 44 11.248 4.590 -0.330 263 HA LEU 44 HA LEU 44 8.978 4.545 1.495 264 HB2 LEU 44 1HB LEU 44 8.629 5.685 -0.578 265 HB3 LEU 44 2HB LEU 44 9.203 4.296 -1.497 266 HG LEU 44 HG LEU 44 7.213 3.030 -0.785 267 HD11 LEU 44 1HD1 LEU 44 6.802 5.453 0.845 268 HD12 LEU 44 2HD1 LEU 44 6.346 3.779 1.158 269 HD13 LEU 44 3HD1 LEU 44 5.366 4.772 0.080 270 HD21 LEU 44 1HD2 LEU 44 5.638 5.031 -1.883 271 HD22 LEU 44 2HD2 LEU 44 6.512 3.776 -2.761 272 HD23 LEU 44 3HD2 LEU 44 7.255 5.356 -2.507 273 H GLY 45 H GLY 45 7.736 2.748 1.942 274 HA2 GLY 45 1HA GLY 45 8.357 0.199 0.705 275 HA3 GLY 45 2HA GLY 45 8.811 0.329 2.398 276 H LEU 46 H LEU 46 6.846 -1.429 1.130 277 HA LEU 46 HA LEU 46 4.535 -0.662 2.770 278 HB2 LEU 46 1HB LEU 46 3.953 -0.124 0.490 279 HB3 LEU 46 2HB LEU 46 4.451 -1.727 -0.048 280 HG LEU 46 HG LEU 46 2.568 -2.502 1.628 281 HD11 LEU 46 1HD1 LEU 46 0.814 -1.021 1.975 282 HD12 LEU 46 2HD1 LEU 46 1.381 0.097 0.736 283 HD13 LEU 46 3HD1 LEU 46 2.242 -0.029 2.270 284 HD21 LEU 46 1HD2 LEU 46 0.937 -2.291 -0.300 285 HD22 LEU 46 2HD2 LEU 46 2.464 -3.101 -0.649 286 HD23 LEU 46 3HD2 LEU 46 2.215 -1.431 -1.159 287 H GLU 47 H GLU 47 3.350 -2.384 3.650 288 HA GLU 47 HA GLU 47 4.533 -5.056 3.316 289 HB2 GLU 47 1HB GLU 47 5.329 -3.938 5.416 290 HB3 GLU 47 2HB GLU 47 3.659 -3.897 5.965 291 HG2 GLU 47 1HG GLU 47 3.560 -6.321 5.917 292 HG3 GLU 47 2HG GLU 47 5.213 -6.390 5.308 293 H ALA 48 H ALA 48 2.919 -6.012 2.199 294 HA ALA 48 HA ALA 48 0.148 -5.628 2.993 295 HB1 ALA 48 1HB ALA 48 0.907 -5.701 0.590 296 HB2 ALA 48 2HB ALA 48 1.171 -7.431 0.813 297 HB3 ALA 48 3HB ALA 48 -0.447 -6.754 0.998 298 H VAL 49 H VAL 49 -0.992 -6.993 4.216 299 HA VAL 49 HA VAL 49 -0.236 -9.787 4.439 300 HB VAL 49 HB VAL 49 -0.214 -7.942 6.829 301 HG11 VAL 49 1HG1 VAL 49 -0.507 -10.903 6.621 302 HG12 VAL 49 2HG1 VAL 49 0.401 -10.217 7.970 303 HG13 VAL 49 3HG1 VAL 49 -1.287 -9.768 7.723 304 HG21 VAL 49 1HG2 VAL 49 1.891 -7.924 5.715 305 HG22 VAL 49 2HG2 VAL 49 2.062 -8.956 7.135 306 HG23 VAL 49 3HG2 VAL 49 1.880 -9.679 5.536 307 H SER 50 H SER 50 -1.986 -11.040 4.624 308 HA SER 50 HA SER 50 -4.585 -9.810 4.749 309 HB2 SER 50 1HB SER 50 -5.415 -11.810 3.957 310 HB3 SER 50 2HB SER 50 -3.749 -11.930 3.393 311 HG SER 50 HG SER 50 -3.329 -13.105 5.378 312 H ASP 51 H ASP 51 -6.305 -10.811 6.165 313 HA ASP 51 HA ASP 51 -5.757 -10.342 8.846 314 HB2 ASP 51 1HB ASP 51 -8.024 -10.268 8.003 315 HB3 ASP 51 2HB ASP 51 -7.969 -11.981 7.595 316 H SER 52 H SER 52 -5.603 -13.321 6.999 317 HA SER 52 HA SER 52 -5.273 -15.029 9.268 318 HB2 SER 52 1HB SER 52 -6.121 -15.740 6.986 319 HB3 SER 52 2HB SER 52 -4.453 -15.635 6.423 320 HG SER 52 HG SER 52 -4.181 -17.061 8.484 321 H GLY 53 H GLY 53 -3.235 -12.863 7.660 322 HA2 GLY 53 1HA GLY 53 -1.075 -12.286 8.382 323 HA3 GLY 53 2HA GLY 53 -0.954 -13.841 9.193 324 H THR 54 H THR 54 -1.514 -12.778 5.834 325 HA THR 54 HA THR 54 0.687 -14.564 5.022 326 HB THR 54 HB THR 54 -1.820 -13.947 3.447 327 HG1 THR 54 1HG THR 54 -1.960 -15.456 5.302 328 HG21 THR 54 1HG2 THR 54 0.626 -14.572 2.428 329 HG22 THR 54 2HG2 THR 54 -0.909 -14.970 1.657 330 HG23 THR 54 3HG2 THR 54 -0.079 -16.173 2.643 331 H LYS 55 H LYS 55 2.359 -13.494 4.220 332 HA LYS 55 HA LYS 55 2.161 -10.734 3.460 333 HB2 LYS 55 1HB LYS 55 4.439 -12.715 3.390 334 HB3 LYS 55 2HB LYS 55 4.606 -11.037 2.890 335 HG2 LYS 55 1HG LYS 55 4.177 -10.245 5.077 336 HG3 LYS 55 2HG LYS 55 3.638 -11.836 5.621 337 HD2 LYS 55 1HD LYS 55 6.048 -12.568 4.922 338 HD3 LYS 55 2HD LYS 55 6.407 -10.847 5.083 339 HE2 LYS 55 1HE LYS 55 6.888 -11.662 7.197 340 HE3 LYS 55 2HE LYS 55 5.238 -11.068 7.382 341 HZ1 LYS 55 1HZ LYS 55 4.519 -13.414 6.896 342 HZ2 LYS 55 2HZ LYS 55 5.298 -13.181 8.379 343 HZ3 LYS 55 3HZ LYS 55 6.136 -13.875 7.084 344 H ALA 56 H ALA 56 1.697 -9.962 1.515 345 HA ALA 56 HA ALA 56 1.603 -11.784 -0.760 346 HB1 ALA 56 1HB ALA 56 0.475 -9.059 -0.228 347 HB2 ALA 56 2HB ALA 56 0.544 -9.715 -1.864 348 HB3 ALA 56 3HB ALA 56 -0.370 -10.559 -0.614 349 H GLU 57 H GLU 57 2.473 -11.149 -2.841 350 HA GLU 57 HA GLU 57 5.165 -10.283 -2.660 351 HB2 GLU 57 1HB GLU 57 3.943 -11.833 -4.407 352 HB3 GLU 57 2HB GLU 57 3.711 -10.319 -5.271 353 HG2 GLU 57 1HG GLU 57 6.262 -10.023 -4.920 354 HG3 GLU 57 2HG GLU 57 6.244 -11.762 -4.632 355 H VAL 58 H VAL 58 5.697 -8.242 -2.236 356 HA VAL 58 HA VAL 58 4.230 -6.097 -3.630 357 HB VAL 58 HB VAL 58 5.656 -5.970 -0.969 358 HG11 VAL 58 1HG1 VAL 58 4.445 -3.863 -2.716 359 HG12 VAL 58 2HG1 VAL 58 4.478 -3.664 -0.963 360 HG13 VAL 58 3HG1 VAL 58 5.986 -3.854 -1.858 361 HG21 VAL 58 1HG2 VAL 58 3.426 -7.130 -1.041 362 HG22 VAL 58 2HG2 VAL 58 3.509 -5.728 0.025 363 HG23 VAL 58 3HG2 VAL 58 2.725 -5.594 -1.548 364 H SER 59 H SER 59 5.376 -4.497 -4.656 365 HA SER 59 HA SER 59 8.284 -4.495 -4.508 366 HB2 SER 59 1HB SER 59 7.881 -6.100 -6.284 367 HB3 SER 59 2HB SER 59 6.771 -4.987 -7.084 368 HG SER 59 HG SER 59 9.514 -5.062 -7.114 369 H ILE 60 H ILE 60 9.238 -2.567 -5.206 370 HA ILE 60 HA ILE 60 7.361 -0.398 -5.879 371 HB ILE 60 HB ILE 60 9.749 -0.169 -4.044 372 HG12 ILE 60 1HG1 ILE 60 6.936 0.348 -3.183 373 HG13 ILE 60 2HG1 ILE 60 7.482 -1.321 -3.303 374 HG21 ILE 60 1HG2 ILE 60 8.856 2.117 -3.635 375 HG22 ILE 60 2HG2 ILE 60 9.446 1.864 -5.277 376 HG23 ILE 60 3HG2 ILE 60 7.713 1.858 -4.952 377 HD11 ILE 60 1HD1 ILE 60 9.442 -0.581 -1.838 378 HD12 ILE 60 2HD1 ILE 60 8.469 0.851 -1.501 379 HD13 ILE 60 3HD1 ILE 60 7.856 -0.749 -1.085 380 H GLN 61 H GLN 61 8.053 1.124 -7.344 381 HA GLN 61 HA GLN 61 10.758 0.832 -8.441 382 HB2 GLN 61 1HB GLN 61 8.899 -0.397 -9.772 383 HB3 GLN 61 2HB GLN 61 8.410 1.216 -10.273 384 HG2 GLN 61 1HG GLN 61 10.865 1.507 -10.980 385 HG3 GLN 61 2HG GLN 61 10.948 -0.250 -10.866 386 HE21 GLN 61 1HE2 GLN 61 10.705 2.074 -13.020 387 HE22 GLN 61 2HE2 GLN 61 9.693 1.335 -14.209 388 H ASN 62 H ASN 62 11.726 2.735 -8.298 389 HA ASN 62 HA ASN 62 10.262 5.167 -7.934 390 HB2 ASN 62 1HB ASN 62 12.689 6.129 -8.201 391 HB3 ASN 62 2HB ASN 62 12.260 5.207 -6.763 392 HD21 ASN 62 1HD2 ASN 62 13.413 3.462 -6.272 393 HD22 ASN 62 2HD2 ASN 62 14.609 2.740 -7.288 394 H ASN 63 H ASN 63 10.579 7.101 -9.265 395 HA ASN 63 HA ASN 63 11.201 6.561 -12.076 396 HB2 ASN 63 1HB ASN 63 8.664 7.921 -11.140 397 HB3 ASN 63 2HB ASN 63 9.166 7.721 -12.816 398 HD21 ASN 63 1HD2 ASN 63 7.421 6.414 -10.281 399 HD22 ASN 63 2HD2 ASN 63 7.139 4.843 -10.942 400 H LYS 64 H LYS 64 11.225 8.660 -13.356 401 HA LYS 64 HA LYS 64 13.009 10.468 -12.099 402 HB2 LYS 64 1HB LYS 64 11.658 10.308 -14.756 403 HB3 LYS 64 2HB LYS 64 12.382 11.839 -14.280 404 HG2 LYS 64 1HG LYS 64 14.535 10.924 -14.190 405 HG3 LYS 64 2HG LYS 64 13.922 9.268 -14.181 406 HD2 LYS 64 1HD LYS 64 13.040 9.669 -16.488 407 HD3 LYS 64 2HD LYS 64 13.874 11.225 -16.475 408 HE2 LYS 64 1HE LYS 64 16.004 10.152 -16.264 409 HE3 LYS 64 2HE LYS 64 15.245 8.579 -16.024 410 HZ1 LYS 64 1HZ LYS 64 16.069 8.808 -18.274 411 HZ2 LYS 64 2HZ LYS 64 15.136 10.199 -18.512 412 HZ3 LYS 64 3HZ LYS 64 14.381 8.702 -18.284 413 H ASP 65 H ASP 65 9.565 10.397 -12.491 414 HA ASP 65 HA ASP 65 9.204 13.193 -11.856 415 HB2 ASP 65 1HB ASP 65 7.664 11.796 -13.340 416 HB3 ASP 65 2HB ASP 65 7.067 11.065 -11.852 417 H GLY 66 H GLY 66 10.715 11.826 -9.912 418 HA2 GLY 66 1HA GLY 66 10.760 11.259 -7.665 419 HA3 GLY 66 2HA GLY 66 9.821 12.739 -7.542 420 H THR 67 H THR 67 8.807 9.701 -9.028 421 HA THR 67 HA THR 67 6.798 9.414 -6.890 422 HB THR 67 HB THR 67 5.246 8.484 -8.585 423 HG1 THR 67 1HG THR 67 7.062 9.505 -10.523 424 HG21 THR 67 1HG2 THR 67 5.494 10.943 -9.935 425 HG22 THR 67 2HG2 THR 67 6.052 11.222 -8.285 426 HG23 THR 67 3HG2 THR 67 4.442 10.562 -8.573 427 H TYR 68 H TYR 68 5.870 7.161 -6.802 428 HA TYR 68 HA TYR 68 7.848 5.123 -7.552 429 HB2 TYR 68 1HB TYR 68 6.561 5.411 -4.830 430 HB3 TYR 68 2HB TYR 68 7.556 4.050 -5.337 431 HD1 TYR 68 2HD TYR 68 7.593 7.670 -4.594 432 HD2 TYR 68 1HD TYR 68 9.929 4.188 -5.313 433 HE1 TYR 68 2HE TYR 68 9.604 8.873 -3.849 434 HE2 TYR 68 1HE TYR 68 11.947 5.381 -4.568 435 HH TYR 68 HH TYR 68 12.169 7.701 -2.812 436 H ALA 69 H ALA 69 7.001 3.298 -8.361 437 HA ALA 69 HA ALA 69 4.078 3.097 -8.463 438 HB1 ALA 69 1HB ALA 69 5.849 1.317 -10.062 439 HB2 ALA 69 2HB ALA 69 4.277 2.008 -10.467 440 HB3 ALA 69 3HB ALA 69 5.723 3.017 -10.514 441 H VAL 70 H VAL 70 3.538 2.132 -6.537 442 HA VAL 70 HA VAL 70 4.879 -0.334 -5.748 443 HB VAL 70 HB VAL 70 2.782 1.358 -4.396 444 HG11 VAL 70 1HG1 VAL 70 3.849 -1.348 -3.641 445 HG12 VAL 70 2HG1 VAL 70 3.160 -0.240 -2.453 446 HG13 VAL 70 3HG1 VAL 70 2.170 -0.831 -3.787 447 HG21 VAL 70 1HG2 VAL 70 4.549 2.399 -3.545 448 HG22 VAL 70 2HG2 VAL 70 5.039 0.890 -2.775 449 HG23 VAL 70 3HG2 VAL 70 5.643 1.297 -4.381 450 H THR 71 H THR 71 3.905 -2.329 -5.651 451 HA THR 71 HA THR 71 1.130 -2.595 -6.519 452 HB THR 71 HB THR 71 3.097 -4.409 -7.841 453 HG1 THR 71 1HG THR 71 4.002 -2.639 -8.646 454 HG21 THR 71 1HG2 THR 71 1.403 -4.435 -9.592 455 HG22 THR 71 2HG2 THR 71 0.482 -3.195 -8.741 456 HG23 THR 71 3HG2 THR 71 0.673 -4.796 -8.028 457 H TYR 72 H TYR 72 0.174 -4.603 -5.983 458 HA TYR 72 HA TYR 72 1.770 -6.451 -4.374 459 HB2 TYR 72 1HB TYR 72 0.375 -6.357 -2.479 460 HB3 TYR 72 2HB TYR 72 0.636 -4.672 -2.914 461 HD1 TYR 72 2HD TYR 72 -1.797 -7.460 -3.135 462 HD2 TYR 72 1HD TYR 72 -1.180 -3.261 -3.439 463 HE1 TYR 72 2HE TYR 72 -4.230 -7.115 -3.231 464 HE2 TYR 72 1HE TYR 72 -3.612 -2.905 -3.534 465 HH TYR 72 HH TYR 72 -5.643 -3.935 -3.068 466 H VAL 73 H VAL 73 1.259 -8.520 -4.736 467 HA VAL 73 HA VAL 73 -1.200 -9.076 -6.261 468 HB VAL 73 HB VAL 73 1.397 -10.621 -6.227 469 HG11 VAL 73 1HG1 VAL 73 -0.109 -12.297 -6.626 470 HG12 VAL 73 2HG1 VAL 73 -1.295 -11.210 -7.352 471 HG13 VAL 73 3HG1 VAL 73 0.130 -11.703 -8.269 472 HG21 VAL 73 1HG2 VAL 73 1.204 -8.367 -7.477 473 HG22 VAL 73 2HG2 VAL 73 1.859 -9.761 -8.337 474 HG23 VAL 73 3HG2 VAL 73 0.189 -9.262 -8.608 475 HA PRO 74 HA PRO 74 -2.186 -11.134 -2.351 476 HB2 PRO 74 1HB PRO 74 -4.844 -11.313 -2.874 477 HB3 PRO 74 2HB PRO 74 -4.083 -9.841 -2.257 478 HG2 PRO 74 1HG PRO 74 -4.856 -10.540 -5.063 479 HG3 PRO 74 2HG PRO 74 -5.064 -9.008 -4.193 480 HD2 PRO 74 1HD PRO 74 -3.059 -9.415 -5.967 481 HD3 PRO 74 2HD PRO 74 -2.879 -8.365 -4.547 482 H LEU 75 H LEU 75 -1.779 -13.240 -2.178 483 HA LEU 75 HA LEU 75 -2.301 -15.049 -4.369 484 HB2 LEU 75 1HB LEU 75 -1.170 -15.573 -1.625 485 HB3 LEU 75 2HB LEU 75 -1.202 -16.723 -2.960 486 HG LEU 75 HG LEU 75 0.297 -14.109 -3.041 487 HD11 LEU 75 1HD1 LEU 75 2.111 -15.049 -2.105 488 HD12 LEU 75 2HD1 LEU 75 1.790 -16.631 -2.814 489 HD13 LEU 75 3HD1 LEU 75 0.931 -16.127 -1.359 490 HD21 LEU 75 1HD2 LEU 75 1.216 -16.296 -4.706 491 HD22 LEU 75 2HD2 LEU 75 0.826 -14.631 -5.140 492 HD23 LEU 75 3HD2 LEU 75 -0.452 -15.845 -5.063 493 H THR 76 H THR 76 -3.670 -14.281 -1.255 494 HA THR 76 HA THR 76 -5.775 -16.286 -1.743 495 HB THR 76 HB THR 76 -4.323 -16.951 0.160 496 HG1 THR 76 1HG THR 76 -6.065 -17.704 1.123 497 HG21 THR 76 1HG2 THR 76 -3.781 -14.630 0.897 498 HG22 THR 76 2HG2 THR 76 -4.313 -15.684 2.207 499 HG23 THR 76 3HG2 THR 76 -5.423 -14.494 1.526 500 H ALA 77 H ALA 77 -7.815 -15.553 -1.710 501 HA ALA 77 HA ALA 77 -8.353 -12.783 -1.662 502 HB1 ALA 77 1HB ALA 77 -10.661 -14.517 -1.196 503 HB2 ALA 77 2HB ALA 77 -10.348 -13.365 -2.495 504 HB3 ALA 77 3HB ALA 77 -9.672 -14.992 -2.577 505 H GLY 78 H GLY 78 -9.883 -11.679 -0.222 506 HA2 GLY 78 1HA GLY 78 -11.065 -11.984 2.001 507 HA3 GLY 78 2HA GLY 78 -9.512 -12.581 2.565 508 H MET 79 H MET 79 -10.159 -10.726 4.118 509 HA MET 79 HA MET 79 -9.764 -8.053 3.199 510 HB2 MET 79 1HB MET 79 -9.903 -9.301 5.937 511 HB3 MET 79 2HB MET 79 -9.582 -7.587 5.710 512 HG2 MET 79 1HG MET 79 -12.043 -9.093 4.860 513 HG3 MET 79 2HG MET 79 -11.913 -7.915 6.164 514 HE1 MET 79 1HE MET 79 -11.041 -5.740 5.918 515 HE2 MET 79 2HE MET 79 -10.814 -4.814 4.435 516 HE3 MET 79 3HE MET 79 -12.395 -4.855 5.215 517 H TYR 80 H TYR 80 -7.953 -6.845 3.120 518 HA TYR 80 HA TYR 80 -5.455 -8.088 4.071 519 HB2 TYR 80 1HB TYR 80 -6.130 -6.734 1.508 520 HB3 TYR 80 2HB TYR 80 -4.519 -6.467 2.165 521 HD1 TYR 80 2HD TYR 80 -6.837 -8.989 0.825 522 HD2 TYR 80 1HD TYR 80 -2.881 -8.225 2.192 523 HE1 TYR 80 2HE TYR 80 -6.102 -11.136 -0.121 524 HE2 TYR 80 1HE TYR 80 -2.135 -10.371 1.249 525 HH TYR 80 HH TYR 80 -4.018 -12.184 -0.907 526 H THR 81 H THR 81 -3.815 -6.680 4.847 527 HA THR 81 HA THR 81 -4.814 -4.038 5.694 528 HB THR 81 HB THR 81 -2.980 -5.894 7.225 529 HG1 THR 81 1HG THR 81 -5.484 -6.080 7.102 530 HG21 THR 81 1HG2 THR 81 -2.387 -4.182 8.533 531 HG22 THR 81 2HG2 THR 81 -4.056 -3.630 8.679 532 HG23 THR 81 3HG2 THR 81 -3.072 -3.115 7.309 533 H LEU 82 H LEU 82 -3.851 -2.813 4.114 534 HA LEU 82 HA LEU 82 -1.129 -3.167 3.321 535 HB2 LEU 82 1HB LEU 82 -2.705 -0.652 2.913 536 HB3 LEU 82 2HB LEU 82 -1.448 -1.345 1.891 537 HG LEU 82 HG LEU 82 -4.162 -2.602 2.252 538 HD11 LEU 82 1HD1 LEU 82 -4.488 -1.655 -0.116 539 HD12 LEU 82 2HD1 LEU 82 -3.216 -0.516 0.323 540 HD13 LEU 82 3HD1 LEU 82 -4.709 -0.572 1.259 541 HD21 LEU 82 1HD2 LEU 82 -1.790 -3.093 0.499 542 HD22 LEU 82 2HD2 LEU 82 -3.407 -3.534 -0.050 543 HD23 LEU 82 3HD2 LEU 82 -2.754 -4.241 1.429 544 H THR 83 H THR 83 0.671 -2.313 4.153 545 HA THR 83 HA THR 83 0.415 -0.126 6.107 546 HB THR 83 HB THR 83 2.317 -2.458 6.395 547 HG1 THR 83 1HG THR 83 0.905 -3.090 8.091 548 HG21 THR 83 1HG2 THR 83 1.655 -0.759 8.701 549 HG22 THR 83 2HG2 THR 83 2.562 0.050 7.422 550 HG23 THR 83 3HG2 THR 83 3.210 -1.406 8.177 551 H MET 84 H MET 84 1.268 1.549 5.016 552 HA MET 84 HA MET 84 3.812 1.142 3.599 553 HB2 MET 84 1HB MET 84 1.836 2.091 2.345 554 HB3 MET 84 2HB MET 84 1.956 3.513 3.373 555 HG2 MET 84 1HG MET 84 4.186 3.960 2.541 556 HG3 MET 84 2HG MET 84 4.134 2.495 1.564 557 HE1 MET 84 1HE MET 84 1.892 2.142 -0.079 558 HE2 MET 84 2HE MET 84 1.938 3.315 -1.395 559 HE3 MET 84 3HE MET 84 3.419 2.501 -0.886 560 H LYS 85 H LYS 85 5.628 2.121 4.269 561 HA LYS 85 HA LYS 85 5.418 4.235 6.301 562 HB2 LYS 85 1HB LYS 85 6.926 1.657 6.452 563 HB3 LYS 85 2HB LYS 85 7.602 3.084 7.227 564 HG2 LYS 85 1HG LYS 85 5.163 3.241 8.239 565 HG3 LYS 85 2HG LYS 85 5.190 1.505 7.921 566 HD2 LYS 85 1HD LYS 85 7.531 1.646 9.101 567 HD3 LYS 85 2HD LYS 85 6.858 3.124 9.793 568 HE2 LYS 85 1HE LYS 85 5.101 1.955 10.838 569 HE3 LYS 85 2HE LYS 85 5.387 0.505 9.877 570 HZ1 LYS 85 1HZ LYS 85 7.741 0.804 11.114 571 HZ2 LYS 85 2HZ LYS 85 6.482 -0.165 11.696 572 HZ3 LYS 85 3HZ LYS 85 6.691 1.402 12.298 573 H TYR 86 H TYR 86 6.463 5.996 5.673 574 HA TYR 86 HA TYR 86 8.555 5.748 3.631 575 HB2 TYR 86 1HB TYR 86 6.581 7.239 3.204 576 HB3 TYR 86 2HB TYR 86 7.124 8.252 4.537 577 HD1 TYR 86 2HD TYR 86 7.889 7.112 1.124 578 HD2 TYR 86 1HD TYR 86 9.001 9.731 4.287 579 HE1 TYR 86 2HE TYR 86 9.351 8.347 -0.421 580 HE2 TYR 86 1HE TYR 86 10.465 10.975 2.751 581 HH TYR 86 HH TYR 86 11.680 10.539 0.610 582 H GLY 87 H GLY 87 10.578 5.746 4.340 583 HA2 GLY 87 1HA GLY 87 12.483 6.407 5.451 584 HA3 GLY 87 2HA GLY 87 11.589 7.806 6.028 585 H GLY 88 H GLY 88 9.727 5.285 6.897 586 HA2 GLY 88 1HA GLY 88 10.162 3.695 8.742 587 HA3 GLY 88 2HA GLY 88 11.124 4.966 9.483 588 H GLU 89 H GLU 89 8.474 6.353 8.031 589 HA GLU 89 HA GLU 89 6.892 6.190 10.511 590 HB2 GLU 89 1HB GLU 89 7.317 8.630 8.776 591 HB3 GLU 89 2HB GLU 89 6.269 8.550 10.185 592 HG2 GLU 89 1HG GLU 89 9.114 7.804 10.542 593 HG3 GLU 89 2HG GLU 89 8.729 9.508 10.306 594 H LEU 90 H LEU 90 4.710 5.976 10.307 595 HA LEU 90 HA LEU 90 3.660 4.889 7.950 596 HB2 LEU 90 1HB LEU 90 2.555 5.818 10.538 597 HB3 LEU 90 2HB LEU 90 1.420 5.616 9.205 598 HG LEU 90 HG LEU 90 3.232 3.459 10.288 599 HD11 LEU 90 1HD1 LEU 90 1.128 2.484 11.146 600 HD12 LEU 90 2HD1 LEU 90 0.288 3.965 10.689 601 HD13 LEU 90 3HD1 LEU 90 1.551 4.012 11.919 602 HD21 LEU 90 1HD2 LEU 90 2.103 3.647 7.792 603 HD22 LEU 90 2HD2 LEU 90 0.914 2.704 8.689 604 HD23 LEU 90 3HD2 LEU 90 2.587 2.153 8.594 605 H VAL 91 H VAL 91 2.192 5.695 6.427 606 HA VAL 91 HA VAL 91 2.400 8.584 6.002 607 HB VAL 91 HB VAL 91 1.187 7.736 3.762 608 HG11 VAL 91 1HG1 VAL 91 4.145 7.352 4.143 609 HG12 VAL 91 2HG1 VAL 91 3.289 7.880 2.693 610 HG13 VAL 91 3HG1 VAL 91 3.388 8.944 4.097 611 HG21 VAL 91 1HG2 VAL 91 2.964 5.405 4.403 612 HG22 VAL 91 2HG2 VAL 91 1.240 5.377 4.773 613 HG23 VAL 91 3HG2 VAL 91 1.781 5.572 3.106 614 HA PRO 92 HA PRO 92 -1.812 9.493 6.828 615 HB2 PRO 92 1HB PRO 92 -2.458 11.215 4.832 616 HB3 PRO 92 2HB PRO 92 -1.385 11.651 6.167 617 HG2 PRO 92 1HG PRO 92 -0.693 10.800 3.382 618 HG3 PRO 92 2HG PRO 92 0.011 12.099 4.363 619 HD2 PRO 92 1HD PRO 92 1.207 9.688 4.063 620 HD3 PRO 92 2HD PRO 92 1.351 10.648 5.550 621 H HIS 93 H HIS 93 -0.972 7.538 4.335 622 HA HIS 93 HA HIS 93 -3.779 7.122 3.538 623 HB2 HIS 93 1HB HIS 93 -1.262 7.038 1.902 624 HB3 HIS 93 2HB HIS 93 -2.668 6.095 1.417 625 HD1 HIS 93 1HD HIS 93 -4.518 7.314 0.230 626 HD2 HIS 93 2HD HIS 93 -1.716 9.887 1.901 627 HE1 HIS 93 1HE HIS 93 -5.102 9.601 -0.639 628 HE2 HIS 93 2HE HIS 93 -3.342 11.127 0.317 629 H PHE 94 H PHE 94 -1.970 5.940 5.674 630 HA PHE 94 HA PHE 94 -2.815 3.214 5.291 631 HB2 PHE 94 1HB PHE 94 0.134 3.866 5.467 632 HB3 PHE 94 2HB PHE 94 -0.549 2.249 5.605 633 HD1 PHE 94 2HD PHE 94 -0.236 5.138 3.302 634 HD2 PHE 94 1HD PHE 94 -0.959 0.963 3.707 635 HE1 PHE 94 2HE PHE 94 -0.116 4.884 0.858 636 HE2 PHE 94 1HE PHE 94 -0.839 0.702 1.263 637 HZ PHE 94 HZ PHE 94 -0.418 2.664 -0.165 638 HA PRO 95 HA PRO 95 -2.073 1.216 6.320 639 HB2 PRO 95 1HB PRO 95 -3.808 -0.214 7.842 640 HB3 PRO 95 2HB PRO 95 -2.080 -0.109 8.197 641 HG2 PRO 95 1HG PRO 95 -4.359 1.402 9.415 642 HG3 PRO 95 2HG PRO 95 -2.954 0.664 10.208 643 HD2 PRO 95 1HD PRO 95 -3.105 3.317 9.685 644 HD3 PRO 95 2HD PRO 95 -1.569 2.427 9.674 645 H ALA 96 H ALA 96 -3.656 0.297 4.955 646 HA ALA 96 HA ALA 96 -6.299 1.581 4.981 647 HB1 ALA 96 1HB ALA 96 -4.905 2.781 3.366 648 HB2 ALA 96 2HB ALA 96 -4.576 1.265 2.525 649 HB3 ALA 96 3HB ALA 96 -6.217 1.910 2.570 650 H ARG 97 H ARG 97 -7.653 -0.058 5.336 651 HA ARG 97 HA ARG 97 -7.099 -2.747 4.569 652 HB2 ARG 97 1HB ARG 97 -9.309 -3.255 5.450 653 HB3 ARG 97 2HB ARG 97 -8.450 -2.184 6.550 654 HG2 ARG 97 1HG ARG 97 -10.468 -1.154 6.546 655 HG3 ARG 97 2HG ARG 97 -9.740 -0.334 5.163 656 HD2 ARG 97 1HD ARG 97 -10.970 -1.560 3.626 657 HD3 ARG 97 2HD ARG 97 -11.285 -2.864 4.770 658 HE ARG 97 HE ARG 97 -13.131 -1.727 5.502 659 HH11 ARG 97 1HH1 ARG 97 -11.101 0.443 3.687 660 HH12 ARG 97 2HH1 ARG 97 -12.258 1.733 3.685 661 HH21 ARG 97 1HH2 ARG 97 -14.662 -0.036 5.507 662 HH22 ARG 97 2HH2 ARG 97 -14.283 1.459 4.722 663 H VAL 98 H VAL 98 -7.967 -3.978 2.934 664 HA VAL 98 HA VAL 98 -9.830 -2.751 1.058 665 HB VAL 98 HB VAL 98 -7.152 -3.824 0.158 666 HG11 VAL 98 1HG1 VAL 98 -9.489 -2.714 -1.389 667 HG12 VAL 98 2HG1 VAL 98 -7.891 -3.019 -2.074 668 HG13 VAL 98 3HG1 VAL 98 -8.855 -4.358 -1.450 669 HG21 VAL 98 1HG2 VAL 98 -7.165 -1.545 1.250 670 HG22 VAL 98 2HG2 VAL 98 -6.544 -1.604 -0.399 671 HG23 VAL 98 3HG2 VAL 98 -8.173 -1.004 -0.091 672 H LYS 99 H LYS 99 -11.358 -4.194 0.655 673 HA LYS 99 HA LYS 99 -11.020 -6.966 1.304 674 HB2 LYS 99 1HB LYS 99 -13.157 -5.868 1.694 675 HB3 LYS 99 2HB LYS 99 -13.306 -5.493 -0.018 676 HG2 LYS 99 1HG LYS 99 -13.892 -7.622 -0.578 677 HG3 LYS 99 2HG LYS 99 -12.993 -8.341 0.760 678 HD2 LYS 99 1HD LYS 99 -15.284 -8.634 1.273 679 HD3 LYS 99 2HD LYS 99 -14.720 -7.313 2.299 680 HE2 LYS 99 1HE LYS 99 -16.849 -6.703 1.390 681 HE3 LYS 99 2HE LYS 99 -15.614 -5.712 0.616 682 HZ1 LYS 99 1HZ LYS 99 -17.128 -6.484 -1.039 683 HZ2 LYS 99 2HZ LYS 99 -16.968 -8.090 -0.534 684 HZ3 LYS 99 3HZ LYS 99 -15.663 -7.299 -1.263 685 H VAL 100 H VAL 100 -10.019 -8.360 0.020 686 HA VAL 100 HA VAL 100 -9.912 -7.875 -2.858 687 HB VAL 100 HB VAL 100 -8.446 -9.842 -1.100 688 HG11 VAL 100 1HG1 VAL 100 -8.892 -9.853 -3.973 689 HG12 VAL 100 2HG1 VAL 100 -7.179 -9.823 -3.549 690 HG13 VAL 100 3HG1 VAL 100 -8.220 -11.104 -2.927 691 HG21 VAL 100 1HG2 VAL 100 -7.132 -7.767 -2.780 692 HG22 VAL 100 2HG2 VAL 100 -7.916 -7.266 -1.282 693 HG23 VAL 100 3HG2 VAL 100 -6.622 -8.464 -1.243 694 H GLU 101 H GLU 101 -10.937 -9.084 -4.346 695 HA GLU 101 HA GLU 101 -12.756 -11.155 -3.367 696 HB2 GLU 101 1HB GLU 101 -12.668 -9.415 -5.797 697 HB3 GLU 101 2HB GLU 101 -13.544 -10.937 -5.871 698 HG2 GLU 101 1HG GLU 101 -14.060 -8.992 -3.662 699 HG3 GLU 101 2HG GLU 101 -14.809 -8.782 -5.244 700 HA PRO 102 HA PRO 102 -10.551 -14.530 -5.097 701 HB2 PRO 102 1HB PRO 102 -12.569 -16.125 -5.967 702 HB3 PRO 102 2HB PRO 102 -12.195 -15.896 -4.254 703 HG2 PRO 102 1HG PRO 102 -14.314 -14.594 -5.921 704 HG3 PRO 102 2HG PRO 102 -14.426 -15.240 -4.274 705 HD2 PRO 102 1HD PRO 102 -14.151 -12.595 -4.786 706 HD3 PRO 102 2HD PRO 102 -13.469 -13.364 -3.338 707 H ALA 103 H ALA 103 -9.822 -15.442 -7.028 708 HA ALA 103 HA ALA 103 -10.504 -13.920 -9.417 709 HB1 ALA 103 1HB ALA 103 -8.457 -16.009 -9.644 710 HB2 ALA 103 2HB ALA 103 -8.408 -14.311 -10.120 711 HB3 ALA 103 3HB ALA 103 -8.114 -14.765 -8.441 712 H VAL 104 H VAL 104 -12.474 -15.752 -8.475 713 HA VAL 104 HA VAL 104 -12.387 -18.196 -9.927 714 HB VAL 104 HB VAL 104 -14.765 -18.408 -9.375 715 HG11 VAL 104 1HG1 VAL 104 -14.376 -17.801 -6.784 716 HG12 VAL 104 2HG1 VAL 104 -13.674 -19.217 -7.569 717 HG13 VAL 104 3HG1 VAL 104 -12.710 -17.754 -7.361 718 HG21 VAL 104 1HG2 VAL 104 -14.571 -15.539 -9.146 719 HG22 VAL 104 2HG2 VAL 104 -16.003 -16.561 -9.262 720 HG23 VAL 104 3HG2 VAL 104 -15.270 -16.246 -7.689 721 H ASP 105 H ASP 105 -12.433 -18.335 -12.065 722 HA ASP 105 HA ASP 105 -13.797 -16.277 -13.629 723 HB2 ASP 105 1HB ASP 105 -11.946 -18.517 -14.468 724 HB3 ASP 105 2HB ASP 105 -12.664 -17.346 -15.570 725 H THR 106 H THR 106 -15.476 -16.689 -15.023 726 HA THR 106 HA THR 106 -16.824 -19.273 -14.634 727 HB THR 106 HB THR 106 -17.979 -16.644 -15.585 728 HG1 THR 106 1HG THR 106 -17.858 -17.937 -13.082 729 HG21 THR 106 1HG2 THR 106 -20.098 -17.669 -15.601 730 HG22 THR 106 2HG2 THR 106 -19.508 -19.093 -14.743 731 HG23 THR 106 3HG2 THR 106 -19.039 -18.816 -16.420 732 H SER 107 H SER 107 -16.399 -16.810 -17.184 733 HA SER 107 HA SER 107 -17.029 -18.704 -19.256 734 HB2 SER 107 1HB SER 107 -17.574 -16.251 -19.380 735 HB3 SER 107 2HB SER 107 -15.849 -15.936 -19.568 736 HG SER 107 HG SER 107 -17.181 -17.743 -21.271 737 H SER 108 H SER 108 -15.393 -20.292 -18.807 738 HA SER 108 HA SER 108 -12.615 -19.604 -19.120 739 HB2 SER 108 1HB SER 108 -14.124 -22.170 -18.705 740 HB3 SER 108 2HB SER 108 -12.419 -22.201 -19.154 741 HG SER 108 HG SER 108 -13.514 -20.848 -16.910 742 H GLY 109 H GLY 109 -14.875 -21.659 -20.972 743 HA2 GLY 109 1HA GLY 109 -15.007 -22.081 -23.228 744 HA3 GLY 109 2HA GLY 109 -14.002 -20.661 -23.481 745 HA PRO 110 HA PRO 110 -11.708 -24.784 -24.229 746 HB2 PRO 110 1HB PRO 110 -11.833 -24.854 -26.940 747 HB3 PRO 110 2HB PRO 110 -13.039 -25.625 -25.903 748 HG2 PRO 110 1HG PRO 110 -13.160 -22.986 -27.311 749 HG3 PRO 110 2HG PRO 110 -14.414 -24.230 -27.157 750 HD2 PRO 110 1HD PRO 110 -14.377 -22.001 -25.620 751 HD3 PRO 110 2HD PRO 110 -14.998 -23.557 -25.031 752 H SER 111 H SER 111 -9.592 -24.413 -24.126 753 HA SER 111 HA SER 111 -8.403 -21.972 -24.916 754 HB2 SER 111 1HB SER 111 -7.636 -23.689 -23.121 755 HB3 SER 111 2HB SER 111 -6.820 -24.488 -24.465 756 HG SER 111 HG SER 111 -5.325 -23.037 -24.307 757 H SER 112 H SER 112 -7.529 -21.342 -26.784 758 HA SER 112 HA SER 112 -7.177 -23.370 -28.894 759 HB2 SER 112 1HB SER 112 -7.568 -21.449 -30.492 760 HB3 SER 112 2HB SER 112 -8.970 -21.913 -29.528 761 HG SER 112 HG SER 112 -8.910 -20.048 -28.532 762 H GLY 113 H GLY 113 -5.121 -22.886 -27.091 763 HA2 GLY 113 1HA GLY 113 -3.036 -22.072 -28.903 764 HA3 GLY 113 2HA GLY 113 -3.258 -20.960 -27.561 Start of MODEL 10 1 H1 GLY 1 H GLY 1 26.527 16.957 2.167 2 HA2 GLY 1 1HA GLY 1 28.729 17.425 1.251 3 HA3 GLY 1 2HA GLY 1 27.742 16.732 -0.027 4 H SER 2 H SER 2 26.940 18.064 -1.671 5 HA SER 2 HA SER 2 28.502 20.496 -2.053 6 HB2 SER 2 1HB SER 2 26.970 18.660 -3.851 7 HB3 SER 2 2HB SER 2 27.253 20.320 -4.376 8 HG SER 2 HG SER 2 29.348 19.932 -4.540 9 H SER 3 H SER 3 25.104 19.458 -2.164 10 HA SER 3 HA SER 3 24.300 22.281 -1.968 11 HB2 SER 3 1HB SER 3 23.429 20.891 -3.893 12 HB3 SER 3 2HB SER 3 22.536 19.939 -2.707 13 HG SER 3 HG SER 3 21.642 22.031 -3.837 14 H GLY 4 H GLY 4 22.017 22.418 -0.821 15 HA2 GLY 4 1HA GLY 4 22.438 21.249 1.838 16 HA3 GLY 4 2HA GLY 4 21.454 22.660 1.479 17 H SER 5 H SER 5 20.245 21.012 3.078 18 HA SER 5 HA SER 5 18.923 18.792 1.987 19 HB2 SER 5 1HB SER 5 19.110 19.496 4.449 20 HB3 SER 5 2HB SER 5 17.740 20.558 4.127 21 HG SER 5 HG SER 5 17.859 17.763 4.188 22 H SER 6 H SER 6 17.864 22.170 2.320 23 HA SER 6 HA SER 6 15.982 23.225 1.510 24 HB2 SER 6 1HB SER 6 17.746 23.186 -0.338 25 HB3 SER 6 2HB SER 6 16.798 21.893 -1.074 26 HG SER 6 HG SER 6 16.314 24.589 -0.976 27 H GLY 7 H GLY 7 15.124 20.958 2.751 28 HA2 GLY 7 1HA GLY 7 12.577 20.550 1.909 29 HA3 GLY 7 2HA GLY 7 13.489 19.368 0.982 30 HA PRO 8 HA PRO 8 13.585 18.302 5.744 31 HB2 PRO 8 1HB PRO 8 11.269 18.973 6.990 32 HB3 PRO 8 2HB PRO 8 12.680 20.036 6.948 33 HG2 PRO 8 1HG PRO 8 10.212 20.097 5.255 34 HG3 PRO 8 2HG PRO 8 11.085 21.444 6.010 35 HD2 PRO 8 1HD PRO 8 11.361 20.814 3.391 36 HD3 PRO 8 2HD PRO 8 12.686 21.500 4.353 37 H PHE 9 H PHE 9 13.060 16.241 6.204 38 HA PHE 9 HA PHE 9 11.384 14.753 4.511 39 HB2 PHE 9 1HB PHE 9 13.013 13.441 5.487 40 HB3 PHE 9 2HB PHE 9 12.833 14.204 7.063 41 HD1 PHE 9 2HD PHE 9 10.854 13.620 8.480 42 HD2 PHE 9 1HD PHE 9 11.856 11.471 4.945 43 HE1 PHE 9 2HE PHE 9 9.457 11.739 9.232 44 HE2 PHE 9 1HE PHE 9 10.460 9.587 5.691 45 HZ PHE 9 HZ PHE 9 9.259 9.719 7.837 46 H ASP 10 H ASP 10 9.367 13.818 4.823 47 HA ASP 10 HA ASP 10 7.828 14.054 7.172 48 HB2 ASP 10 1HB ASP 10 7.970 16.483 6.168 49 HB3 ASP 10 2HB ASP 10 6.743 15.876 5.060 50 HA PRO 11 HA PRO 11 6.028 10.841 4.650 51 HB2 PRO 11 1HB PRO 11 4.426 9.844 6.601 52 HB3 PRO 11 2HB PRO 11 6.160 9.509 6.517 53 HG2 PRO 11 1HG PRO 11 4.696 11.503 8.203 54 HG3 PRO 11 2HG PRO 11 6.026 10.421 8.652 55 HD2 PRO 11 1HD PRO 11 6.408 13.041 8.087 56 HD3 PRO 11 2HD PRO 11 7.627 11.800 7.731 57 H SER 12 H SER 12 4.337 13.323 6.431 58 HA SER 12 HA SER 12 1.715 12.780 5.575 59 HB2 SER 12 1HB SER 12 2.250 14.324 7.427 60 HB3 SER 12 2HB SER 12 2.944 15.460 6.270 61 HG SER 12 HG SER 12 1.008 16.159 5.907 62 H LYS 13 H LYS 13 4.368 14.516 4.081 63 HA LYS 13 HA LYS 13 2.900 15.782 2.031 64 HB2 LYS 13 1HB LYS 13 5.782 14.877 1.934 65 HB3 LYS 13 2HB LYS 13 5.038 16.122 0.940 66 HG2 LYS 13 1HG LYS 13 5.158 16.335 3.930 67 HG3 LYS 13 2HG LYS 13 6.473 16.888 2.889 68 HD2 LYS 13 1HD LYS 13 5.291 18.831 3.036 69 HD3 LYS 13 2HD LYS 13 4.464 18.111 1.653 70 HE2 LYS 13 1HE LYS 13 2.650 18.651 2.919 71 HE3 LYS 13 2HE LYS 13 2.978 17.047 3.573 72 HZ1 LYS 13 1HZ LYS 13 2.819 18.244 5.485 73 HZ2 LYS 13 2HZ LYS 13 3.401 19.673 4.794 74 HZ3 LYS 13 3HZ LYS 13 4.476 18.431 5.198 75 H VAL 14 H VAL 14 4.161 12.554 2.396 76 HA VAL 14 HA VAL 14 4.085 11.750 -0.304 77 HB VAL 14 HB VAL 14 3.696 10.050 2.164 78 HG11 VAL 14 1HG1 VAL 14 3.900 9.438 -0.714 79 HG12 VAL 14 2HG1 VAL 14 4.866 8.428 0.364 80 HG13 VAL 14 3HG1 VAL 14 3.119 8.539 0.588 81 HG21 VAL 14 1HG2 VAL 14 6.194 10.751 0.626 82 HG22 VAL 14 2HG2 VAL 14 5.787 11.276 2.259 83 HG23 VAL 14 3HG2 VAL 14 6.102 9.572 1.934 84 H VAL 15 H VAL 15 2.451 11.252 -1.616 85 HA VAL 15 HA VAL 15 -0.227 10.908 -0.432 86 HB VAL 15 HB VAL 15 0.471 12.099 -3.120 87 HG11 VAL 15 1HG1 VAL 15 -1.898 10.833 -2.247 88 HG12 VAL 15 2HG1 VAL 15 -2.224 12.567 -2.310 89 HG13 VAL 15 3HG1 VAL 15 -1.627 11.728 -3.742 90 HG21 VAL 15 1HG2 VAL 15 0.113 14.183 -2.256 91 HG22 VAL 15 2HG2 VAL 15 -0.970 13.598 -0.994 92 HG23 VAL 15 3HG2 VAL 15 0.773 13.386 -0.829 93 H ALA 16 H ALA 16 -0.776 8.831 -0.518 94 HA ALA 16 HA ALA 16 0.046 7.234 -2.845 95 HB1 ALA 16 1HB ALA 16 0.368 6.659 -0.222 96 HB2 ALA 16 2HB ALA 16 -1.164 5.849 -0.551 97 HB3 ALA 16 3HB ALA 16 0.267 5.446 -1.499 98 H SER 17 H SER 17 -1.420 6.354 -4.195 99 HA SER 17 HA SER 17 -4.199 6.099 -3.459 100 HB2 SER 17 1HB SER 17 -3.244 8.216 -5.356 101 HB3 SER 17 2HB SER 17 -4.814 7.455 -5.617 102 HG SER 17 HG SER 17 -5.397 8.986 -4.266 103 H GLY 18 H GLY 18 -5.432 5.590 -5.733 104 HA2 GLY 18 1HA GLY 18 -4.806 4.501 -7.938 105 HA3 GLY 18 2HA GLY 18 -3.804 3.448 -6.950 106 HA PRO 19 HA PRO 19 -8.188 1.749 -7.503 107 HB2 PRO 19 1HB PRO 19 -7.539 -0.381 -9.056 108 HB3 PRO 19 2HB PRO 19 -7.970 1.199 -9.723 109 HG2 PRO 19 1HG PRO 19 -5.261 -0.002 -9.294 110 HG3 PRO 19 2HG PRO 19 -5.873 0.909 -10.687 111 HD2 PRO 19 1HD PRO 19 -4.305 2.032 -8.786 112 HD3 PRO 19 2HD PRO 19 -5.557 2.945 -9.653 113 H GLY 20 H GLY 20 -5.037 0.240 -6.978 114 HA2 GLY 20 1HA GLY 20 -5.851 -2.159 -5.818 115 HA3 GLY 20 2HA GLY 20 -4.342 -1.333 -5.459 116 H LEU 21 H LEU 21 -5.545 1.044 -4.382 117 HA LEU 21 HA LEU 21 -5.973 0.121 -1.702 118 HB2 LEU 21 1HB LEU 21 -5.762 2.772 -3.044 119 HB3 LEU 21 2HB LEU 21 -6.477 2.692 -1.435 120 HG LEU 21 HG LEU 21 -3.819 1.420 -1.870 121 HD11 LEU 21 1HD1 LEU 21 -4.130 3.943 -2.788 122 HD12 LEU 21 2HD1 LEU 21 -2.636 3.317 -2.092 123 HD13 LEU 21 3HD1 LEU 21 -3.748 4.254 -1.095 124 HD21 LEU 21 1HD2 LEU 21 -4.825 1.150 0.279 125 HD22 LEU 21 2HD2 LEU 21 -5.177 2.875 0.393 126 HD23 LEU 21 3HD2 LEU 21 -3.507 2.310 0.444 127 H GLU 22 H GLU 22 -7.991 0.380 -4.311 128 HA GLU 22 HA GLU 22 -10.344 1.076 -2.704 129 HB2 GLU 22 1HB GLU 22 -10.187 0.676 -5.693 130 HB3 GLU 22 2HB GLU 22 -11.522 1.373 -4.786 131 HG2 GLU 22 1HG GLU 22 -9.700 3.101 -4.037 132 HG3 GLU 22 2HG GLU 22 -8.894 2.561 -5.509 133 H HIS 23 H HIS 23 -8.964 -1.488 -4.682 134 HA HIS 23 HA HIS 23 -10.328 -3.523 -3.272 135 HB2 HIS 23 1HB HIS 23 -11.797 -4.357 -5.033 136 HB3 HIS 23 2HB HIS 23 -12.243 -2.710 -4.598 137 HD1 HIS 23 1HD HIS 23 -12.944 -4.035 -7.350 138 HD2 HIS 23 2HD HIS 23 -9.722 -1.508 -6.647 139 HE1 HIS 23 1HE HIS 23 -12.359 -3.053 -9.590 140 HE2 HIS 23 2HE HIS 23 -10.353 -1.593 -9.154 141 H GLY 24 H GLY 24 -9.912 -5.699 -4.217 142 HA2 GLY 24 1HA GLY 24 -7.807 -5.797 -6.234 143 HA3 GLY 24 2HA GLY 24 -7.370 -6.346 -4.623 144 H LYS 25 H LYS 25 -7.164 -8.053 -6.751 145 HA LYS 25 HA LYS 25 -9.243 -10.019 -6.102 146 HB2 LYS 25 1HB LYS 25 -9.537 -8.787 -8.381 147 HB3 LYS 25 2HB LYS 25 -8.204 -9.805 -8.908 148 HG2 LYS 25 1HG LYS 25 -9.508 -11.796 -8.273 149 HG3 LYS 25 2HG LYS 25 -10.857 -10.744 -7.836 150 HD2 LYS 25 1HD LYS 25 -11.214 -10.090 -10.056 151 HD3 LYS 25 2HD LYS 25 -9.620 -10.647 -10.570 152 HE2 LYS 25 1HE LYS 25 -10.379 -12.981 -10.030 153 HE3 LYS 25 2HE LYS 25 -11.999 -12.326 -9.800 154 HZ1 LYS 25 1HZ LYS 25 -11.213 -13.276 -12.104 155 HZ2 LYS 25 2HZ LYS 25 -10.616 -11.705 -12.301 156 HZ3 LYS 25 3HZ LYS 25 -12.264 -11.953 -12.012 157 H VAL 26 H VAL 26 -8.536 -12.095 -5.896 158 HA VAL 26 HA VAL 26 -5.924 -12.652 -5.247 159 HB VAL 26 HB VAL 26 -8.028 -14.532 -6.318 160 HG11 VAL 26 1HG1 VAL 26 -6.223 -15.873 -6.637 161 HG12 VAL 26 2HG1 VAL 26 -5.233 -15.008 -5.459 162 HG13 VAL 26 3HG1 VAL 26 -6.455 -16.157 -4.912 163 HG21 VAL 26 1HG2 VAL 26 -8.220 -13.180 -4.073 164 HG22 VAL 26 2HG2 VAL 26 -8.692 -14.878 -4.149 165 HG23 VAL 26 3HG2 VAL 26 -7.122 -14.428 -3.482 166 H GLY 27 H GLY 27 -4.164 -12.438 -6.463 167 HA2 GLY 27 1HA GLY 27 -2.748 -13.346 -8.166 168 HA3 GLY 27 2HA GLY 27 -4.177 -13.645 -9.144 169 H GLU 28 H GLU 28 -5.271 -10.962 -8.585 170 HA GLU 28 HA GLU 28 -4.160 -9.610 -10.800 171 HB2 GLU 28 1HB GLU 28 -6.170 -8.947 -8.699 172 HB3 GLU 28 2HB GLU 28 -5.515 -7.633 -9.665 173 HG2 GLU 28 1HG GLU 28 -6.855 -10.091 -10.770 174 HG3 GLU 28 2HG GLU 28 -7.623 -8.518 -10.558 175 H ALA 29 H ALA 29 -3.610 -7.133 -10.457 176 HA ALA 29 HA ALA 29 -1.533 -6.985 -8.369 177 HB1 ALA 29 1HB ALA 29 -0.055 -5.913 -9.835 178 HB2 ALA 29 2HB ALA 29 -0.749 -7.226 -10.787 179 HB3 ALA 29 3HB ALA 29 -1.326 -5.575 -11.011 180 H GLY 30 H GLY 30 -1.848 -5.423 -6.930 181 HA2 GLY 30 1HA GLY 30 -3.899 -3.439 -7.344 182 HA3 GLY 30 2HA GLY 30 -2.919 -3.644 -5.900 183 H LEU 31 H LEU 31 -3.305 -1.960 -8.876 184 HA LEU 31 HA LEU 31 -0.737 -0.810 -9.092 185 HB2 LEU 31 1HB LEU 31 -3.392 0.289 -10.002 186 HB3 LEU 31 2HB LEU 31 -1.808 0.845 -10.538 187 HG LEU 31 HG LEU 31 -2.891 -1.928 -11.025 188 HD11 LEU 31 1HD1 LEU 31 -2.569 -0.127 -13.304 189 HD12 LEU 31 2HD1 LEU 31 -3.836 0.360 -12.179 190 HD13 LEU 31 3HD1 LEU 31 -3.877 -1.244 -12.911 191 HD21 LEU 31 1HD2 LEU 31 -0.825 -2.414 -11.664 192 HD22 LEU 31 2HD2 LEU 31 -0.293 -0.785 -11.250 193 HD23 LEU 31 3HD2 LEU 31 -0.900 -1.129 -12.870 194 H LEU 32 H LEU 32 0.232 0.642 -7.850 195 HA LEU 32 HA LEU 32 -1.407 2.593 -6.390 196 HB2 LEU 32 1HB LEU 32 0.959 1.158 -5.199 197 HB3 LEU 32 2HB LEU 32 -0.094 2.321 -4.396 198 HG LEU 32 HG LEU 32 -0.934 -0.419 -5.341 199 HD11 LEU 32 1HD1 LEU 32 -1.155 -0.340 -2.606 200 HD12 LEU 32 2HD1 LEU 32 0.362 0.506 -2.904 201 HD13 LEU 32 3HD1 LEU 32 0.131 -1.131 -3.517 202 HD21 LEU 32 1HD2 LEU 32 -2.508 1.779 -4.921 203 HD22 LEU 32 2HD2 LEU 32 -2.543 0.985 -3.346 204 HD23 LEU 32 3HD2 LEU 32 -3.039 0.103 -4.791 205 H SER 33 H SER 33 -0.684 4.627 -6.525 206 HA SER 33 HA SER 33 2.041 5.050 -7.568 207 HB2 SER 33 1HB SER 33 -0.546 6.445 -8.216 208 HB3 SER 33 2HB SER 33 1.006 7.240 -8.481 209 HG SER 33 HG SER 33 0.135 6.029 -10.309 210 H VAL 34 H VAL 34 3.359 6.129 -6.269 211 HA VAL 34 HA VAL 34 2.196 7.676 -4.054 212 HB VAL 34 HB VAL 34 4.954 6.478 -4.343 213 HG11 VAL 34 1HG1 VAL 34 5.598 8.034 -2.883 214 HG12 VAL 34 2HG1 VAL 34 3.940 8.573 -2.612 215 HG13 VAL 34 3HG1 VAL 34 4.584 7.207 -1.701 216 HG21 VAL 34 1HG2 VAL 34 3.357 5.656 -2.068 217 HG22 VAL 34 2HG2 VAL 34 2.570 5.279 -3.600 218 HG23 VAL 34 3HG2 VAL 34 4.194 4.676 -3.271 219 H ASP 35 H ASP 35 2.060 9.772 -4.519 220 HA ASP 35 HA ASP 35 4.090 11.024 -6.209 221 HB2 ASP 35 1HB ASP 35 1.459 12.087 -5.159 222 HB3 ASP 35 2HB ASP 35 2.547 12.964 -6.232 223 H CYS 36 H CYS 36 5.837 11.724 -5.170 224 HA CYS 36 HA CYS 36 5.538 12.848 -2.475 225 HB2 CYS 36 1HB CYS 36 7.970 12.530 -2.269 226 HB3 CYS 36 2HB CYS 36 7.153 11.024 -2.669 227 HG CYS 36 HG CYS 36 9.747 11.539 -3.975 228 H SER 37 H SER 37 5.629 14.971 -2.200 229 HA SER 37 HA SER 37 6.786 16.613 -4.354 230 HB2 SER 37 1HB SER 37 4.511 17.095 -2.447 231 HB3 SER 37 2HB SER 37 5.339 18.446 -3.220 232 HG SER 37 HG SER 37 4.533 16.346 -4.858 233 H GLU 38 H GLU 38 6.213 16.802 -0.835 234 HA GLU 38 HA GLU 38 8.886 18.014 -0.572 235 HB2 GLU 38 1HB GLU 38 6.266 18.791 0.617 236 HB3 GLU 38 2HB GLU 38 7.709 18.999 1.600 237 HG2 GLU 38 1HG GLU 38 8.629 20.560 0.144 238 HG3 GLU 38 2HG GLU 38 7.581 20.076 -1.188 239 H ALA 39 H ALA 39 7.641 15.204 -0.250 240 HA ALA 39 HA ALA 39 7.679 14.415 2.414 241 HB1 ALA 39 1HB ALA 39 7.071 12.543 1.391 242 HB2 ALA 39 2HB ALA 39 7.691 13.130 -0.153 243 HB3 ALA 39 3HB ALA 39 8.761 12.279 0.961 244 H GLY 40 H GLY 40 10.279 15.364 0.372 245 HA2 GLY 40 1HA GLY 40 12.506 15.694 0.852 246 HA3 GLY 40 2HA GLY 40 12.147 15.279 2.522 247 HA PRO 41 HA PRO 41 14.858 11.935 0.907 248 HB2 PRO 41 1HB PRO 41 16.241 11.645 3.225 249 HB3 PRO 41 2HB PRO 41 16.660 12.850 2.000 250 HG2 PRO 41 1HG PRO 41 15.112 13.189 4.540 251 HG3 PRO 41 2HG PRO 41 16.366 14.233 3.846 252 HD2 PRO 41 1HD PRO 41 13.725 14.785 3.625 253 HD3 PRO 41 2HD PRO 41 14.901 15.226 2.370 254 H GLY 42 H GLY 42 15.528 9.874 2.419 255 HA2 GLY 42 1HA GLY 42 14.716 8.301 4.040 256 HA3 GLY 42 2HA GLY 42 13.120 9.020 3.880 257 H ALA 43 H ALA 43 13.801 6.228 3.701 258 HA ALA 43 HA ALA 43 13.334 5.651 0.859 259 HB1 ALA 43 1HB ALA 43 14.243 3.549 1.176 260 HB2 ALA 43 2HB ALA 43 15.202 4.539 2.277 261 HB3 ALA 43 3HB ALA 43 13.889 3.542 2.904 262 H LEU 44 H LEU 44 11.510 4.652 0.152 263 HA LEU 44 HA LEU 44 9.292 4.512 2.034 264 HB2 LEU 44 1HB LEU 44 8.690 5.650 0.095 265 HB3 LEU 44 2HB LEU 44 9.531 4.507 -0.949 266 HG LEU 44 HG LEU 44 7.704 2.837 -0.110 267 HD11 LEU 44 1HD1 LEU 44 5.524 4.151 0.144 268 HD12 LEU 44 2HD1 LEU 44 6.550 5.523 0.560 269 HD13 LEU 44 3HD1 LEU 44 6.595 4.059 1.542 270 HD21 LEU 44 1HD2 LEU 44 6.523 3.214 -2.071 271 HD22 LEU 44 2HD2 LEU 44 8.101 3.921 -2.421 272 HD23 LEU 44 3HD2 LEU 44 6.744 4.962 -1.988 273 H GLY 45 H GLY 45 8.018 2.676 2.362 274 HA2 GLY 45 1HA GLY 45 8.782 0.164 1.123 275 HA3 GLY 45 2HA GLY 45 9.130 0.283 2.841 276 H LEU 46 H LEU 46 7.157 -1.289 1.081 277 HA LEU 46 HA LEU 46 4.783 -0.707 2.726 278 HB2 LEU 46 1HB LEU 46 4.456 -0.093 0.364 279 HB3 LEU 46 2HB LEU 46 4.827 -1.751 -0.102 280 HG LEU 46 HG LEU 46 2.795 -2.304 1.478 281 HD11 LEU 46 1HD1 LEU 46 1.261 -0.666 1.863 282 HD12 LEU 46 2HD1 LEU 46 1.762 0.291 0.470 283 HD13 LEU 46 3HD1 LEU 46 2.736 0.297 1.940 284 HD21 LEU 46 1HD2 LEU 46 1.501 -1.355 -0.829 285 HD22 LEU 46 2HD2 LEU 46 2.087 -2.988 -0.510 286 HD23 LEU 46 3HD2 LEU 46 3.129 -1.820 -1.325 287 H GLU 47 H GLU 47 3.579 -2.476 3.465 288 HA GLU 47 HA GLU 47 4.779 -5.127 3.054 289 HB2 GLU 47 1HB GLU 47 5.452 -3.988 5.254 290 HB3 GLU 47 2HB GLU 47 3.782 -4.225 5.747 291 HG2 GLU 47 1HG GLU 47 4.161 -6.690 5.170 292 HG3 GLU 47 2HG GLU 47 5.877 -6.285 5.176 293 H ALA 48 H ALA 48 3.233 -6.184 1.981 294 HA ALA 48 HA ALA 48 0.426 -5.746 2.625 295 HB1 ALA 48 1HB ALA 48 1.581 -7.562 0.518 296 HB2 ALA 48 2HB ALA 48 -0.076 -6.970 0.638 297 HB3 ALA 48 3HB ALA 48 1.234 -5.852 0.263 298 H VAL 49 H VAL 49 -0.779 -7.080 3.819 299 HA VAL 49 HA VAL 49 -0.045 -9.871 4.138 300 HB VAL 49 HB VAL 49 -0.236 -8.035 6.531 301 HG11 VAL 49 1HG1 VAL 49 -0.178 -11.007 6.238 302 HG12 VAL 49 2HG1 VAL 49 0.547 -10.251 7.658 303 HG13 VAL 49 3HG1 VAL 49 -1.163 -10.003 7.301 304 HG21 VAL 49 1HG2 VAL 49 2.101 -8.668 6.924 305 HG22 VAL 49 2HG2 VAL 49 2.102 -9.588 5.420 306 HG23 VAL 49 3HG2 VAL 49 1.902 -7.836 5.382 307 H SER 50 H SER 50 -1.828 -11.065 4.088 308 HA SER 50 HA SER 50 -4.415 -9.822 4.160 309 HB2 SER 50 1HB SER 50 -3.646 -11.813 2.694 310 HB3 SER 50 2HB SER 50 -3.951 -12.796 4.126 311 HG SER 50 HG SER 50 -5.727 -11.553 2.418 312 H ASP 51 H ASP 51 -6.208 -10.815 5.464 313 HA ASP 51 HA ASP 51 -5.844 -10.427 8.163 314 HB2 ASP 51 1HB ASP 51 -8.002 -11.467 8.498 315 HB3 ASP 51 2HB ASP 51 -8.045 -10.533 7.005 316 H SER 52 H SER 52 -5.546 -13.419 6.323 317 HA SER 52 HA SER 52 -5.008 -14.973 8.712 318 HB2 SER 52 1HB SER 52 -6.237 -15.746 6.530 319 HB3 SER 52 2HB SER 52 -4.601 -16.014 5.928 320 HG SER 52 HG SER 52 -4.255 -17.491 7.535 321 H GLY 53 H GLY 53 -3.213 -12.758 7.915 322 HA2 GLY 53 1HA GLY 53 -0.964 -12.312 7.776 323 HA3 GLY 53 2HA GLY 53 -0.763 -13.843 8.614 324 H THR 54 H THR 54 -1.573 -12.689 5.338 325 HA THR 54 HA THR 54 0.205 -14.788 4.279 326 HB THR 54 HB THR 54 -2.102 -13.469 2.837 327 HG1 THR 54 1HG THR 54 -2.091 -16.162 3.668 328 HG21 THR 54 1HG2 THR 54 -0.017 -15.432 2.083 329 HG22 THR 54 2HG2 THR 54 -0.866 -14.244 1.094 330 HG23 THR 54 3HG2 THR 54 -1.654 -15.763 1.521 331 H LYS 55 H LYS 55 2.106 -13.913 3.767 332 HA LYS 55 HA LYS 55 2.501 -11.182 3.143 333 HB2 LYS 55 1HB LYS 55 4.265 -13.599 2.734 334 HB3 LYS 55 2HB LYS 55 4.791 -11.947 2.440 335 HG2 LYS 55 1HG LYS 55 4.652 -11.383 4.715 336 HG3 LYS 55 2HG LYS 55 3.712 -12.827 5.098 337 HD2 LYS 55 1HD LYS 55 5.551 -14.201 5.053 338 HD3 LYS 55 2HD LYS 55 6.433 -13.162 3.931 339 HE2 LYS 55 1HE LYS 55 5.839 -12.396 6.782 340 HE3 LYS 55 2HE LYS 55 7.316 -13.223 6.291 341 HZ1 LYS 55 1HZ LYS 55 7.628 -10.828 6.425 342 HZ2 LYS 55 2HZ LYS 55 6.408 -10.582 5.280 343 HZ3 LYS 55 3HZ LYS 55 7.836 -11.373 4.837 344 H ALA 56 H ALA 56 1.765 -10.235 1.361 345 HA ALA 56 HA ALA 56 1.467 -11.751 -1.105 346 HB1 ALA 56 1HB ALA 56 0.854 -8.882 -1.155 347 HB2 ALA 56 2HB ALA 56 -0.111 -10.261 -1.682 348 HB3 ALA 56 3HB ALA 56 -0.066 -9.817 0.024 349 H GLU 57 H GLU 57 2.499 -11.276 -3.038 350 HA GLU 57 HA GLU 57 5.168 -10.413 -2.876 351 HB2 GLU 57 1HB GLU 57 3.881 -11.890 -4.654 352 HB3 GLU 57 2HB GLU 57 3.723 -10.350 -5.487 353 HG2 GLU 57 1HG GLU 57 6.271 -10.160 -5.141 354 HG3 GLU 57 2HG GLU 57 6.196 -11.895 -4.838 355 H VAL 58 H VAL 58 5.741 -8.392 -2.406 356 HA VAL 58 HA VAL 58 4.358 -6.193 -3.802 357 HB VAL 58 HB VAL 58 5.633 -6.142 -1.063 358 HG11 VAL 58 1HG1 VAL 58 5.195 -3.859 -0.929 359 HG12 VAL 58 2HG1 VAL 58 5.824 -4.058 -2.566 360 HG13 VAL 58 3HG1 VAL 58 4.088 -3.892 -2.302 361 HG21 VAL 58 1HG2 VAL 58 3.431 -5.861 -0.194 362 HG22 VAL 58 2HG2 VAL 58 2.746 -5.712 -1.812 363 HG23 VAL 58 3HG2 VAL 58 3.395 -7.259 -1.269 364 H SER 59 H SER 59 5.584 -4.602 -4.741 365 HA SER 59 HA SER 59 8.491 -4.714 -4.462 366 HB2 SER 59 1HB SER 59 7.990 -6.164 -6.378 367 HB3 SER 59 2HB SER 59 7.068 -4.863 -7.132 368 HG SER 59 HG SER 59 9.001 -3.651 -7.226 369 H ILE 60 H ILE 60 9.546 -2.783 -4.921 370 HA ILE 60 HA ILE 60 7.786 -0.475 -5.437 371 HB ILE 60 HB ILE 60 10.216 -0.537 -3.643 372 HG12 ILE 60 1HG1 ILE 60 7.405 0.033 -2.756 373 HG13 ILE 60 2HG1 ILE 60 7.969 -1.629 -2.896 374 HG21 ILE 60 1HG2 ILE 60 8.648 1.771 -3.237 375 HG22 ILE 60 2HG2 ILE 60 10.283 1.666 -3.888 376 HG23 ILE 60 3HG2 ILE 60 8.896 1.613 -4.976 377 HD11 ILE 60 1HD1 ILE 60 8.917 0.526 -1.051 378 HD12 ILE 60 2HD1 ILE 60 8.318 -1.088 -0.666 379 HD13 ILE 60 3HD1 ILE 60 9.908 -0.890 -1.402 380 H GLN 61 H GLN 61 8.310 0.737 -7.133 381 HA GLN 61 HA GLN 61 11.042 0.514 -8.217 382 HB2 GLN 61 1HB GLN 61 9.039 -0.494 -9.537 383 HB3 GLN 61 2HB GLN 61 8.666 1.180 -9.925 384 HG2 GLN 61 1HG GLN 61 11.116 1.316 -10.703 385 HG3 GLN 61 2HG GLN 61 11.050 -0.446 -10.703 386 HE21 GLN 61 1HE2 GLN 61 10.086 2.449 -12.278 387 HE22 GLN 61 2HE2 GLN 61 9.304 1.715 -13.632 388 H ASN 62 H ASN 62 12.160 2.345 -8.323 389 HA ASN 62 HA ASN 62 10.814 4.857 -7.729 390 HB2 ASN 62 1HB ASN 62 12.980 4.075 -6.609 391 HB3 ASN 62 2HB ASN 62 13.777 4.469 -8.129 392 HD21 ASN 62 1HD2 ASN 62 14.771 5.792 -6.168 393 HD22 ASN 62 2HD2 ASN 62 14.195 7.418 -6.075 394 H ASN 63 H ASN 63 10.681 6.584 -9.090 395 HA ASN 63 HA ASN 63 11.713 6.202 -11.824 396 HB2 ASN 63 1HB ASN 63 9.067 7.345 -10.922 397 HB3 ASN 63 2HB ASN 63 9.700 7.567 -12.551 398 HD21 ASN 63 1HD2 ASN 63 8.033 5.516 -10.432 399 HD22 ASN 63 2HD2 ASN 63 7.869 4.160 -11.489 400 H LYS 64 H LYS 64 11.870 8.307 -13.047 401 HA LYS 64 HA LYS 64 13.228 10.247 -11.349 402 HB2 LYS 64 1HB LYS 64 13.102 9.876 -14.341 403 HB3 LYS 64 2HB LYS 64 13.911 11.238 -13.578 404 HG2 LYS 64 1HG LYS 64 15.190 9.392 -12.264 405 HG3 LYS 64 2HG LYS 64 14.664 8.352 -13.590 406 HD2 LYS 64 1HD LYS 64 16.093 10.969 -14.016 407 HD3 LYS 64 2HD LYS 64 16.934 9.424 -13.866 408 HE2 LYS 64 1HE LYS 64 14.737 9.874 -15.869 409 HE3 LYS 64 2HE LYS 64 16.423 10.250 -16.222 410 HZ1 LYS 64 1HZ LYS 64 17.016 7.974 -15.873 411 HZ2 LYS 64 2HZ LYS 64 15.730 8.019 -16.970 412 HZ3 LYS 64 3HZ LYS 64 15.452 7.580 -15.360 413 H ASP 65 H ASP 65 10.195 9.900 -11.746 414 HA ASP 65 HA ASP 65 9.625 12.701 -12.465 415 HB2 ASP 65 1HB ASP 65 7.931 10.218 -12.742 416 HB3 ASP 65 2HB ASP 65 7.262 11.843 -12.864 417 H GLY 66 H GLY 66 10.504 11.789 -9.868 418 HA2 GLY 66 1HA GLY 66 9.954 11.970 -7.643 419 HA3 GLY 66 2HA GLY 66 8.847 13.221 -8.190 420 H THR 67 H THR 67 8.656 9.811 -9.042 421 HA THR 67 HA THR 67 6.410 9.432 -7.211 422 HB THR 67 HB THR 67 5.077 8.382 -9.094 423 HG1 THR 67 1HG THR 67 6.095 8.292 -10.942 424 HG21 THR 67 1HG2 THR 67 5.525 11.326 -9.523 425 HG22 THR 67 2HG2 THR 67 4.729 10.701 -8.078 426 HG23 THR 67 3HG2 THR 67 4.026 10.410 -9.669 427 H TYR 68 H TYR 68 5.752 7.173 -7.026 428 HA TYR 68 HA TYR 68 7.878 5.298 -7.828 429 HB2 TYR 68 1HB TYR 68 6.409 5.395 -5.185 430 HB3 TYR 68 2HB TYR 68 7.515 4.115 -5.672 431 HD1 TYR 68 2HD TYR 68 7.276 7.690 -4.782 432 HD2 TYR 68 1HD TYR 68 9.876 4.407 -5.531 433 HE1 TYR 68 2HE TYR 68 9.161 8.984 -3.877 434 HE2 TYR 68 1HE TYR 68 11.769 5.691 -4.627 435 HH TYR 68 HH TYR 68 12.123 8.541 -4.413 436 H ALA 69 H ALA 69 7.237 3.125 -8.177 437 HA ALA 69 HA ALA 69 4.367 2.839 -8.776 438 HB1 ALA 69 1HB ALA 69 6.491 1.138 -10.023 439 HB2 ALA 69 2HB ALA 69 4.877 1.525 -10.619 440 HB3 ALA 69 3HB ALA 69 6.144 2.751 -10.647 441 H VAL 70 H VAL 70 3.638 1.972 -6.866 442 HA VAL 70 HA VAL 70 4.947 -0.454 -5.863 443 HB VAL 70 HB VAL 70 2.904 1.383 -4.620 444 HG11 VAL 70 1HG1 VAL 70 3.219 -0.125 -2.594 445 HG12 VAL 70 2HG1 VAL 70 2.213 -0.749 -3.902 446 HG13 VAL 70 3HG1 VAL 70 3.874 -1.315 -3.718 447 HG21 VAL 70 1HG2 VAL 70 4.609 1.903 -3.043 448 HG22 VAL 70 2HG2 VAL 70 5.653 0.619 -3.653 449 HG23 VAL 70 3HG2 VAL 70 5.329 2.039 -4.647 450 H THR 71 H THR 71 3.969 -2.413 -5.851 451 HA THR 71 HA THR 71 1.155 -2.622 -6.608 452 HB THR 71 HB THR 71 3.060 -4.444 -8.016 453 HG1 THR 71 1HG THR 71 2.274 -2.049 -9.268 454 HG21 THR 71 1HG2 THR 71 1.275 -4.369 -9.731 455 HG22 THR 71 2HG2 THR 71 0.365 -3.264 -8.699 456 HG23 THR 71 3HG2 THR 71 0.687 -4.912 -8.160 457 H TYR 72 H TYR 72 0.190 -4.634 -6.076 458 HA TYR 72 HA TYR 72 1.807 -6.512 -4.526 459 HB2 TYR 72 1HB TYR 72 0.415 -6.445 -2.605 460 HB3 TYR 72 2HB TYR 72 0.781 -4.768 -2.990 461 HD1 TYR 72 2HD TYR 72 -1.832 -7.383 -3.302 462 HD2 TYR 72 1HD TYR 72 -0.944 -3.223 -3.414 463 HE1 TYR 72 2HE TYR 72 -4.238 -6.877 -3.357 464 HE2 TYR 72 1HE TYR 72 -3.348 -2.706 -3.468 465 HH TYR 72 HH TYR 72 -5.432 -3.594 -3.092 466 H VAL 73 H VAL 73 1.178 -8.594 -4.733 467 HA VAL 73 HA VAL 73 -1.274 -9.098 -6.290 468 HB VAL 73 HB VAL 73 1.248 -10.759 -6.185 469 HG11 VAL 73 1HG1 VAL 73 -0.360 -12.344 -6.593 470 HG12 VAL 73 2HG1 VAL 73 -1.439 -11.201 -7.395 471 HG13 VAL 73 3HG1 VAL 73 -0.011 -11.807 -8.236 472 HG21 VAL 73 1HG2 VAL 73 1.253 -8.527 -7.452 473 HG22 VAL 73 2HG2 VAL 73 1.781 -9.968 -8.320 474 HG23 VAL 73 3HG2 VAL 73 0.161 -9.323 -8.585 475 HA PRO 74 HA PRO 74 -2.385 -11.020 -2.350 476 HB2 PRO 74 1HB PRO 74 -5.034 -11.163 -2.925 477 HB3 PRO 74 2HB PRO 74 -4.256 -9.687 -2.340 478 HG2 PRO 74 1HG PRO 74 -4.984 -10.464 -5.138 479 HG3 PRO 74 2HG PRO 74 -5.178 -8.900 -4.325 480 HD2 PRO 74 1HD PRO 74 -3.145 -9.407 -6.040 481 HD3 PRO 74 2HD PRO 74 -2.973 -8.313 -4.652 482 H LEU 75 H LEU 75 -1.879 -13.115 -2.200 483 HA LEU 75 HA LEU 75 -2.370 -14.989 -4.301 484 HB2 LEU 75 1HB LEU 75 -1.509 -15.464 -1.452 485 HB3 LEU 75 2HB LEU 75 -1.441 -16.642 -2.760 486 HG LEU 75 HG LEU 75 0.085 -14.059 -2.891 487 HD11 LEU 75 1HD1 LEU 75 0.812 -15.060 -0.846 488 HD12 LEU 75 2HD1 LEU 75 2.042 -15.363 -2.073 489 HD13 LEU 75 3HD1 LEU 75 0.929 -16.648 -1.604 490 HD21 LEU 75 1HD2 LEU 75 -0.018 -15.129 -4.984 491 HD22 LEU 75 2HD2 LEU 75 0.228 -16.725 -4.273 492 HD23 LEU 75 3HD2 LEU 75 1.556 -15.563 -4.316 493 H THR 76 H THR 76 -3.842 -14.296 -1.171 494 HA THR 76 HA THR 76 -6.026 -16.151 -1.869 495 HB THR 76 HB THR 76 -4.707 -16.888 0.111 496 HG1 THR 76 1HG THR 76 -7.437 -16.258 0.196 497 HG21 THR 76 1HG2 THR 76 -5.764 -14.330 1.320 498 HG22 THR 76 2HG2 THR 76 -4.073 -14.728 1.015 499 HG23 THR 76 3HG2 THR 76 -4.988 -15.631 2.222 500 H ALA 77 H ALA 77 -8.108 -15.437 -1.681 501 HA ALA 77 HA ALA 77 -8.564 -12.639 -1.782 502 HB1 ALA 77 1HB ALA 77 -11.024 -13.878 -1.306 503 HB2 ALA 77 2HB ALA 77 -10.339 -13.418 -2.865 504 HB3 ALA 77 3HB ALA 77 -10.076 -15.043 -2.231 505 H GLY 78 H GLY 78 -9.925 -11.382 -0.361 506 HA2 GLY 78 1HA GLY 78 -11.140 -11.541 1.868 507 HA3 GLY 78 2HA GLY 78 -9.632 -12.231 2.450 508 H MET 79 H MET 79 -10.394 -10.175 3.854 509 HA MET 79 HA MET 79 -9.682 -7.620 2.855 510 HB2 MET 79 1HB MET 79 -9.988 -8.681 5.664 511 HB3 MET 79 2HB MET 79 -9.637 -6.995 5.308 512 HG2 MET 79 1HG MET 79 -12.056 -8.483 4.317 513 HG3 MET 79 2HG MET 79 -12.025 -7.447 5.742 514 HE1 MET 79 1HE MET 79 -10.943 -5.241 5.683 515 HE2 MET 79 2HE MET 79 -10.923 -4.107 4.333 516 HE3 MET 79 3HE MET 79 -12.421 -4.397 5.220 517 H TYR 80 H TYR 80 -7.789 -6.526 2.868 518 HA TYR 80 HA TYR 80 -5.431 -7.955 3.910 519 HB2 TYR 80 1HB TYR 80 -5.899 -6.446 1.386 520 HB3 TYR 80 2HB TYR 80 -4.302 -6.333 2.117 521 HD1 TYR 80 2HD TYR 80 -6.799 -8.715 0.769 522 HD2 TYR 80 1HD TYR 80 -2.751 -8.104 1.926 523 HE1 TYR 80 2HE TYR 80 -6.190 -10.870 -0.248 524 HE2 TYR 80 1HE TYR 80 -2.130 -10.257 0.912 525 HH TYR 80 HH TYR 80 -2.863 -12.101 -0.090 526 H THR 81 H THR 81 -3.720 -6.686 4.787 527 HA THR 81 HA THR 81 -4.619 -4.067 5.801 528 HB THR 81 HB THR 81 -2.713 -6.007 7.127 529 HG1 THR 81 1HG THR 81 -4.412 -6.430 8.508 530 HG21 THR 81 1HG2 THR 81 -2.823 -3.279 7.435 531 HG22 THR 81 2HG2 THR 81 -2.216 -4.420 8.635 532 HG23 THR 81 3HG2 THR 81 -3.884 -3.855 8.720 533 H LEU 82 H LEU 82 -3.708 -2.841 4.146 534 HA LEU 82 HA LEU 82 -1.005 -3.140 3.302 535 HB2 LEU 82 1HB LEU 82 -2.621 -0.628 3.028 536 HB3 LEU 82 2HB LEU 82 -1.355 -1.242 1.966 537 HG LEU 82 HG LEU 82 -4.019 -2.607 2.285 538 HD11 LEU 82 1HD1 LEU 82 -3.273 -0.219 0.720 539 HD12 LEU 82 2HD1 LEU 82 -4.843 -0.732 1.337 540 HD13 LEU 82 3HD1 LEU 82 -4.192 -1.460 -0.131 541 HD21 LEU 82 1HD2 LEU 82 -2.757 -4.166 1.240 542 HD22 LEU 82 2HD2 LEU 82 -1.597 -2.983 0.636 543 HD23 LEU 82 3HD2 LEU 82 -3.147 -3.195 -0.180 544 H THR 83 H THR 83 0.815 -2.309 4.115 545 HA THR 83 HA THR 83 0.605 -0.201 6.159 546 HB THR 83 HB THR 83 2.532 -2.525 6.305 547 HG1 THR 83 1HG THR 83 0.071 -2.772 6.738 548 HG21 THR 83 1HG2 THR 83 2.923 -0.135 7.388 549 HG22 THR 83 2HG2 THR 83 3.347 -1.618 8.242 550 HG23 THR 83 3HG2 THR 83 1.839 -0.786 8.616 551 H MET 84 H MET 84 1.558 1.549 5.354 552 HA MET 84 HA MET 84 4.059 1.202 3.833 553 HB2 MET 84 1HB MET 84 2.067 2.084 2.545 554 HB3 MET 84 2HB MET 84 2.140 3.516 3.563 555 HG2 MET 84 1HG MET 84 4.334 4.051 2.745 556 HG3 MET 84 2HG MET 84 4.400 2.545 1.832 557 HE1 MET 84 1HE MET 84 1.674 2.448 -0.219 558 HE2 MET 84 2HE MET 84 2.902 3.054 -1.330 559 HE3 MET 84 3HE MET 84 3.354 1.946 -0.033 560 H LYS 85 H LYS 85 5.829 2.199 4.575 561 HA LYS 85 HA LYS 85 5.513 4.342 6.563 562 HB2 LYS 85 1HB LYS 85 7.110 1.814 6.798 563 HB3 LYS 85 2HB LYS 85 7.641 3.269 7.631 564 HG2 LYS 85 1HG LYS 85 5.210 3.319 8.543 565 HG3 LYS 85 2HG LYS 85 5.200 1.614 8.083 566 HD2 LYS 85 1HD LYS 85 7.498 1.613 9.386 567 HD3 LYS 85 2HD LYS 85 6.779 3.013 10.185 568 HE2 LYS 85 1HE LYS 85 4.973 1.747 11.004 569 HE3 LYS 85 2HE LYS 85 5.310 0.406 9.910 570 HZ1 LYS 85 1HZ LYS 85 7.063 -0.313 11.187 571 HZ2 LYS 85 2HZ LYS 85 5.998 0.239 12.379 572 HZ3 LYS 85 3HZ LYS 85 7.315 1.194 11.915 573 H TYR 86 H TYR 86 6.521 6.109 5.897 574 HA TYR 86 HA TYR 86 8.676 5.870 3.929 575 HB2 TYR 86 1HB TYR 86 6.605 7.403 3.660 576 HB3 TYR 86 2HB TYR 86 7.423 8.459 4.806 577 HD1 TYR 86 2HD TYR 86 7.708 6.882 1.471 578 HD2 TYR 86 1HD TYR 86 9.217 9.847 4.123 579 HE1 TYR 86 2HE TYR 86 9.017 7.855 -0.371 580 HE2 TYR 86 1HE TYR 86 10.529 10.828 2.289 581 HH TYR 86 HH TYR 86 9.995 10.199 -0.895 582 H GLY 87 H GLY 87 10.737 6.210 4.446 583 HA2 GLY 87 1HA GLY 87 12.601 6.660 5.711 584 HA3 GLY 87 2HA GLY 87 11.757 8.137 6.150 585 H GLY 88 H GLY 88 10.086 5.306 7.012 586 HA2 GLY 88 1HA GLY 88 10.254 4.014 9.011 587 HA3 GLY 88 2HA GLY 88 11.289 5.259 9.692 588 H GLU 89 H GLU 89 8.520 6.399 8.045 589 HA GLU 89 HA GLU 89 7.036 6.642 10.572 590 HB2 GLU 89 1HB GLU 89 7.404 8.857 8.547 591 HB3 GLU 89 2HB GLU 89 6.461 8.953 10.028 592 HG2 GLU 89 1HG GLU 89 9.321 8.212 10.261 593 HG3 GLU 89 2HG GLU 89 8.929 9.883 9.862 594 H LEU 90 H LEU 90 4.893 6.279 10.436 595 HA LEU 90 HA LEU 90 3.808 5.071 8.138 596 HB2 LEU 90 1HB LEU 90 2.786 5.950 10.774 597 HB3 LEU 90 2HB LEU 90 1.595 5.695 9.501 598 HG LEU 90 HG LEU 90 3.544 3.638 10.540 599 HD11 LEU 90 1HD1 LEU 90 1.728 4.217 12.107 600 HD12 LEU 90 2HD1 LEU 90 1.612 2.564 11.505 601 HD13 LEU 90 3HD1 LEU 90 0.551 3.815 10.857 602 HD21 LEU 90 1HD2 LEU 90 2.256 3.789 8.053 603 HD22 LEU 90 2HD2 LEU 90 1.351 2.609 9.001 604 HD23 LEU 90 3HD2 LEU 90 3.086 2.401 8.755 605 H VAL 91 H VAL 91 2.340 5.788 6.613 606 HA VAL 91 HA VAL 91 2.306 8.683 6.208 607 HB VAL 91 HB VAL 91 1.139 7.801 3.982 608 HG11 VAL 91 1HG1 VAL 91 3.255 9.085 4.208 609 HG12 VAL 91 2HG1 VAL 91 4.111 7.557 4.429 610 HG13 VAL 91 3HG1 VAL 91 3.284 7.895 2.907 611 HG21 VAL 91 1HG2 VAL 91 2.977 5.507 4.576 612 HG22 VAL 91 2HG2 VAL 91 1.262 5.434 4.980 613 HG23 VAL 91 3HG2 VAL 91 1.764 5.656 3.304 614 HA PRO 92 HA PRO 92 -1.938 9.273 7.149 615 HB2 PRO 92 1HB PRO 92 -2.731 11.005 5.215 616 HB3 PRO 92 2HB PRO 92 -1.669 11.474 6.547 617 HG2 PRO 92 1HG PRO 92 -0.967 10.753 3.728 618 HG3 PRO 92 2HG PRO 92 -0.335 12.067 4.737 619 HD2 PRO 92 1HD PRO 92 1.015 9.752 4.348 620 HD3 PRO 92 2HD PRO 92 1.118 10.676 5.861 621 H HIS 93 H HIS 93 -1.011 7.451 4.588 622 HA HIS 93 HA HIS 93 -3.790 6.917 3.765 623 HB2 HIS 93 1HB HIS 93 -1.317 6.366 2.120 624 HB3 HIS 93 2HB HIS 93 -2.994 6.251 1.596 625 HD1 HIS 93 1HD HIS 93 -3.952 8.277 0.516 626 HD2 HIS 93 2HD HIS 93 -0.508 9.133 2.676 627 HE1 HIS 93 1HE HIS 93 -3.431 10.688 0.023 628 HE2 HIS 93 2HE HIS 93 -1.296 11.158 1.274 629 H PHE 94 H PHE 94 -1.760 5.799 5.861 630 HA PHE 94 HA PHE 94 -2.629 3.054 5.554 631 HB2 PHE 94 1HB PHE 94 0.312 3.755 5.661 632 HB3 PHE 94 2HB PHE 94 -0.345 2.129 5.811 633 HD1 PHE 94 2HD PHE 94 -0.120 5.025 3.507 634 HD2 PHE 94 1HD PHE 94 -0.773 0.839 3.919 635 HE1 PHE 94 2HE PHE 94 -0.045 4.775 1.060 636 HE2 PHE 94 1HE PHE 94 -0.698 0.583 1.473 637 HZ PHE 94 HZ PHE 94 -0.335 2.553 0.040 638 HA PRO 95 HA PRO 95 -1.836 1.082 6.585 639 HB2 PRO 95 1HB PRO 95 -3.513 -0.355 8.164 640 HB3 PRO 95 2HB PRO 95 -1.778 -0.223 8.475 641 HG2 PRO 95 1HG PRO 95 -4.047 1.269 9.735 642 HG3 PRO 95 2HG PRO 95 -2.613 0.559 10.500 643 HD2 PRO 95 1HD PRO 95 -2.814 3.203 9.953 644 HD3 PRO 95 2HD PRO 95 -1.266 2.335 9.913 645 H ALA 96 H ALA 96 -3.431 0.143 5.256 646 HA ALA 96 HA ALA 96 -6.068 1.451 5.304 647 HB1 ALA 96 1HB ALA 96 -5.722 2.395 3.329 648 HB2 ALA 96 2HB ALA 96 -4.071 1.773 3.329 649 HB3 ALA 96 3HB ALA 96 -5.373 0.820 2.616 650 H ARG 97 H ARG 97 -7.814 0.198 4.685 651 HA ARG 97 HA ARG 97 -7.250 -2.680 4.430 652 HB2 ARG 97 1HB ARG 97 -9.764 -1.330 5.430 653 HB3 ARG 97 2HB ARG 97 -9.471 -3.063 5.378 654 HG2 ARG 97 1HG ARG 97 -7.733 -1.191 6.954 655 HG3 ARG 97 2HG ARG 97 -9.199 -1.915 7.619 656 HD2 ARG 97 1HD ARG 97 -8.158 -4.149 6.818 657 HD3 ARG 97 2HD ARG 97 -6.651 -3.236 6.768 658 HE ARG 97 HE ARG 97 -7.951 -4.232 9.081 659 HH11 ARG 97 1HH1 ARG 97 -6.109 -1.521 7.908 660 HH12 ARG 97 2HH1 ARG 97 -5.466 -1.116 9.466 661 HH21 ARG 97 1HH2 ARG 97 -7.112 -3.709 11.137 662 HH22 ARG 97 2HH2 ARG 97 -6.037 -2.363 11.302 663 H VAL 98 H VAL 98 -7.874 -3.734 2.651 664 HA VAL 98 HA VAL 98 -9.875 -2.497 0.891 665 HB VAL 98 HB VAL 98 -7.233 -3.632 -0.039 666 HG11 VAL 98 1HG1 VAL 98 -8.125 -3.895 -2.055 667 HG12 VAL 98 2HG1 VAL 98 -9.707 -3.512 -1.372 668 HG13 VAL 98 3HG1 VAL 98 -8.706 -2.230 -2.054 669 HG21 VAL 98 1HG2 VAL 98 -7.413 -1.093 -1.018 670 HG22 VAL 98 2HG2 VAL 98 -8.164 -0.922 0.568 671 HG23 VAL 98 3HG2 VAL 98 -6.524 -1.555 0.433 672 H LYS 99 H LYS 99 -11.447 -3.880 0.446 673 HA LYS 99 HA LYS 99 -11.249 -6.648 1.142 674 HB2 LYS 99 1HB LYS 99 -13.350 -5.450 1.424 675 HB3 LYS 99 2HB LYS 99 -13.417 -5.111 -0.300 676 HG2 LYS 99 1HG LYS 99 -13.823 -7.375 -0.829 677 HG3 LYS 99 2HG LYS 99 -13.404 -7.906 0.801 678 HD2 LYS 99 1HD LYS 99 -15.370 -6.455 1.574 679 HD3 LYS 99 2HD LYS 99 -15.852 -6.428 -0.124 680 HE2 LYS 99 1HE LYS 99 -17.030 -8.253 0.573 681 HE3 LYS 99 2HE LYS 99 -15.520 -9.041 0.116 682 HZ1 LYS 99 1HZ LYS 99 -16.284 -9.798 2.272 683 HZ2 LYS 99 2HZ LYS 99 -16.279 -8.215 2.866 684 HZ3 LYS 99 3HZ LYS 99 -14.824 -8.959 2.432 685 H VAL 100 H VAL 100 -10.406 -8.196 -0.074 686 HA VAL 100 HA VAL 100 -10.190 -7.771 -2.972 687 HB VAL 100 HB VAL 100 -8.701 -9.635 -1.123 688 HG11 VAL 100 1HG1 VAL 100 -8.299 -10.967 -2.853 689 HG12 VAL 100 2HG1 VAL 100 -9.234 -9.918 -3.921 690 HG13 VAL 100 3HG1 VAL 100 -7.513 -9.619 -3.674 691 HG21 VAL 100 1HG2 VAL 100 -8.113 -7.165 -1.238 692 HG22 VAL 100 2HG2 VAL 100 -6.803 -8.304 -1.549 693 HG23 VAL 100 3HG2 VAL 100 -7.588 -7.475 -2.893 694 H GLU 101 H GLU 101 -11.236 -9.030 -4.395 695 HA GLU 101 HA GLU 101 -13.069 -11.035 -3.343 696 HB2 GLU 101 1HB GLU 101 -12.854 -9.469 -5.868 697 HB3 GLU 101 2HB GLU 101 -13.674 -11.023 -5.934 698 HG2 GLU 101 1HG GLU 101 -14.420 -9.003 -3.864 699 HG3 GLU 101 2HG GLU 101 -15.048 -8.885 -5.507 700 HA PRO 102 HA PRO 102 -10.842 -14.578 -4.657 701 HB2 PRO 102 1HB PRO 102 -12.837 -16.211 -5.508 702 HB3 PRO 102 2HB PRO 102 -12.559 -15.843 -3.801 703 HG2 PRO 102 1HG PRO 102 -14.552 -14.657 -5.694 704 HG3 PRO 102 2HG PRO 102 -14.772 -15.159 -4.008 705 HD2 PRO 102 1HD PRO 102 -14.415 -12.572 -4.723 706 HD3 PRO 102 2HD PRO 102 -13.834 -13.224 -3.178 707 H ALA 103 H ALA 103 -10.061 -15.710 -6.463 708 HA ALA 103 HA ALA 103 -10.942 -14.651 -9.070 709 HB1 ALA 103 1HB ALA 103 -8.143 -15.486 -8.325 710 HB2 ALA 103 2HB ALA 103 -8.666 -14.785 -9.857 711 HB3 ALA 103 3HB ALA 103 -8.719 -13.820 -8.381 712 H VAL 104 H VAL 104 -12.059 -16.956 -7.873 713 HA VAL 104 HA VAL 104 -10.859 -19.174 -9.377 714 HB VAL 104 HB VAL 104 -12.970 -19.244 -7.217 715 HG11 VAL 104 1HG1 VAL 104 -12.210 -21.176 -9.178 716 HG12 VAL 104 2HG1 VAL 104 -11.736 -21.755 -7.579 717 HG13 VAL 104 3HG1 VAL 104 -13.414 -21.310 -7.896 718 HG21 VAL 104 1HG2 VAL 104 -10.076 -20.086 -7.100 719 HG22 VAL 104 2HG2 VAL 104 -10.716 -18.584 -6.433 720 HG23 VAL 104 3HG2 VAL 104 -11.246 -20.134 -5.781 721 H ASP 105 H ASP 105 -11.953 -20.254 -10.953 722 HA ASP 105 HA ASP 105 -14.637 -19.250 -11.642 723 HB2 ASP 105 1HB ASP 105 -12.815 -18.455 -13.185 724 HB3 ASP 105 2HB ASP 105 -12.538 -20.138 -13.627 725 H THR 106 H THR 106 -16.007 -20.832 -11.130 726 HA THR 106 HA THR 106 -15.366 -23.564 -10.974 727 HB THR 106 HB THR 106 -17.809 -23.955 -10.861 728 HG1 THR 106 1HG THR 106 -19.222 -22.329 -11.258 729 HG21 THR 106 1HG2 THR 106 -16.223 -22.677 -9.032 730 HG22 THR 106 2HG2 THR 106 -17.856 -23.267 -8.722 731 HG23 THR 106 3HG2 THR 106 -17.596 -21.579 -9.162 732 H SER 107 H SER 107 -15.060 -25.014 -12.522 733 HA SER 107 HA SER 107 -16.436 -24.650 -15.098 734 HB2 SER 107 1HB SER 107 -14.108 -23.974 -15.393 735 HB3 SER 107 2HB SER 107 -13.556 -25.498 -14.697 736 HG SER 107 HG SER 107 -14.957 -26.397 -16.525 737 H SER 108 H SER 108 -17.868 -26.254 -15.183 738 HA SER 108 HA SER 108 -18.086 -28.543 -13.800 739 HB2 SER 108 1HB SER 108 -19.644 -27.686 -15.614 740 HB3 SER 108 2HB SER 108 -18.603 -28.508 -16.777 741 HG SER 108 HG SER 108 -20.073 -29.675 -14.651 742 H GLY 109 H GLY 109 -16.638 -30.055 -13.325 743 HA2 GLY 109 1HA GLY 109 -14.874 -31.016 -15.494 744 HA3 GLY 109 2HA GLY 109 -14.346 -30.870 -13.824 745 HA PRO 110 HA PRO 110 -15.607 -35.262 -14.492 746 HB2 PRO 110 1HB PRO 110 -13.506 -36.306 -13.127 747 HB3 PRO 110 2HB PRO 110 -13.423 -35.882 -14.841 748 HG2 PRO 110 1HG PRO 110 -12.467 -34.340 -12.460 749 HG3 PRO 110 2HG PRO 110 -11.665 -34.599 -14.021 750 HD2 PRO 110 1HD PRO 110 -12.976 -32.308 -13.419 751 HD3 PRO 110 2HD PRO 110 -12.899 -32.958 -15.069 752 H SER 111 H SER 111 -17.086 -36.065 -13.152 753 HA SER 111 HA SER 111 -17.269 -35.142 -10.428 754 HB2 SER 111 1HB SER 111 -19.284 -35.467 -11.841 755 HB3 SER 111 2HB SER 111 -18.956 -37.199 -11.875 756 HG SER 111 HG SER 111 -20.146 -37.196 -10.137 757 H SER 112 H SER 112 -16.926 -38.330 -11.983 758 HA SER 112 HA SER 112 -16.208 -39.527 -9.431 759 HB2 SER 112 1HB SER 112 -16.935 -40.559 -12.135 760 HB3 SER 112 2HB SER 112 -15.948 -41.586 -11.096 761 HG SER 112 HG SER 112 -17.558 -41.620 -9.595 762 H GLY 113 H GLY 113 -14.221 -40.407 -8.933 763 HA2 GLY 113 1HA GLY 113 -12.050 -41.159 -10.091 764 HA3 GLY 113 2HA GLY 113 -12.010 -39.494 -10.651 Start of MODEL 11 1 H1 GLY 1 H GLY 1 24.104 8.950 1.773 2 HA2 GLY 1 1HA GLY 1 24.072 10.054 -0.923 3 HA3 GLY 1 2HA GLY 1 23.140 10.630 0.450 4 H SER 2 H SER 2 25.088 11.859 -1.596 5 HA SER 2 HA SER 2 26.927 13.127 0.316 6 HB2 SER 2 1HB SER 2 27.652 11.985 -1.957 7 HB3 SER 2 2HB SER 2 27.166 13.538 -2.636 8 HG SER 2 HG SER 2 28.735 14.539 -1.518 9 H SER 3 H SER 3 24.817 13.925 -2.439 10 HA SER 3 HA SER 3 24.929 16.723 -2.063 11 HB2 SER 3 1HB SER 3 23.141 16.853 -3.664 12 HB3 SER 3 2HB SER 3 24.209 15.545 -4.170 13 HG SER 3 HG SER 3 21.942 15.014 -4.226 14 H GLY 4 H GLY 4 24.152 17.845 -0.411 15 HA2 GLY 4 1HA GLY 4 22.381 16.757 1.518 16 HA3 GLY 4 2HA GLY 4 22.888 18.437 1.414 17 H SER 5 H SER 5 20.231 16.814 1.717 18 HA SER 5 HA SER 5 18.627 17.630 -0.491 19 HB2 SER 5 1HB SER 5 18.220 15.756 1.300 20 HB3 SER 5 2HB SER 5 17.464 17.061 2.214 21 HG SER 5 HG SER 5 15.842 16.250 1.015 22 H SER 6 H SER 6 16.963 19.216 -0.510 23 HA SER 6 HA SER 6 17.666 21.586 1.053 24 HB2 SER 6 1HB SER 6 15.773 21.373 -1.299 25 HB3 SER 6 2HB SER 6 16.421 22.853 -0.591 26 HG SER 6 HG SER 6 17.749 22.493 -2.258 27 H GLY 7 H GLY 7 14.659 19.999 -0.046 28 HA2 GLY 7 1HA GLY 7 13.075 21.318 1.941 29 HA3 GLY 7 2HA GLY 7 12.545 20.023 0.877 30 HA PRO 8 HA PRO 8 13.672 18.610 5.358 31 HB2 PRO 8 1HB PRO 8 11.397 19.175 6.728 32 HB3 PRO 8 2HB PRO 8 12.769 20.286 6.646 33 HG2 PRO 8 1HG PRO 8 10.222 20.302 5.073 34 HG3 PRO 8 2HG PRO 8 11.086 21.660 5.818 35 HD2 PRO 8 1HD PRO 8 11.257 21.100 3.175 36 HD3 PRO 8 2HD PRO 8 12.603 21.807 4.090 37 H PHE 9 H PHE 9 12.898 16.667 6.253 38 HA PHE 9 HA PHE 9 11.358 15.060 4.455 39 HB2 PHE 9 1HB PHE 9 12.969 13.771 5.469 40 HB3 PHE 9 2HB PHE 9 12.825 14.611 7.010 41 HD1 PHE 9 1HD PHE 9 11.412 11.988 4.871 42 HD2 PHE 9 2HD PHE 9 11.253 13.903 8.669 43 HE1 PHE 9 1HE PHE 9 10.021 10.152 5.735 44 HE2 PHE 9 2HE PHE 9 9.863 12.069 9.539 45 HZ PHE 9 HZ PHE 9 9.246 10.190 8.072 46 H ASP 10 H ASP 10 9.339 14.145 4.762 47 HA ASP 10 HA ASP 10 7.789 14.457 7.110 48 HB2 ASP 10 1HB ASP 10 7.488 16.506 4.952 49 HB3 ASP 10 2HB ASP 10 6.052 15.967 5.818 50 HA PRO 11 HA PRO 11 6.117 11.067 4.712 51 HB2 PRO 11 1HB PRO 11 4.640 10.036 6.744 52 HB3 PRO 11 2HB PRO 11 6.384 9.786 6.600 53 HG2 PRO 11 1HG PRO 11 4.885 11.742 8.299 54 HG3 PRO 11 2HG PRO 11 6.284 10.737 8.720 55 HD2 PRO 11 1HD PRO 11 6.512 13.360 8.086 56 HD3 PRO 11 2HD PRO 11 7.778 12.173 7.710 57 H SER 12 H SER 12 4.306 13.398 6.621 58 HA SER 12 HA SER 12 1.719 12.714 5.749 59 HB2 SER 12 1HB SER 12 2.930 15.232 6.866 60 HB3 SER 12 2HB SER 12 1.247 15.194 6.339 61 HG SER 12 HG SER 12 0.967 14.496 8.317 62 H LYS 13 H LYS 13 4.226 14.730 4.355 63 HA LYS 13 HA LYS 13 2.636 15.992 2.386 64 HB2 LYS 13 1HB LYS 13 5.600 15.390 2.375 65 HB3 LYS 13 2HB LYS 13 4.785 16.498 1.279 66 HG2 LYS 13 1HG LYS 13 4.863 16.811 4.272 67 HG3 LYS 13 2HG LYS 13 5.954 17.621 3.145 68 HD2 LYS 13 1HD LYS 13 2.956 17.863 2.993 69 HD3 LYS 13 2HD LYS 13 3.966 18.973 3.923 70 HE2 LYS 13 1HE LYS 13 5.126 19.672 1.949 71 HE3 LYS 13 2HE LYS 13 4.345 18.421 0.984 72 HZ1 LYS 13 1HZ LYS 13 3.154 20.879 2.112 73 HZ2 LYS 13 2HZ LYS 13 2.190 19.576 1.628 74 HZ3 LYS 13 3HZ LYS 13 3.178 20.362 0.501 75 H VAL 14 H VAL 14 3.870 12.812 2.670 76 HA VAL 14 HA VAL 14 4.078 12.138 -0.072 77 HB VAL 14 HB VAL 14 3.487 10.314 2.263 78 HG11 VAL 14 1HG1 VAL 14 4.033 9.859 -0.607 79 HG12 VAL 14 2HG1 VAL 14 4.847 8.788 0.535 80 HG13 VAL 14 3HG1 VAL 14 3.087 8.904 0.535 81 HG21 VAL 14 1HG2 VAL 14 5.769 10.069 2.610 82 HG22 VAL 14 2HG2 VAL 14 6.183 10.714 1.022 83 HG23 VAL 14 3HG2 VAL 14 5.607 11.796 2.290 84 H VAL 15 H VAL 15 2.619 11.301 -1.496 85 HA VAL 15 HA VAL 15 -0.181 11.135 -0.586 86 HB VAL 15 HB VAL 15 0.809 12.099 -3.273 87 HG11 VAL 15 1HG1 VAL 15 -1.889 11.406 -2.222 88 HG12 VAL 15 2HG1 VAL 15 -1.737 12.757 -3.348 89 HG13 VAL 15 3HG1 VAL 15 -1.200 11.145 -3.824 90 HG21 VAL 15 1HG2 VAL 15 -0.305 13.523 -0.875 91 HG22 VAL 15 2HG2 VAL 15 1.190 13.847 -1.752 92 HG23 VAL 15 3HG2 VAL 15 -0.366 14.227 -2.490 93 H ALA 16 H ALA 16 -1.172 9.257 -0.936 94 HA ALA 16 HA ALA 16 -0.061 7.439 -2.971 95 HB1 ALA 16 1HB ALA 16 0.286 5.825 -1.482 96 HB2 ALA 16 2HB ALA 16 0.011 7.030 -0.223 97 HB3 ALA 16 3HB ALA 16 -1.324 6.026 -0.789 98 H SER 17 H SER 17 -1.492 6.557 -4.344 99 HA SER 17 HA SER 17 -4.295 6.332 -3.659 100 HB2 SER 17 1HB SER 17 -3.361 8.164 -5.880 101 HB3 SER 17 2HB SER 17 -5.028 7.629 -5.671 102 HG SER 17 HG SER 17 -3.530 9.435 -4.169 103 H GLY 18 H GLY 18 -5.495 5.638 -5.856 104 HA2 GLY 18 1HA GLY 18 -4.842 4.445 -8.006 105 HA3 GLY 18 2HA GLY 18 -3.830 3.465 -6.956 106 HA PRO 19 HA PRO 19 -8.215 1.715 -7.411 107 HB2 PRO 19 1HB PRO 19 -7.585 -0.450 -8.923 108 HB3 PRO 19 2HB PRO 19 -8.041 1.109 -9.621 109 HG2 PRO 19 1HG PRO 19 -5.315 -0.062 -9.221 110 HG3 PRO 19 2HG PRO 19 -5.964 0.809 -10.622 111 HD2 PRO 19 1HD PRO 19 -4.364 1.991 -8.785 112 HD3 PRO 19 2HD PRO 19 -5.640 2.873 -9.648 113 H GLY 20 H GLY 20 -5.034 0.324 -6.837 114 HA2 GLY 20 1HA GLY 20 -5.800 -2.082 -5.626 115 HA3 GLY 20 2HA GLY 20 -4.297 -1.226 -5.314 116 H LEU 21 H LEU 21 -5.540 1.166 -4.294 117 HA LEU 21 HA LEU 21 -5.907 0.312 -1.580 118 HB2 LEU 21 1HB LEU 21 -5.706 2.911 -3.005 119 HB3 LEU 21 2HB LEU 21 -6.465 2.899 -1.415 120 HG LEU 21 HG LEU 21 -3.777 1.646 -1.753 121 HD11 LEU 21 1HD1 LEU 21 -3.019 3.580 -2.622 122 HD12 LEU 21 2HD1 LEU 21 -3.107 4.126 -0.948 123 HD13 LEU 21 3HD1 LEU 21 -4.415 4.504 -2.068 124 HD21 LEU 21 1HD2 LEU 21 -3.596 1.939 0.514 125 HD22 LEU 21 2HD2 LEU 21 -5.339 1.718 0.356 126 HD23 LEU 21 3HD2 LEU 21 -4.667 3.340 0.531 127 H GLU 22 H GLU 22 -7.967 0.663 -4.207 128 HA GLU 22 HA GLU 22 -10.303 1.283 -2.555 129 HB2 GLU 22 1HB GLU 22 -10.166 0.913 -5.550 130 HB3 GLU 22 2HB GLU 22 -11.510 1.573 -4.629 131 HG2 GLU 22 1HG GLU 22 -9.703 3.320 -3.865 132 HG3 GLU 22 2HG GLU 22 -8.917 2.822 -5.362 133 H HIS 23 H HIS 23 -8.847 -1.290 -4.425 134 HA HIS 23 HA HIS 23 -10.281 -3.306 -3.063 135 HB2 HIS 23 1HB HIS 23 -11.702 -4.160 -4.806 136 HB3 HIS 23 2HB HIS 23 -12.091 -2.458 -4.571 137 HD1 HIS 23 1HD HIS 23 -12.106 -4.557 -7.220 138 HD2 HIS 23 2HD HIS 23 -9.968 -1.058 -6.552 139 HE1 HIS 23 1HE HIS 23 -11.478 -3.706 -9.502 140 HE2 HIS 23 2HE HIS 23 -10.112 -1.635 -9.069 141 H GLY 24 H GLY 24 -9.897 -5.509 -4.118 142 HA2 GLY 24 1HA GLY 24 -7.587 -5.581 -5.896 143 HA3 GLY 24 2HA GLY 24 -7.343 -6.221 -4.278 144 H LYS 25 H LYS 25 -7.015 -7.765 -6.577 145 HA LYS 25 HA LYS 25 -9.146 -9.742 -6.174 146 HB2 LYS 25 1HB LYS 25 -9.268 -8.314 -8.377 147 HB3 LYS 25 2HB LYS 25 -7.978 -9.386 -8.907 148 HG2 LYS 25 1HG LYS 25 -9.520 -11.303 -8.264 149 HG3 LYS 25 2HG LYS 25 -10.797 -10.089 -8.159 150 HD2 LYS 25 1HD LYS 25 -10.758 -9.661 -10.428 151 HD3 LYS 25 2HD LYS 25 -9.096 -10.227 -10.611 152 HE2 LYS 25 1HE LYS 25 -10.312 -11.931 -11.597 153 HE3 LYS 25 2HE LYS 25 -10.075 -12.536 -9.958 154 HZ1 LYS 25 1HZ LYS 25 -12.359 -12.827 -10.714 155 HZ2 LYS 25 2HZ LYS 25 -12.516 -11.158 -10.941 156 HZ3 LYS 25 3HZ LYS 25 -12.288 -11.782 -9.385 157 H VAL 26 H VAL 26 -8.477 -11.841 -6.103 158 HA VAL 26 HA VAL 26 -5.853 -12.446 -5.435 159 HB VAL 26 HB VAL 26 -8.018 -14.257 -6.501 160 HG11 VAL 26 1HG1 VAL 26 -5.219 -14.812 -5.713 161 HG12 VAL 26 2HG1 VAL 26 -6.452 -15.940 -5.148 162 HG13 VAL 26 3HG1 VAL 26 -6.256 -15.639 -6.875 163 HG21 VAL 26 1HG2 VAL 26 -7.251 -14.592 -3.738 164 HG22 VAL 26 2HG2 VAL 26 -7.751 -12.933 -4.064 165 HG23 VAL 26 3HG2 VAL 26 -8.840 -14.271 -4.431 166 H GLY 27 H GLY 27 -4.066 -12.468 -6.621 167 HA2 GLY 27 1HA GLY 27 -2.717 -13.302 -8.376 168 HA3 GLY 27 2HA GLY 27 -4.166 -13.558 -9.336 169 H GLU 28 H GLU 28 -5.166 -10.838 -8.706 170 HA GLU 28 HA GLU 28 -4.051 -9.500 -10.936 171 HB2 GLU 28 1HB GLU 28 -6.026 -8.802 -8.809 172 HB3 GLU 28 2HB GLU 28 -5.356 -7.503 -9.786 173 HG2 GLU 28 1HG GLU 28 -6.717 -9.940 -10.907 174 HG3 GLU 28 2HG GLU 28 -7.512 -8.394 -10.618 175 H ALA 29 H ALA 29 -3.482 -7.014 -10.536 176 HA ALA 29 HA ALA 29 -1.365 -6.947 -8.485 177 HB1 ALA 29 1HB ALA 29 -1.017 -5.288 -10.905 178 HB2 ALA 29 2HB ALA 29 0.173 -6.177 -9.954 179 HB3 ALA 29 3HB ALA 29 -0.846 -7.032 -11.111 180 H GLY 30 H GLY 30 -1.867 -5.532 -6.948 181 HA2 GLY 30 1HA GLY 30 -3.826 -3.493 -7.285 182 HA3 GLY 30 2HA GLY 30 -2.786 -3.710 -5.885 183 H LEU 31 H LEU 31 -3.293 -2.000 -8.832 184 HA LEU 31 HA LEU 31 -0.743 -0.823 -9.117 185 HB2 LEU 31 1HB LEU 31 -3.420 0.293 -9.938 186 HB3 LEU 31 2HB LEU 31 -1.846 0.798 -10.550 187 HG LEU 31 HG LEU 31 -2.935 -1.984 -10.927 188 HD11 LEU 31 1HD1 LEU 31 -4.466 -1.016 -12.250 189 HD12 LEU 31 2HD1 LEU 31 -3.117 -0.816 -13.367 190 HD13 LEU 31 3HD1 LEU 31 -3.595 0.516 -12.315 191 HD21 LEU 31 1HD2 LEU 31 -0.962 -2.402 -11.848 192 HD22 LEU 31 2HD2 LEU 31 -0.419 -0.790 -11.383 193 HD23 LEU 31 3HD2 LEU 31 -1.165 -1.048 -12.961 194 H LEU 32 H LEU 32 0.244 0.571 -7.828 195 HA LEU 32 HA LEU 32 -1.378 2.509 -6.324 196 HB2 LEU 32 1HB LEU 32 1.018 1.019 -5.262 197 HB3 LEU 32 2HB LEU 32 0.106 2.261 -4.405 198 HG LEU 32 HG LEU 32 -0.910 -0.468 -5.199 199 HD11 LEU 32 1HD1 LEU 32 0.344 -0.971 -3.376 200 HD12 LEU 32 2HD1 LEU 32 -1.111 -0.418 -2.548 201 HD13 LEU 32 3HD1 LEU 32 0.267 0.667 -2.728 202 HD21 LEU 32 1HD2 LEU 32 -2.935 0.092 -4.059 203 HD22 LEU 32 2HD2 LEU 32 -2.620 1.350 -5.255 204 HD23 LEU 32 3HD2 LEU 32 -2.281 1.650 -3.550 205 H SER 33 H SER 33 -0.659 4.560 -6.369 206 HA SER 33 HA SER 33 1.992 5.045 -7.565 207 HB2 SER 33 1HB SER 33 -0.080 5.629 -8.971 208 HB3 SER 33 2HB SER 33 -0.339 6.940 -7.821 209 HG SER 33 HG SER 33 1.852 6.534 -9.562 210 H VAL 34 H VAL 34 3.358 6.304 -6.461 211 HA VAL 34 HA VAL 34 2.306 7.746 -4.115 212 HB VAL 34 HB VAL 34 5.037 6.505 -4.471 213 HG11 VAL 34 1HG1 VAL 34 3.982 7.682 -1.927 214 HG12 VAL 34 2HG1 VAL 34 5.650 7.332 -2.386 215 HG13 VAL 34 3HG1 VAL 34 4.798 8.691 -3.121 216 HG21 VAL 34 1HG2 VAL 34 3.149 5.710 -2.319 217 HG22 VAL 34 2HG2 VAL 34 2.846 5.115 -3.952 218 HG23 VAL 34 3HG2 VAL 34 4.377 4.759 -3.154 219 H ASP 35 H ASP 35 2.336 9.871 -4.377 220 HA ASP 35 HA ASP 35 4.357 11.062 -6.146 221 HB2 ASP 35 1HB ASP 35 2.082 11.584 -6.791 222 HB3 ASP 35 2HB ASP 35 1.707 12.135 -5.160 223 H CYS 36 H CYS 36 6.110 11.657 -5.040 224 HA CYS 36 HA CYS 36 5.778 12.837 -2.373 225 HB2 CYS 36 1HB CYS 36 8.083 12.313 -1.971 226 HB3 CYS 36 2HB CYS 36 7.329 10.884 -2.667 227 HG CYS 36 HG CYS 36 8.405 11.256 -5.209 228 H SER 37 H SER 37 5.845 14.967 -2.196 229 HA SER 37 HA SER 37 7.184 16.519 -4.306 230 HB2 SER 37 1HB SER 37 4.778 16.998 -2.617 231 HB3 SER 37 2HB SER 37 5.749 18.401 -3.064 232 HG SER 37 HG SER 37 5.225 18.135 -5.123 233 H GLU 38 H GLU 38 6.415 17.004 -0.855 234 HA GLU 38 HA GLU 38 9.140 18.071 -0.506 235 HB2 GLU 38 1HB GLU 38 6.526 18.828 0.772 236 HB3 GLU 38 2HB GLU 38 8.059 19.216 1.540 237 HG2 GLU 38 1HG GLU 38 7.477 20.015 -1.287 238 HG3 GLU 38 2HG GLU 38 6.958 20.997 0.081 239 H ALA 39 H ALA 39 7.956 15.274 -0.228 240 HA ALA 39 HA ALA 39 7.908 14.551 2.489 241 HB1 ALA 39 1HB ALA 39 8.766 12.282 1.242 242 HB2 ALA 39 2HB ALA 39 7.083 12.794 1.373 243 HB3 ALA 39 3HB ALA 39 8.006 13.163 -0.084 244 H GLY 40 H GLY 40 10.488 15.514 0.508 245 HA2 GLY 40 1HA GLY 40 12.745 15.674 0.894 246 HA3 GLY 40 2HA GLY 40 12.391 15.327 2.580 247 HA PRO 41 HA PRO 41 14.935 11.815 1.081 248 HB2 PRO 41 1HB PRO 41 16.257 11.497 3.431 249 HB3 PRO 41 2HB PRO 41 16.757 12.659 2.197 250 HG2 PRO 41 1HG PRO 41 15.178 13.115 4.699 251 HG3 PRO 41 2HG PRO 41 16.495 14.085 4.015 252 HD2 PRO 41 1HD PRO 41 13.888 14.761 3.731 253 HD3 PRO 41 2HD PRO 41 15.109 15.123 2.494 254 H GLY 42 H GLY 42 15.405 9.692 2.459 255 HA2 GLY 42 1HA GLY 42 14.457 8.273 4.229 256 HA3 GLY 42 2HA GLY 42 12.894 8.977 3.843 257 H ALA 43 H ALA 43 13.214 6.250 3.926 258 HA ALA 43 HA ALA 43 13.155 5.493 1.077 259 HB1 ALA 43 1HB ALA 43 13.899 3.838 3.483 260 HB2 ALA 43 2HB ALA 43 13.681 3.188 1.858 261 HB3 ALA 43 3HB ALA 43 14.959 4.362 2.174 262 H LEU 44 H LEU 44 11.352 4.572 0.276 263 HA LEU 44 HA LEU 44 9.032 4.415 2.026 264 HB2 LEU 44 1HB LEU 44 8.558 5.563 0.052 265 HB3 LEU 44 2HB LEU 44 9.437 4.404 -0.941 266 HG LEU 44 HG LEU 44 7.579 2.748 -0.282 267 HD11 LEU 44 1HD1 LEU 44 6.637 5.221 0.947 268 HD12 LEU 44 2HD1 LEU 44 6.156 3.550 1.241 269 HD13 LEU 44 3HD1 LEU 44 5.445 4.450 -0.099 270 HD21 LEU 44 1HD2 LEU 44 6.168 4.599 -1.948 271 HD22 LEU 44 2HD2 LEU 44 6.965 3.088 -2.387 272 HD23 LEU 44 3HD2 LEU 44 7.878 4.597 -2.380 273 H GLY 45 H GLY 45 7.702 2.577 2.208 274 HA2 GLY 45 1HA GLY 45 8.481 0.078 1.003 275 HA3 GLY 45 2HA GLY 45 8.856 0.169 2.717 276 H LEU 46 H LEU 46 6.872 -1.413 1.028 277 HA LEU 46 HA LEU 46 4.530 -0.841 2.717 278 HB2 LEU 46 1HB LEU 46 4.081 -0.115 0.438 279 HB3 LEU 46 2HB LEU 46 4.530 -1.707 -0.171 280 HG LEU 46 HG LEU 46 2.568 -2.526 1.349 281 HD11 LEU 46 1HD1 LEU 46 0.997 -1.036 2.021 282 HD12 LEU 46 2HD1 LEU 46 1.341 0.092 0.710 283 HD13 LEU 46 3HD1 LEU 46 2.408 0.019 2.111 284 HD21 LEU 46 1HD2 LEU 46 1.062 -2.344 -0.522 285 HD22 LEU 46 2HD2 LEU 46 2.693 -2.648 -1.120 286 HD23 LEU 46 3HD2 LEU 46 2.011 -1.023 -1.206 287 H GLU 47 H GLU 47 3.398 -2.607 3.502 288 HA GLU 47 HA GLU 47 4.532 -5.258 2.919 289 HB2 GLU 47 1HB GLU 47 5.427 -4.458 5.062 290 HB3 GLU 47 2HB GLU 47 3.791 -4.201 5.653 291 HG2 GLU 47 1HG GLU 47 4.223 -6.222 6.589 292 HG3 GLU 47 2HG GLU 47 3.538 -6.752 5.054 293 H ALA 48 H ALA 48 2.977 -6.405 1.988 294 HA ALA 48 HA ALA 48 0.183 -5.914 2.691 295 HB1 ALA 48 1HB ALA 48 1.117 -6.091 0.283 296 HB2 ALA 48 2HB ALA 48 1.069 -7.830 0.571 297 HB3 ALA 48 3HB ALA 48 -0.413 -6.879 0.671 298 H VAL 49 H VAL 49 -0.846 -7.164 4.095 299 HA VAL 49 HA VAL 49 -0.122 -9.993 4.316 300 HB VAL 49 HB VAL 49 -0.336 -8.133 6.688 301 HG11 VAL 49 1HG1 VAL 49 0.538 -10.922 7.053 302 HG12 VAL 49 2HG1 VAL 49 -0.479 -9.904 8.076 303 HG13 VAL 49 3HG1 VAL 49 -1.167 -10.700 6.660 304 HG21 VAL 49 1HG2 VAL 49 1.823 -8.384 5.162 305 HG22 VAL 49 2HG2 VAL 49 1.929 -8.225 6.915 306 HG23 VAL 49 3HG2 VAL 49 2.051 -9.816 6.165 307 H SER 50 H SER 50 -1.895 -11.179 4.137 308 HA SER 50 HA SER 50 -4.503 -10.001 4.292 309 HB2 SER 50 1HB SER 50 -3.861 -11.817 2.677 310 HB3 SER 50 2HB SER 50 -3.807 -12.935 4.040 311 HG SER 50 HG SER 50 -6.069 -11.431 3.207 312 H ASP 51 H ASP 51 -6.252 -10.855 5.623 313 HA ASP 51 HA ASP 51 -5.837 -10.667 8.316 314 HB2 ASP 51 1HB ASP 51 -7.970 -12.077 6.734 315 HB3 ASP 51 2HB ASP 51 -7.994 -12.096 8.495 316 H SER 52 H SER 52 -5.690 -13.579 6.330 317 HA SER 52 HA SER 52 -5.165 -15.268 8.625 318 HB2 SER 52 1HB SER 52 -6.495 -16.077 6.675 319 HB3 SER 52 2HB SER 52 -5.043 -15.965 5.681 320 HG SER 52 HG SER 52 -5.806 -17.942 7.312 321 H GLY 53 H GLY 53 -3.302 -13.098 8.050 322 HA2 GLY 53 1HA GLY 53 -1.043 -12.706 7.868 323 HA3 GLY 53 2HA GLY 53 -0.889 -14.284 8.627 324 H THR 54 H THR 54 -1.853 -13.100 5.403 325 HA THR 54 HA THR 54 -0.058 -15.124 4.240 326 HB THR 54 HB THR 54 -2.341 -13.742 2.829 327 HG1 THR 54 1HG THR 54 -2.282 -16.244 4.195 328 HG21 THR 54 1HG2 THR 54 -1.657 -16.374 1.895 329 HG22 THR 54 2HG2 THR 54 -0.226 -15.344 1.909 330 HG23 THR 54 3HG2 THR 54 -1.662 -14.846 1.016 331 H LYS 55 H LYS 55 1.843 -14.207 3.774 332 HA LYS 55 HA LYS 55 2.217 -11.468 3.191 333 HB2 LYS 55 1HB LYS 55 4.031 -13.812 2.591 334 HB3 LYS 55 2HB LYS 55 4.507 -12.120 2.571 335 HG2 LYS 55 1HG LYS 55 4.418 -11.928 4.870 336 HG3 LYS 55 2HG LYS 55 3.333 -13.310 5.045 337 HD2 LYS 55 1HD LYS 55 5.385 -14.122 5.801 338 HD3 LYS 55 2HD LYS 55 5.299 -14.700 4.135 339 HE2 LYS 55 1HE LYS 55 6.586 -12.069 4.690 340 HE3 LYS 55 2HE LYS 55 7.473 -13.547 5.062 341 HZ1 LYS 55 1HZ LYS 55 8.005 -13.698 2.935 342 HZ2 LYS 55 2HZ LYS 55 7.104 -12.315 2.567 343 HZ3 LYS 55 3HZ LYS 55 6.371 -13.839 2.518 344 H ALA 56 H ALA 56 1.921 -10.372 1.369 345 HA ALA 56 HA ALA 56 1.455 -11.875 -1.110 346 HB1 ALA 56 1HB ALA 56 0.012 -9.831 0.086 347 HB2 ALA 56 2HB ALA 56 0.846 -9.050 -1.258 348 HB3 ALA 56 3HB ALA 56 -0.190 -10.446 -1.555 349 H GLU 57 H GLU 57 2.484 -11.317 -3.037 350 HA GLU 57 HA GLU 57 5.166 -10.464 -2.805 351 HB2 GLU 57 1HB GLU 57 3.932 -11.945 -4.614 352 HB3 GLU 57 2HB GLU 57 3.763 -10.403 -5.441 353 HG2 GLU 57 1HG GLU 57 6.316 -10.196 -5.013 354 HG3 GLU 57 2HG GLU 57 6.233 -11.944 -4.797 355 H VAL 58 H VAL 58 5.756 -8.447 -2.367 356 HA VAL 58 HA VAL 58 4.337 -6.247 -3.725 357 HB VAL 58 HB VAL 58 5.683 -6.191 -1.020 358 HG11 VAL 58 1HG1 VAL 58 4.319 -3.885 -1.139 359 HG12 VAL 58 2HG1 VAL 58 6.011 -4.034 -1.619 360 HG13 VAL 58 3HG1 VAL 58 4.740 -4.066 -2.842 361 HG21 VAL 58 1HG2 VAL 58 3.143 -7.072 -1.706 362 HG22 VAL 58 2HG2 VAL 58 3.697 -6.610 -0.097 363 HG23 VAL 58 3HG2 VAL 58 2.893 -5.426 -1.126 364 H SER 59 H SER 59 5.533 -4.662 -4.703 365 HA SER 59 HA SER 59 8.430 -4.664 -4.434 366 HB2 SER 59 1HB SER 59 8.082 -6.287 -6.219 367 HB3 SER 59 2HB SER 59 7.047 -5.150 -7.084 368 HG SER 59 HG SER 59 9.048 -3.746 -6.947 369 H ILE 60 H ILE 60 9.413 -2.740 -5.110 370 HA ILE 60 HA ILE 60 7.549 -0.569 -5.818 371 HB ILE 60 HB ILE 60 9.963 -0.352 -4.016 372 HG12 ILE 60 1HG1 ILE 60 7.125 0.156 -3.183 373 HG13 ILE 60 2HG1 ILE 60 7.758 -1.486 -3.191 374 HG21 ILE 60 1HG2 ILE 60 8.864 1.596 -5.604 375 HG22 ILE 60 2HG2 ILE 60 8.054 1.851 -4.059 376 HG23 ILE 60 3HG2 ILE 60 9.815 1.875 -4.146 377 HD11 ILE 60 1HD1 ILE 60 7.917 -0.464 -0.988 378 HD12 ILE 60 2HD1 ILE 60 9.513 -0.828 -1.645 379 HD13 ILE 60 3HD1 ILE 60 8.912 0.830 -1.656 380 H GLN 61 H GLN 61 8.081 0.649 -7.527 381 HA GLN 61 HA GLN 61 10.771 0.294 -8.675 382 HB2 GLN 61 1HB GLN 61 8.800 -0.646 -9.974 383 HB3 GLN 61 2HB GLN 61 8.284 1.017 -10.221 384 HG2 GLN 61 1HG GLN 61 9.447 0.605 -12.149 385 HG3 GLN 61 2HG GLN 61 10.690 1.347 -11.142 386 HE21 GLN 61 1HE2 GLN 61 12.555 0.331 -11.054 387 HE22 GLN 61 2HE2 GLN 61 12.822 -1.343 -11.389 388 H ASN 62 H ASN 62 12.000 2.043 -8.589 389 HA ASN 62 HA ASN 62 10.905 4.613 -7.929 390 HB2 ASN 62 1HB ASN 62 13.740 4.231 -8.821 391 HB3 ASN 62 2HB ASN 62 13.097 5.305 -7.583 392 HD21 ASN 62 1HD2 ASN 62 12.769 4.545 -5.525 393 HD22 ASN 62 2HD2 ASN 62 13.355 3.012 -4.986 394 H ASN 63 H ASN 63 10.944 6.493 -9.179 395 HA ASN 63 HA ASN 63 11.560 6.186 -12.029 396 HB2 ASN 63 1HB ASN 63 8.982 7.345 -10.946 397 HB3 ASN 63 2HB ASN 63 9.464 7.332 -12.640 398 HD21 ASN 63 1HD2 ASN 63 7.443 5.925 -10.623 399 HD22 ASN 63 2HD2 ASN 63 7.376 4.326 -11.274 400 H LYS 64 H LYS 64 12.100 8.108 -13.107 401 HA LYS 64 HA LYS 64 13.415 10.049 -11.522 402 HB2 LYS 64 1HB LYS 64 13.775 9.268 -14.024 403 HB3 LYS 64 2HB LYS 64 12.697 10.614 -14.366 404 HG2 LYS 64 1HG LYS 64 14.203 12.167 -13.351 405 HG3 LYS 64 2HG LYS 64 15.229 10.859 -12.759 406 HD2 LYS 64 1HD LYS 64 14.705 11.044 -15.685 407 HD3 LYS 64 2HD LYS 64 15.832 12.191 -14.956 408 HE2 LYS 64 1HE LYS 64 17.226 10.452 -15.576 409 HE3 LYS 64 2HE LYS 64 16.893 10.082 -13.885 410 HZ1 LYS 64 1HZ LYS 64 16.633 8.313 -15.843 411 HZ2 LYS 64 2HZ LYS 64 15.061 8.936 -15.828 412 HZ3 LYS 64 3HZ LYS 64 15.715 8.257 -14.423 413 H ASP 65 H ASP 65 10.180 9.715 -12.465 414 HA ASP 65 HA ASP 65 9.550 12.537 -12.453 415 HB2 ASP 65 1HB ASP 65 7.597 10.238 -12.332 416 HB3 ASP 65 2HB ASP 65 7.297 11.881 -12.892 417 H GLY 66 H GLY 66 10.840 11.709 -10.095 418 HA2 GLY 66 1HA GLY 66 10.591 11.580 -7.794 419 HA3 GLY 66 2HA GLY 66 9.540 12.957 -8.092 420 H THR 67 H THR 67 8.883 9.683 -9.181 421 HA THR 67 HA THR 67 6.802 9.428 -7.121 422 HB THR 67 HB THR 67 5.380 8.336 -8.983 423 HG1 THR 67 1HG THR 67 7.382 8.741 -10.452 424 HG21 THR 67 1HG2 THR 67 4.566 10.640 -9.722 425 HG22 THR 67 2HG2 THR 67 5.853 11.295 -8.710 426 HG23 THR 67 3HG2 THR 67 4.576 10.317 -7.989 427 H TYR 68 H TYR 68 5.805 7.115 -7.298 428 HA TYR 68 HA TYR 68 7.858 5.140 -7.985 429 HB2 TYR 68 1HB TYR 68 6.454 5.256 -5.307 430 HB3 TYR 68 2HB TYR 68 7.569 3.999 -5.831 431 HD1 TYR 68 2HD TYR 68 7.494 7.730 -5.549 432 HD2 TYR 68 1HD TYR 68 9.730 4.145 -5.052 433 HE1 TYR 68 2HE TYR 68 9.376 9.035 -4.653 434 HE2 TYR 68 1HE TYR 68 11.618 5.440 -4.154 435 HH TYR 68 HH TYR 68 12.403 8.004 -4.460 436 H ALA 69 H ALA 69 7.040 2.955 -8.143 437 HA ALA 69 HA ALA 69 4.130 2.851 -8.610 438 HB1 ALA 69 1HB ALA 69 6.353 1.623 -10.227 439 HB2 ALA 69 2HB ALA 69 4.657 1.167 -10.400 440 HB3 ALA 69 3HB ALA 69 5.166 2.820 -10.747 441 H VAL 70 H VAL 70 3.605 1.921 -6.650 442 HA VAL 70 HA VAL 70 4.938 -0.552 -5.859 443 HB VAL 70 HB VAL 70 2.854 1.136 -4.475 444 HG11 VAL 70 1HG1 VAL 70 2.323 -1.032 -3.778 445 HG12 VAL 70 2HG1 VAL 70 4.015 -1.532 -3.741 446 HG13 VAL 70 3HG1 VAL 70 3.395 -0.423 -2.517 447 HG21 VAL 70 1HG2 VAL 70 4.602 2.248 -3.677 448 HG22 VAL 70 2HG2 VAL 70 5.194 0.761 -2.936 449 HG23 VAL 70 3HG2 VAL 70 5.706 1.198 -4.566 450 H THR 71 H THR 71 3.945 -2.534 -5.740 451 HA THR 71 HA THR 71 1.151 -2.767 -6.560 452 HB THR 71 HB THR 71 3.127 -4.578 -7.896 453 HG1 THR 71 1HG THR 71 2.348 -1.990 -8.808 454 HG21 THR 71 1HG2 THR 71 0.375 -3.552 -8.592 455 HG22 THR 71 2HG2 THR 71 0.800 -5.180 -8.064 456 HG23 THR 71 3HG2 THR 71 1.344 -4.591 -9.635 457 H TYR 72 H TYR 72 0.157 -4.717 -5.947 458 HA TYR 72 HA TYR 72 1.752 -6.586 -4.355 459 HB2 TYR 72 1HB TYR 72 0.325 -6.476 -2.459 460 HB3 TYR 72 2HB TYR 72 0.716 -4.809 -2.869 461 HD1 TYR 72 2HD TYR 72 -1.923 -7.384 -2.976 462 HD2 TYR 72 1HD TYR 72 -0.982 -3.275 -3.551 463 HE1 TYR 72 2HE TYR 72 -4.323 -6.855 -3.080 464 HE2 TYR 72 1HE TYR 72 -3.379 -2.734 -3.656 465 HH TYR 72 HH TYR 72 -5.554 -3.831 -2.742 466 H VAL 73 H VAL 73 1.144 -8.665 -4.571 467 HA VAL 73 HA VAL 73 -1.291 -9.195 -6.145 468 HB VAL 73 HB VAL 73 1.215 -10.871 -5.944 469 HG11 VAL 73 1HG1 VAL 73 -0.590 -12.354 -6.279 470 HG12 VAL 73 2HG1 VAL 73 -1.374 -11.264 -7.424 471 HG13 VAL 73 3HG1 VAL 73 0.116 -12.095 -7.874 472 HG21 VAL 73 1HG2 VAL 73 1.186 -8.634 -7.275 473 HG22 VAL 73 2HG2 VAL 73 1.863 -10.083 -8.018 474 HG23 VAL 73 3HG2 VAL 73 0.235 -9.553 -8.441 475 HA PRO 74 HA PRO 74 -2.495 -11.015 -2.182 476 HB2 PRO 74 1HB PRO 74 -5.134 -11.147 -2.806 477 HB3 PRO 74 2HB PRO 74 -4.354 -9.666 -2.238 478 HG2 PRO 74 1HG PRO 74 -5.035 -10.498 -5.032 479 HG3 PRO 74 2HG PRO 74 -5.230 -8.915 -4.257 480 HD2 PRO 74 1HD PRO 74 -3.170 -9.477 -5.921 481 HD3 PRO 74 2HD PRO 74 -3.014 -8.355 -4.554 482 H LEU 75 H LEU 75 -1.429 -13.006 -2.640 483 HA LEU 75 HA LEU 75 -2.095 -14.919 -4.492 484 HB2 LEU 75 1HB LEU 75 -1.221 -15.344 -1.639 485 HB3 LEU 75 2HB LEU 75 -1.197 -16.579 -2.896 486 HG LEU 75 HG LEU 75 0.373 -14.023 -3.122 487 HD11 LEU 75 1HD1 LEU 75 1.921 -16.372 -2.442 488 HD12 LEU 75 2HD1 LEU 75 0.785 -15.939 -1.165 489 HD13 LEU 75 3HD1 LEU 75 1.956 -14.753 -1.742 490 HD21 LEU 75 1HD2 LEU 75 0.996 -16.679 -4.357 491 HD22 LEU 75 2HD2 LEU 75 1.500 -15.067 -4.864 492 HD23 LEU 75 3HD2 LEU 75 -0.170 -15.586 -5.103 493 H THR 76 H THR 76 -3.662 -14.227 -1.418 494 HA THR 76 HA THR 76 -5.801 -16.112 -2.166 495 HB THR 76 HB THR 76 -4.533 -16.959 -0.226 496 HG1 THR 76 1HG THR 76 -6.948 -16.144 0.914 497 HG21 THR 76 1HG2 THR 76 -3.700 -15.392 1.153 498 HG22 THR 76 2HG2 THR 76 -5.294 -15.417 1.907 499 HG23 THR 76 3HG2 THR 76 -4.916 -14.204 0.685 500 H ALA 77 H ALA 77 -7.938 -15.524 -1.564 501 HA ALA 77 HA ALA 77 -8.421 -12.696 -1.722 502 HB1 ALA 77 1HB ALA 77 -9.781 -14.706 -2.724 503 HB2 ALA 77 2HB ALA 77 -10.609 -14.639 -1.168 504 HB3 ALA 77 3HB ALA 77 -10.594 -13.224 -2.221 505 H GLY 78 H GLY 78 -9.614 -11.437 -0.215 506 HA2 GLY 78 1HA GLY 78 -10.784 -11.722 2.069 507 HA3 GLY 78 2HA GLY 78 -9.212 -12.335 2.559 508 H MET 79 H MET 79 -10.134 -10.283 3.973 509 HA MET 79 HA MET 79 -9.504 -7.716 2.948 510 HB2 MET 79 1HB MET 79 -9.899 -8.785 5.735 511 HB3 MET 79 2HB MET 79 -9.473 -7.105 5.440 512 HG2 MET 79 1HG MET 79 -11.909 -8.495 4.350 513 HG3 MET 79 2HG MET 79 -11.880 -7.433 5.756 514 HE1 MET 79 1HE MET 79 -11.304 -3.936 4.314 515 HE2 MET 79 2HE MET 79 -11.901 -4.880 5.679 516 HE3 MET 79 3HE MET 79 -10.212 -5.013 5.185 517 H TYR 80 H TYR 80 -7.571 -6.886 2.545 518 HA TYR 80 HA TYR 80 -5.213 -8.107 3.783 519 HB2 TYR 80 1HB TYR 80 -5.728 -6.649 1.243 520 HB3 TYR 80 2HB TYR 80 -4.138 -6.454 1.971 521 HD1 TYR 80 2HD TYR 80 -6.456 -8.820 0.397 522 HD2 TYR 80 1HD TYR 80 -2.581 -8.304 2.077 523 HE1 TYR 80 2HE TYR 80 -5.752 -10.962 -0.584 524 HE2 TYR 80 1HE TYR 80 -1.866 -10.445 1.100 525 HH TYR 80 HH TYR 80 -4.128 -12.471 -0.740 526 H THR 81 H THR 81 -3.529 -6.795 4.649 527 HA THR 81 HA THR 81 -4.483 -4.190 5.646 528 HB THR 81 HB THR 81 -2.602 -6.152 6.971 529 HG1 THR 81 1HG THR 81 -4.328 -6.752 8.042 530 HG21 THR 81 1HG2 THR 81 -1.833 -4.502 8.255 531 HG22 THR 81 2HG2 THR 81 -3.476 -4.011 8.669 532 HG23 THR 81 3HG2 THR 81 -2.693 -3.350 7.234 533 H LEU 82 H LEU 82 -3.602 -2.885 4.070 534 HA LEU 82 HA LEU 82 -0.892 -3.148 3.193 535 HB2 LEU 82 1HB LEU 82 -2.548 -0.668 2.899 536 HB3 LEU 82 2HB LEU 82 -1.293 -1.290 1.830 537 HG LEU 82 HG LEU 82 -3.898 -2.738 2.201 538 HD11 LEU 82 1HD1 LEU 82 -5.030 -1.243 1.019 539 HD12 LEU 82 2HD1 LEU 82 -3.792 -1.231 -0.236 540 HD13 LEU 82 3HD1 LEU 82 -3.651 -0.151 1.151 541 HD21 LEU 82 1HD2 LEU 82 -3.157 -3.224 -0.299 542 HD22 LEU 82 2HD2 LEU 82 -2.545 -4.168 1.059 543 HD23 LEU 82 3HD2 LEU 82 -1.565 -2.871 0.372 544 H THR 83 H THR 83 0.881 -2.418 4.152 545 HA THR 83 HA THR 83 0.621 -0.248 6.130 546 HB THR 83 HB THR 83 2.608 -2.516 6.313 547 HG1 THR 83 1HG THR 83 0.357 -3.160 6.620 548 HG21 THR 83 1HG2 THR 83 2.561 -0.018 7.531 549 HG22 THR 83 2HG2 THR 83 3.496 -1.422 8.047 550 HG23 THR 83 3HG2 THR 83 1.910 -1.112 8.751 551 H MET 84 H MET 84 1.372 1.459 4.985 552 HA MET 84 HA MET 84 3.953 1.166 3.607 553 HB2 MET 84 1HB MET 84 1.998 1.978 2.273 554 HB3 MET 84 2HB MET 84 1.932 3.393 3.314 555 HG2 MET 84 1HG MET 84 4.224 3.973 2.617 556 HG3 MET 84 2HG MET 84 4.206 2.600 1.513 557 HE1 MET 84 1HE MET 84 3.491 2.538 -0.620 558 HE2 MET 84 2HE MET 84 1.740 2.604 -0.428 559 HE3 MET 84 3HE MET 84 2.548 3.716 -1.533 560 H LYS 85 H LYS 85 5.687 1.963 4.578 561 HA LYS 85 HA LYS 85 5.339 4.187 6.481 562 HB2 LYS 85 1HB LYS 85 6.912 1.661 6.688 563 HB3 LYS 85 2HB LYS 85 7.570 3.111 7.435 564 HG2 LYS 85 1HG LYS 85 5.121 3.255 8.435 565 HG3 LYS 85 2HG LYS 85 5.183 1.512 8.162 566 HD2 LYS 85 1HD LYS 85 7.534 1.768 9.338 567 HD3 LYS 85 2HD LYS 85 6.777 3.210 10.018 568 HE2 LYS 85 1HE LYS 85 4.885 1.780 10.773 569 HE3 LYS 85 2HE LYS 85 5.782 0.370 10.214 570 HZ1 LYS 85 1HZ LYS 85 6.038 1.790 12.647 571 HZ2 LYS 85 2HZ LYS 85 7.514 1.803 11.822 572 HZ3 LYS 85 3HZ LYS 85 6.762 0.332 12.185 573 H TYR 86 H TYR 86 6.277 5.992 5.813 574 HA TYR 86 HA TYR 86 8.525 5.806 3.928 575 HB2 TYR 86 1HB TYR 86 6.423 7.065 3.271 576 HB3 TYR 86 2HB TYR 86 6.847 8.249 4.502 577 HD1 TYR 86 1HD TYR 86 8.806 9.693 4.217 578 HD2 TYR 86 2HD TYR 86 7.647 6.928 1.198 579 HE1 TYR 86 1HE TYR 86 10.248 10.861 2.602 580 HE2 TYR 86 2HE TYR 86 9.087 8.087 -0.425 581 HH TYR 86 HH TYR 86 10.121 10.994 -0.217 582 H GLY 87 H GLY 87 10.499 6.418 4.538 583 HA2 GLY 87 1HA GLY 87 12.212 7.204 5.849 584 HA3 GLY 87 2HA GLY 87 11.151 8.564 6.185 585 H GLY 88 H GLY 88 10.367 5.254 7.037 586 HA2 GLY 88 1HA GLY 88 10.365 4.175 9.088 587 HA3 GLY 88 2HA GLY 88 11.275 5.520 9.758 588 H GLU 89 H GLU 89 8.600 6.686 8.139 589 HA GLU 89 HA GLU 89 6.967 6.658 10.590 590 HB2 GLU 89 1HB GLU 89 7.316 9.003 8.714 591 HB3 GLU 89 2HB GLU 89 6.320 8.970 10.162 592 HG2 GLU 89 1HG GLU 89 8.637 8.312 11.274 593 HG3 GLU 89 2HG GLU 89 9.257 9.194 9.880 594 H LEU 90 H LEU 90 4.884 6.126 10.331 595 HA LEU 90 HA LEU 90 3.940 5.039 7.929 596 HB2 LEU 90 1HB LEU 90 2.755 5.744 10.553 597 HB3 LEU 90 2HB LEU 90 1.643 5.483 9.211 598 HG LEU 90 HG LEU 90 3.682 3.469 10.151 599 HD11 LEU 90 1HD1 LEU 90 0.721 3.618 10.700 600 HD12 LEU 90 2HD1 LEU 90 2.011 3.861 11.878 601 HD13 LEU 90 3HD1 LEU 90 1.786 2.279 11.131 602 HD21 LEU 90 1HD2 LEU 90 2.538 3.610 7.719 603 HD22 LEU 90 2HD2 LEU 90 1.306 2.693 8.587 604 HD23 LEU 90 3HD2 LEU 90 2.964 2.094 8.514 605 H VAL 91 H VAL 91 2.332 5.750 6.477 606 HA VAL 91 HA VAL 91 2.310 8.652 6.115 607 HB VAL 91 HB VAL 91 1.073 7.810 3.911 608 HG11 VAL 91 1HG1 VAL 91 3.300 7.723 2.819 609 HG12 VAL 91 2HG1 VAL 91 3.102 9.103 3.901 610 HG13 VAL 91 3HG1 VAL 91 4.043 7.704 4.418 611 HG21 VAL 91 1HG2 VAL 91 1.189 5.432 4.847 612 HG22 VAL 91 2HG2 VAL 91 1.694 5.674 3.175 613 HG23 VAL 91 3HG2 VAL 91 2.905 5.492 4.443 614 HA PRO 92 HA PRO 92 -1.902 9.252 7.187 615 HB2 PRO 92 1HB PRO 92 -2.741 11.017 5.302 616 HB3 PRO 92 2HB PRO 92 -1.637 11.460 6.609 617 HG2 PRO 92 1HG PRO 92 -1.021 10.777 3.761 618 HG3 PRO 92 2HG PRO 92 -0.353 12.072 4.770 619 HD2 PRO 92 1HD PRO 92 0.971 9.756 4.308 620 HD3 PRO 92 2HD PRO 92 1.124 10.656 5.831 621 H HIS 93 H HIS 93 -1.062 7.459 4.579 622 HA HIS 93 HA HIS 93 -3.868 6.942 3.842 623 HB2 HIS 93 1HB HIS 93 -1.461 6.443 2.085 624 HB3 HIS 93 2HB HIS 93 -3.158 6.333 1.627 625 HD1 HIS 93 1HD HIS 93 -4.188 8.390 0.668 626 HD2 HIS 93 2HD HIS 93 -0.622 9.190 2.644 627 HE1 HIS 93 1HE HIS 93 -3.692 10.811 0.206 628 HE2 HIS 93 2HE HIS 93 -1.487 11.250 1.341 629 H PHE 94 H PHE 94 -1.922 5.785 5.906 630 HA PHE 94 HA PHE 94 -2.737 3.049 5.542 631 HB2 PHE 94 1HB PHE 94 0.208 3.744 5.546 632 HB3 PHE 94 2HB PHE 94 -0.444 2.115 5.698 633 HD1 PHE 94 2HD PHE 94 -0.174 5.020 3.430 634 HD2 PHE 94 1HD PHE 94 -1.084 0.879 3.804 635 HE1 PHE 94 2HE PHE 94 -0.198 4.807 0.979 636 HE2 PHE 94 1HE PHE 94 -1.109 0.659 1.354 637 HZ PHE 94 HZ PHE 94 -0.667 2.625 -0.062 638 HA PRO 95 HA PRO 95 -1.895 1.053 6.501 639 HB2 PRO 95 1HB PRO 95 -3.506 -0.423 8.112 640 HB3 PRO 95 2HB PRO 95 -1.761 -0.291 8.359 641 HG2 PRO 95 1HG PRO 95 -3.984 1.167 9.735 642 HG3 PRO 95 2HG PRO 95 -2.520 0.447 10.430 643 HD2 PRO 95 1HD PRO 95 -2.750 3.101 9.946 644 HD3 PRO 95 2HD PRO 95 -1.202 2.239 9.830 645 H ALA 96 H ALA 96 -3.547 0.116 5.230 646 HA ALA 96 HA ALA 96 -6.200 1.364 5.430 647 HB1 ALA 96 1HB ALA 96 -4.978 2.597 3.733 648 HB2 ALA 96 2HB ALA 96 -4.592 1.095 2.892 649 HB3 ALA 96 3HB ALA 96 -6.265 1.645 2.992 650 H ARG 97 H ARG 97 -7.824 -0.050 5.298 651 HA ARG 97 HA ARG 97 -7.200 -2.830 4.692 652 HB2 ARG 97 1HB ARG 97 -9.357 -1.402 6.152 653 HB3 ARG 97 2HB ARG 97 -9.790 -2.922 5.380 654 HG2 ARG 97 1HG ARG 97 -9.078 -3.055 7.793 655 HG3 ARG 97 2HG ARG 97 -8.244 -4.137 6.675 656 HD2 ARG 97 1HD ARG 97 -6.357 -2.600 6.576 657 HD3 ARG 97 2HD ARG 97 -7.197 -1.483 7.651 658 HE ARG 97 HE ARG 97 -6.779 -4.149 8.700 659 HH11 ARG 97 1HH1 ARG 97 -5.601 -0.882 8.466 660 HH12 ARG 97 2HH1 ARG 97 -4.616 -0.996 9.886 661 HH21 ARG 97 1HH2 ARG 97 -5.486 -4.313 10.572 662 HH22 ARG 97 2HH2 ARG 97 -4.550 -2.949 11.083 663 H VAL 98 H VAL 98 -7.795 -3.856 2.886 664 HA VAL 98 HA VAL 98 -9.823 -2.617 1.155 665 HB VAL 98 HB VAL 98 -7.164 -3.707 0.221 666 HG11 VAL 98 1HG1 VAL 98 -9.704 -3.267 -1.152 667 HG12 VAL 98 2HG1 VAL 98 -8.332 -2.469 -1.923 668 HG13 VAL 98 3HG1 VAL 98 -8.297 -4.210 -1.642 669 HG21 VAL 98 1HG2 VAL 98 -8.180 -0.923 -0.210 670 HG22 VAL 98 2HG2 VAL 98 -7.337 -1.357 1.277 671 HG23 VAL 98 3HG2 VAL 98 -6.525 -1.527 -0.279 672 H LYS 99 H LYS 99 -11.353 -3.999 0.558 673 HA LYS 99 HA LYS 99 -11.136 -6.787 1.241 674 HB2 LYS 99 1HB LYS 99 -13.249 -5.659 1.593 675 HB3 LYS 99 2HB LYS 99 -13.331 -5.202 -0.103 676 HG2 LYS 99 1HG LYS 99 -13.486 -7.586 -0.709 677 HG3 LYS 99 2HG LYS 99 -13.491 -7.997 1.008 678 HD2 LYS 99 1HD LYS 99 -15.554 -6.798 1.339 679 HD3 LYS 99 2HD LYS 99 -15.518 -6.201 -0.322 680 HE2 LYS 99 1HE LYS 99 -15.702 -9.108 0.462 681 HE3 LYS 99 2HE LYS 99 -17.077 -8.100 0.011 682 HZ1 LYS 99 1HZ LYS 99 -16.373 -9.357 -1.880 683 HZ2 LYS 99 2HZ LYS 99 -14.773 -8.834 -1.712 684 HZ3 LYS 99 3HZ LYS 99 -15.980 -7.734 -2.154 685 H VAL 100 H VAL 100 -10.428 -8.357 -0.037 686 HA VAL 100 HA VAL 100 -10.202 -7.825 -2.921 687 HB VAL 100 HB VAL 100 -8.704 -9.806 -1.201 688 HG11 VAL 100 1HG1 VAL 100 -7.552 -10.539 -3.101 689 HG12 VAL 100 2HG1 VAL 100 -9.238 -10.475 -3.616 690 HG13 VAL 100 3HG1 VAL 100 -8.124 -9.189 -4.080 691 HG21 VAL 100 1HG2 VAL 100 -7.733 -7.765 -0.728 692 HG22 VAL 100 2HG2 VAL 100 -6.765 -8.315 -2.095 693 HG23 VAL 100 3HG2 VAL 100 -8.042 -7.124 -2.341 694 H GLU 101 H GLU 101 -11.202 -9.096 -4.381 695 HA GLU 101 HA GLU 101 -12.989 -11.166 -3.341 696 HB2 GLU 101 1HB GLU 101 -12.952 -9.457 -5.787 697 HB3 GLU 101 2HB GLU 101 -13.772 -11.010 -5.865 698 HG2 GLU 101 1HG GLU 101 -14.364 -9.019 -3.705 699 HG3 GLU 101 2HG GLU 101 -15.162 -8.961 -5.275 700 HA PRO 102 HA PRO 102 -10.737 -14.545 -5.001 701 HB2 PRO 102 1HB PRO 102 -12.736 -16.203 -5.789 702 HB3 PRO 102 2HB PRO 102 -12.339 -15.916 -4.090 703 HG2 PRO 102 1HG PRO 102 -14.510 -14.705 -5.758 704 HG3 PRO 102 2HG PRO 102 -14.583 -15.304 -4.091 705 HD2 PRO 102 1HD PRO 102 -14.368 -12.671 -4.685 706 HD3 PRO 102 2HD PRO 102 -13.648 -13.383 -3.227 707 H ALA 103 H ALA 103 -9.964 -15.421 -6.908 708 HA ALA 103 HA ALA 103 -11.017 -14.200 -9.370 709 HB1 ALA 103 1HB ALA 103 -8.315 -15.459 -9.222 710 HB2 ALA 103 2HB ALA 103 -8.886 -14.135 -10.239 711 HB3 ALA 103 3HB ALA 103 -8.573 -13.859 -8.525 712 H VAL 104 H VAL 104 -12.301 -16.469 -8.321 713 HA VAL 104 HA VAL 104 -11.342 -18.833 -9.642 714 HB VAL 104 HB VAL 104 -14.013 -18.283 -8.341 715 HG11 VAL 104 1HG1 VAL 104 -14.702 -20.255 -9.090 716 HG12 VAL 104 2HG1 VAL 104 -13.210 -20.411 -10.019 717 HG13 VAL 104 3HG1 VAL 104 -13.296 -21.041 -8.374 718 HG21 VAL 104 1HG2 VAL 104 -13.024 -19.738 -6.526 719 HG22 VAL 104 2HG2 VAL 104 -11.465 -19.519 -7.322 720 HG23 VAL 104 3HG2 VAL 104 -12.331 -18.123 -6.681 721 H ASP 105 H ASP 105 -11.607 -19.301 -11.714 722 HA ASP 105 HA ASP 105 -14.066 -18.517 -13.078 723 HB2 ASP 105 1HB ASP 105 -12.707 -17.745 -15.063 724 HB3 ASP 105 2HB ASP 105 -12.655 -16.682 -13.659 725 H THR 106 H THR 106 -14.597 -19.810 -14.855 726 HA THR 106 HA THR 106 -13.001 -22.277 -15.077 727 HB THR 106 HB THR 106 -15.954 -21.969 -15.646 728 HG1 THR 106 1HG THR 106 -16.310 -22.574 -13.617 729 HG21 THR 106 1HG2 THR 106 -16.013 -24.337 -15.834 730 HG22 THR 106 2HG2 THR 106 -14.360 -24.494 -15.239 731 HG23 THR 106 3HG2 THR 106 -14.662 -23.794 -16.829 732 H SER 107 H SER 107 -12.050 -22.647 -16.964 733 HA SER 107 HA SER 107 -13.069 -21.243 -19.346 734 HB2 SER 107 1HB SER 107 -10.301 -21.823 -18.386 735 HB3 SER 107 2HB SER 107 -10.590 -21.782 -20.125 736 HG SER 107 HG SER 107 -10.101 -19.736 -18.702 737 H SER 108 H SER 108 -11.072 -24.103 -18.592 738 HA SER 108 HA SER 108 -11.467 -25.512 -20.916 739 HB2 SER 108 1HB SER 108 -10.987 -27.553 -19.600 740 HB3 SER 108 2HB SER 108 -9.889 -26.234 -19.196 741 HG SER 108 HG SER 108 -10.718 -26.125 -17.249 742 H GLY 109 H GLY 109 -13.436 -25.718 -17.952 743 HA2 GLY 109 1HA GLY 109 -15.873 -25.740 -18.232 744 HA3 GLY 109 2HA GLY 109 -15.626 -26.782 -19.626 745 HA PRO 110 HA PRO 110 -16.011 -29.121 -15.430 746 HB2 PRO 110 1HB PRO 110 -18.701 -29.432 -15.237 747 HB3 PRO 110 2HB PRO 110 -17.835 -28.082 -14.494 748 HG2 PRO 110 1HG PRO 110 -19.365 -28.164 -17.065 749 HG3 PRO 110 2HG PRO 110 -19.355 -26.913 -15.808 750 HD2 PRO 110 1HD PRO 110 -17.937 -26.684 -18.104 751 HD3 PRO 110 2HD PRO 110 -17.383 -25.991 -16.566 752 H SER 111 H SER 111 -15.224 -30.957 -16.352 753 HA SER 111 HA SER 111 -16.889 -32.387 -18.294 754 HB2 SER 111 1HB SER 111 -14.882 -33.738 -18.736 755 HB3 SER 111 2HB SER 111 -14.535 -32.017 -18.908 756 HG SER 111 HG SER 111 -13.067 -32.268 -17.443 757 H SER 112 H SER 112 -17.730 -34.383 -17.916 758 HA SER 112 HA SER 112 -18.811 -35.873 -16.515 759 HB2 SER 112 1HB SER 112 -17.202 -37.557 -15.643 760 HB3 SER 112 2HB SER 112 -16.880 -37.115 -17.320 761 HG SER 112 HG SER 112 -15.189 -37.046 -15.344 762 H GLY 113 H GLY 113 -18.757 -33.402 -15.246 763 HA2 GLY 113 1HA GLY 113 -17.785 -33.801 -12.536 764 HA3 GLY 113 2HA GLY 113 -18.574 -32.361 -13.162 Start of MODEL 12 1 H1 GLY 1 H GLY 1 26.978 31.126 3.950 2 HA2 GLY 1 1HA GLY 1 27.179 29.177 2.654 3 HA3 GLY 1 2HA GLY 1 27.338 28.542 4.285 4 H SER 2 H SER 2 24.659 29.604 2.179 5 HA SER 2 HA SER 2 22.731 27.907 3.260 6 HB2 SER 2 1HB SER 2 21.513 28.259 1.098 7 HB3 SER 2 2HB SER 2 22.078 29.752 1.846 8 HG SER 2 HG SER 2 22.480 29.459 -0.492 9 H SER 3 H SER 3 22.906 25.772 3.424 10 HA SER 3 HA SER 3 24.469 24.182 1.650 11 HB2 SER 3 1HB SER 3 22.505 23.466 3.833 12 HB3 SER 3 2HB SER 3 23.410 22.260 2.918 13 HG SER 3 HG SER 3 25.268 23.790 3.639 14 H GLY 4 H GLY 4 23.766 22.566 0.198 15 HA2 GLY 4 1HA GLY 4 21.558 23.327 -1.419 16 HA3 GLY 4 2HA GLY 4 22.523 21.870 -1.606 17 H SER 5 H SER 5 19.554 23.175 -0.575 18 HA SER 5 HA SER 5 18.554 20.503 -0.016 19 HB2 SER 5 1HB SER 5 19.258 21.333 2.197 20 HB3 SER 5 2HB SER 5 18.241 22.758 1.982 21 HG SER 5 HG SER 5 17.505 20.091 2.439 22 H SER 6 H SER 6 16.348 20.272 -0.361 23 HA SER 6 HA SER 6 15.091 22.544 -1.734 24 HB2 SER 6 1HB SER 6 15.395 20.394 -2.994 25 HB3 SER 6 2HB SER 6 14.289 19.629 -1.854 26 HG SER 6 HG SER 6 13.772 21.541 -3.834 27 H GLY 7 H GLY 7 14.112 19.792 0.324 28 HA2 GLY 7 1HA GLY 7 12.527 21.576 1.976 29 HA3 GLY 7 2HA GLY 7 11.603 20.414 1.035 30 HA PRO 8 HA PRO 8 13.428 18.633 5.098 31 HB2 PRO 8 1HB PRO 8 11.311 18.986 6.761 32 HB3 PRO 8 2HB PRO 8 12.617 20.167 6.604 33 HG2 PRO 8 1HG PRO 8 9.903 20.167 5.343 34 HG3 PRO 8 2HG PRO 8 10.792 21.510 6.084 35 HD2 PRO 8 1HD PRO 8 10.670 21.147 3.404 36 HD3 PRO 8 2HD PRO 8 12.086 21.854 4.207 37 H PHE 9 H PHE 9 12.759 16.631 6.035 38 HA PHE 9 HA PHE 9 11.172 15.033 4.270 39 HB2 PHE 9 1HB PHE 9 12.887 13.771 5.141 40 HB3 PHE 9 2HB PHE 9 12.801 14.548 6.719 41 HD1 PHE 9 2HD PHE 9 10.873 13.951 8.244 42 HD2 PHE 9 1HD PHE 9 11.844 11.721 4.751 43 HE1 PHE 9 2HE PHE 9 9.602 12.035 9.119 44 HE2 PHE 9 1HE PHE 9 10.573 9.802 5.619 45 HZ PHE 9 HZ PHE 9 9.451 9.956 7.806 46 H ASP 10 H ASP 10 9.141 14.256 4.525 47 HA ASP 10 HA ASP 10 7.735 14.346 7.013 48 HB2 ASP 10 1HB ASP 10 7.297 16.485 4.975 49 HB3 ASP 10 2HB ASP 10 5.901 15.866 5.854 50 HA PRO 11 HA PRO 11 5.986 11.020 4.595 51 HB2 PRO 11 1HB PRO 11 4.568 9.937 6.642 52 HB3 PRO 11 2HB PRO 11 6.309 9.700 6.448 53 HG2 PRO 11 1HG PRO 11 4.845 11.611 8.227 54 HG3 PRO 11 2HG PRO 11 6.260 10.605 8.589 55 HD2 PRO 11 1HD PRO 11 6.458 13.242 8.007 56 HD3 PRO 11 2HD PRO 11 7.720 12.070 7.572 57 H SER 12 H SER 12 4.242 13.350 6.548 58 HA SER 12 HA SER 12 1.621 12.667 5.802 59 HB2 SER 12 1HB SER 12 2.774 15.350 6.602 60 HB3 SER 12 2HB SER 12 1.050 14.994 6.483 61 HG SER 12 HG SER 12 2.033 14.791 8.630 62 H LYS 13 H LYS 13 4.058 14.676 4.263 63 HA LYS 13 HA LYS 13 2.365 15.835 2.308 64 HB2 LYS 13 1HB LYS 13 5.344 15.336 2.157 65 HB3 LYS 13 2HB LYS 13 4.427 16.462 1.165 66 HG2 LYS 13 1HG LYS 13 4.583 16.680 4.157 67 HG3 LYS 13 2HG LYS 13 5.732 17.464 3.070 68 HD2 LYS 13 1HD LYS 13 4.232 19.165 3.291 69 HD3 LYS 13 2HD LYS 13 3.484 18.316 1.936 70 HE2 LYS 13 1HE LYS 13 1.768 17.511 3.211 71 HE3 LYS 13 2HE LYS 13 2.732 17.484 4.687 72 HZ1 LYS 13 1HZ LYS 13 2.040 19.509 5.235 73 HZ2 LYS 13 2HZ LYS 13 0.868 19.356 4.025 74 HZ3 LYS 13 3HZ LYS 13 2.332 20.135 3.691 75 H VAL 14 H VAL 14 3.847 12.738 2.609 76 HA VAL 14 HA VAL 14 4.024 11.972 -0.082 77 HB VAL 14 HB VAL 14 3.494 10.283 2.365 78 HG11 VAL 14 1HG1 VAL 14 3.608 9.599 -0.475 79 HG12 VAL 14 2HG1 VAL 14 4.698 8.648 0.535 80 HG13 VAL 14 3HG1 VAL 14 2.970 8.682 0.890 81 HG21 VAL 14 1HG2 VAL 14 5.623 11.558 2.331 82 HG22 VAL 14 2HG2 VAL 14 5.854 9.809 2.319 83 HG23 VAL 14 3HG2 VAL 14 6.051 10.735 0.831 84 H VAL 15 H VAL 15 2.534 11.522 -1.565 85 HA VAL 15 HA VAL 15 -0.247 11.128 -0.672 86 HB VAL 15 HB VAL 15 0.736 12.250 -3.300 87 HG11 VAL 15 1HG1 VAL 15 -1.747 11.048 -2.586 88 HG12 VAL 15 2HG1 VAL 15 -2.008 12.773 -2.857 89 HG13 VAL 15 3HG1 VAL 15 -1.273 11.781 -4.118 90 HG21 VAL 15 1HG2 VAL 15 -0.767 14.196 -2.175 91 HG22 VAL 15 2HG2 VAL 15 -0.043 13.473 -0.739 92 HG23 VAL 15 3HG2 VAL 15 0.987 14.093 -2.028 93 H ALA 16 H ALA 16 -0.925 9.107 -0.868 94 HA ALA 16 HA ALA 16 0.096 7.488 -3.112 95 HB1 ALA 16 1HB ALA 16 -0.908 5.778 -1.099 96 HB2 ALA 16 2HB ALA 16 0.761 5.971 -1.639 97 HB3 ALA 16 3HB ALA 16 0.144 6.957 -0.313 98 H SER 17 H SER 17 -1.364 6.747 -4.509 99 HA SER 17 HA SER 17 -4.124 6.327 -3.664 100 HB2 SER 17 1HB SER 17 -5.028 7.630 -5.543 101 HB3 SER 17 2HB SER 17 -4.082 8.653 -4.464 102 HG SER 17 HG SER 17 -2.846 9.100 -6.089 103 H GLY 18 H GLY 18 -5.416 5.480 -5.677 104 HA2 GLY 18 1HA GLY 18 -4.781 4.334 -7.903 105 HA3 GLY 18 2HA GLY 18 -3.736 3.375 -6.865 106 HA PRO 19 HA PRO 19 -8.090 1.546 -7.220 107 HB2 PRO 19 1HB PRO 19 -7.425 -0.659 -8.658 108 HB3 PRO 19 2HB PRO 19 -7.908 0.867 -9.408 109 HG2 PRO 19 1HG PRO 19 -5.163 -0.244 -8.973 110 HG3 PRO 19 2HG PRO 19 -5.828 0.568 -10.402 111 HD2 PRO 19 1HD PRO 19 -4.245 1.838 -8.610 112 HD3 PRO 19 2HD PRO 19 -5.537 2.669 -9.500 113 H GLY 20 H GLY 20 -4.892 0.152 -6.673 114 HA2 GLY 20 1HA GLY 20 -5.674 -2.178 -5.320 115 HA3 GLY 20 2HA GLY 20 -4.130 -1.360 -5.124 116 H LEU 21 H LEU 21 -5.648 1.122 -4.283 117 HA LEU 21 HA LEU 21 -5.762 0.427 -1.467 118 HB2 LEU 21 1HB LEU 21 -5.562 2.926 -3.048 119 HB3 LEU 21 2HB LEU 21 -6.312 3.034 -1.457 120 HG LEU 21 HG LEU 21 -3.648 1.717 -1.709 121 HD11 LEU 21 1HD1 LEU 21 -3.344 3.744 -2.982 122 HD12 LEU 21 2HD1 LEU 21 -2.560 3.909 -1.412 123 HD13 LEU 21 3HD1 LEU 21 -4.110 4.696 -1.710 124 HD21 LEU 21 1HD2 LEU 21 -5.339 2.931 0.372 125 HD22 LEU 21 2HD2 LEU 21 -3.612 3.266 0.502 126 HD23 LEU 21 3HD2 LEU 21 -4.188 1.599 0.475 127 H GLU 22 H GLU 22 -7.912 0.285 -3.910 128 HA GLU 22 HA GLU 22 -10.183 1.073 -2.207 129 HB2 GLU 22 1HB GLU 22 -10.123 0.783 -5.216 130 HB3 GLU 22 2HB GLU 22 -11.489 1.326 -4.252 131 HG2 GLU 22 1HG GLU 22 -9.724 3.131 -3.451 132 HG3 GLU 22 2HG GLU 22 -9.016 2.762 -5.022 133 H HIS 23 H HIS 23 -8.862 -1.433 -4.291 134 HA HIS 23 HA HIS 23 -10.090 -3.524 -2.861 135 HB2 HIS 23 1HB HIS 23 -11.732 -4.319 -4.438 136 HB3 HIS 23 2HB HIS 23 -12.108 -2.645 -4.042 137 HD1 HIS 23 1HD HIS 23 -11.064 -4.848 -6.850 138 HD2 HIS 23 2HD HIS 23 -11.732 -0.807 -6.153 139 HE1 HIS 23 1HE HIS 23 -11.145 -3.778 -9.124 140 HE2 HIS 23 2HE HIS 23 -11.465 -1.320 -8.674 141 H GLY 24 H GLY 24 -9.687 -5.660 -3.858 142 HA2 GLY 24 1HA GLY 24 -7.700 -5.621 -6.016 143 HA3 GLY 24 2HA GLY 24 -7.240 -6.331 -4.476 144 H LYS 25 H LYS 25 -7.004 -7.970 -6.513 145 HA LYS 25 HA LYS 25 -9.200 -9.860 -6.114 146 HB2 LYS 25 1HB LYS 25 -9.426 -8.499 -8.303 147 HB3 LYS 25 2HB LYS 25 -8.063 -9.456 -8.869 148 HG2 LYS 25 1HG LYS 25 -9.362 -11.507 -8.434 149 HG3 LYS 25 2HG LYS 25 -10.738 -10.505 -7.966 150 HD2 LYS 25 1HD LYS 25 -11.034 -9.693 -10.138 151 HD3 LYS 25 2HD LYS 25 -9.409 -10.169 -10.635 152 HE2 LYS 25 1HE LYS 25 -11.330 -12.275 -9.763 153 HE3 LYS 25 2HE LYS 25 -11.517 -11.562 -11.365 154 HZ1 LYS 25 1HZ LYS 25 -8.990 -12.760 -10.372 155 HZ2 LYS 25 2HZ LYS 25 -9.323 -12.241 -11.947 156 HZ3 LYS 25 3HZ LYS 25 -10.123 -13.591 -11.315 157 H VAL 26 H VAL 26 -8.563 -11.955 -5.975 158 HA VAL 26 HA VAL 26 -5.938 -12.605 -5.373 159 HB VAL 26 HB VAL 26 -8.236 -14.332 -6.266 160 HG11 VAL 26 1HG1 VAL 26 -6.739 -16.207 -5.293 161 HG12 VAL 26 2HG1 VAL 26 -6.467 -15.666 -6.951 162 HG13 VAL 26 3HG1 VAL 26 -5.410 -15.105 -5.654 163 HG21 VAL 26 1HG2 VAL 26 -7.095 -14.725 -3.617 164 HG22 VAL 26 2HG2 VAL 26 -7.681 -13.082 -3.875 165 HG23 VAL 26 3HG2 VAL 26 -8.769 -14.451 -4.099 166 H GLY 27 H GLY 27 -4.275 -12.292 -6.724 167 HA2 GLY 27 1HA GLY 27 -2.975 -13.379 -8.469 168 HA3 GLY 27 2HA GLY 27 -4.460 -13.530 -9.398 169 H GLU 28 H GLU 28 -5.249 -10.751 -8.634 170 HA GLU 28 HA GLU 28 -4.026 -9.438 -10.861 171 HB2 GLU 28 1HB GLU 28 -6.082 -8.680 -8.820 172 HB3 GLU 28 2HB GLU 28 -5.368 -7.435 -9.836 173 HG2 GLU 28 1HG GLU 28 -6.691 -9.907 -10.919 174 HG3 GLU 28 2HG GLU 28 -7.531 -8.379 -10.656 175 H ALA 29 H ALA 29 -3.505 -6.932 -10.326 176 HA ALA 29 HA ALA 29 -1.533 -6.921 -8.137 177 HB1 ALA 29 1HB ALA 29 -0.887 -6.963 -10.812 178 HB2 ALA 29 2HB ALA 29 -0.790 -5.250 -10.400 179 HB3 ALA 29 3HB ALA 29 0.164 -6.429 -9.499 180 H GLY 30 H GLY 30 -1.997 -5.397 -6.700 181 HA2 GLY 30 1HA GLY 30 -3.903 -3.335 -7.227 182 HA3 GLY 30 2HA GLY 30 -2.965 -3.532 -5.754 183 H LEU 31 H LEU 31 -3.299 -1.828 -8.699 184 HA LEU 31 HA LEU 31 -0.692 -0.764 -8.936 185 HB2 LEU 31 1HB LEU 31 -3.333 0.386 -9.826 186 HB3 LEU 31 2HB LEU 31 -1.747 0.958 -10.341 187 HG LEU 31 HG LEU 31 -2.794 -1.816 -10.889 188 HD11 LEU 31 1HD1 LEU 31 -4.110 -0.895 -12.423 189 HD12 LEU 31 2HD1 LEU 31 -2.646 -0.406 -13.275 190 HD13 LEU 31 3HD1 LEU 31 -3.423 0.707 -12.150 191 HD21 LEU 31 1HD2 LEU 31 -0.475 -1.907 -11.036 192 HD22 LEU 31 2HD2 LEU 31 -0.354 -0.274 -11.693 193 HD23 LEU 31 3HD2 LEU 31 -0.974 -1.585 -12.697 194 H LEU 32 H LEU 32 0.328 0.726 -7.774 195 HA LEU 32 HA LEU 32 -1.225 2.716 -6.291 196 HB2 LEU 32 1HB LEU 32 1.041 1.175 -5.044 197 HB3 LEU 32 2HB LEU 32 0.007 2.372 -4.267 198 HG LEU 32 HG LEU 32 -0.897 -0.338 -5.243 199 HD11 LEU 32 1HD1 LEU 32 0.208 0.619 -2.679 200 HD12 LEU 32 2HD1 LEU 32 0.230 -0.990 -3.399 201 HD13 LEU 32 3HD1 LEU 32 -1.222 -0.410 -2.584 202 HD21 LEU 32 1HD2 LEU 32 -2.985 0.338 -4.906 203 HD22 LEU 32 2HD2 LEU 32 -2.370 1.982 -4.737 204 HD23 LEU 32 3HD2 LEU 32 -2.581 0.968 -3.309 205 H SER 33 H SER 33 -0.399 4.703 -6.452 206 HA SER 33 HA SER 33 2.393 4.973 -7.360 207 HB2 SER 33 1HB SER 33 -0.109 6.287 -8.332 208 HB3 SER 33 2HB SER 33 1.390 7.214 -8.362 209 HG SER 33 HG SER 33 2.215 5.875 -9.830 210 H VAL 34 H VAL 34 3.673 6.221 -6.156 211 HA VAL 34 HA VAL 34 2.415 7.886 -4.075 212 HB VAL 34 HB VAL 34 5.146 6.593 -4.054 213 HG11 VAL 34 1HG1 VAL 34 5.083 8.758 -2.886 214 HG12 VAL 34 2HG1 VAL 34 3.746 8.170 -1.896 215 HG13 VAL 34 3HG1 VAL 34 5.334 7.410 -1.778 216 HG21 VAL 34 1HG2 VAL 34 4.082 4.786 -3.314 217 HG22 VAL 34 2HG2 VAL 34 3.614 5.712 -1.888 218 HG23 VAL 34 3HG2 VAL 34 2.539 5.640 -3.285 219 H ASP 35 H ASP 35 2.415 9.947 -4.700 220 HA ASP 35 HA ASP 35 4.606 10.991 -6.317 221 HB2 ASP 35 1HB ASP 35 2.020 11.434 -6.612 222 HB3 ASP 35 2HB ASP 35 2.315 12.681 -5.404 223 H CYS 36 H CYS 36 6.357 11.546 -5.183 224 HA CYS 36 HA CYS 36 6.011 12.882 -2.594 225 HB2 CYS 36 1HB CYS 36 7.484 11.110 -2.265 226 HB3 CYS 36 2HB CYS 36 8.245 11.319 -3.838 227 HG CYS 36 HG CYS 36 9.440 12.205 -1.035 228 H SER 37 H SER 37 6.060 15.021 -2.614 229 HA SER 37 HA SER 37 7.729 16.373 -4.633 230 HB2 SER 37 1HB SER 37 5.042 17.004 -3.495 231 HB3 SER 37 2HB SER 37 6.091 18.350 -3.938 232 HG SER 37 HG SER 37 5.734 17.933 -5.965 233 H GLU 38 H GLU 38 6.369 16.945 -1.382 234 HA GLU 38 HA GLU 38 8.875 18.327 -0.685 235 HB2 GLU 38 1HB GLU 38 6.028 18.798 0.074 236 HB3 GLU 38 2HB GLU 38 7.279 19.196 1.244 237 HG2 GLU 38 1HG GLU 38 7.482 20.202 -1.558 238 HG3 GLU 38 2HG GLU 38 6.424 21.005 -0.400 239 H ALA 39 H ALA 39 7.633 15.410 -0.424 240 HA ALA 39 HA ALA 39 7.625 14.814 2.332 241 HB1 ALA 39 1HB ALA 39 6.764 12.975 1.428 242 HB2 ALA 39 2HB ALA 39 7.446 13.353 -0.154 243 HB3 ALA 39 3HB ALA 39 8.413 12.485 1.038 244 H GLY 40 H GLY 40 10.155 15.731 0.337 245 HA2 GLY 40 1HA GLY 40 12.425 15.836 0.665 246 HA3 GLY 40 2HA GLY 40 12.111 15.423 2.344 247 HA PRO 41 HA PRO 41 14.539 11.945 0.551 248 HB2 PRO 41 1HB PRO 41 16.061 11.578 2.769 249 HB3 PRO 41 2HB PRO 41 16.461 12.757 1.513 250 HG2 PRO 41 1HG PRO 41 15.114 13.183 4.153 251 HG3 PRO 41 2HG PRO 41 16.374 14.155 3.370 252 HD2 PRO 41 1HD PRO 41 13.758 14.855 3.329 253 HD3 PRO 41 2HD PRO 41 14.868 15.228 1.994 254 H GLY 42 H GLY 42 15.222 9.871 2.083 255 HA2 GLY 42 1HA GLY 42 14.381 8.422 3.837 256 HA3 GLY 42 2HA GLY 42 12.792 9.126 3.581 257 H ALA 43 H ALA 43 13.664 6.312 3.545 258 HA ALA 43 HA ALA 43 13.267 5.567 0.746 259 HB1 ALA 43 1HB ALA 43 13.752 3.261 1.556 260 HB2 ALA 43 2HB ALA 43 15.059 4.413 1.834 261 HB3 ALA 43 3HB ALA 43 14.008 3.933 3.167 262 H LEU 44 H LEU 44 11.469 4.571 -0.014 263 HA LEU 44 HA LEU 44 9.159 4.498 1.771 264 HB2 LEU 44 1HB LEU 44 8.636 5.657 -0.171 265 HB3 LEU 44 2HB LEU 44 9.525 4.533 -1.197 266 HG LEU 44 HG LEU 44 7.714 2.834 -0.642 267 HD11 LEU 44 1HD1 LEU 44 6.409 3.501 1.065 268 HD12 LEU 44 2HD1 LEU 44 5.521 4.341 -0.207 269 HD13 LEU 44 3HD1 LEU 44 6.705 5.214 0.766 270 HD21 LEU 44 1HD2 LEU 44 6.978 3.340 -2.674 271 HD22 LEU 44 2HD2 LEU 44 7.883 4.851 -2.584 272 HD23 LEU 44 3HD2 LEU 44 6.194 4.802 -2.076 273 H GLY 45 H GLY 45 7.854 2.678 2.043 274 HA2 GLY 45 1HA GLY 45 8.557 0.173 0.782 275 HA3 GLY 45 2HA GLY 45 8.963 0.254 2.490 276 H LEU 46 H LEU 46 6.981 -1.381 0.946 277 HA LEU 46 HA LEU 46 4.634 -0.707 2.589 278 HB2 LEU 46 1HB LEU 46 4.167 -0.129 0.279 279 HB3 LEU 46 2HB LEU 46 4.652 -1.741 -0.242 280 HG LEU 46 HG LEU 46 2.710 -2.562 1.251 281 HD11 LEU 46 1HD1 LEU 46 1.130 -0.236 0.736 282 HD12 LEU 46 2HD1 LEU 46 2.526 0.206 1.718 283 HD13 LEU 46 3HD1 LEU 46 1.430 -1.064 2.264 284 HD21 LEU 46 1HD2 LEU 46 1.554 -2.841 -0.653 285 HD22 LEU 46 2HD2 LEU 46 2.954 -2.082 -1.411 286 HD23 LEU 46 3HD2 LEU 46 1.532 -1.115 -1.014 287 H GLU 47 H GLU 47 3.310 -2.509 3.213 288 HA GLU 47 HA GLU 47 4.518 -5.156 2.891 289 HB2 GLU 47 1HB GLU 47 5.442 -4.385 4.976 290 HB3 GLU 47 2HB GLU 47 3.862 -3.854 5.535 291 HG2 GLU 47 1HG GLU 47 3.094 -6.121 5.695 292 HG3 GLU 47 2HG GLU 47 4.584 -6.718 4.966 293 H ALA 48 H ALA 48 2.973 -6.375 2.046 294 HA ALA 48 HA ALA 48 0.174 -5.839 2.725 295 HB1 ALA 48 1HB ALA 48 1.512 -7.274 0.462 296 HB2 ALA 48 2HB ALA 48 -0.196 -7.534 0.816 297 HB3 ALA 48 3HB ALA 48 0.384 -5.918 0.413 298 H VAL 49 H VAL 49 -0.846 -7.061 4.161 299 HA VAL 49 HA VAL 49 -0.101 -9.879 4.450 300 HB VAL 49 HB VAL 49 -0.255 -7.904 6.727 301 HG11 VAL 49 1HG1 VAL 49 -0.448 -10.889 6.703 302 HG12 VAL 49 2HG1 VAL 49 0.286 -10.055 8.074 303 HG13 VAL 49 3HG1 VAL 49 -1.385 -9.714 7.625 304 HG21 VAL 49 1HG2 VAL 49 2.010 -9.028 7.206 305 HG22 VAL 49 2HG2 VAL 49 1.920 -9.594 5.538 306 HG23 VAL 49 3HG2 VAL 49 1.920 -7.864 5.884 307 H SER 50 H SER 50 -1.841 -11.137 4.436 308 HA SER 50 HA SER 50 -4.473 -9.949 4.556 309 HB2 SER 50 1HB SER 50 -3.642 -11.844 2.969 310 HB3 SER 50 2HB SER 50 -3.969 -12.903 4.340 311 HG SER 50 HG SER 50 -6.048 -12.641 4.057 312 H ASP 51 H ASP 51 -6.199 -10.883 5.882 313 HA ASP 51 HA ASP 51 -5.755 -10.736 8.575 314 HB2 ASP 51 1HB ASP 51 -7.983 -10.829 7.311 315 HB3 ASP 51 2HB ASP 51 -7.846 -12.581 7.432 316 H SER 52 H SER 52 -5.359 -13.517 6.490 317 HA SER 52 HA SER 52 -4.867 -15.289 8.745 318 HB2 SER 52 1HB SER 52 -4.755 -15.829 5.767 319 HB3 SER 52 2HB SER 52 -4.628 -17.046 7.036 320 HG SER 52 HG SER 52 -6.755 -16.355 7.711 321 H GLY 53 H GLY 53 -3.082 -13.032 8.278 322 HA2 GLY 53 1HA GLY 53 -0.837 -12.552 8.183 323 HA3 GLY 53 2HA GLY 53 -0.630 -14.172 8.830 324 H THR 54 H THR 54 -1.951 -13.277 5.678 325 HA THR 54 HA THR 54 0.090 -14.951 4.418 326 HB THR 54 HB THR 54 -2.346 -13.721 3.121 327 HG1 THR 54 1HG THR 54 -3.443 -15.221 4.115 328 HG21 THR 54 1HG2 THR 54 -1.309 -14.450 1.271 329 HG22 THR 54 2HG2 THR 54 -1.715 -16.072 1.832 330 HG23 THR 54 3HG2 THR 54 -0.134 -15.382 2.197 331 H LYS 55 H LYS 55 1.898 -13.888 3.913 332 HA LYS 55 HA LYS 55 1.929 -11.089 3.293 333 HB2 LYS 55 1HB LYS 55 4.083 -13.203 3.129 334 HB3 LYS 55 2HB LYS 55 4.356 -11.488 2.851 335 HG2 LYS 55 1HG LYS 55 4.984 -11.667 5.038 336 HG3 LYS 55 2HG LYS 55 3.280 -11.248 5.228 337 HD2 LYS 55 1HD LYS 55 2.692 -13.528 5.632 338 HD3 LYS 55 2HD LYS 55 4.310 -14.081 5.193 339 HE2 LYS 55 1HE LYS 55 3.755 -12.237 7.508 340 HE3 LYS 55 2HE LYS 55 3.821 -13.992 7.662 341 HZ1 LYS 55 1HZ LYS 55 6.046 -14.010 7.474 342 HZ2 LYS 55 2HZ LYS 55 5.930 -12.399 7.975 343 HZ3 LYS 55 3HZ LYS 55 6.087 -12.763 6.330 344 H ALA 56 H ALA 56 1.494 -10.221 1.385 345 HA ALA 56 HA ALA 56 1.403 -11.902 -0.988 346 HB1 ALA 56 1HB ALA 56 0.010 -9.588 -0.083 347 HB2 ALA 56 2HB ALA 56 0.771 -9.223 -1.632 348 HB3 ALA 56 3HB ALA 56 -0.321 -10.600 -1.489 349 H GLU 57 H GLU 57 2.294 -11.052 -3.048 350 HA GLU 57 HA GLU 57 5.057 -10.339 -2.680 351 HB2 GLU 57 1HB GLU 57 4.691 -11.920 -4.383 352 HB3 GLU 57 2HB GLU 57 3.359 -11.002 -5.071 353 HG2 GLU 57 1HG GLU 57 4.734 -9.584 -6.208 354 HG3 GLU 57 2HG GLU 57 6.052 -9.756 -5.051 355 H VAL 58 H VAL 58 5.834 -8.346 -2.607 356 HA VAL 58 HA VAL 58 4.271 -6.178 -3.855 357 HB VAL 58 HB VAL 58 6.051 -6.047 -1.418 358 HG11 VAL 58 1HG1 VAL 58 6.390 -3.949 -2.202 359 HG12 VAL 58 2HG1 VAL 58 4.922 -3.958 -3.181 360 HG13 VAL 58 3HG1 VAL 58 4.822 -3.672 -1.443 361 HG21 VAL 58 1HG2 VAL 58 3.421 -6.844 -1.610 362 HG22 VAL 58 2HG2 VAL 58 4.218 -6.246 -0.155 363 HG23 VAL 58 3HG2 VAL 58 3.297 -5.140 -1.174 364 H SER 59 H SER 59 5.374 -4.560 -4.970 365 HA SER 59 HA SER 59 8.258 -4.818 -5.312 366 HB2 SER 59 1HB SER 59 7.513 -6.252 -7.074 367 HB3 SER 59 2HB SER 59 6.260 -5.110 -7.560 368 HG SER 59 HG SER 59 8.959 -5.135 -8.140 369 H ILE 60 H ILE 60 9.167 -2.874 -5.308 370 HA ILE 60 HA ILE 60 7.466 -0.538 -5.855 371 HB ILE 60 HB ILE 60 10.074 -0.605 -4.337 372 HG12 ILE 60 1HG1 ILE 60 7.328 -0.268 -3.144 373 HG13 ILE 60 2HG1 ILE 60 8.076 -1.853 -3.313 374 HG21 ILE 60 1HG2 ILE 60 9.099 1.528 -5.537 375 HG22 ILE 60 2HG2 ILE 60 8.066 1.576 -4.109 376 HG23 ILE 60 3HG2 ILE 60 9.819 1.631 -3.930 377 HD11 ILE 60 1HD1 ILE 60 9.659 -1.423 -1.717 378 HD12 ILE 60 2HD1 ILE 60 9.578 0.324 -1.950 379 HD13 ILE 60 3HD1 ILE 60 8.285 -0.512 -1.091 380 H GLN 61 H GLN 61 7.994 0.905 -7.406 381 HA GLN 61 HA GLN 61 10.544 0.510 -8.826 382 HB2 GLN 61 1HB GLN 61 8.467 -0.353 -10.029 383 HB3 GLN 61 2HB GLN 61 7.977 1.329 -10.177 384 HG2 GLN 61 1HG GLN 61 9.026 1.079 -12.168 385 HG3 GLN 61 2HG GLN 61 10.404 1.575 -11.187 386 HE21 GLN 61 1HE2 GLN 61 11.903 -0.001 -10.515 387 HE22 GLN 61 2HE2 GLN 61 12.054 -1.507 -11.349 388 H ASN 62 H ASN 62 11.752 2.233 -8.379 389 HA ASN 62 HA ASN 62 10.613 4.796 -7.768 390 HB2 ASN 62 1HB ASN 62 12.798 3.750 -6.847 391 HB3 ASN 62 2HB ASN 62 13.527 4.324 -8.343 392 HD21 ASN 62 1HD2 ASN 62 14.416 5.219 -5.925 393 HD22 ASN 62 2HD2 ASN 62 13.992 6.882 -5.725 394 H ASN 63 H ASN 63 11.145 6.779 -8.905 395 HA ASN 63 HA ASN 63 11.838 6.453 -11.731 396 HB2 ASN 63 1HB ASN 63 9.337 7.797 -10.694 397 HB3 ASN 63 2HB ASN 63 9.944 8.001 -12.334 398 HD21 ASN 63 1HD2 ASN 63 8.019 6.161 -10.300 399 HD22 ASN 63 2HD2 ASN 63 7.727 4.827 -11.359 400 H LYS 64 H LYS 64 12.454 8.452 -12.779 401 HA LYS 64 HA LYS 64 14.094 10.074 -11.135 402 HB2 LYS 64 1HB LYS 64 13.332 10.057 -14.023 403 HB3 LYS 64 2HB LYS 64 14.108 11.493 -13.368 404 HG2 LYS 64 1HG LYS 64 15.965 10.042 -12.565 405 HG3 LYS 64 2HG LYS 64 15.208 8.692 -13.414 406 HD2 LYS 64 1HD LYS 64 15.452 9.826 -15.529 407 HD3 LYS 64 2HD LYS 64 16.064 11.272 -14.723 408 HE2 LYS 64 1HE LYS 64 17.907 10.034 -15.668 409 HE3 LYS 64 2HE LYS 64 17.991 9.961 -13.908 410 HZ1 LYS 64 1HZ LYS 64 18.060 7.769 -14.092 411 HZ2 LYS 64 2HZ LYS 64 17.813 7.837 -15.764 412 HZ3 LYS 64 3HZ LYS 64 16.487 7.782 -14.714 413 H ASP 65 H ASP 65 10.804 10.141 -11.640 414 HA ASP 65 HA ASP 65 10.565 13.040 -11.331 415 HB2 ASP 65 1HB ASP 65 9.135 11.568 -12.937 416 HB3 ASP 65 2HB ASP 65 8.234 11.154 -11.481 417 H GLY 66 H GLY 66 11.514 11.092 -9.225 418 HA2 GLY 66 1HA GLY 66 11.319 10.867 -6.949 419 HA3 GLY 66 2HA GLY 66 10.355 12.336 -6.994 420 H THR 67 H THR 67 9.173 9.781 -8.920 421 HA THR 67 HA THR 67 7.047 9.300 -6.948 422 HB THR 67 HB THR 67 5.807 8.348 -8.968 423 HG1 THR 67 1HG THR 67 6.599 8.980 -10.988 424 HG21 THR 67 1HG2 THR 67 4.810 10.366 -9.292 425 HG22 THR 67 2HG2 THR 67 6.342 11.204 -9.542 426 HG23 THR 67 3HG2 THR 67 5.808 10.809 -7.908 427 H TYR 68 H TYR 68 6.164 7.130 -6.783 428 HA TYR 68 HA TYR 68 8.049 5.006 -7.536 429 HB2 TYR 68 1HB TYR 68 6.750 5.321 -4.822 430 HB3 TYR 68 2HB TYR 68 7.739 3.955 -5.328 431 HD1 TYR 68 2HD TYR 68 7.787 7.549 -4.501 432 HD2 TYR 68 1HD TYR 68 10.123 4.093 -5.339 433 HE1 TYR 68 2HE TYR 68 9.801 8.730 -3.727 434 HE2 TYR 68 1HE TYR 68 12.144 5.264 -4.567 435 HH TYR 68 HH TYR 68 12.959 7.514 -4.247 436 H ALA 69 H ALA 69 7.139 3.144 -8.234 437 HA ALA 69 HA ALA 69 4.203 3.076 -8.349 438 HB1 ALA 69 1HB ALA 69 4.334 1.945 -10.358 439 HB2 ALA 69 2HB ALA 69 5.729 3.021 -10.452 440 HB3 ALA 69 3HB ALA 69 5.951 1.325 -10.025 441 H VAL 70 H VAL 70 3.648 2.075 -6.454 442 HA VAL 70 HA VAL 70 4.949 -0.429 -5.719 443 HB VAL 70 HB VAL 70 2.904 1.291 -4.326 444 HG11 VAL 70 1HG1 VAL 70 3.927 -1.433 -3.541 445 HG12 VAL 70 2HG1 VAL 70 3.106 -0.330 -2.435 446 HG13 VAL 70 3HG1 VAL 70 2.256 -0.960 -3.847 447 HG21 VAL 70 1HG2 VAL 70 5.812 0.770 -4.059 448 HG22 VAL 70 2HG2 VAL 70 4.904 2.265 -3.836 449 HG23 VAL 70 3HG2 VAL 70 4.891 1.029 -2.578 450 H THR 71 H THR 71 3.945 -2.409 -5.663 451 HA THR 71 HA THR 71 1.160 -2.610 -6.515 452 HB THR 71 HB THR 71 3.097 -4.421 -7.890 453 HG1 THR 71 1HG THR 71 2.916 -2.693 -9.641 454 HG21 THR 71 1HG2 THR 71 0.775 -4.917 -8.176 455 HG22 THR 71 2HG2 THR 71 1.352 -4.211 -9.685 456 HG23 THR 71 3HG2 THR 71 0.405 -3.237 -8.560 457 H TYR 72 H TYR 72 0.164 -4.591 -5.988 458 HA TYR 72 HA TYR 72 1.737 -6.528 -4.468 459 HB2 TYR 72 1HB TYR 72 0.461 -6.405 -2.511 460 HB3 TYR 72 2HB TYR 72 0.693 -4.716 -2.951 461 HD1 TYR 72 2HD TYR 72 -1.741 -7.517 -3.291 462 HD2 TYR 72 1HD TYR 72 -1.150 -3.306 -3.149 463 HE1 TYR 72 2HE TYR 72 -4.177 -7.182 -3.263 464 HE2 TYR 72 1HE TYR 72 -3.585 -2.959 -3.120 465 HH TYR 72 HH TYR 72 -5.596 -4.062 -2.679 466 H VAL 73 H VAL 73 1.154 -8.559 -4.903 467 HA VAL 73 HA VAL 73 -1.396 -8.985 -6.317 468 HB VAL 73 HB VAL 73 1.163 -10.583 -6.474 469 HG11 VAL 73 1HG1 VAL 73 -0.352 -11.515 -8.495 470 HG12 VAL 73 2HG1 VAL 73 -0.278 -12.268 -6.901 471 HG13 VAL 73 3HG1 VAL 73 -1.604 -11.176 -7.300 472 HG21 VAL 73 1HG2 VAL 73 0.934 -8.307 -7.662 473 HG22 VAL 73 2HG2 VAL 73 1.493 -9.692 -8.600 474 HG23 VAL 73 3HG2 VAL 73 -0.180 -9.151 -8.737 475 HA PRO 74 HA PRO 74 -2.293 -11.161 -2.460 476 HB2 PRO 74 1HB PRO 74 -4.963 -11.321 -2.924 477 HB3 PRO 74 2HB PRO 74 -4.184 -9.866 -2.291 478 HG2 PRO 74 1HG PRO 74 -5.026 -10.497 -5.093 479 HG3 PRO 74 2HG PRO 74 -5.209 -8.986 -4.184 480 HD2 PRO 74 1HD PRO 74 -3.248 -9.357 -6.014 481 HD3 PRO 74 2HD PRO 74 -3.031 -8.340 -4.575 482 H LEU 75 H LEU 75 -2.165 -13.296 -2.183 483 HA LEU 75 HA LEU 75 -2.576 -15.059 -4.454 484 HB2 LEU 75 1HB LEU 75 -1.494 -15.505 -1.681 485 HB3 LEU 75 2HB LEU 75 -1.703 -16.800 -2.858 486 HG LEU 75 HG LEU 75 0.062 -14.394 -3.293 487 HD11 LEU 75 1HD1 LEU 75 0.750 -17.157 -2.309 488 HD12 LEU 75 2HD1 LEU 75 0.952 -15.636 -1.441 489 HD13 LEU 75 3HD1 LEU 75 1.927 -15.971 -2.871 490 HD21 LEU 75 1HD2 LEU 75 0.606 -16.859 -4.744 491 HD22 LEU 75 2HD2 LEU 75 0.474 -15.202 -5.333 492 HD23 LEU 75 3HD2 LEU 75 -0.980 -16.177 -5.109 493 H THR 76 H THR 76 -3.975 -14.420 -1.292 494 HA THR 76 HA THR 76 -6.164 -16.281 -1.957 495 HB THR 76 HB THR 76 -4.986 -17.201 -0.077 496 HG1 THR 76 1HG THR 76 -7.459 -16.780 -0.053 497 HG21 THR 76 1HG2 THR 76 -5.013 -14.381 0.880 498 HG22 THR 76 2HG2 THR 76 -3.725 -15.584 0.947 499 HG23 THR 76 3HG2 THR 76 -5.071 -15.670 2.082 500 H ALA 77 H ALA 77 -8.243 -15.578 -1.688 501 HA ALA 77 HA ALA 77 -8.690 -12.767 -1.697 502 HB1 ALA 77 1HB ALA 77 -11.171 -13.799 -1.372 503 HB2 ALA 77 2HB ALA 77 -10.341 -13.675 -2.924 504 HB3 ALA 77 3HB ALA 77 -10.314 -15.194 -2.027 505 H GLY 78 H GLY 78 -10.086 -11.590 -0.223 506 HA2 GLY 78 1HA GLY 78 -11.273 -11.924 2.025 507 HA3 GLY 78 2HA GLY 78 -9.701 -12.506 2.551 508 H MET 79 H MET 79 -10.168 -10.701 4.141 509 HA MET 79 HA MET 79 -9.846 -8.009 3.179 510 HB2 MET 79 1HB MET 79 -9.853 -9.164 5.970 511 HB3 MET 79 2HB MET 79 -9.749 -7.445 5.616 512 HG2 MET 79 1HG MET 79 -12.020 -9.190 4.708 513 HG3 MET 79 2HG MET 79 -12.024 -8.290 6.223 514 HE1 MET 79 1HE MET 79 -11.018 -5.981 6.193 515 HE2 MET 79 2HE MET 79 -10.779 -5.008 4.742 516 HE3 MET 79 3HE MET 79 -12.280 -4.870 5.659 517 H TYR 80 H TYR 80 -8.004 -6.942 2.866 518 HA TYR 80 HA TYR 80 -5.514 -8.162 3.859 519 HB2 TYR 80 1HB TYR 80 -6.221 -6.761 1.328 520 HB3 TYR 80 2HB TYR 80 -4.592 -6.535 1.955 521 HD1 TYR 80 1HD TYR 80 -3.023 -8.395 2.046 522 HD2 TYR 80 2HD TYR 80 -6.953 -8.922 0.502 523 HE1 TYR 80 1HE TYR 80 -2.340 -10.540 1.055 524 HE2 TYR 80 2HE TYR 80 -6.281 -11.069 -0.492 525 HH TYR 80 HH TYR 80 -4.563 -12.426 -0.954 526 H THR 81 H THR 81 -3.827 -6.766 4.585 527 HA THR 81 HA THR 81 -4.782 -4.129 5.496 528 HB THR 81 HB THR 81 -2.861 -5.941 6.971 529 HG1 THR 81 1HG THR 81 -5.487 -5.252 7.792 530 HG21 THR 81 1HG2 THR 81 -4.190 -3.754 8.398 531 HG22 THR 81 2HG2 THR 81 -3.084 -3.218 7.134 532 HG23 THR 81 3HG2 THR 81 -2.504 -4.266 8.427 533 H LEU 82 H LEU 82 -3.836 -2.845 3.976 534 HA LEU 82 HA LEU 82 -1.132 -3.234 3.101 535 HB2 LEU 82 1HB LEU 82 -2.707 -0.710 2.736 536 HB3 LEU 82 2HB LEU 82 -1.464 -1.397 1.692 537 HG LEU 82 HG LEU 82 -4.106 -2.768 2.076 538 HD11 LEU 82 1HD1 LEU 82 -5.022 -0.876 1.239 539 HD12 LEU 82 2HD1 LEU 82 -4.451 -1.562 -0.282 540 HD13 LEU 82 3HD1 LEU 82 -3.504 -0.318 0.534 541 HD21 LEU 82 1HD2 LEU 82 -2.685 -4.215 0.989 542 HD22 LEU 82 2HD2 LEU 82 -1.817 -2.919 0.166 543 HD23 LEU 82 3HD2 LEU 82 -3.434 -3.379 -0.371 544 H THR 83 H THR 83 0.651 -2.562 4.080 545 HA THR 83 HA THR 83 0.442 -0.356 6.025 546 HB THR 83 HB THR 83 2.394 -2.659 6.177 547 HG1 THR 83 1HG THR 83 -0.061 -2.943 6.605 548 HG21 THR 83 1HG2 THR 83 3.044 -1.804 8.265 549 HG22 THR 83 2HG2 THR 83 1.642 -0.738 8.363 550 HG23 THR 83 3HG2 THR 83 2.942 -0.384 7.225 551 H MET 84 H MET 84 1.414 1.401 5.269 552 HA MET 84 HA MET 84 3.881 1.070 3.691 553 HB2 MET 84 1HB MET 84 1.953 1.987 2.409 554 HB3 MET 84 2HB MET 84 1.901 3.347 3.523 555 HG2 MET 84 1HG MET 84 3.131 4.289 1.878 556 HG3 MET 84 2HG MET 84 4.437 3.556 2.805 557 HE1 MET 84 1HE MET 84 2.682 2.252 -1.180 558 HE2 MET 84 2HE MET 84 2.003 3.351 0.021 559 HE3 MET 84 3HE MET 84 3.352 3.873 -0.989 560 H LYS 85 H LYS 85 5.623 2.400 4.137 561 HA LYS 85 HA LYS 85 5.383 4.360 6.283 562 HB2 LYS 85 1HB LYS 85 6.862 1.786 6.467 563 HB3 LYS 85 2HB LYS 85 7.638 3.211 7.146 564 HG2 LYS 85 1HG LYS 85 5.289 3.529 8.291 565 HG3 LYS 85 2HG LYS 85 5.177 1.789 8.014 566 HD2 LYS 85 1HD LYS 85 7.677 2.868 9.215 567 HD3 LYS 85 2HD LYS 85 6.234 2.780 10.229 568 HE2 LYS 85 1HE LYS 85 6.151 0.481 10.141 569 HE3 LYS 85 2HE LYS 85 7.021 0.402 8.610 570 HZ1 LYS 85 1HZ LYS 85 8.426 1.412 10.978 571 HZ2 LYS 85 2HZ LYS 85 9.037 0.579 9.639 572 HZ3 LYS 85 3HZ LYS 85 8.180 -0.255 10.835 573 H TYR 86 H TYR 86 6.484 6.132 5.773 574 HA TYR 86 HA TYR 86 8.568 5.932 3.708 575 HB2 TYR 86 1HB TYR 86 6.469 7.396 3.387 576 HB3 TYR 86 2HB TYR 86 7.214 8.484 4.553 577 HD1 TYR 86 2HD TYR 86 7.600 6.957 1.212 578 HD2 TYR 86 1HD TYR 86 9.016 9.909 3.930 579 HE1 TYR 86 2HE TYR 86 8.915 7.983 -0.596 580 HE2 TYR 86 1HE TYR 86 10.333 10.944 2.129 581 HH TYR 86 HH TYR 86 10.622 9.446 -1.029 582 H GLY 87 H GLY 87 10.562 5.920 4.502 583 HA2 GLY 87 1HA GLY 87 12.430 6.583 5.667 584 HA3 GLY 87 2HA GLY 87 11.553 8.042 6.103 585 H GLY 88 H GLY 88 9.959 5.146 6.931 586 HA2 GLY 88 1HA GLY 88 10.154 3.855 8.931 587 HA3 GLY 88 2HA GLY 88 11.114 5.149 9.633 588 H GLU 89 H GLU 89 8.684 6.704 8.133 589 HA GLU 89 HA GLU 89 7.012 6.680 10.559 590 HB2 GLU 89 1HB GLU 89 7.353 8.923 8.561 591 HB3 GLU 89 2HB GLU 89 6.421 8.986 10.051 592 HG2 GLU 89 1HG GLU 89 8.755 8.327 11.106 593 HG3 GLU 89 2HG GLU 89 9.353 9.097 9.637 594 H LEU 90 H LEU 90 4.919 6.167 10.384 595 HA LEU 90 HA LEU 90 3.883 5.036 8.031 596 HB2 LEU 90 1HB LEU 90 2.816 5.759 10.698 597 HB3 LEU 90 2HB LEU 90 1.643 5.502 9.408 598 HG LEU 90 HG LEU 90 3.690 3.489 10.338 599 HD11 LEU 90 1HD1 LEU 90 1.768 4.067 11.907 600 HD12 LEU 90 2HD1 LEU 90 1.968 2.372 11.466 601 HD13 LEU 90 3HD1 LEU 90 0.714 3.341 10.694 602 HD21 LEU 90 1HD2 LEU 90 3.327 2.577 8.335 603 HD22 LEU 90 2HD2 LEU 90 1.979 3.662 7.992 604 HD23 LEU 90 3HD2 LEU 90 1.711 2.191 8.928 605 H VAL 91 H VAL 91 2.351 5.756 6.557 606 HA VAL 91 HA VAL 91 2.250 8.656 6.236 607 HB VAL 91 HB VAL 91 1.020 7.821 4.029 608 HG11 VAL 91 1HG1 VAL 91 3.109 9.115 4.160 609 HG12 VAL 91 2HG1 VAL 91 4.004 7.617 4.422 610 HG13 VAL 91 3HG1 VAL 91 3.163 7.888 2.896 611 HG21 VAL 91 1HG2 VAL 91 1.605 5.695 3.284 612 HG22 VAL 91 2HG2 VAL 91 2.884 5.518 4.485 613 HG23 VAL 91 3HG2 VAL 91 1.193 5.429 4.978 614 HA PRO 92 HA PRO 92 -1.964 9.169 7.346 615 HB2 PRO 92 1HB PRO 92 -2.839 10.953 5.496 616 HB3 PRO 92 2HB PRO 92 -1.736 11.391 6.806 617 HG2 PRO 92 1HG PRO 92 -1.124 10.766 3.943 618 HG3 PRO 92 2HG PRO 92 -0.471 12.055 4.971 619 HD2 PRO 92 1HD PRO 92 0.887 9.767 4.463 620 HD3 PRO 92 2HD PRO 92 1.033 10.643 6.000 621 H HIS 93 H HIS 93 -1.106 7.461 4.674 622 HA HIS 93 HA HIS 93 -3.905 6.939 3.911 623 HB2 HIS 93 1HB HIS 93 -1.459 6.388 2.225 624 HB3 HIS 93 2HB HIS 93 -3.145 6.301 1.722 625 HD1 HIS 93 1HD HIS 93 -4.054 8.335 0.631 626 HD2 HIS 93 2HD HIS 93 -0.652 9.156 2.870 627 HE1 HIS 93 1HE HIS 93 -3.523 10.752 0.185 628 HE2 HIS 93 2HE HIS 93 -1.412 11.203 1.483 629 H PHE 94 H PHE 94 -1.590 5.751 5.807 630 HA PHE 94 HA PHE 94 -2.589 3.026 5.545 631 HB2 PHE 94 1HB PHE 94 0.364 3.684 5.561 632 HB3 PHE 94 2HB PHE 94 -0.321 2.065 5.659 633 HD1 PHE 94 2HD PHE 94 -0.285 5.079 3.479 634 HD2 PHE 94 1HD PHE 94 -0.660 0.847 3.728 635 HE1 PHE 94 2HE PHE 94 -0.294 4.939 1.023 636 HE2 PHE 94 1HE PHE 94 -0.669 0.700 1.272 637 HZ PHE 94 HZ PHE 94 -0.487 2.748 -0.084 638 HA PRO 95 HA PRO 95 -1.789 1.028 6.504 639 HB2 PRO 95 1HB PRO 95 -3.418 -0.412 8.130 640 HB3 PRO 95 2HB PRO 95 -1.669 -0.313 8.366 641 HG2 PRO 95 1HG PRO 95 -3.855 1.191 9.751 642 HG3 PRO 95 2HG PRO 95 -2.401 0.445 10.439 643 HD2 PRO 95 1HD PRO 95 -2.582 3.102 9.949 644 HD3 PRO 95 2HD PRO 95 -1.052 2.210 9.826 645 H ALA 96 H ALA 96 -3.441 0.165 5.208 646 HA ALA 96 HA ALA 96 -6.096 1.395 5.458 647 HB1 ALA 96 1HB ALA 96 -4.220 2.143 3.528 648 HB2 ALA 96 2HB ALA 96 -5.380 1.115 2.686 649 HB3 ALA 96 3HB ALA 96 -5.938 2.540 3.562 650 H ARG 97 H ARG 97 -7.498 -0.214 5.673 651 HA ARG 97 HA ARG 97 -6.914 -2.884 4.826 652 HB2 ARG 97 1HB ARG 97 -9.097 -3.447 5.733 653 HB3 ARG 97 2HB ARG 97 -8.234 -2.400 6.852 654 HG2 ARG 97 1HG ARG 97 -10.265 -1.399 6.916 655 HG3 ARG 97 2HG ARG 97 -9.572 -0.524 5.550 656 HD2 ARG 97 1HD ARG 97 -10.759 -1.820 3.984 657 HD3 ARG 97 2HD ARG 97 -11.166 -3.044 5.186 658 HE ARG 97 HE ARG 97 -12.971 -1.782 5.798 659 HH11 ARG 97 1HH1 ARG 97 -10.759 0.210 3.992 660 HH12 ARG 97 2HH1 ARG 97 -11.837 1.565 3.917 661 HH21 ARG 97 1HH2 ARG 97 -14.399 -0.006 5.705 662 HH22 ARG 97 2HH2 ARG 97 -13.906 1.441 4.892 663 H VAL 98 H VAL 98 -7.835 -4.073 3.179 664 HA VAL 98 HA VAL 98 -9.777 -2.846 1.407 665 HB VAL 98 HB VAL 98 -7.074 -3.674 0.339 666 HG11 VAL 98 1HG1 VAL 98 -9.667 -2.982 -0.909 667 HG12 VAL 98 2HG1 VAL 98 -8.212 -2.338 -1.673 668 HG13 VAL 98 3HG1 VAL 98 -8.400 -4.079 -1.457 669 HG21 VAL 98 1HG2 VAL 98 -8.288 -0.931 0.663 670 HG22 VAL 98 2HG2 VAL 98 -6.895 -1.573 1.534 671 HG23 VAL 98 3HG2 VAL 98 -6.793 -1.284 -0.203 672 H LYS 99 H LYS 99 -11.164 -4.351 0.761 673 HA LYS 99 HA LYS 99 -10.634 -7.134 1.288 674 HB2 LYS 99 1HB LYS 99 -12.844 -6.237 1.752 675 HB3 LYS 99 2HB LYS 99 -13.028 -5.741 0.075 676 HG2 LYS 99 1HG LYS 99 -14.234 -7.675 0.066 677 HG3 LYS 99 2HG LYS 99 -12.645 -8.299 -0.386 678 HD2 LYS 99 1HD LYS 99 -13.407 -9.761 1.283 679 HD3 LYS 99 2HD LYS 99 -12.281 -8.685 2.114 680 HE2 LYS 99 1HE LYS 99 -14.037 -8.659 3.583 681 HE3 LYS 99 2HE LYS 99 -14.460 -7.286 2.562 682 HZ1 LYS 99 1HZ LYS 99 -16.266 -8.322 1.796 683 HZ2 LYS 99 2HZ LYS 99 -16.089 -9.361 3.119 684 HZ3 LYS 99 3HZ LYS 99 -15.475 -9.806 1.607 685 H VAL 100 H VAL 100 -10.405 -8.781 -0.185 686 HA VAL 100 HA VAL 100 -10.039 -7.965 -2.995 687 HB VAL 100 HB VAL 100 -8.467 -9.961 -1.371 688 HG11 VAL 100 1HG1 VAL 100 -9.041 -10.895 -3.588 689 HG12 VAL 100 2HG1 VAL 100 -8.287 -9.490 -4.345 690 HG13 VAL 100 3HG1 VAL 100 -7.313 -10.607 -3.388 691 HG21 VAL 100 1HG2 VAL 100 -7.686 -7.482 -2.901 692 HG22 VAL 100 2HG2 VAL 100 -7.713 -7.675 -1.148 693 HG23 VAL 100 3HG2 VAL 100 -6.554 -8.585 -2.117 694 H GLU 101 H GLU 101 -11.268 -8.975 -4.442 695 HA GLU 101 HA GLU 101 -13.030 -11.098 -3.584 696 HB2 GLU 101 1HB GLU 101 -12.777 -9.397 -6.029 697 HB3 GLU 101 2HB GLU 101 -13.689 -10.897 -6.127 698 HG2 GLU 101 1HG GLU 101 -14.895 -9.977 -4.011 699 HG3 GLU 101 2HG GLU 101 -14.272 -8.425 -4.568 700 HA PRO 102 HA PRO 102 -10.738 -14.526 -5.094 701 HB2 PRO 102 1HB PRO 102 -12.755 -16.206 -5.790 702 HB3 PRO 102 2HB PRO 102 -12.331 -15.857 -4.109 703 HG2 PRO 102 1HG PRO 102 -14.523 -14.702 -5.788 704 HG3 PRO 102 2HG PRO 102 -14.572 -15.238 -4.099 705 HD2 PRO 102 1HD PRO 102 -14.359 -12.630 -4.794 706 HD3 PRO 102 2HD PRO 102 -13.619 -13.289 -3.321 707 H ALA 103 H ALA 103 -10.208 -15.729 -6.994 708 HA ALA 103 HA ALA 103 -10.724 -14.255 -9.433 709 HB1 ALA 103 1HB ALA 103 -8.603 -14.842 -9.750 710 HB2 ALA 103 2HB ALA 103 -8.671 -16.041 -8.458 711 HB3 ALA 103 3HB ALA 103 -9.188 -16.472 -10.089 712 H VAL 104 H VAL 104 -12.878 -15.846 -8.159 713 HA VAL 104 HA VAL 104 -13.537 -18.237 -9.187 714 HB VAL 104 HB VAL 104 -15.921 -17.375 -9.431 715 HG11 VAL 104 1HG1 VAL 104 -14.630 -18.231 -7.303 716 HG12 VAL 104 2HG1 VAL 104 -14.861 -16.565 -6.769 717 HG13 VAL 104 3HG1 VAL 104 -16.257 -17.565 -7.174 718 HG21 VAL 104 1HG2 VAL 104 -16.273 -15.188 -9.569 719 HG22 VAL 104 2HG2 VAL 104 -15.562 -14.970 -7.970 720 HG23 VAL 104 3HG2 VAL 104 -14.542 -14.890 -9.406 721 H ASP 105 H ASP 105 -13.642 -19.146 -11.126 722 HA ASP 105 HA ASP 105 -14.623 -17.706 -13.422 723 HB2 ASP 105 1HB ASP 105 -11.724 -18.378 -13.104 724 HB3 ASP 105 2HB ASP 105 -12.454 -18.468 -14.705 725 H THR 106 H THR 106 -14.376 -19.202 -15.444 726 HA THR 106 HA THR 106 -15.466 -21.775 -14.658 727 HB THR 106 HB THR 106 -16.609 -20.532 -16.420 728 HG1 THR 106 1HG THR 106 -15.418 -23.017 -16.972 729 HG21 THR 106 1HG2 THR 106 -15.527 -19.471 -18.055 730 HG22 THR 106 2HG2 THR 106 -14.769 -20.973 -18.584 731 HG23 THR 106 3HG2 THR 106 -14.007 -19.994 -17.331 732 H SER 107 H SER 107 -14.108 -23.393 -14.263 733 HA SER 107 HA SER 107 -11.710 -23.657 -15.957 734 HB2 SER 107 1HB SER 107 -11.239 -23.229 -13.550 735 HB3 SER 107 2HB SER 107 -12.106 -24.711 -13.146 736 HG SER 107 HG SER 107 -10.462 -25.555 -14.866 737 H SER 108 H SER 108 -12.847 -24.849 -17.543 738 HA SER 108 HA SER 108 -13.919 -27.447 -16.718 739 HB2 SER 108 1HB SER 108 -15.391 -26.212 -18.168 740 HB3 SER 108 2HB SER 108 -14.093 -25.927 -19.327 741 HG SER 108 HG SER 108 -14.677 -28.574 -18.693 742 H GLY 109 H GLY 109 -12.642 -29.165 -16.791 743 HA2 GLY 109 1HA GLY 109 -10.268 -29.088 -18.524 744 HA3 GLY 109 2HA GLY 109 -10.476 -30.125 -17.120 745 HA PRO 110 HA PRO 110 -11.182 -32.764 -20.825 746 HB2 PRO 110 1HB PRO 110 -9.911 -34.929 -19.791 747 HB3 PRO 110 2HB PRO 110 -9.062 -33.630 -20.638 748 HG2 PRO 110 1HG PRO 110 -9.367 -34.090 -17.696 749 HG3 PRO 110 2HG PRO 110 -7.928 -33.599 -18.608 750 HD2 PRO 110 1HD PRO 110 -9.450 -31.835 -17.228 751 HD3 PRO 110 2HD PRO 110 -8.598 -31.396 -18.722 752 H SER 111 H SER 111 -12.154 -35.010 -20.882 753 HA SER 111 HA SER 111 -14.331 -35.107 -18.959 754 HB2 SER 111 1HB SER 111 -14.459 -35.417 -21.568 755 HB3 SER 111 2HB SER 111 -14.024 -37.084 -21.191 756 HG SER 111 HG SER 111 -16.181 -37.107 -21.066 757 H SER 112 H SER 112 -11.847 -37.324 -20.219 758 HA SER 112 HA SER 112 -12.397 -39.520 -18.621 759 HB2 SER 112 1HB SER 112 -9.792 -38.514 -19.770 760 HB3 SER 112 2HB SER 112 -9.922 -40.051 -18.915 761 HG SER 112 HG SER 112 -10.165 -40.211 -21.226 762 H GLY 113 H GLY 113 -10.109 -36.863 -17.975 763 HA2 GLY 113 1HA GLY 113 -9.795 -37.807 -15.226 764 HA3 GLY 113 2HA GLY 113 -8.854 -36.543 -16.004 Start of MODEL 13 1 H1 GLY 1 H GLY 1 21.606 26.795 -10.360 2 HA2 GLY 1 1HA GLY 1 20.292 27.903 -8.584 3 HA3 GLY 1 2HA GLY 1 21.123 26.490 -7.952 4 H SER 2 H SER 2 20.370 29.494 -7.152 5 HA SER 2 HA SER 2 22.964 30.193 -5.982 6 HB2 SER 2 1HB SER 2 20.401 31.786 -6.217 7 HB3 SER 2 2HB SER 2 21.880 32.374 -5.459 8 HG SER 2 HG SER 2 21.271 32.587 -7.958 9 H SER 3 H SER 3 19.543 30.120 -4.968 10 HA SER 3 HA SER 3 20.265 30.040 -2.185 11 HB2 SER 3 1HB SER 3 17.914 30.063 -1.740 12 HB3 SER 3 2HB SER 3 18.181 31.140 -3.110 13 HG SER 3 HG SER 3 16.962 28.623 -3.027 14 H GLY 4 H GLY 4 20.173 28.326 -0.783 15 HA2 GLY 4 1HA GLY 4 20.535 25.722 -1.920 16 HA3 GLY 4 2HA GLY 4 20.531 26.120 -0.208 17 H SER 5 H SER 5 18.947 24.439 -2.565 18 HA SER 5 HA SER 5 16.244 24.789 -2.104 19 HB2 SER 5 1HB SER 5 17.535 23.203 -3.752 20 HB3 SER 5 2HB SER 5 17.331 22.018 -2.462 21 HG SER 5 HG SER 5 15.520 21.774 -3.603 22 H SER 6 H SER 6 15.062 24.640 -0.328 23 HA SER 6 HA SER 6 16.053 23.013 1.906 24 HB2 SER 6 1HB SER 6 15.546 25.503 2.195 25 HB3 SER 6 2HB SER 6 13.845 25.066 2.044 26 HG SER 6 HG SER 6 15.245 25.028 4.220 27 H GLY 7 H GLY 7 14.274 22.046 3.303 28 HA2 GLY 7 1HA GLY 7 11.765 21.423 2.886 29 HA3 GLY 7 2HA GLY 7 12.473 20.569 1.523 30 HA PRO 8 HA PRO 8 13.758 18.484 5.745 31 HB2 PRO 8 1HB PRO 8 11.785 18.637 7.603 32 HB3 PRO 8 2HB PRO 8 13.101 19.813 7.500 33 HG2 PRO 8 1HG PRO 8 10.297 20.011 6.470 34 HG3 PRO 8 2HG PRO 8 11.270 21.234 7.309 35 HD2 PRO 8 1HD PRO 8 10.932 21.232 4.622 36 HD3 PRO 8 2HD PRO 8 12.421 21.810 5.397 37 H PHE 9 H PHE 9 13.026 16.415 6.587 38 HA PHE 9 HA PHE 9 11.495 14.962 4.701 39 HB2 PHE 9 1HB PHE 9 13.052 13.605 5.716 40 HB3 PHE 9 2HB PHE 9 12.823 14.344 7.298 41 HD1 PHE 9 1HD PHE 9 11.491 11.896 4.904 42 HD2 PHE 9 2HD PHE 9 11.196 13.514 8.830 43 HE1 PHE 9 1HE PHE 9 10.051 10.014 5.568 44 HE2 PHE 9 2HE PHE 9 9.757 11.635 9.500 45 HZ PHE 9 HZ PHE 9 9.184 9.881 7.869 46 H ASP 10 H ASP 10 9.425 14.223 4.741 47 HA ASP 10 HA ASP 10 7.767 14.403 7.073 48 HB2 ASP 10 1HB ASP 10 7.929 16.777 5.934 49 HB3 ASP 10 2HB ASP 10 6.770 16.080 4.806 50 HA PRO 11 HA PRO 11 6.274 11.019 4.539 51 HB2 PRO 11 1HB PRO 11 4.756 9.909 6.497 52 HB3 PRO 11 2HB PRO 11 6.508 9.698 6.404 53 HG2 PRO 11 1HG PRO 11 4.914 11.581 8.099 54 HG3 PRO 11 2HG PRO 11 6.320 10.595 8.541 55 HD2 PRO 11 1HD PRO 11 6.512 13.237 7.977 56 HD3 PRO 11 2HD PRO 11 7.814 12.086 7.615 57 H SER 12 H SER 12 4.410 13.358 6.348 58 HA SER 12 HA SER 12 1.840 12.621 5.436 59 HB2 SER 12 1HB SER 12 2.573 14.258 7.349 60 HB3 SER 12 2HB SER 12 2.532 15.470 6.069 61 HG SER 12 HG SER 12 0.487 15.526 6.612 62 H LYS 13 H LYS 13 4.385 14.586 4.069 63 HA LYS 13 HA LYS 13 2.846 15.872 2.072 64 HB2 LYS 13 1HB LYS 13 5.794 15.197 2.036 65 HB3 LYS 13 2HB LYS 13 4.991 16.382 1.015 66 HG2 LYS 13 1HG LYS 13 4.879 16.622 3.993 67 HG3 LYS 13 2HG LYS 13 6.291 17.182 3.092 68 HD2 LYS 13 1HD LYS 13 5.138 18.882 2.076 69 HD3 LYS 13 2HD LYS 13 3.594 18.031 2.163 70 HE2 LYS 13 1HE LYS 13 3.278 18.600 4.410 71 HE3 LYS 13 2HE LYS 13 4.977 19.010 4.638 72 HZ1 LYS 13 1HZ LYS 13 4.721 21.031 3.606 73 HZ2 LYS 13 2HZ LYS 13 3.229 20.881 4.388 74 HZ3 LYS 13 3HZ LYS 13 3.352 20.554 2.733 75 H VAL 14 H VAL 14 3.820 12.654 2.435 76 HA VAL 14 HA VAL 14 3.986 12.014 -0.373 77 HB VAL 14 HB VAL 14 3.773 10.180 2.019 78 HG11 VAL 14 1HG1 VAL 14 3.101 9.330 -0.321 79 HG12 VAL 14 2HG1 VAL 14 4.827 9.419 -0.680 80 HG13 VAL 14 3HG1 VAL 14 4.248 8.381 0.624 81 HG21 VAL 14 1HG2 VAL 14 6.204 9.865 1.674 82 HG22 VAL 14 2HG2 VAL 14 6.169 11.141 0.456 83 HG23 VAL 14 3HG2 VAL 14 5.782 11.514 2.136 84 H VAL 15 H VAL 15 2.394 11.340 -1.678 85 HA VAL 15 HA VAL 15 -0.239 10.788 -0.469 86 HB VAL 15 HB VAL 15 0.287 12.135 -3.122 87 HG11 VAL 15 1HG1 VAL 15 -2.032 10.814 -2.026 88 HG12 VAL 15 2HG1 VAL 15 -2.362 12.517 -2.350 89 HG13 VAL 15 3HG1 VAL 15 -1.771 11.471 -3.642 90 HG21 VAL 15 1HG2 VAL 15 -1.117 13.925 -1.669 91 HG22 VAL 15 2HG2 VAL 15 -0.162 13.161 -0.398 92 HG23 VAL 15 3HG2 VAL 15 0.643 13.911 -1.777 93 H ALA 16 H ALA 16 -0.867 8.764 -0.772 94 HA ALA 16 HA ALA 16 0.111 7.321 -3.148 95 HB1 ALA 16 1HB ALA 16 0.722 6.549 -0.752 96 HB2 ALA 16 2HB ALA 16 -0.931 5.934 -0.711 97 HB3 ALA 16 3HB ALA 16 0.196 5.351 -1.935 98 H SER 17 H SER 17 -1.322 6.526 -4.565 99 HA SER 17 HA SER 17 -4.109 6.170 -3.780 100 HB2 SER 17 1HB SER 17 -3.783 8.524 -4.695 101 HB3 SER 17 2HB SER 17 -3.421 7.770 -6.247 102 HG SER 17 HG SER 17 -5.827 7.549 -4.759 103 H GLY 18 H GLY 18 -5.334 5.443 -5.964 104 HA2 GLY 18 1HA GLY 18 -4.690 4.209 -8.096 105 HA3 GLY 18 2HA GLY 18 -3.679 3.245 -7.030 106 HA PRO 19 HA PRO 19 -8.087 1.526 -7.432 107 HB2 PRO 19 1HB PRO 19 -7.502 -0.643 -8.957 108 HB3 PRO 19 2HB PRO 19 -7.958 0.920 -9.645 109 HG2 PRO 19 1HG PRO 19 -5.235 -0.273 -9.295 110 HG3 PRO 19 2HG PRO 19 -5.902 0.605 -10.684 111 HD2 PRO 19 1HD PRO 19 -4.259 1.772 -8.876 112 HD3 PRO 19 2HD PRO 19 -5.544 2.665 -9.714 113 H GLY 20 H GLY 20 -4.905 0.236 -6.789 114 HA2 GLY 20 1HA GLY 20 -5.682 -2.207 -5.595 115 HA3 GLY 20 2HA GLY 20 -4.155 -1.376 -5.335 116 H LEU 21 H LEU 21 -5.577 1.060 -4.389 117 HA LEU 21 HA LEU 21 -5.811 0.235 -1.623 118 HB2 LEU 21 1HB LEU 21 -5.567 2.813 -3.077 119 HB3 LEU 21 2HB LEU 21 -6.312 2.837 -1.480 120 HG LEU 21 HG LEU 21 -3.656 1.518 -1.827 121 HD11 LEU 21 1HD1 LEU 21 -4.218 4.443 -1.969 122 HD12 LEU 21 2HD1 LEU 21 -3.027 3.480 -2.843 123 HD13 LEU 21 3HD1 LEU 21 -2.767 3.875 -1.144 124 HD21 LEU 21 1HD2 LEU 21 -3.422 2.591 0.482 125 HD22 LEU 21 2HD2 LEU 21 -4.553 1.247 0.318 126 HD23 LEU 21 3HD2 LEU 21 -5.155 2.905 0.374 127 H GLU 22 H GLU 22 -7.900 0.283 -4.139 128 HA GLU 22 HA GLU 22 -10.203 1.044 -2.471 129 HB2 GLU 22 1HB GLU 22 -10.136 0.739 -5.475 130 HB3 GLU 22 2HB GLU 22 -11.444 1.403 -4.507 131 HG2 GLU 22 1HG GLU 22 -9.588 3.103 -3.757 132 HG3 GLU 22 2HG GLU 22 -8.848 2.622 -5.283 133 H HIS 23 H HIS 23 -8.794 -1.494 -4.423 134 HA HIS 23 HA HIS 23 -10.214 -3.534 -3.085 135 HB2 HIS 23 1HB HIS 23 -11.689 -4.330 -4.800 136 HB3 HIS 23 2HB HIS 23 -12.043 -2.623 -4.548 137 HD1 HIS 23 1HD HIS 23 -11.823 -4.875 -7.194 138 HD2 HIS 23 2HD HIS 23 -10.256 -1.077 -6.573 139 HE1 HIS 23 1HE HIS 23 -11.305 -3.978 -9.486 140 HE2 HIS 23 2HE HIS 23 -10.279 -1.714 -9.080 141 H GLY 24 H GLY 24 -9.907 -5.709 -4.278 142 HA2 GLY 24 1HA GLY 24 -7.649 -5.765 -6.102 143 HA3 GLY 24 2HA GLY 24 -7.326 -6.406 -4.497 144 H LYS 25 H LYS 25 -6.990 -8.055 -6.604 145 HA LYS 25 HA LYS 25 -9.129 -10.002 -6.178 146 HB2 LYS 25 1HB LYS 25 -9.351 -8.609 -8.391 147 HB3 LYS 25 2HB LYS 25 -8.060 -9.663 -8.955 148 HG2 LYS 25 1HG LYS 25 -9.501 -11.612 -8.328 149 HG3 LYS 25 2HG LYS 25 -10.807 -10.463 -8.029 150 HD2 LYS 25 1HD LYS 25 -10.337 -9.630 -10.419 151 HD3 LYS 25 2HD LYS 25 -9.452 -11.144 -10.619 152 HE2 LYS 25 1HE LYS 25 -11.515 -11.811 -11.333 153 HE3 LYS 25 2HE LYS 25 -11.673 -12.162 -9.613 154 HZ1 LYS 25 1HZ LYS 25 -12.404 -9.484 -10.104 155 HZ2 LYS 25 2HZ LYS 25 -13.348 -10.742 -9.483 156 HZ3 LYS 25 3HZ LYS 25 -13.266 -10.492 -11.154 157 H VAL 26 H VAL 26 -8.446 -12.101 -6.127 158 HA VAL 26 HA VAL 26 -5.830 -12.706 -5.491 159 HB VAL 26 HB VAL 26 -7.956 -14.514 -6.643 160 HG11 VAL 26 1HG1 VAL 26 -5.421 -15.335 -5.234 161 HG12 VAL 26 2HG1 VAL 26 -6.650 -16.393 -5.929 162 HG13 VAL 26 3HG1 VAL 26 -5.649 -15.392 -6.981 163 HG21 VAL 26 1HG2 VAL 26 -8.516 -13.469 -4.500 164 HG22 VAL 26 2HG2 VAL 26 -8.274 -15.208 -4.326 165 HG23 VAL 26 3HG2 VAL 26 -7.016 -14.087 -3.807 166 H GLY 27 H GLY 27 -4.108 -12.335 -6.740 167 HA2 GLY 27 1HA GLY 27 -2.701 -13.217 -8.486 168 HA3 GLY 27 2HA GLY 27 -4.141 -13.446 -9.468 169 H GLU 28 H GLU 28 -5.206 -10.792 -8.769 170 HA GLU 28 HA GLU 28 -4.091 -9.332 -10.910 171 HB2 GLU 28 1HB GLU 28 -6.069 -8.743 -8.750 172 HB3 GLU 28 2HB GLU 28 -5.420 -7.403 -9.685 173 HG2 GLU 28 1HG GLU 28 -6.756 -9.816 -10.885 174 HG3 GLU 28 2HG GLU 28 -7.570 -8.291 -10.537 175 H ALA 29 H ALA 29 -3.459 -6.915 -10.491 176 HA ALA 29 HA ALA 29 -1.411 -6.875 -8.369 177 HB1 ALA 29 1HB ALA 29 -0.469 -5.120 -10.244 178 HB2 ALA 29 2HB ALA 29 0.054 -6.795 -10.058 179 HB3 ALA 29 3HB ALA 29 -1.189 -6.385 -11.241 180 H GLY 30 H GLY 30 -1.919 -5.446 -6.849 181 HA2 GLY 30 1HA GLY 30 -3.852 -3.391 -7.227 182 HA3 GLY 30 2HA GLY 30 -2.839 -3.611 -5.808 183 H LEU 31 H LEU 31 -3.235 -1.957 -8.821 184 HA LEU 31 HA LEU 31 -0.689 -0.790 -9.054 185 HB2 LEU 31 1HB LEU 31 -3.365 0.292 -9.923 186 HB3 LEU 31 2HB LEU 31 -1.797 0.887 -10.465 187 HG LEU 31 HG LEU 31 -2.765 -1.923 -10.962 188 HD11 LEU 31 1HD1 LEU 31 -3.590 -1.300 -13.041 189 HD12 LEU 31 2HD1 LEU 31 -2.766 0.259 -13.012 190 HD13 LEU 31 3HD1 LEU 31 -4.167 -0.017 -11.978 191 HD21 LEU 31 1HD2 LEU 31 -0.374 -0.326 -11.690 192 HD22 LEU 31 2HD2 LEU 31 -1.020 -1.433 -12.902 193 HD23 LEU 31 3HD2 LEU 31 -0.523 -2.045 -11.324 194 H LEU 32 H LEU 32 0.303 0.599 -7.763 195 HA LEU 32 HA LEU 32 -1.311 2.557 -6.277 196 HB2 LEU 32 1HB LEU 32 1.064 1.051 -5.192 197 HB3 LEU 32 2HB LEU 32 0.152 2.299 -4.346 198 HG LEU 32 HG LEU 32 -0.833 -0.445 -5.120 199 HD11 LEU 32 1HD1 LEU 32 -1.156 -0.254 -2.462 200 HD12 LEU 32 2HD1 LEU 32 0.272 0.759 -2.666 201 HD13 LEU 32 3HD1 LEU 32 0.292 -0.914 -3.222 202 HD21 LEU 32 1HD2 LEU 32 -2.879 0.423 -5.079 203 HD22 LEU 32 2HD2 LEU 32 -2.270 1.995 -4.561 204 HD23 LEU 32 3HD2 LEU 32 -2.631 0.750 -3.364 205 H SER 33 H SER 33 -0.567 4.601 -6.314 206 HA SER 33 HA SER 33 2.117 5.058 -7.442 207 HB2 SER 33 1HB SER 33 1.073 7.212 -8.380 208 HB3 SER 33 2HB SER 33 0.647 5.697 -9.177 209 HG SER 33 HG SER 33 -0.907 7.375 -7.576 210 H VAL 34 H VAL 34 3.430 6.272 -6.245 211 HA VAL 34 HA VAL 34 2.248 7.854 -4.056 212 HB VAL 34 HB VAL 34 4.963 6.530 -4.146 213 HG11 VAL 34 1HG1 VAL 34 5.098 7.237 -1.769 214 HG12 VAL 34 2HG1 VAL 34 5.099 8.586 -2.907 215 HG13 VAL 34 3HG1 VAL 34 3.633 8.189 -2.009 216 HG21 VAL 34 1HG2 VAL 34 3.051 5.809 -2.042 217 HG22 VAL 34 2HG2 VAL 34 2.574 5.321 -3.668 218 HG23 VAL 34 3HG2 VAL 34 4.118 4.787 -3.006 219 H ASP 35 H ASP 35 2.254 9.932 -4.626 220 HA ASP 35 HA ASP 35 4.480 10.992 -6.204 221 HB2 ASP 35 1HB ASP 35 1.892 11.382 -6.618 222 HB3 ASP 35 2HB ASP 35 2.129 12.663 -5.433 223 H CYS 36 H CYS 36 6.155 11.647 -5.020 224 HA CYS 36 HA CYS 36 5.649 12.966 -2.447 225 HB2 CYS 36 1HB CYS 36 7.727 12.250 -1.720 226 HB3 CYS 36 2HB CYS 36 7.257 10.927 -2.780 227 HG CYS 36 HG CYS 36 9.898 11.251 -3.314 228 H SER 37 H SER 37 5.994 15.078 -2.202 229 HA SER 37 HA SER 37 7.389 16.507 -4.367 230 HB2 SER 37 1HB SER 37 6.036 18.506 -3.516 231 HB3 SER 37 2HB SER 37 5.137 17.244 -4.358 232 HG SER 37 HG SER 37 4.043 16.917 -2.603 233 H GLU 38 H GLU 38 6.577 17.042 -0.932 234 HA GLU 38 HA GLU 38 9.317 18.058 -0.552 235 HB2 GLU 38 1HB GLU 38 6.682 18.976 0.497 236 HB3 GLU 38 2HB GLU 38 8.091 19.156 1.532 237 HG2 GLU 38 1HG GLU 38 8.074 20.166 -1.288 238 HG3 GLU 38 2HG GLU 38 7.438 21.122 0.049 239 H ALA 39 H ALA 39 8.116 15.293 -0.280 240 HA ALA 39 HA ALA 39 7.960 14.593 2.441 241 HB1 ALA 39 1HB ALA 39 8.793 12.854 0.121 242 HB2 ALA 39 2HB ALA 39 8.221 12.299 1.695 243 HB3 ALA 39 3HB ALA 39 7.130 13.170 0.618 244 H GLY 40 H GLY 40 10.587 15.668 0.665 245 HA2 GLY 40 1HA GLY 40 12.827 15.823 1.144 246 HA3 GLY 40 2HA GLY 40 12.411 15.356 2.787 247 HA PRO 41 HA PRO 41 15.071 11.995 1.129 248 HB2 PRO 41 1HB PRO 41 16.360 11.567 3.480 249 HB3 PRO 41 2HB PRO 41 16.858 12.808 2.323 250 HG2 PRO 41 1HG PRO 41 15.230 13.089 4.819 251 HG3 PRO 41 2HG PRO 41 16.538 14.122 4.215 252 HD2 PRO 41 1HD PRO 41 13.924 14.764 3.925 253 HD3 PRO 41 2HD PRO 41 15.157 15.219 2.731 254 H GLY 42 H GLY 42 15.542 9.797 2.350 255 HA2 GLY 42 1HA GLY 42 14.650 8.197 3.951 256 HA3 GLY 42 2HA GLY 42 13.085 8.975 3.764 257 H ALA 43 H ALA 43 13.366 6.238 3.519 258 HA ALA 43 HA ALA 43 13.034 5.818 0.620 259 HB1 ALA 43 1HB ALA 43 13.405 3.312 1.573 260 HB2 ALA 43 2HB ALA 43 14.696 4.339 0.948 261 HB3 ALA 43 3HB ALA 43 14.409 4.243 2.685 262 H LEU 44 H LEU 44 11.274 4.638 -0.106 263 HA LEU 44 HA LEU 44 9.031 4.531 1.751 264 HB2 LEU 44 1HB LEU 44 8.673 5.625 -0.378 265 HB3 LEU 44 2HB LEU 44 9.183 4.174 -1.238 266 HG LEU 44 HG LEU 44 7.189 3.005 -0.266 267 HD11 LEU 44 1HD1 LEU 44 5.841 5.560 0.255 268 HD12 LEU 44 2HD1 LEU 44 7.056 5.098 1.447 269 HD13 LEU 44 3HD1 LEU 44 5.713 4.012 1.092 270 HD21 LEU 44 1HD2 LEU 44 6.246 3.453 -2.223 271 HD22 LEU 44 2HD2 LEU 44 7.388 4.780 -2.437 272 HD23 LEU 44 3HD2 LEU 44 5.818 5.078 -1.688 273 H GLY 45 H GLY 45 7.763 2.681 2.091 274 HA2 GLY 45 1HA GLY 45 8.527 0.149 0.938 275 HA3 GLY 45 2HA GLY 45 8.975 0.315 2.629 276 H LEU 46 H LEU 46 6.926 -1.333 1.046 277 HA LEU 46 HA LEU 46 4.644 -0.724 2.807 278 HB2 LEU 46 1HB LEU 46 4.137 -0.176 0.476 279 HB3 LEU 46 2HB LEU 46 4.558 -1.819 -0.002 280 HG LEU 46 HG LEU 46 2.652 -2.521 1.604 281 HD11 LEU 46 1HD1 LEU 46 2.430 -0.217 2.558 282 HD12 LEU 46 2HD1 LEU 46 0.925 -0.928 1.975 283 HD13 LEU 46 3HD1 LEU 46 1.757 0.291 1.009 284 HD21 LEU 46 1HD2 LEU 46 1.095 -2.475 -0.187 285 HD22 LEU 46 2HD2 LEU 46 2.696 -2.646 -0.907 286 HD23 LEU 46 3HD2 LEU 46 1.883 -1.081 -0.925 287 H GLU 47 H GLU 47 3.349 -2.559 3.444 288 HA GLU 47 HA GLU 47 4.627 -5.175 3.126 289 HB2 GLU 47 1HB GLU 47 5.469 -4.174 5.234 290 HB3 GLU 47 2HB GLU 47 3.812 -4.033 5.804 291 HG2 GLU 47 1HG GLU 47 3.579 -6.474 5.680 292 HG3 GLU 47 2HG GLU 47 5.260 -6.593 5.164 293 H ALA 48 H ALA 48 3.072 -6.309 2.157 294 HA ALA 48 HA ALA 48 0.276 -5.859 2.807 295 HB1 ALA 48 1HB ALA 48 -0.119 -7.544 0.997 296 HB2 ALA 48 2HB ALA 48 0.756 -6.099 0.486 297 HB3 ALA 48 3HB ALA 48 1.628 -7.607 0.762 298 H VAL 49 H VAL 49 -0.964 -7.147 4.035 299 HA VAL 49 HA VAL 49 -0.213 -9.882 4.599 300 HB VAL 49 HB VAL 49 -0.295 -7.834 6.819 301 HG11 VAL 49 1HG1 VAL 49 0.112 -10.805 7.092 302 HG12 VAL 49 2HG1 VAL 49 -0.088 -9.614 8.379 303 HG13 VAL 49 3HG1 VAL 49 -1.446 -10.012 7.326 304 HG21 VAL 49 1HG2 VAL 49 1.898 -9.568 5.702 305 HG22 VAL 49 2HG2 VAL 49 1.843 -7.807 5.782 306 HG23 VAL 49 3HG2 VAL 49 2.008 -8.751 7.262 307 H SER 50 H SER 50 -1.941 -11.132 5.125 308 HA SER 50 HA SER 50 -4.547 -9.793 5.148 309 HB2 SER 50 1HB SER 50 -3.948 -11.671 3.496 310 HB3 SER 50 2HB SER 50 -4.098 -12.761 4.874 311 HG SER 50 HG SER 50 -6.239 -12.112 5.107 312 H ASP 51 H ASP 51 -6.236 -10.637 6.570 313 HA ASP 51 HA ASP 51 -5.584 -10.551 9.243 314 HB2 ASP 51 1HB ASP 51 -7.954 -11.602 7.747 315 HB3 ASP 51 2HB ASP 51 -7.849 -11.872 9.485 316 H SER 52 H SER 52 -5.211 -13.158 7.061 317 HA SER 52 HA SER 52 -4.953 -15.109 9.233 318 HB2 SER 52 1HB SER 52 -4.977 -15.492 6.229 319 HB3 SER 52 2HB SER 52 -4.835 -16.792 7.412 320 HG SER 52 HG SER 52 -7.042 -15.276 6.685 321 H GLY 53 H GLY 53 -3.009 -12.961 8.782 322 HA2 GLY 53 1HA GLY 53 -0.737 -12.642 8.603 323 HA3 GLY 53 2HA GLY 53 -0.642 -14.253 9.298 324 H THR 54 H THR 54 -1.595 -12.942 6.121 325 HA THR 54 HA THR 54 0.270 -14.868 4.895 326 HB THR 54 HB THR 54 -2.184 -13.764 3.534 327 HG1 THR 54 1HG THR 54 -3.352 -15.245 4.506 328 HG21 THR 54 1HG2 THR 54 -0.428 -16.164 2.998 329 HG22 THR 54 2HG2 THR 54 -0.482 -14.675 2.055 330 HG23 THR 54 3HG2 THR 54 -1.883 -15.745 2.094 331 H LYS 55 H LYS 55 2.038 -13.719 4.385 332 HA LYS 55 HA LYS 55 1.976 -10.974 3.623 333 HB2 LYS 55 1HB LYS 55 4.161 -13.053 3.432 334 HB3 LYS 55 2HB LYS 55 4.390 -11.347 3.072 335 HG2 LYS 55 1HG LYS 55 5.130 -11.452 5.235 336 HG3 LYS 55 2HG LYS 55 3.440 -11.006 5.478 337 HD2 LYS 55 1HD LYS 55 2.844 -13.229 6.054 338 HD3 LYS 55 2HD LYS 55 4.397 -13.860 5.501 339 HE2 LYS 55 1HE LYS 55 4.122 -11.906 7.775 340 HE3 LYS 55 2HE LYS 55 4.116 -13.655 8.001 341 HZ1 LYS 55 1HZ LYS 55 6.313 -13.618 6.769 342 HZ2 LYS 55 2HZ LYS 55 6.316 -12.997 8.342 343 HZ3 LYS 55 3HZ LYS 55 6.319 -11.945 7.017 344 H ALA 56 H ALA 56 1.657 -10.099 1.684 345 HA ALA 56 HA ALA 56 1.417 -11.872 -0.628 346 HB1 ALA 56 1HB ALA 56 0.723 -9.233 -1.336 347 HB2 ALA 56 2HB ALA 56 -0.349 -10.610 -1.083 348 HB3 ALA 56 3HB ALA 56 0.038 -9.535 0.260 349 H GLU 57 H GLU 57 2.380 -11.334 -2.659 350 HA GLU 57 HA GLU 57 5.081 -10.455 -2.413 351 HB2 GLU 57 1HB GLU 57 4.747 -12.143 -4.006 352 HB3 GLU 57 2HB GLU 57 3.359 -11.328 -4.713 353 HG2 GLU 57 1HG GLU 57 4.654 -9.888 -5.944 354 HG3 GLU 57 2HG GLU 57 6.033 -10.026 -4.855 355 H VAL 58 H VAL 58 5.656 -8.397 -2.254 356 HA VAL 58 HA VAL 58 4.175 -6.397 -3.835 357 HB VAL 58 HB VAL 58 5.543 -6.013 -1.169 358 HG11 VAL 58 1HG1 VAL 58 4.546 -3.721 -1.307 359 HG12 VAL 58 2HG1 VAL 58 5.849 -4.026 -2.456 360 HG13 VAL 58 3HG1 VAL 58 4.170 -4.051 -2.998 361 HG21 VAL 58 1HG2 VAL 58 2.623 -5.848 -1.909 362 HG22 VAL 58 2HG2 VAL 58 3.382 -7.188 -1.050 363 HG23 VAL 58 3HG2 VAL 58 3.314 -5.591 -0.307 364 H SER 59 H SER 59 5.446 -4.500 -4.486 365 HA SER 59 HA SER 59 8.319 -4.695 -4.479 366 HB2 SER 59 1HB SER 59 7.757 -6.256 -6.300 367 HB3 SER 59 2HB SER 59 6.829 -4.987 -7.100 368 HG SER 59 HG SER 59 8.902 -3.776 -7.029 369 H ILE 60 H ILE 60 9.333 -2.781 -5.101 370 HA ILE 60 HA ILE 60 7.515 -0.522 -5.632 371 HB ILE 60 HB ILE 60 10.042 -0.523 -3.978 372 HG12 ILE 60 1HG1 ILE 60 7.290 0.245 -3.046 373 HG13 ILE 60 2HG1 ILE 60 7.799 -1.440 -3.046 374 HG21 ILE 60 1HG2 ILE 60 9.207 1.878 -3.501 375 HG22 ILE 60 2HG2 ILE 60 10.076 1.557 -5.001 376 HG23 ILE 60 3HG2 ILE 60 8.318 1.693 -5.012 377 HD11 ILE 60 1HD1 ILE 60 8.581 -1.039 -1.009 378 HD12 ILE 60 2HD1 ILE 60 9.884 -0.152 -1.801 379 HD13 ILE 60 3HD1 ILE 60 8.460 0.708 -1.216 380 H GLN 61 H GLN 61 8.175 1.052 -7.078 381 HA GLN 61 HA GLN 61 10.727 0.636 -8.460 382 HB2 GLN 61 1HB GLN 61 8.923 -0.497 -9.744 383 HB3 GLN 61 2HB GLN 61 8.092 1.046 -9.883 384 HG2 GLN 61 1HG GLN 61 9.203 0.795 -11.912 385 HG3 GLN 61 2HG GLN 61 10.217 1.904 -10.990 386 HE21 GLN 61 1HE2 GLN 61 11.517 0.879 -12.943 387 HE22 GLN 61 2HE2 GLN 61 12.547 -0.428 -12.479 388 H ASN 62 H ASN 62 11.827 2.470 -8.382 389 HA ASN 62 HA ASN 62 10.533 4.974 -7.814 390 HB2 ASN 62 1HB ASN 62 12.696 4.475 -6.805 391 HB3 ASN 62 2HB ASN 62 13.429 4.321 -8.398 392 HD21 ASN 62 1HD2 ASN 62 12.292 6.481 -5.966 393 HD22 ASN 62 2HD2 ASN 62 12.874 7.940 -6.687 394 H ASN 63 H ASN 63 10.746 6.896 -9.104 395 HA ASN 63 HA ASN 63 11.272 6.441 -11.954 396 HB2 ASN 63 1HB ASN 63 8.833 7.903 -10.922 397 HB3 ASN 63 2HB ASN 63 9.240 7.591 -12.606 398 HD21 ASN 63 1HD2 ASN 63 7.455 6.565 -10.021 399 HD22 ASN 63 2HD2 ASN 63 7.107 4.955 -10.544 400 H LYS 64 H LYS 64 11.338 8.560 -13.172 401 HA LYS 64 HA LYS 64 13.136 10.328 -11.824 402 HB2 LYS 64 1HB LYS 64 13.023 9.657 -14.346 403 HB3 LYS 64 2HB LYS 64 11.857 10.968 -14.460 404 HG2 LYS 64 1HG LYS 64 13.438 12.588 -13.936 405 HG3 LYS 64 2HG LYS 64 14.546 11.413 -13.224 406 HD2 LYS 64 1HD LYS 64 15.203 10.595 -15.325 407 HD3 LYS 64 2HD LYS 64 13.825 11.340 -16.139 408 HE2 LYS 64 1HE LYS 64 15.743 13.112 -14.719 409 HE3 LYS 64 2HE LYS 64 16.254 12.392 -16.245 410 HZ1 LYS 64 1HZ LYS 64 14.643 13.513 -17.417 411 HZ2 LYS 64 2HZ LYS 64 15.054 14.663 -16.247 412 HZ3 LYS 64 3HZ LYS 64 13.646 13.743 -16.070 413 H ASP 65 H ASP 65 9.738 10.239 -12.318 414 HA ASP 65 HA ASP 65 9.365 13.078 -11.847 415 HB2 ASP 65 1HB ASP 65 7.365 10.825 -12.134 416 HB3 ASP 65 2HB ASP 65 6.947 12.529 -11.976 417 H GLY 66 H GLY 66 10.710 11.571 -9.788 418 HA2 GLY 66 1HA GLY 66 10.633 11.151 -7.522 419 HA3 GLY 66 2HA GLY 66 9.678 12.626 -7.494 420 H THR 67 H THR 67 8.824 9.503 -8.921 421 HA THR 67 HA THR 67 6.695 9.241 -6.902 422 HB THR 67 HB THR 67 5.237 8.280 -8.691 423 HG1 THR 67 1HG THR 67 6.885 9.524 -10.604 424 HG21 THR 67 1HG2 THR 67 4.459 10.372 -8.370 425 HG22 THR 67 2HG2 THR 67 5.193 10.693 -9.942 426 HG23 THR 67 3HG2 THR 67 6.066 11.091 -8.462 427 H TYR 68 H TYR 68 5.899 7.051 -6.601 428 HA TYR 68 HA TYR 68 7.861 4.994 -7.373 429 HB2 TYR 68 1HB TYR 68 6.484 5.302 -4.697 430 HB3 TYR 68 2HB TYR 68 7.492 3.935 -5.159 431 HD1 TYR 68 2HD TYR 68 7.516 7.569 -4.473 432 HD2 TYR 68 1HD TYR 68 9.858 4.062 -5.037 433 HE1 TYR 68 2HE TYR 68 9.505 8.776 -3.675 434 HE2 TYR 68 1HE TYR 68 11.853 5.259 -4.239 435 HH TYR 68 HH TYR 68 12.315 8.238 -4.193 436 H ALA 69 H ALA 69 7.043 3.209 -8.270 437 HA ALA 69 HA ALA 69 4.127 2.957 -8.410 438 HB1 ALA 69 1HB ALA 69 6.130 1.409 -10.032 439 HB2 ALA 69 2HB ALA 69 4.421 1.681 -10.372 440 HB3 ALA 69 3HB ALA 69 5.567 3.016 -10.493 441 H VAL 70 H VAL 70 3.572 1.940 -6.518 442 HA VAL 70 HA VAL 70 4.923 -0.557 -5.815 443 HB VAL 70 HB VAL 70 2.895 1.111 -4.330 444 HG11 VAL 70 1HG1 VAL 70 2.323 -1.053 -3.682 445 HG12 VAL 70 2HG1 VAL 70 3.995 -1.614 -3.736 446 HG13 VAL 70 3HG1 VAL 70 3.465 -0.539 -2.442 447 HG21 VAL 70 1HG2 VAL 70 4.672 2.151 -3.502 448 HG22 VAL 70 2HG2 VAL 70 5.269 0.618 -2.864 449 HG23 VAL 70 3HG2 VAL 70 5.736 1.142 -4.482 450 H THR 71 H THR 71 3.915 -2.531 -5.760 451 HA THR 71 HA THR 71 1.099 -2.707 -6.513 452 HB THR 71 HB THR 71 3.108 -4.391 -7.992 453 HG1 THR 71 1HG THR 71 1.938 -2.262 -9.336 454 HG21 THR 71 1HG2 THR 71 1.343 -5.038 -9.322 455 HG22 THR 71 2HG2 THR 71 0.430 -3.561 -9.015 456 HG23 THR 71 3HG2 THR 71 0.521 -4.815 -7.779 457 H TYR 72 H TYR 72 0.089 -4.623 -5.889 458 HA TYR 72 HA TYR 72 1.720 -6.566 -4.413 459 HB2 TYR 72 1HB TYR 72 0.350 -6.512 -2.499 460 HB3 TYR 72 2HB TYR 72 0.610 -4.818 -2.900 461 HD1 TYR 72 2HD TYR 72 -1.833 -7.595 -3.183 462 HD2 TYR 72 1HD TYR 72 -1.209 -3.389 -3.339 463 HE1 TYR 72 2HE TYR 72 -4.266 -7.242 -3.240 464 HE2 TYR 72 1HE TYR 72 -3.640 -3.024 -3.396 465 HH TYR 72 HH TYR 72 -5.679 -4.119 -2.855 466 H VAL 73 H VAL 73 1.273 -8.590 -4.972 467 HA VAL 73 HA VAL 73 -1.222 -9.115 -6.437 468 HB VAL 73 HB VAL 73 1.381 -10.648 -6.440 469 HG11 VAL 73 1HG1 VAL 73 0.367 -12.033 -8.179 470 HG12 VAL 73 2HG1 VAL 73 -0.531 -12.151 -6.664 471 HG13 VAL 73 3HG1 VAL 73 -1.156 -11.166 -7.988 472 HG21 VAL 73 1HG2 VAL 73 0.072 -9.169 -8.712 473 HG22 VAL 73 2HG2 VAL 73 1.289 -8.442 -7.662 474 HG23 VAL 73 3HG2 VAL 73 1.701 -9.844 -8.649 475 HA PRO 74 HA PRO 74 -2.212 -11.251 -2.566 476 HB2 PRO 74 1HB PRO 74 -4.877 -11.371 -3.072 477 HB3 PRO 74 2HB PRO 74 -4.086 -9.930 -2.420 478 HG2 PRO 74 1HG PRO 74 -4.893 -10.538 -5.238 479 HG3 PRO 74 2HG PRO 74 -5.069 -9.028 -4.325 480 HD2 PRO 74 1HD PRO 74 -3.085 -9.419 -6.126 481 HD3 PRO 74 2HD PRO 74 -2.876 -8.412 -4.680 482 H LEU 75 H LEU 75 -2.059 -13.387 -2.326 483 HA LEU 75 HA LEU 75 -2.490 -15.131 -4.601 484 HB2 LEU 75 1HB LEU 75 -1.507 -15.709 -1.811 485 HB3 LEU 75 2HB LEU 75 -1.570 -16.881 -3.126 486 HG LEU 75 HG LEU 75 0.088 -14.366 -3.215 487 HD11 LEU 75 1HD1 LEU 75 1.402 -15.348 -1.704 488 HD12 LEU 75 2HD1 LEU 75 1.821 -16.485 -2.985 489 HD13 LEU 75 3HD1 LEU 75 0.549 -16.886 -1.831 490 HD21 LEU 75 1HD2 LEU 75 1.282 -16.053 -4.885 491 HD22 LEU 75 2HD2 LEU 75 -0.036 -14.998 -5.395 492 HD23 LEU 75 3HD2 LEU 75 -0.359 -16.688 -5.004 493 H THR 76 H THR 76 -4.024 -14.320 -1.586 494 HA THR 76 HA THR 76 -6.223 -16.147 -2.267 495 HB THR 76 HB THR 76 -4.946 -17.193 -0.451 496 HG1 THR 76 1HG THR 76 -7.537 -16.186 0.034 497 HG21 THR 76 1HG2 THR 76 -5.715 -15.146 1.529 498 HG22 THR 76 2HG2 THR 76 -4.412 -14.696 0.429 499 HG23 THR 76 3HG2 THR 76 -4.262 -16.139 1.430 500 H ALA 77 H ALA 77 -8.164 -15.204 -2.265 501 HA ALA 77 HA ALA 77 -8.467 -12.434 -1.873 502 HB1 ALA 77 1HB ALA 77 -10.533 -12.708 -2.736 503 HB2 ALA 77 2HB ALA 77 -9.913 -14.306 -3.152 504 HB3 ALA 77 3HB ALA 77 -10.898 -14.092 -1.705 505 H GLY 78 H GLY 78 -9.477 -11.243 -0.255 506 HA2 GLY 78 1HA GLY 78 -10.919 -11.844 1.889 507 HA3 GLY 78 2HA GLY 78 -9.357 -12.479 2.385 508 H MET 79 H MET 79 -10.223 -10.686 4.039 509 HA MET 79 HA MET 79 -9.775 -7.975 3.371 510 HB2 MET 79 1HB MET 79 -10.158 -9.523 5.880 511 HB3 MET 79 2HB MET 79 -9.429 -7.929 6.022 512 HG2 MET 79 1HG MET 79 -11.903 -8.191 4.406 513 HG3 MET 79 2HG MET 79 -12.036 -8.296 6.160 514 HE1 MET 79 1HE MET 79 -9.383 -6.181 4.161 515 HE2 MET 79 2HE MET 79 -10.820 -6.108 3.141 516 HE3 MET 79 3HE MET 79 -10.244 -4.655 3.960 517 H TYR 80 H TYR 80 -7.928 -6.945 3.022 518 HA TYR 80 HA TYR 80 -5.442 -8.131 4.063 519 HB2 TYR 80 1HB TYR 80 -6.125 -6.779 1.504 520 HB3 TYR 80 2HB TYR 80 -4.517 -6.494 2.159 521 HD1 TYR 80 1HD TYR 80 -2.920 -8.344 2.382 522 HD2 TYR 80 2HD TYR 80 -6.750 -8.933 0.626 523 HE1 TYR 80 1HE TYR 80 -2.152 -10.482 1.440 524 HE2 TYR 80 2HE TYR 80 -5.993 -11.073 -0.320 525 HH TYR 80 HH TYR 80 -3.660 -12.069 -0.984 526 H THR 81 H THR 81 -3.767 -6.686 4.764 527 HA THR 81 HA THR 81 -4.774 -4.058 5.644 528 HB THR 81 HB THR 81 -2.859 -5.817 7.186 529 HG1 THR 81 1HG THR 81 -5.656 -5.386 7.415 530 HG21 THR 81 1HG2 THR 81 -3.757 -3.042 7.444 531 HG22 THR 81 2HG2 THR 81 -2.353 -3.847 8.144 532 HG23 THR 81 3HG2 THR 81 -3.930 -3.989 8.921 533 H LEU 82 H LEU 82 -3.810 -2.863 4.031 534 HA LEU 82 HA LEU 82 -1.103 -3.217 3.224 535 HB2 LEU 82 1HB LEU 82 -2.688 -0.692 2.883 536 HB3 LEU 82 2HB LEU 82 -1.409 -1.332 1.853 537 HG LEU 82 HG LEU 82 -4.072 -2.699 2.149 538 HD11 LEU 82 1HD1 LEU 82 -3.263 -0.463 0.319 539 HD12 LEU 82 2HD1 LEU 82 -4.703 -0.601 1.326 540 HD13 LEU 82 3HD1 LEU 82 -4.532 -1.610 -0.110 541 HD21 LEU 82 1HD2 LEU 82 -3.416 -4.032 0.417 542 HD22 LEU 82 2HD2 LEU 82 -1.845 -3.719 1.156 543 HD23 LEU 82 3HD2 LEU 82 -2.347 -2.807 -0.269 544 H THR 83 H THR 83 0.708 -2.477 4.116 545 HA THR 83 HA THR 83 0.504 -0.324 6.119 546 HB THR 83 HB THR 83 2.424 -2.657 6.235 547 HG1 THR 83 1HG THR 83 0.192 -2.155 7.927 548 HG21 THR 83 1HG2 THR 83 3.530 -1.101 7.471 549 HG22 THR 83 2HG2 THR 83 2.401 -1.640 8.713 550 HG23 THR 83 3HG2 THR 83 2.071 -0.168 7.801 551 H MET 84 H MET 84 1.325 1.415 5.118 552 HA MET 84 HA MET 84 3.803 1.101 3.568 553 HB2 MET 84 1HB MET 84 1.778 2.117 2.458 554 HB3 MET 84 2HB MET 84 1.937 3.474 3.566 555 HG2 MET 84 1HG MET 84 3.084 4.321 1.813 556 HG3 MET 84 2HG MET 84 4.407 3.477 2.615 557 HE1 MET 84 1HE MET 84 3.051 3.546 -1.349 558 HE2 MET 84 2HE MET 84 1.866 2.340 -0.848 559 HE3 MET 84 3HE MET 84 1.988 3.871 0.020 560 H LYS 85 H LYS 85 5.587 2.391 3.976 561 HA LYS 85 HA LYS 85 5.481 4.271 6.203 562 HB2 LYS 85 1HB LYS 85 6.991 1.692 6.199 563 HB3 LYS 85 2HB LYS 85 7.715 3.092 6.980 564 HG2 LYS 85 1HG LYS 85 5.332 3.230 8.121 565 HG3 LYS 85 2HG LYS 85 5.333 1.504 7.751 566 HD2 LYS 85 1HD LYS 85 7.725 1.588 8.816 567 HD3 LYS 85 2HD LYS 85 7.116 3.061 9.572 568 HE2 LYS 85 1HE LYS 85 5.122 1.670 10.315 569 HE3 LYS 85 2HE LYS 85 6.056 0.258 9.825 570 HZ1 LYS 85 1HZ LYS 85 6.317 0.708 12.179 571 HZ2 LYS 85 2HZ LYS 85 6.887 2.266 11.850 572 HZ3 LYS 85 3HZ LYS 85 7.792 0.917 11.376 573 H TYR 86 H TYR 86 6.547 6.051 5.662 574 HA TYR 86 HA TYR 86 8.665 5.849 3.624 575 HB2 TYR 86 1HB TYR 86 6.528 7.135 3.061 576 HB3 TYR 86 2HB TYR 86 7.070 8.335 4.229 577 HD1 TYR 86 1HD TYR 86 9.153 9.615 3.809 578 HD2 TYR 86 2HD TYR 86 7.516 6.983 0.894 579 HE1 TYR 86 1HE TYR 86 10.531 10.687 2.076 580 HE2 TYR 86 2HE TYR 86 8.890 8.047 -0.847 581 HH TYR 86 HH TYR 86 10.080 10.766 -0.843 582 H GLY 87 H GLY 87 10.640 6.141 4.400 583 HA2 GLY 87 1HA GLY 87 12.401 7.028 5.583 584 HA3 GLY 87 2HA GLY 87 11.359 8.388 5.975 585 H GLY 88 H GLY 88 10.295 5.203 6.803 586 HA2 GLY 88 1HA GLY 88 10.446 4.032 8.828 587 HA3 GLY 88 2HA GLY 88 11.360 5.370 9.508 588 H GLU 89 H GLU 89 8.704 6.615 7.956 589 HA GLU 89 HA GLU 89 7.096 6.548 10.425 590 HB2 GLU 89 1HB GLU 89 7.407 8.882 8.530 591 HB3 GLU 89 2HB GLU 89 6.417 8.854 9.982 592 HG2 GLU 89 1HG GLU 89 8.726 8.229 11.106 593 HG3 GLU 89 2HG GLU 89 9.358 9.071 9.692 594 H LEU 90 H LEU 90 4.928 6.236 10.224 595 HA LEU 90 HA LEU 90 3.953 5.022 7.869 596 HB2 LEU 90 1HB LEU 90 2.814 5.844 10.480 597 HB3 LEU 90 2HB LEU 90 1.683 5.556 9.160 598 HG LEU 90 HG LEU 90 3.693 3.541 10.162 599 HD11 LEU 90 1HD1 LEU 90 1.871 2.449 11.274 600 HD12 LEU 90 2HD1 LEU 90 0.724 3.643 10.667 601 HD13 LEU 90 3HD1 LEU 90 1.954 4.118 11.837 602 HD21 LEU 90 1HD2 LEU 90 3.173 2.372 8.352 603 HD22 LEU 90 2HD2 LEU 90 2.147 3.692 7.788 604 HD23 LEU 90 3HD2 LEU 90 1.468 2.416 8.801 605 H VAL 91 H VAL 91 2.353 5.721 6.407 606 HA VAL 91 HA VAL 91 2.375 8.614 5.966 607 HB VAL 91 HB VAL 91 1.138 7.739 3.778 608 HG11 VAL 91 1HG1 VAL 91 3.162 8.987 3.676 609 HG12 VAL 91 2HG1 VAL 91 4.095 7.647 4.346 610 HG13 VAL 91 3HG1 VAL 91 3.408 7.522 2.726 611 HG21 VAL 91 1HG2 VAL 91 2.921 5.399 4.379 612 HG22 VAL 91 2HG2 VAL 91 1.201 5.381 4.772 613 HG23 VAL 91 3HG2 VAL 91 1.721 5.573 3.097 614 HA PRO 92 HA PRO 92 -1.832 9.285 7.017 615 HB2 PRO 92 1HB PRO 92 -2.643 11.022 5.095 616 HB3 PRO 92 2HB PRO 92 -1.538 11.477 6.397 617 HG2 PRO 92 1HG PRO 92 -0.922 10.730 3.565 618 HG3 PRO 92 2HG PRO 92 -0.241 12.038 4.550 619 HD2 PRO 92 1HD PRO 92 1.055 9.696 4.139 620 HD3 PRO 92 2HD PRO 92 1.215 10.625 5.643 621 H HIS 93 H HIS 93 -1.005 7.434 4.443 622 HA HIS 93 HA HIS 93 -3.813 6.951 3.690 623 HB2 HIS 93 1HB HIS 93 -1.389 6.336 1.995 624 HB3 HIS 93 2HB HIS 93 -3.080 6.250 1.510 625 HD1 HIS 93 1HD HIS 93 -4.019 8.282 0.427 626 HD2 HIS 93 2HD HIS 93 -0.520 9.094 2.516 627 HE1 HIS 93 1HE HIS 93 -3.464 10.679 -0.096 628 HE2 HIS 93 2HE HIS 93 -1.298 11.122 1.111 629 H PHE 94 H PHE 94 -1.669 5.799 5.701 630 HA PHE 94 HA PHE 94 -2.631 3.070 5.451 631 HB2 PHE 94 1HB PHE 94 0.322 3.725 5.480 632 HB3 PHE 94 2HB PHE 94 -0.354 2.110 5.665 633 HD1 PHE 94 2HD PHE 94 -0.172 4.980 3.321 634 HD2 PHE 94 1HD PHE 94 -0.825 0.801 3.801 635 HE1 PHE 94 2HE PHE 94 -0.165 4.702 0.877 636 HE2 PHE 94 1HE PHE 94 -0.817 0.516 1.357 637 HZ PHE 94 HZ PHE 94 -0.488 2.468 -0.109 638 HA PRO 95 HA PRO 95 -1.847 1.089 6.474 639 HB2 PRO 95 1HB PRO 95 -3.510 -0.311 8.100 640 HB3 PRO 95 2HB PRO 95 -1.767 -0.207 8.369 641 HG2 PRO 95 1HG PRO 95 -3.980 1.330 9.673 642 HG3 PRO 95 2HG PRO 95 -2.541 0.600 10.408 643 HD2 PRO 95 1HD PRO 95 -2.711 3.245 9.851 644 HD3 PRO 95 2HD PRO 95 -1.179 2.350 9.781 645 H ALA 96 H ALA 96 -3.488 0.170 5.188 646 HA ALA 96 HA ALA 96 -6.114 1.492 5.307 647 HB1 ALA 96 1HB ALA 96 -4.279 1.247 2.953 648 HB2 ALA 96 2HB ALA 96 -6.025 1.378 2.732 649 HB3 ALA 96 3HB ALA 96 -5.141 2.664 3.553 650 H ARG 97 H ARG 97 -7.824 0.171 5.070 651 HA ARG 97 HA ARG 97 -7.281 -2.672 4.678 652 HB2 ARG 97 1HB ARG 97 -9.683 -1.175 5.726 653 HB3 ARG 97 2HB ARG 97 -9.686 -2.910 5.437 654 HG2 ARG 97 1HG ARG 97 -7.570 -1.714 7.165 655 HG3 ARG 97 2HG ARG 97 -9.192 -1.970 7.813 656 HD2 ARG 97 1HD ARG 97 -7.877 -4.205 6.354 657 HD3 ARG 97 2HD ARG 97 -7.320 -3.827 7.983 658 HE ARG 97 HE ARG 97 -9.799 -5.064 7.247 659 HH11 ARG 97 1HH1 ARG 97 -8.191 -3.128 9.653 660 HH12 ARG 97 2HH1 ARG 97 -9.256 -3.602 10.934 661 HH21 ARG 97 1HH2 ARG 97 -11.208 -5.696 8.926 662 HH22 ARG 97 2HH2 ARG 97 -10.971 -5.064 10.520 663 H VAL 98 H VAL 98 -8.054 -3.856 3.005 664 HA VAL 98 HA VAL 98 -9.938 -2.627 1.135 665 HB VAL 98 HB VAL 98 -7.376 -3.893 0.166 666 HG11 VAL 98 1HG1 VAL 98 -8.941 -4.110 -1.535 667 HG12 VAL 98 2HG1 VAL 98 -9.715 -2.571 -1.155 668 HG13 VAL 98 3HG1 VAL 98 -8.134 -2.595 -1.937 669 HG21 VAL 98 1HG2 VAL 98 -6.608 -1.647 -0.385 670 HG22 VAL 98 2HG2 VAL 98 -8.060 -0.959 0.343 671 HG23 VAL 98 3HG2 VAL 98 -6.885 -1.803 1.350 672 H LYS 99 H LYS 99 -11.297 -4.052 0.165 673 HA LYS 99 HA LYS 99 -11.121 -6.829 1.057 674 HB2 LYS 99 1HB LYS 99 -13.232 -5.642 1.433 675 HB3 LYS 99 2HB LYS 99 -13.374 -5.330 -0.292 676 HG2 LYS 99 1HG LYS 99 -13.881 -7.532 -0.783 677 HG3 LYS 99 2HG LYS 99 -13.168 -8.135 0.714 678 HD2 LYS 99 1HD LYS 99 -14.988 -7.212 2.003 679 HD3 LYS 99 2HD LYS 99 -15.666 -6.448 0.563 680 HE2 LYS 99 1HE LYS 99 -15.241 -9.409 0.645 681 HE3 LYS 99 2HE LYS 99 -16.656 -8.695 1.418 682 HZ1 LYS 99 1HZ LYS 99 -16.470 -9.389 -1.194 683 HZ2 LYS 99 2HZ LYS 99 -16.205 -7.720 -1.245 684 HZ3 LYS 99 3HZ LYS 99 -17.618 -8.330 -0.543 685 H VAL 100 H VAL 100 -10.236 -8.291 -0.233 686 HA VAL 100 HA VAL 100 -10.186 -7.796 -3.128 687 HB VAL 100 HB VAL 100 -8.536 -9.710 -1.472 688 HG11 VAL 100 1HG1 VAL 100 -7.636 -9.077 -4.176 689 HG12 VAL 100 2HG1 VAL 100 -7.738 -10.633 -3.348 690 HG13 VAL 100 3HG1 VAL 100 -9.167 -9.952 -4.129 691 HG21 VAL 100 1HG2 VAL 100 -7.221 -7.968 -1.062 692 HG22 VAL 100 2HG2 VAL 100 -6.937 -7.807 -2.795 693 HG23 VAL 100 3HG2 VAL 100 -8.254 -6.917 -2.031 694 H GLU 101 H GLU 101 -11.288 -9.047 -4.504 695 HA GLU 101 HA GLU 101 -12.871 -11.237 -3.399 696 HB2 GLU 101 1HB GLU 101 -13.051 -9.519 -5.833 697 HB3 GLU 101 2HB GLU 101 -13.795 -11.112 -5.875 698 HG2 GLU 101 1HG GLU 101 -14.370 -9.189 -3.654 699 HG3 GLU 101 2HG GLU 101 -15.233 -9.108 -5.189 700 HA PRO 102 HA PRO 102 -10.519 -14.479 -5.191 701 HB2 PRO 102 1HB PRO 102 -12.463 -16.258 -5.844 702 HB3 PRO 102 2HB PRO 102 -11.973 -15.940 -4.175 703 HG2 PRO 102 1HG PRO 102 -14.318 -14.869 -5.698 704 HG3 PRO 102 2HG PRO 102 -14.245 -15.463 -4.029 705 HD2 PRO 102 1HD PRO 102 -14.228 -12.825 -4.638 706 HD3 PRO 102 2HD PRO 102 -13.372 -13.485 -3.230 707 H ALA 103 H ALA 103 -9.858 -15.374 -7.147 708 HA ALA 103 HA ALA 103 -11.010 -14.101 -9.526 709 HB1 ALA 103 1HB ALA 103 -8.942 -14.302 -10.564 710 HB2 ALA 103 2HB ALA 103 -8.515 -13.960 -8.887 711 HB3 ALA 103 3HB ALA 103 -8.424 -15.611 -9.501 712 H VAL 104 H VAL 104 -12.366 -16.314 -8.335 713 HA VAL 104 HA VAL 104 -11.819 -18.546 -10.150 714 HB VAL 104 HB VAL 104 -13.830 -18.471 -7.902 715 HG11 VAL 104 1HG1 VAL 104 -12.552 -20.989 -8.704 716 HG12 VAL 104 2HG1 VAL 104 -14.242 -20.638 -8.334 717 HG13 VAL 104 3HG1 VAL 104 -13.590 -20.261 -9.929 718 HG21 VAL 104 1HG2 VAL 104 -11.277 -19.906 -7.537 719 HG22 VAL 104 2HG2 VAL 104 -11.196 -18.145 -7.476 720 HG23 VAL 104 3HG2 VAL 104 -12.258 -19.018 -6.371 721 H ASP 105 H ASP 105 -12.763 -16.439 -11.535 722 HA ASP 105 HA ASP 105 -15.594 -16.326 -11.737 723 HB2 ASP 105 1HB ASP 105 -13.415 -15.487 -13.656 724 HB3 ASP 105 2HB ASP 105 -15.126 -15.160 -13.912 725 H THR 106 H THR 106 -13.100 -17.958 -13.673 726 HA THR 106 HA THR 106 -15.217 -19.702 -14.755 727 HB THR 106 HB THR 106 -13.888 -19.941 -16.815 728 HG1 THR 106 1HG THR 106 -12.129 -18.323 -15.360 729 HG21 THR 106 1HG2 THR 106 -14.010 -17.069 -16.899 730 HG22 THR 106 2HG2 THR 106 -15.398 -17.710 -16.019 731 HG23 THR 106 3HG2 THR 106 -15.069 -18.253 -17.664 732 H SER 107 H SER 107 -13.832 -20.261 -12.380 733 HA SER 107 HA SER 107 -12.744 -21.964 -11.334 734 HB2 SER 107 1HB SER 107 -13.141 -23.240 -14.044 735 HB3 SER 107 2HB SER 107 -12.427 -24.096 -12.677 736 HG SER 107 HG SER 107 -14.330 -24.236 -11.761 737 H SER 108 H SER 108 -11.170 -19.885 -12.233 738 HA SER 108 HA SER 108 -8.807 -21.076 -13.464 739 HB2 SER 108 1HB SER 108 -9.674 -18.824 -14.188 740 HB3 SER 108 2HB SER 108 -9.210 -18.204 -12.604 741 HG SER 108 HG SER 108 -7.455 -17.819 -13.803 742 H GLY 109 H GLY 109 -6.967 -21.544 -12.401 743 HA2 GLY 109 1HA GLY 109 -5.849 -20.408 -10.196 744 HA3 GLY 109 2HA GLY 109 -7.020 -21.530 -9.521 745 HA PRO 110 HA PRO 110 -2.899 -23.581 -10.867 746 HB2 PRO 110 1HB PRO 110 -1.564 -23.550 -8.503 747 HB3 PRO 110 2HB PRO 110 -1.408 -22.270 -9.711 748 HG2 PRO 110 1HG PRO 110 -3.075 -22.336 -7.225 749 HG3 PRO 110 2HG PRO 110 -2.087 -21.014 -7.875 750 HD2 PRO 110 1HD PRO 110 -4.775 -21.112 -8.187 751 HD3 PRO 110 2HD PRO 110 -3.698 -20.390 -9.400 752 H SER 111 H SER 111 -2.930 -25.743 -10.775 753 HA SER 111 HA SER 111 -4.492 -27.014 -8.638 754 HB2 SER 111 1HB SER 111 -3.695 -28.027 -11.377 755 HB3 SER 111 2HB SER 111 -4.592 -28.969 -10.186 756 HG SER 111 HG SER 111 -6.335 -27.785 -10.532 757 H SER 112 H SER 112 -1.934 -26.196 -7.952 758 HA SER 112 HA SER 112 -0.149 -28.467 -8.175 759 HB2 SER 112 1HB SER 112 0.709 -26.131 -8.244 760 HB3 SER 112 2HB SER 112 0.188 -25.921 -6.572 761 HG SER 112 HG SER 112 1.895 -26.963 -5.935 762 H GLY 113 H GLY 113 0.480 -29.823 -6.516 763 HA2 GLY 113 1HA GLY 113 0.308 -29.852 -3.899 764 HA3 GLY 113 2HA GLY 113 -1.405 -29.958 -4.277 Start of MODEL 14 1 H1 GLY 1 H GLY 1 23.688 27.185 -11.364 2 HA2 GLY 1 1HA GLY 1 23.040 29.462 -10.178 3 HA3 GLY 1 2HA GLY 1 21.901 28.691 -11.272 4 H SER 2 H SER 2 20.573 26.889 -10.154 5 HA SER 2 HA SER 2 20.073 27.024 -7.384 6 HB2 SER 2 1HB SER 2 17.964 28.234 -7.340 7 HB3 SER 2 2HB SER 2 19.222 29.280 -7.998 8 HG SER 2 HG SER 2 16.929 28.440 -9.145 9 H SER 3 H SER 3 19.056 25.208 -6.823 10 HA SER 3 HA SER 3 17.862 23.586 -8.938 11 HB2 SER 3 1HB SER 3 17.946 21.763 -7.224 12 HB3 SER 3 2HB SER 3 19.524 22.460 -7.591 13 HG SER 3 HG SER 3 19.192 22.227 -5.339 14 H GLY 4 H GLY 4 17.081 24.737 -5.661 15 HA2 GLY 4 1HA GLY 4 14.427 25.386 -6.215 16 HA3 GLY 4 2HA GLY 4 14.437 23.727 -5.634 17 H SER 5 H SER 5 13.624 23.839 -3.633 18 HA SER 5 HA SER 5 14.962 25.647 -1.733 19 HB2 SER 5 1HB SER 5 12.050 25.248 -2.238 20 HB3 SER 5 2HB SER 5 12.568 25.497 -0.571 21 HG SER 5 HG SER 5 12.314 27.296 -2.553 22 H SER 6 H SER 6 14.629 24.938 0.571 23 HA SER 6 HA SER 6 15.630 22.372 0.958 24 HB2 SER 6 1HB SER 6 15.882 24.123 2.636 25 HB3 SER 6 2HB SER 6 14.141 24.140 2.915 26 HG SER 6 HG SER 6 14.594 21.742 3.360 27 H GLY 7 H GLY 7 14.746 20.414 1.514 28 HA2 GLY 7 1HA GLY 7 11.815 20.238 1.676 29 HA3 GLY 7 2HA GLY 7 12.666 19.264 0.485 30 HA PRO 8 HA PRO 8 13.766 17.657 4.949 31 HB2 PRO 8 1HB PRO 8 11.888 18.233 6.823 32 HB3 PRO 8 2HB PRO 8 13.292 19.263 6.522 33 HG2 PRO 8 1HG PRO 8 10.476 19.569 5.553 34 HG3 PRO 8 2HG PRO 8 11.581 20.802 6.187 35 HD2 PRO 8 1HD PRO 8 11.138 20.468 3.537 36 HD3 PRO 8 2HD PRO 8 12.700 21.011 4.183 37 H PHE 9 H PHE 9 13.142 15.639 5.674 38 HA PHE 9 HA PHE 9 11.259 14.216 4.180 39 HB2 PHE 9 1HB PHE 9 12.882 12.854 5.112 40 HB3 PHE 9 2HB PHE 9 12.806 13.657 6.677 41 HD1 PHE 9 1HD PHE 9 11.254 11.147 4.505 42 HD2 PHE 9 2HD PHE 9 11.213 12.990 8.341 43 HE1 PHE 9 1HE PHE 9 9.796 9.353 5.347 44 HE2 PHE 9 2HE PHE 9 9.756 11.199 9.190 45 HZ PHE 9 HZ PHE 9 9.047 9.376 7.693 46 H ASP 10 H ASP 10 9.143 13.794 4.413 47 HA ASP 10 HA ASP 10 7.784 14.131 6.929 48 HB2 ASP 10 1HB ASP 10 7.965 16.465 5.921 49 HB3 ASP 10 2HB ASP 10 6.888 15.894 4.650 50 HA PRO 11 HA PRO 11 5.808 10.820 4.600 51 HB2 PRO 11 1HB PRO 11 4.620 9.703 6.770 52 HB3 PRO 11 2HB PRO 11 6.318 9.434 6.360 53 HG2 PRO 11 1HG PRO 11 5.129 11.318 8.359 54 HG3 PRO 11 2HG PRO 11 6.551 10.270 8.517 55 HD2 PRO 11 1HD PRO 11 6.745 12.920 7.992 56 HD3 PRO 11 2HD PRO 11 7.914 11.736 7.374 57 H SER 12 H SER 12 4.428 13.243 6.673 58 HA SER 12 HA SER 12 1.692 12.598 6.223 59 HB2 SER 12 1HB SER 12 2.783 14.092 8.072 60 HB3 SER 12 2HB SER 12 2.616 15.378 6.878 61 HG SER 12 HG SER 12 0.318 14.374 6.797 62 H LYS 13 H LYS 13 4.085 14.389 4.468 63 HA LYS 13 HA LYS 13 2.154 15.715 2.765 64 HB2 LYS 13 1HB LYS 13 5.137 15.536 2.350 65 HB3 LYS 13 2HB LYS 13 4.030 16.733 1.690 66 HG2 LYS 13 1HG LYS 13 4.609 16.419 4.626 67 HG3 LYS 13 2HG LYS 13 5.449 17.551 3.564 68 HD2 LYS 13 1HD LYS 13 2.467 17.581 3.655 69 HD3 LYS 13 2HD LYS 13 3.375 18.323 4.974 70 HE2 LYS 13 1HE LYS 13 3.168 20.120 3.577 71 HE3 LYS 13 2HE LYS 13 4.684 19.447 2.980 72 HZ1 LYS 13 1HZ LYS 13 3.669 18.599 1.106 73 HZ2 LYS 13 2HZ LYS 13 2.853 20.067 1.307 74 HZ3 LYS 13 3HZ LYS 13 2.121 18.619 1.786 75 H VAL 14 H VAL 14 3.476 12.657 2.936 76 HA VAL 14 HA VAL 14 3.822 12.106 0.154 77 HB VAL 14 HB VAL 14 3.421 10.227 2.486 78 HG11 VAL 14 1HG1 VAL 14 3.454 9.743 -0.360 79 HG12 VAL 14 2HG1 VAL 14 4.781 8.906 0.447 80 HG13 VAL 14 3HG1 VAL 14 3.118 8.631 0.966 81 HG21 VAL 14 1HG2 VAL 14 5.817 9.912 2.393 82 HG22 VAL 14 2HG2 VAL 14 5.937 11.002 1.012 83 HG23 VAL 14 3HG2 VAL 14 5.453 11.627 2.589 84 H VAL 15 H VAL 15 2.335 11.657 -1.332 85 HA VAL 15 HA VAL 15 -0.426 11.178 -0.441 86 HB VAL 15 HB VAL 15 0.577 12.149 -3.121 87 HG11 VAL 15 1HG1 VAL 15 -2.252 12.486 -2.471 88 HG12 VAL 15 2HG1 VAL 15 -1.487 11.926 -3.960 89 HG13 VAL 15 3HG1 VAL 15 -1.753 10.802 -2.627 90 HG21 VAL 15 1HG2 VAL 15 -0.805 13.600 -0.866 91 HG22 VAL 15 2HG2 VAL 15 0.854 13.840 -1.415 92 HG23 VAL 15 3HG2 VAL 15 -0.494 14.278 -2.464 93 H ALA 16 H ALA 16 -1.376 9.281 -0.814 94 HA ALA 16 HA ALA 16 -0.154 7.464 -2.786 95 HB1 ALA 16 1HB ALA 16 0.007 5.765 -1.322 96 HB2 ALA 16 2HB ALA 16 0.002 7.053 -0.117 97 HB3 ALA 16 3HB ALA 16 -1.491 6.195 -0.497 98 H SER 17 H SER 17 -1.511 6.615 -4.238 99 HA SER 17 HA SER 17 -4.339 6.330 -3.647 100 HB2 SER 17 1HB SER 17 -3.370 8.067 -5.930 101 HB3 SER 17 2HB SER 17 -5.046 7.597 -5.645 102 HG SER 17 HG SER 17 -4.207 9.729 -4.802 103 H GLY 18 H GLY 18 -5.420 5.614 -5.925 104 HA2 GLY 18 1HA GLY 18 -4.690 4.365 -7.997 105 HA3 GLY 18 2HA GLY 18 -3.684 3.432 -6.900 106 HA PRO 19 HA PRO 19 -8.036 1.598 -7.425 107 HB2 PRO 19 1HB PRO 19 -7.360 -0.543 -8.952 108 HB3 PRO 19 2HB PRO 19 -7.842 1.013 -9.639 109 HG2 PRO 19 1HG PRO 19 -5.097 -0.111 -9.236 110 HG3 PRO 19 2HG PRO 19 -5.756 0.760 -10.634 111 HD2 PRO 19 1HD PRO 19 -4.185 1.955 -8.780 112 HD3 PRO 19 2HD PRO 19 -5.474 2.821 -9.641 113 H GLY 20 H GLY 20 -4.833 0.314 -6.794 114 HA2 GLY 20 1HA GLY 20 -5.639 -2.112 -5.569 115 HA3 GLY 20 2HA GLY 20 -4.081 -1.323 -5.367 116 H LEU 21 H LEU 21 -5.461 1.160 -4.414 117 HA LEU 21 HA LEU 21 -5.596 0.375 -1.628 118 HB2 LEU 21 1HB LEU 21 -5.339 2.920 -3.128 119 HB3 LEU 21 2HB LEU 21 -6.063 2.995 -1.523 120 HG LEU 21 HG LEU 21 -3.446 1.606 -1.854 121 HD11 LEU 21 1HD1 LEU 21 -3.008 4.332 -1.154 122 HD12 LEU 21 2HD1 LEU 21 -3.852 4.267 -2.700 123 HD13 LEU 21 3HD1 LEU 21 -2.327 3.407 -2.492 124 HD21 LEU 21 1HD2 LEU 21 -3.160 2.107 0.394 125 HD22 LEU 21 2HD2 LEU 21 -4.890 1.781 0.279 126 HD23 LEU 21 3HD2 LEU 21 -4.308 3.445 0.345 127 H GLU 22 H GLU 22 -7.771 0.386 -4.055 128 HA GLU 22 HA GLU 22 -10.001 1.168 -2.296 129 HB2 GLU 22 1HB GLU 22 -10.064 0.977 -5.309 130 HB3 GLU 22 2HB GLU 22 -11.306 1.645 -4.259 131 HG2 GLU 22 1HG GLU 22 -9.367 3.264 -3.540 132 HG3 GLU 22 2HG GLU 22 -8.712 2.814 -5.113 133 H HIS 23 H HIS 23 -8.695 -1.308 -4.389 134 HA HIS 23 HA HIS 23 -10.090 -3.383 -3.088 135 HB2 HIS 23 1HB HIS 23 -11.548 -4.120 -4.938 136 HB3 HIS 23 2HB HIS 23 -12.024 -2.544 -4.314 137 HD1 HIS 23 1HD HIS 23 -10.206 -4.077 -7.258 138 HD2 HIS 23 2HD HIS 23 -12.113 -0.546 -6.180 139 HE1 HIS 23 1HE HIS 23 -10.326 -2.707 -9.364 140 HE2 HIS 23 2HE HIS 23 -11.406 -0.541 -8.668 141 H GLY 24 H GLY 24 -9.680 -5.514 -4.093 142 HA2 GLY 24 1HA GLY 24 -7.579 -5.531 -6.129 143 HA3 GLY 24 2HA GLY 24 -7.181 -6.204 -4.555 144 H LYS 25 H LYS 25 -6.859 -7.914 -6.496 145 HA LYS 25 HA LYS 25 -9.070 -9.787 -6.138 146 HB2 LYS 25 1HB LYS 25 -9.201 -8.452 -8.376 147 HB3 LYS 25 2HB LYS 25 -7.875 -9.494 -8.875 148 HG2 LYS 25 1HG LYS 25 -9.401 -11.432 -8.150 149 HG3 LYS 25 2HG LYS 25 -10.695 -10.233 -8.200 150 HD2 LYS 25 1HD LYS 25 -10.820 -11.004 -10.344 151 HD3 LYS 25 2HD LYS 25 -9.628 -9.722 -10.571 152 HE2 LYS 25 1HE LYS 25 -7.827 -11.299 -10.487 153 HE3 LYS 25 2HE LYS 25 -8.922 -12.600 -10.022 154 HZ1 LYS 25 1HZ LYS 25 -8.487 -12.856 -12.311 155 HZ2 LYS 25 2HZ LYS 25 -8.758 -11.219 -12.639 156 HZ3 LYS 25 3HZ LYS 25 -10.052 -12.221 -12.211 157 H VAL 26 H VAL 26 -8.422 -11.860 -5.889 158 HA VAL 26 HA VAL 26 -5.818 -12.495 -5.224 159 HB VAL 26 HB VAL 26 -8.036 -14.293 -6.196 160 HG11 VAL 26 1HG1 VAL 26 -5.269 -14.950 -5.256 161 HG12 VAL 26 2HG1 VAL 26 -6.604 -16.073 -4.994 162 HG13 VAL 26 3HG1 VAL 26 -6.162 -15.596 -6.633 163 HG21 VAL 26 1HG2 VAL 26 -8.555 -13.209 -4.123 164 HG22 VAL 26 2HG2 VAL 26 -8.143 -14.889 -3.777 165 HG23 VAL 26 3HG2 VAL 26 -6.971 -13.610 -3.460 166 H GLY 27 H GLY 27 -4.108 -12.236 -6.523 167 HA2 GLY 27 1HA GLY 27 -2.747 -13.315 -8.207 168 HA3 GLY 27 2HA GLY 27 -4.204 -13.546 -9.163 169 H GLU 28 H GLU 28 -5.103 -10.772 -8.549 170 HA GLU 28 HA GLU 28 -3.894 -9.511 -10.801 171 HB2 GLU 28 1HB GLU 28 -5.990 -8.778 -8.811 172 HB3 GLU 28 2HB GLU 28 -5.253 -7.487 -9.748 173 HG2 GLU 28 1HG GLU 28 -6.467 -9.927 -11.009 174 HG3 GLU 28 2HG GLU 28 -7.383 -8.460 -10.670 175 H ALA 29 H ALA 29 -3.371 -7.000 -10.395 176 HA ALA 29 HA ALA 29 -1.362 -6.896 -8.240 177 HB1 ALA 29 1HB ALA 29 -0.329 -5.199 -10.074 178 HB2 ALA 29 2HB ALA 29 0.115 -6.901 -9.937 179 HB3 ALA 29 3HB ALA 29 -1.087 -6.396 -11.124 180 H GLY 30 H GLY 30 -1.810 -5.377 -6.793 181 HA2 GLY 30 1HA GLY 30 -3.788 -3.362 -7.281 182 HA3 GLY 30 2HA GLY 30 -2.833 -3.553 -5.817 183 H LEU 31 H LEU 31 -3.202 -1.857 -8.773 184 HA LEU 31 HA LEU 31 -0.625 -0.734 -9.007 185 HB2 LEU 31 1HB LEU 31 -3.264 0.443 -9.865 186 HB3 LEU 31 2HB LEU 31 -1.672 0.924 -10.445 187 HG LEU 31 HG LEU 31 -2.910 -1.790 -10.893 188 HD11 LEU 31 1HD1 LEU 31 -3.042 0.750 -12.418 189 HD12 LEU 31 2HD1 LEU 31 -4.228 -0.546 -12.264 190 HD13 LEU 31 3HD1 LEU 31 -2.836 -0.747 -13.328 191 HD21 LEU 31 1HD2 LEU 31 -1.104 -2.108 -12.472 192 HD22 LEU 31 2HD2 LEU 31 -0.447 -1.742 -10.876 193 HD23 LEU 31 3HD2 LEU 31 -0.480 -0.495 -12.124 194 H LEU 32 H LEU 32 0.372 0.602 -7.666 195 HA LEU 32 HA LEU 32 -1.217 2.602 -6.212 196 HB2 LEU 32 1HB LEU 32 1.090 1.061 -5.038 197 HB3 LEU 32 2HB LEU 32 0.101 2.268 -4.220 198 HG LEU 32 HG LEU 32 -0.785 -0.470 -5.125 199 HD11 LEU 32 1HD1 LEU 32 0.278 -0.964 -3.191 200 HD12 LEU 32 2HD1 LEU 32 -1.242 -0.404 -2.493 201 HD13 LEU 32 3HD1 LEU 32 0.147 0.680 -2.567 202 HD21 LEU 32 1HD2 LEU 32 -2.827 0.424 -5.206 203 HD22 LEU 32 2HD2 LEU 32 -2.284 1.937 -4.480 204 HD23 LEU 32 3HD2 LEU 32 -2.714 0.569 -3.452 205 H SER 33 H SER 33 -0.435 4.616 -6.311 206 HA SER 33 HA SER 33 2.340 4.984 -7.230 207 HB2 SER 33 1HB SER 33 -0.196 6.151 -8.268 208 HB3 SER 33 2HB SER 33 1.224 7.197 -8.227 209 HG SER 33 HG SER 33 1.136 6.099 -10.195 210 H VAL 34 H VAL 34 3.557 6.263 -5.997 211 HA VAL 34 HA VAL 34 2.212 7.887 -3.940 212 HB VAL 34 HB VAL 34 4.977 6.671 -3.907 213 HG11 VAL 34 1HG1 VAL 34 5.331 7.643 -1.793 214 HG12 VAL 34 2HG1 VAL 34 4.704 8.947 -2.804 215 HG13 VAL 34 3HG1 VAL 34 3.645 8.138 -1.648 216 HG21 VAL 34 1HG2 VAL 34 2.513 5.537 -3.296 217 HG22 VAL 34 2HG2 VAL 34 4.102 4.925 -2.837 218 HG23 VAL 34 3HG2 VAL 34 3.207 5.969 -1.733 219 H ASP 35 H ASP 35 2.111 9.937 -4.606 220 HA ASP 35 HA ASP 35 4.211 11.079 -6.250 221 HB2 ASP 35 1HB ASP 35 1.625 12.238 -5.193 222 HB3 ASP 35 2HB ASP 35 2.744 13.103 -6.243 223 H CYS 36 H CYS 36 6.022 11.398 -5.048 224 HA CYS 36 HA CYS 36 5.767 12.888 -2.531 225 HB2 CYS 36 1HB CYS 36 7.770 10.966 -3.613 226 HB3 CYS 36 2HB CYS 36 8.347 12.219 -2.521 227 HG CYS 36 HG CYS 36 7.593 11.098 -0.335 228 H SER 37 H SER 37 5.882 15.017 -2.813 229 HA SER 37 HA SER 37 7.927 16.065 -4.659 230 HB2 SER 37 1HB SER 37 6.351 18.116 -4.745 231 HB3 SER 37 2HB SER 37 5.893 16.680 -5.659 232 HG SER 37 HG SER 37 4.206 16.453 -4.427 233 H GLU 38 H GLU 38 6.016 16.880 -1.766 234 HA GLU 38 HA GLU 38 8.210 18.611 -0.868 235 HB2 GLU 38 1HB GLU 38 5.280 18.498 -0.270 236 HB3 GLU 38 2HB GLU 38 6.371 19.206 0.913 237 HG2 GLU 38 1HG GLU 38 5.928 20.101 -1.922 238 HG3 GLU 38 2HG GLU 38 5.483 20.953 -0.444 239 H ALA 39 H ALA 39 6.897 15.548 -0.388 240 HA ALA 39 HA ALA 39 7.084 15.059 2.317 241 HB1 ALA 39 1HB ALA 39 7.880 12.705 1.495 242 HB2 ALA 39 2HB ALA 39 6.249 13.274 1.137 243 HB3 ALA 39 3HB ALA 39 7.505 13.362 -0.099 244 H GLY 40 H GLY 40 9.694 14.766 -0.098 245 HA2 GLY 40 1HA GLY 40 11.909 15.577 0.406 246 HA3 GLY 40 2HA GLY 40 11.619 15.183 2.094 247 HA PRO 41 HA PRO 41 14.213 11.790 0.380 248 HB2 PRO 41 1HB PRO 41 15.726 11.526 2.619 249 HB3 PRO 41 2HB PRO 41 16.084 12.704 1.351 250 HG2 PRO 41 1HG PRO 41 14.690 13.104 3.970 251 HG3 PRO 41 2HG PRO 41 15.912 14.122 3.186 252 HD2 PRO 41 1HD PRO 41 13.267 14.699 3.108 253 HD3 PRO 41 2HD PRO 41 14.373 15.105 1.780 254 H GLY 42 H GLY 42 15.027 9.837 2.104 255 HA2 GLY 42 1HA GLY 42 14.224 8.352 3.810 256 HA3 GLY 42 2HA GLY 42 12.606 8.982 3.542 257 H ALA 43 H ALA 43 13.504 6.212 3.577 258 HA ALA 43 HA ALA 43 13.215 5.390 0.785 259 HB1 ALA 43 1HB ALA 43 14.993 4.332 2.061 260 HB2 ALA 43 2HB ALA 43 13.821 3.759 3.249 261 HB3 ALA 43 3HB ALA 43 13.774 3.145 1.596 262 H LEU 44 H LEU 44 11.436 4.418 -0.018 263 HA LEU 44 HA LEU 44 9.072 4.351 1.682 264 HB2 LEU 44 1HB LEU 44 8.623 5.420 -0.333 265 HB3 LEU 44 2HB LEU 44 9.553 4.252 -1.269 266 HG LEU 44 HG LEU 44 7.794 2.594 -0.982 267 HD11 LEU 44 1HD1 LEU 44 7.090 3.964 1.249 268 HD12 LEU 44 2HD1 LEU 44 6.073 2.769 0.446 269 HD13 LEU 44 3HD1 LEU 44 5.839 4.486 0.119 270 HD21 LEU 44 1HD2 LEU 44 6.240 3.517 -2.481 271 HD22 LEU 44 2HD2 LEU 44 7.753 4.361 -2.815 272 HD23 LEU 44 3HD2 LEU 44 6.491 5.152 -1.868 273 H GLY 45 H GLY 45 7.944 2.538 2.218 274 HA2 GLY 45 1HA GLY 45 8.678 -0.022 1.025 275 HA3 GLY 45 2HA GLY 45 8.993 0.160 2.744 276 H LEU 46 H LEU 46 6.918 -1.205 0.719 277 HA LEU 46 HA LEU 46 4.557 -0.642 2.386 278 HB2 LEU 46 1HB LEU 46 4.282 -0.102 0.015 279 HB3 LEU 46 2HB LEU 46 4.701 -1.760 -0.411 280 HG LEU 46 HG LEU 46 2.615 -2.291 1.140 281 HD11 LEU 46 1HD1 LEU 46 2.525 0.423 1.256 282 HD12 LEU 46 2HD1 LEU 46 1.141 -0.642 1.500 283 HD13 LEU 46 3HD1 LEU 46 1.422 0.091 -0.079 284 HD21 LEU 46 1HD2 LEU 46 1.466 -1.479 -1.321 285 HD22 LEU 46 2HD2 LEU 46 1.952 -3.098 -0.816 286 HD23 LEU 46 3HD2 LEU 46 3.102 -2.051 -1.649 287 H GLU 47 H GLU 47 3.446 -2.304 3.337 288 HA GLU 47 HA GLU 47 4.509 -5.021 2.957 289 HB2 GLU 47 1HB GLU 47 5.393 -3.963 5.048 290 HB3 GLU 47 2HB GLU 47 3.738 -3.836 5.627 291 HG2 GLU 47 1HG GLU 47 4.354 -5.772 6.638 292 HG3 GLU 47 2HG GLU 47 3.719 -6.418 5.126 293 H ALA 48 H ALA 48 2.914 -6.177 2.106 294 HA ALA 48 HA ALA 48 0.145 -5.603 2.878 295 HB1 ALA 48 1HB ALA 48 -0.273 -7.280 0.928 296 HB2 ALA 48 2HB ALA 48 0.215 -5.621 0.574 297 HB3 ALA 48 3HB ALA 48 1.404 -6.922 0.514 298 H VAL 49 H VAL 49 -1.014 -6.954 4.103 299 HA VAL 49 HA VAL 49 -0.234 -9.752 4.352 300 HB VAL 49 HB VAL 49 -0.374 -7.871 6.709 301 HG11 VAL 49 1HG1 VAL 49 -1.215 -9.578 7.869 302 HG12 VAL 49 2HG1 VAL 49 -0.978 -10.702 6.529 303 HG13 VAL 49 3HG1 VAL 49 0.344 -10.373 7.650 304 HG21 VAL 49 1HG2 VAL 49 1.885 -8.391 7.087 305 HG22 VAL 49 2HG2 VAL 49 1.844 -9.764 5.981 306 HG23 VAL 49 3HG2 VAL 49 1.770 -8.120 5.348 307 H SER 50 H SER 50 -1.958 -11.050 4.471 308 HA SER 50 HA SER 50 -4.590 -9.893 4.429 309 HB2 SER 50 1HB SER 50 -3.701 -11.970 3.125 310 HB3 SER 50 2HB SER 50 -4.069 -12.846 4.611 311 HG SER 50 HG SER 50 -6.223 -11.891 4.417 312 H ASP 51 H ASP 51 -6.335 -10.554 5.836 313 HA ASP 51 HA ASP 51 -5.879 -10.147 8.516 314 HB2 ASP 51 1HB ASP 51 -8.134 -11.219 8.874 315 HB3 ASP 51 2HB ASP 51 -8.102 -9.941 7.663 316 H SER 52 H SER 52 -6.217 -13.260 6.838 317 HA SER 52 HA SER 52 -5.879 -14.856 9.153 318 HB2 SER 52 1HB SER 52 -5.309 -15.619 6.280 319 HB3 SER 52 2HB SER 52 -5.626 -16.721 7.619 320 HG SER 52 HG SER 52 -7.721 -16.111 7.644 321 H GLY 53 H GLY 53 -3.678 -13.122 7.177 322 HA2 GLY 53 1HA GLY 53 -1.457 -12.707 8.032 323 HA3 GLY 53 2HA GLY 53 -1.440 -14.352 8.650 324 H THR 54 H THR 54 -2.389 -13.201 5.437 325 HA THR 54 HA THR 54 -0.390 -15.019 4.289 326 HB THR 54 HB THR 54 -2.704 -13.688 2.872 327 HG1 THR 54 1HG THR 54 -2.507 -16.328 3.937 328 HG21 THR 54 1HG2 THR 54 -1.983 -14.676 0.998 329 HG22 THR 54 2HG2 THR 54 -1.697 -16.207 1.825 330 HG23 THR 54 3HG2 THR 54 -0.463 -14.947 1.848 331 H LYS 55 H LYS 55 1.480 -14.058 3.834 332 HA LYS 55 HA LYS 55 1.709 -11.253 3.326 333 HB2 LYS 55 1HB LYS 55 3.723 -13.489 3.026 334 HB3 LYS 55 2HB LYS 55 4.101 -11.775 2.902 335 HG2 LYS 55 1HG LYS 55 3.810 -11.410 5.160 336 HG3 LYS 55 2HG LYS 55 2.780 -12.829 5.363 337 HD2 LYS 55 1HD LYS 55 4.687 -14.295 5.074 338 HD3 LYS 55 2HD LYS 55 5.734 -12.912 4.749 339 HE2 LYS 55 1HE LYS 55 4.243 -13.381 7.329 340 HE3 LYS 55 2HE LYS 55 5.940 -13.780 7.061 341 HZ1 LYS 55 1HZ LYS 55 5.267 -11.066 6.382 342 HZ2 LYS 55 2HZ LYS 55 6.547 -11.662 7.313 343 HZ3 LYS 55 3HZ LYS 55 5.027 -11.426 8.018 344 H ALA 56 H ALA 56 1.588 -10.208 1.450 345 HA ALA 56 HA ALA 56 1.399 -11.790 -1.014 346 HB1 ALA 56 1HB ALA 56 0.204 -9.261 -0.082 347 HB2 ALA 56 2HB ALA 56 0.650 -9.325 -1.788 348 HB3 ALA 56 3HB ALA 56 -0.463 -10.520 -1.122 349 H GLU 57 H GLU 57 2.524 -11.162 -2.904 350 HA GLU 57 HA GLU 57 5.193 -10.315 -2.441 351 HB2 GLU 57 1HB GLU 57 3.583 -11.131 -4.800 352 HB3 GLU 57 2HB GLU 57 5.029 -10.181 -5.113 353 HG2 GLU 57 1HG GLU 57 6.435 -11.836 -4.449 354 HG3 GLU 57 2HG GLU 57 5.284 -12.504 -3.293 355 H VAL 58 H VAL 58 5.972 -8.324 -2.310 356 HA VAL 58 HA VAL 58 4.489 -6.139 -3.622 357 HB VAL 58 HB VAL 58 5.972 -5.990 -0.994 358 HG11 VAL 58 1HG1 VAL 58 4.418 -3.732 -1.247 359 HG12 VAL 58 2HG1 VAL 58 6.162 -3.824 -1.502 360 HG13 VAL 58 3HG1 VAL 58 5.060 -3.964 -2.873 361 HG21 VAL 58 1HG2 VAL 58 3.671 -7.167 -1.138 362 HG22 VAL 58 2HG2 VAL 58 3.930 -5.946 0.108 363 HG23 VAL 58 3HG2 VAL 58 3.035 -5.537 -1.356 364 H SER 59 H SER 59 5.670 -4.567 -4.659 365 HA SER 59 HA SER 59 8.583 -4.681 -4.558 366 HB2 SER 59 1HB SER 59 7.986 -6.230 -6.368 367 HB3 SER 59 2HB SER 59 7.025 -4.968 -7.140 368 HG SER 59 HG SER 59 8.802 -3.997 -7.805 369 H ILE 60 H ILE 60 9.520 -2.728 -4.795 370 HA ILE 60 HA ILE 60 7.758 -0.477 -5.509 371 HB ILE 60 HB ILE 60 10.241 -0.275 -3.816 372 HG12 ILE 60 1HG1 ILE 60 7.482 -0.214 -2.652 373 HG13 ILE 60 2HG1 ILE 60 8.259 -1.766 -2.945 374 HG21 ILE 60 1HG2 ILE 60 9.847 1.880 -4.336 375 HG22 ILE 60 2HG2 ILE 60 8.167 1.576 -4.774 376 HG23 ILE 60 3HG2 ILE 60 8.617 1.753 -3.079 377 HD11 ILE 60 1HD1 ILE 60 10.237 -0.667 -1.629 378 HD12 ILE 60 2HD1 ILE 60 8.955 0.369 -1.001 379 HD13 ILE 60 3HD1 ILE 60 8.865 -1.378 -0.781 380 H GLN 61 H GLN 61 8.380 0.927 -7.062 381 HA GLN 61 HA GLN 61 11.094 0.667 -8.160 382 HB2 GLN 61 1HB GLN 61 9.083 -0.468 -9.457 383 HB3 GLN 61 2HB GLN 61 8.821 1.176 -10.023 384 HG2 GLN 61 1HG GLN 61 11.429 -0.301 -10.271 385 HG3 GLN 61 2HG GLN 61 10.203 -0.222 -11.535 386 HE21 GLN 61 1HE2 GLN 61 9.518 2.047 -12.111 387 HE22 GLN 61 2HE2 GLN 61 10.774 3.226 -12.242 388 H ASN 62 H ASN 62 12.088 2.543 -8.661 389 HA ASN 62 HA ASN 62 10.600 5.010 -8.124 390 HB2 ASN 62 1HB ASN 62 13.113 5.892 -8.279 391 HB3 ASN 62 2HB ASN 62 12.467 5.174 -6.806 392 HD21 ASN 62 1HD2 ASN 62 13.711 3.715 -5.906 393 HD22 ASN 62 2HD2 ASN 62 14.860 2.709 -6.715 394 H ASN 63 H ASN 63 10.985 6.889 -9.482 395 HA ASN 63 HA ASN 63 11.688 6.187 -12.254 396 HB2 ASN 63 1HB ASN 63 9.358 7.831 -11.263 397 HB3 ASN 63 2HB ASN 63 9.911 7.871 -12.935 398 HD21 ASN 63 1HD2 ASN 63 7.722 6.535 -10.924 399 HD22 ASN 63 2HD2 ASN 63 7.374 5.077 -11.785 400 H LYS 64 H LYS 64 11.675 8.501 -13.514 401 HA LYS 64 HA LYS 64 13.797 10.000 -12.186 402 HB2 LYS 64 1HB LYS 64 12.879 9.676 -15.007 403 HB3 LYS 64 2HB LYS 64 13.735 11.150 -14.574 404 HG2 LYS 64 1HG LYS 64 14.871 8.473 -13.878 405 HG3 LYS 64 2HG LYS 64 15.068 9.148 -15.497 406 HD2 LYS 64 1HD LYS 64 16.041 11.190 -14.459 407 HD3 LYS 64 2HD LYS 64 15.961 10.382 -12.892 408 HE2 LYS 64 1HE LYS 64 18.192 10.207 -13.869 409 HE3 LYS 64 2HE LYS 64 17.436 8.623 -13.715 410 HZ1 LYS 64 1HZ LYS 64 16.973 9.930 -16.247 411 HZ2 LYS 64 2HZ LYS 64 17.418 8.332 -15.919 412 HZ3 LYS 64 3HZ LYS 64 18.595 9.547 -15.952 413 H ASP 65 H ASP 65 10.479 10.192 -12.616 414 HA ASP 65 HA ASP 65 10.324 13.082 -12.742 415 HB2 ASP 65 1HB ASP 65 8.360 10.836 -12.755 416 HB3 ASP 65 2HB ASP 65 7.800 12.426 -12.245 417 H GLY 66 H GLY 66 10.245 10.565 -10.343 418 HA2 GLY 66 1HA GLY 66 10.885 11.228 -8.076 419 HA3 GLY 66 2HA GLY 66 9.855 12.638 -8.275 420 H THR 67 H THR 67 8.646 9.697 -9.548 421 HA THR 67 HA THR 67 6.828 9.463 -7.240 422 HB THR 67 HB THR 67 5.407 8.215 -9.113 423 HG1 THR 67 1HG THR 67 6.886 8.516 -10.796 424 HG21 THR 67 1HG2 THR 67 4.459 10.022 -7.928 425 HG22 THR 67 2HG2 THR 67 4.357 10.481 -9.628 426 HG23 THR 67 3HG2 THR 67 5.613 11.173 -8.601 427 H TYR 68 H TYR 68 6.051 7.322 -6.721 428 HA TYR 68 HA TYR 68 7.977 5.217 -7.465 429 HB2 TYR 68 1HB TYR 68 6.523 5.673 -4.855 430 HB3 TYR 68 2HB TYR 68 7.423 4.206 -5.228 431 HD1 TYR 68 1HD TYR 68 9.876 4.280 -5.454 432 HD2 TYR 68 2HD TYR 68 7.650 7.709 -4.276 433 HE1 TYR 68 1HE TYR 68 11.945 5.338 -4.647 434 HE2 TYR 68 2HE TYR 68 9.712 8.777 -3.467 435 HH TYR 68 HH TYR 68 11.913 8.607 -3.254 436 H ALA 69 H ALA 69 7.217 3.300 -8.181 437 HA ALA 69 HA ALA 69 4.304 3.067 -8.496 438 HB1 ALA 69 1HB ALA 69 6.424 1.541 -9.996 439 HB2 ALA 69 2HB ALA 69 4.707 1.664 -10.381 440 HB3 ALA 69 3HB ALA 69 5.750 3.078 -10.540 441 H VAL 70 H VAL 70 3.674 2.101 -6.603 442 HA VAL 70 HA VAL 70 5.016 -0.363 -5.770 443 HB VAL 70 HB VAL 70 3.001 1.419 -4.419 444 HG11 VAL 70 1HG1 VAL 70 3.127 -0.185 -2.503 445 HG12 VAL 70 2HG1 VAL 70 2.259 -0.794 -3.913 446 HG13 VAL 70 3HG1 VAL 70 3.908 -1.332 -3.591 447 HG21 VAL 70 1HG2 VAL 70 5.223 0.727 -2.801 448 HG22 VAL 70 2HG2 VAL 70 5.837 1.191 -4.388 449 HG23 VAL 70 3HG2 VAL 70 4.810 2.301 -3.480 450 H THR 71 H THR 71 4.058 -2.342 -5.783 451 HA THR 71 HA THR 71 1.254 -2.558 -6.589 452 HB THR 71 HB THR 71 3.237 -4.342 -7.952 453 HG1 THR 71 1HG THR 71 2.943 -2.673 -9.736 454 HG21 THR 71 1HG2 THR 71 0.730 -4.709 -7.984 455 HG22 THR 71 2HG2 THR 71 1.514 -4.616 -9.562 456 HG23 THR 71 3HG2 THR 71 0.616 -3.231 -8.940 457 H TYR 72 H TYR 72 0.247 -4.491 -5.985 458 HA TYR 72 HA TYR 72 1.839 -6.397 -4.428 459 HB2 TYR 72 1HB TYR 72 0.481 -6.282 -2.521 460 HB3 TYR 72 2HB TYR 72 0.705 -4.596 -2.974 461 HD1 TYR 72 2HD TYR 72 -1.678 -7.433 -3.190 462 HD2 TYR 72 1HD TYR 72 -1.145 -3.219 -3.438 463 HE1 TYR 72 2HE TYR 72 -4.118 -7.135 -3.259 464 HE2 TYR 72 1HE TYR 72 -3.584 -2.909 -3.506 465 HH TYR 72 HH TYR 72 -5.600 -4.041 -2.935 466 H VAL 73 H VAL 73 1.321 -8.454 -4.830 467 HA VAL 73 HA VAL 73 -1.166 -8.978 -6.322 468 HB VAL 73 HB VAL 73 1.461 -10.464 -6.383 469 HG11 VAL 73 1HG1 VAL 73 0.291 -11.783 -8.217 470 HG12 VAL 73 2HG1 VAL 73 -0.182 -12.141 -6.555 471 HG13 VAL 73 3HG1 VAL 73 -1.217 -11.137 -7.570 472 HG21 VAL 73 1HG2 VAL 73 1.747 -9.652 -8.552 473 HG22 VAL 73 2HG2 VAL 73 0.052 -9.189 -8.704 474 HG23 VAL 73 3HG2 VAL 73 1.130 -8.259 -7.664 475 HA PRO 74 HA PRO 74 -2.087 -11.105 -2.434 476 HB2 PRO 74 1HB PRO 74 -4.752 -11.284 -2.921 477 HB3 PRO 74 2HB PRO 74 -3.986 -9.820 -2.291 478 HG2 PRO 74 1HG PRO 74 -4.799 -10.476 -5.097 479 HG3 PRO 74 2HG PRO 74 -4.999 -8.960 -4.200 480 HD2 PRO 74 1HD PRO 74 -3.020 -9.332 -6.010 481 HD3 PRO 74 2HD PRO 74 -2.821 -8.304 -4.576 482 H LEU 75 H LEU 75 -2.024 -13.242 -2.107 483 HA LEU 75 HA LEU 75 -2.330 -15.028 -4.374 484 HB2 LEU 75 1HB LEU 75 -1.405 -15.444 -1.541 485 HB3 LEU 75 2HB LEU 75 -1.569 -16.757 -2.705 486 HG LEU 75 HG LEU 75 0.242 -14.380 -3.107 487 HD11 LEU 75 1HD1 LEU 75 0.816 -15.797 -1.104 488 HD12 LEU 75 2HD1 LEU 75 2.061 -15.688 -2.348 489 HD13 LEU 75 3HD1 LEU 75 1.062 -17.136 -2.225 490 HD21 LEU 75 1HD2 LEU 75 -0.116 -15.283 -5.200 491 HD22 LEU 75 2HD2 LEU 75 -0.291 -16.925 -4.580 492 HD23 LEU 75 3HD2 LEU 75 1.305 -16.177 -4.658 493 H THR 76 H THR 76 -3.852 -14.417 -1.250 494 HA THR 76 HA THR 76 -6.073 -16.170 -2.077 495 HB THR 76 HB THR 76 -4.864 -17.189 -0.207 496 HG1 THR 76 1HG THR 76 -7.353 -16.966 -0.382 497 HG21 THR 76 1HG2 THR 76 -5.699 -15.019 1.649 498 HG22 THR 76 2HG2 THR 76 -4.260 -14.756 0.663 499 HG23 THR 76 3HG2 THR 76 -4.340 -16.137 1.756 500 H ALA 77 H ALA 77 -8.122 -15.393 -1.851 501 HA ALA 77 HA ALA 77 -8.506 -12.601 -1.739 502 HB1 ALA 77 1HB ALA 77 -9.961 -14.605 -2.732 503 HB2 ALA 77 2HB ALA 77 -10.822 -14.367 -1.211 504 HB3 ALA 77 3HB ALA 77 -10.650 -13.027 -2.344 505 H GLY 78 H GLY 78 -9.982 -11.474 -0.222 506 HA2 GLY 78 1HA GLY 78 -11.043 -11.793 2.067 507 HA3 GLY 78 2HA GLY 78 -9.456 -12.383 2.537 508 H MET 79 H MET 79 -10.319 -10.420 4.040 509 HA MET 79 HA MET 79 -9.774 -7.803 3.057 510 HB2 MET 79 1HB MET 79 -10.055 -8.897 5.856 511 HB3 MET 79 2HB MET 79 -9.816 -7.191 5.505 512 HG2 MET 79 1HG MET 79 -12.141 -8.893 4.641 513 HG3 MET 79 2HG MET 79 -12.150 -7.641 5.881 514 HE1 MET 79 1HE MET 79 -12.323 -5.102 5.430 515 HE2 MET 79 2HE MET 79 -10.663 -5.235 4.849 516 HE3 MET 79 3HE MET 79 -11.862 -4.356 3.900 517 H TYR 80 H TYR 80 -7.870 -6.871 2.737 518 HA TYR 80 HA TYR 80 -5.492 -8.074 3.978 519 HB2 TYR 80 1HB TYR 80 -5.999 -6.719 1.379 520 HB3 TYR 80 2HB TYR 80 -4.416 -6.490 2.113 521 HD1 TYR 80 1HD TYR 80 -2.982 -8.486 2.581 522 HD2 TYR 80 2HD TYR 80 -6.580 -8.764 0.327 523 HE1 TYR 80 1HE TYR 80 -2.250 -10.659 1.690 524 HE2 TYR 80 2HE TYR 80 -5.858 -10.937 -0.570 525 HH TYR 80 HH TYR 80 -3.623 -12.802 0.705 526 H THR 81 H THR 81 -3.832 -6.702 4.801 527 HA THR 81 HA THR 81 -4.810 -4.048 5.635 528 HB THR 81 HB THR 81 -2.930 -5.839 7.184 529 HG1 THR 81 1HG THR 81 -4.748 -6.128 8.560 530 HG21 THR 81 1HG2 THR 81 -4.062 -3.958 8.879 531 HG22 THR 81 2HG2 THR 81 -3.696 -3.048 7.413 532 HG23 THR 81 3HG2 THR 81 -2.419 -3.937 8.242 533 H LEU 82 H LEU 82 -3.821 -2.864 4.022 534 HA LEU 82 HA LEU 82 -1.100 -3.220 3.266 535 HB2 LEU 82 1HB LEU 82 -2.677 -0.695 2.887 536 HB3 LEU 82 2HB LEU 82 -1.381 -1.342 1.881 537 HG LEU 82 HG LEU 82 -4.025 -2.744 2.136 538 HD11 LEU 82 1HD1 LEU 82 -3.305 -0.366 0.484 539 HD12 LEU 82 2HD1 LEU 82 -4.808 -0.736 1.329 540 HD13 LEU 82 3HD1 LEU 82 -4.404 -1.584 -0.164 541 HD21 LEU 82 1HD2 LEU 82 -3.116 -3.211 -0.347 542 HD22 LEU 82 2HD2 LEU 82 -2.719 -4.225 1.040 543 HD23 LEU 82 3HD2 LEU 82 -1.584 -2.989 0.498 544 H THR 83 H THR 83 0.660 -2.593 4.310 545 HA THR 83 HA THR 83 0.442 -0.366 6.230 546 HB THR 83 HB THR 83 2.339 -2.701 6.496 547 HG1 THR 83 1HG THR 83 0.846 -3.343 8.189 548 HG21 THR 83 1HG2 THR 83 2.517 -0.250 7.628 549 HG22 THR 83 2HG2 THR 83 3.106 -1.729 8.388 550 HG23 THR 83 3HG2 THR 83 1.523 -1.084 8.822 551 H MET 84 H MET 84 1.381 1.331 5.273 552 HA MET 84 HA MET 84 3.937 0.906 3.876 553 HB2 MET 84 1HB MET 84 2.015 1.863 2.555 554 HB3 MET 84 2HB MET 84 2.090 3.278 3.596 555 HG2 MET 84 1HG MET 84 4.422 3.641 2.874 556 HG3 MET 84 2HG MET 84 4.261 2.278 1.769 557 HE1 MET 84 1HE MET 84 1.995 2.342 -0.087 558 HE2 MET 84 2HE MET 84 2.516 3.579 -1.231 559 HE3 MET 84 3HE MET 84 3.700 2.480 -0.521 560 H LYS 85 H LYS 85 5.718 2.095 4.427 561 HA LYS 85 HA LYS 85 5.455 4.131 6.512 562 HB2 LYS 85 1HB LYS 85 6.898 1.536 6.742 563 HB3 LYS 85 2HB LYS 85 7.656 2.956 7.451 564 HG2 LYS 85 1HG LYS 85 5.383 3.330 8.599 565 HG3 LYS 85 2HG LYS 85 5.064 1.648 8.173 566 HD2 LYS 85 1HD LYS 85 7.450 1.291 9.250 567 HD3 LYS 85 2HD LYS 85 7.037 2.787 10.090 568 HE2 LYS 85 1HE LYS 85 4.861 1.674 10.732 569 HE3 LYS 85 2HE LYS 85 5.549 0.170 10.122 570 HZ1 LYS 85 1HZ LYS 85 7.371 1.434 11.876 571 HZ2 LYS 85 2HZ LYS 85 6.657 -0.094 12.005 572 HZ3 LYS 85 3HZ LYS 85 5.872 1.262 12.642 573 H TYR 86 H TYR 86 6.478 5.892 5.854 574 HA TYR 86 HA TYR 86 8.612 5.645 3.864 575 HB2 TYR 86 1HB TYR 86 6.558 7.197 3.611 576 HB3 TYR 86 2HB TYR 86 7.381 8.237 4.769 577 HD1 TYR 86 2HD TYR 86 8.271 6.339 1.666 578 HD2 TYR 86 1HD TYR 86 8.570 9.977 3.851 579 HE1 TYR 86 2HE TYR 86 9.587 7.323 -0.164 580 HE2 TYR 86 1HE TYR 86 9.886 10.972 2.027 581 HH TYR 86 HH TYR 86 10.201 9.464 -1.045 582 H GLY 87 H GLY 87 10.681 5.974 4.360 583 HA2 GLY 87 1HA GLY 87 12.563 6.425 5.597 584 HA3 GLY 87 2HA GLY 87 11.711 7.878 6.098 585 H GLY 88 H GLY 88 10.112 4.975 6.888 586 HA2 GLY 88 1HA GLY 88 10.297 3.634 8.841 587 HA3 GLY 88 2HA GLY 88 11.360 4.847 9.539 588 H GLU 89 H GLU 89 8.525 6.012 7.999 589 HA GLU 89 HA GLU 89 7.115 6.184 10.570 590 HB2 GLU 89 1HB GLU 89 7.447 8.487 8.640 591 HB3 GLU 89 2HB GLU 89 6.559 8.520 10.157 592 HG2 GLU 89 1HG GLU 89 9.418 7.747 10.249 593 HG3 GLU 89 2HG GLU 89 9.028 9.438 9.944 594 H LEU 90 H LEU 90 4.931 5.974 10.467 595 HA LEU 90 HA LEU 90 3.788 4.822 8.154 596 HB2 LEU 90 1HB LEU 90 2.827 5.659 10.828 597 HB3 LEU 90 2HB LEU 90 1.613 5.460 9.566 598 HG LEU 90 HG LEU 90 3.530 3.337 10.528 599 HD11 LEU 90 1HD1 LEU 90 1.624 2.296 11.534 600 HD12 LEU 90 2HD1 LEU 90 0.544 3.526 10.878 601 HD13 LEU 90 3HD1 LEU 90 1.721 3.957 12.119 602 HD21 LEU 90 1HD2 LEU 90 2.106 3.585 8.085 603 HD22 LEU 90 2HD2 LEU 90 1.344 2.311 9.037 604 HD23 LEU 90 3HD2 LEU 90 3.067 2.225 8.667 605 H VAL 91 H VAL 91 2.304 5.615 6.680 606 HA VAL 91 HA VAL 91 2.340 8.522 6.354 607 HB VAL 91 HB VAL 91 1.129 7.737 4.118 608 HG11 VAL 91 1HG1 VAL 91 3.432 8.846 4.587 609 HG12 VAL 91 2HG1 VAL 91 4.070 7.229 4.281 610 HG13 VAL 91 3HG1 VAL 91 3.143 8.063 3.033 611 HG21 VAL 91 1HG2 VAL 91 1.214 5.336 5.068 612 HG22 VAL 91 2HG2 VAL 91 1.648 5.595 3.378 613 HG23 VAL 91 3HG2 VAL 91 2.911 5.376 4.589 614 HA PRO 92 HA PRO 92 -1.878 9.178 7.371 615 HB2 PRO 92 1HB PRO 92 -2.653 10.989 5.503 616 HB3 PRO 92 2HB PRO 92 -1.563 11.390 6.836 617 HG2 PRO 92 1HG PRO 92 -0.913 10.744 3.986 618 HG3 PRO 92 2HG PRO 92 -0.239 12.010 5.029 619 HD2 PRO 92 1HD PRO 92 1.051 9.679 4.549 620 HD3 PRO 92 2HD PRO 92 1.195 10.550 6.089 621 H HIS 93 H HIS 93 -1.022 7.436 4.721 622 HA HIS 93 HA HIS 93 -3.820 7.008 3.901 623 HB2 HIS 93 1HB HIS 93 -1.363 6.378 2.260 624 HB3 HIS 93 2HB HIS 93 -3.040 6.350 1.725 625 HD1 HIS 93 1HD HIS 93 -3.856 8.417 0.621 626 HD2 HIS 93 2HD HIS 93 -0.473 9.115 2.929 627 HE1 HIS 93 1HE HIS 93 -3.232 10.814 0.191 628 HE2 HIS 93 2HE HIS 93 -1.133 11.189 1.531 629 H PHE 94 H PHE 94 -1.657 5.754 5.886 630 HA PHE 94 HA PHE 94 -2.707 3.058 5.575 631 HB2 PHE 94 1HB PHE 94 0.263 3.626 5.687 632 HB3 PHE 94 2HB PHE 94 -0.473 2.028 5.763 633 HD1 PHE 94 2HD PHE 94 -0.256 5.036 3.586 634 HD2 PHE 94 1HD PHE 94 -0.807 0.822 3.820 635 HE1 PHE 94 2HE PHE 94 -0.190 4.895 1.131 636 HE2 PHE 94 1HE PHE 94 -0.741 0.674 1.365 637 HZ PHE 94 HZ PHE 94 -0.433 2.712 0.017 638 HA PRO 95 HA PRO 95 -1.996 1.036 6.558 639 HB2 PRO 95 1HB PRO 95 -3.718 -0.356 8.128 640 HB3 PRO 95 2HB PRO 95 -1.975 -0.308 8.421 641 HG2 PRO 95 1HG PRO 95 -4.161 1.259 9.736 642 HG3 PRO 95 2HG PRO 95 -2.753 0.471 10.470 643 HD2 PRO 95 1HD PRO 95 -2.840 3.132 9.977 644 HD3 PRO 95 2HD PRO 95 -1.334 2.196 9.903 645 H ALA 96 H ALA 96 -3.626 0.227 5.204 646 HA ALA 96 HA ALA 96 -6.264 1.498 5.383 647 HB1 ALA 96 1HB ALA 96 -4.759 2.770 3.812 648 HB2 ALA 96 2HB ALA 96 -4.760 1.338 2.782 649 HB3 ALA 96 3HB ALA 96 -6.271 2.184 3.116 650 H ARG 97 H ARG 97 -7.596 -0.179 5.624 651 HA ARG 97 HA ARG 97 -7.030 -2.792 4.644 652 HB2 ARG 97 1HB ARG 97 -9.310 -3.334 5.437 653 HB3 ARG 97 2HB ARG 97 -8.348 -2.507 6.655 654 HG2 ARG 97 1HG ARG 97 -10.297 -1.366 6.877 655 HG3 ARG 97 2HG ARG 97 -9.530 -0.379 5.631 656 HD2 ARG 97 1HD ARG 97 -10.903 -1.167 3.968 657 HD3 ARG 97 2HD ARG 97 -11.206 -2.694 4.796 658 HE ARG 97 HE ARG 97 -12.787 -0.363 4.951 659 HH11 ARG 97 1HH1 ARG 97 -11.541 -2.940 6.931 660 HH12 ARG 97 2HH1 ARG 97 -12.847 -2.874 8.068 661 HH21 ARG 97 1HH2 ARG 97 -14.512 -0.265 6.441 662 HH22 ARG 97 2HH2 ARG 97 -14.536 -1.352 7.788 663 H VAL 98 H VAL 98 -7.945 -3.921 2.948 664 HA VAL 98 HA VAL 98 -9.802 -2.548 1.169 665 HB VAL 98 HB VAL 98 -7.159 -3.615 0.167 666 HG11 VAL 98 1HG1 VAL 98 -9.634 -3.261 -1.141 667 HG12 VAL 98 2HG1 VAL 98 -8.562 -1.977 -1.703 668 HG13 VAL 98 3HG1 VAL 98 -8.073 -3.665 -1.854 669 HG21 VAL 98 1HG2 VAL 98 -6.494 -1.375 -0.231 670 HG22 VAL 98 2HG2 VAL 98 -8.098 -0.755 0.160 671 HG23 VAL 98 3HG2 VAL 98 -7.080 -1.431 1.432 672 H LYS 99 H LYS 99 -11.361 -3.942 0.716 673 HA LYS 99 HA LYS 99 -11.148 -6.723 1.243 674 HB2 LYS 99 1HB LYS 99 -13.271 -5.503 1.435 675 HB3 LYS 99 2HB LYS 99 -13.259 -5.201 -0.298 676 HG2 LYS 99 1HG LYS 99 -13.514 -7.541 -0.766 677 HG3 LYS 99 2HG LYS 99 -13.343 -7.942 0.945 678 HD2 LYS 99 1HD LYS 99 -15.664 -8.017 0.464 679 HD3 LYS 99 2HD LYS 99 -15.388 -6.521 1.359 680 HE2 LYS 99 1HE LYS 99 -16.758 -5.825 -0.373 681 HE3 LYS 99 2HE LYS 99 -15.149 -5.452 -0.988 682 HZ1 LYS 99 1HZ LYS 99 -16.776 -7.840 -1.670 683 HZ2 LYS 99 2HZ LYS 99 -15.201 -7.555 -2.216 684 HZ3 LYS 99 3HZ LYS 99 -16.457 -6.522 -2.683 685 H VAL 100 H VAL 100 -10.344 -8.278 0.005 686 HA VAL 100 HA VAL 100 -9.912 -7.722 -2.849 687 HB VAL 100 HB VAL 100 -8.536 -9.591 -0.933 688 HG11 VAL 100 1HG1 VAL 100 -8.807 -10.955 -2.835 689 HG12 VAL 100 2HG1 VAL 100 -8.489 -9.615 -3.939 690 HG13 VAL 100 3HG1 VAL 100 -7.181 -10.285 -2.964 691 HG21 VAL 100 1HG2 VAL 100 -6.525 -8.389 -1.838 692 HG22 VAL 100 2HG2 VAL 100 -7.635 -7.301 -2.671 693 HG23 VAL 100 3HG2 VAL 100 -7.639 -7.385 -0.910 694 H GLU 101 H GLU 101 -10.998 -8.820 -4.353 695 HA GLU 101 HA GLU 101 -12.843 -10.903 -3.498 696 HB2 GLU 101 1HB GLU 101 -12.565 -9.187 -5.930 697 HB3 GLU 101 2HB GLU 101 -13.459 -10.695 -6.051 698 HG2 GLU 101 1HG GLU 101 -14.061 -8.586 -3.999 699 HG3 GLU 101 2HG GLU 101 -14.828 -8.647 -5.585 700 HA PRO 102 HA PRO 102 -10.563 -14.324 -5.031 701 HB2 PRO 102 1HB PRO 102 -12.551 -15.928 -5.952 702 HB3 PRO 102 2HB PRO 102 -12.252 -15.661 -4.230 703 HG2 PRO 102 1HG PRO 102 -14.286 -14.387 -6.020 704 HG3 PRO 102 2HG PRO 102 -14.476 -14.994 -4.364 705 HD2 PRO 102 1HD PRO 102 -14.161 -12.364 -4.925 706 HD3 PRO 102 2HD PRO 102 -13.549 -13.101 -3.431 707 H ALA 103 H ALA 103 -10.101 -15.622 -6.970 708 HA ALA 103 HA ALA 103 -10.226 -13.969 -9.348 709 HB1 ALA 103 1HB ALA 103 -8.986 -16.574 -9.682 710 HB2 ALA 103 2HB ALA 103 -8.314 -14.961 -9.920 711 HB3 ALA 103 3HB ALA 103 -8.329 -15.681 -8.311 712 H VAL 104 H VAL 104 -12.741 -14.926 -8.608 713 HA VAL 104 HA VAL 104 -13.462 -17.297 -10.000 714 HB VAL 104 HB VAL 104 -15.809 -16.448 -9.742 715 HG11 VAL 104 1HG1 VAL 104 -15.419 -17.762 -7.957 716 HG12 VAL 104 2HG1 VAL 104 -13.885 -16.975 -7.581 717 HG13 VAL 104 3HG1 VAL 104 -15.404 -16.236 -7.074 718 HG21 VAL 104 1HG2 VAL 104 -16.301 -14.365 -9.060 719 HG22 VAL 104 2HG2 VAL 104 -14.966 -14.316 -7.909 720 HG23 VAL 104 3HG2 VAL 104 -14.671 -13.983 -9.616 721 H ASP 105 H ASP 105 -12.511 -14.333 -11.142 722 HA ASP 105 HA ASP 105 -14.195 -14.482 -13.542 723 HB2 ASP 105 1HB ASP 105 -12.652 -12.293 -12.219 724 HB3 ASP 105 2HB ASP 105 -12.905 -12.209 -13.961 725 H THR 106 H THR 106 -13.355 -14.813 -15.550 726 HA THR 106 HA THR 106 -11.254 -16.414 -16.035 727 HB THR 106 HB THR 106 -12.602 -15.944 -17.893 728 HG1 THR 106 1HG THR 106 -11.056 -15.067 -19.444 729 HG21 THR 106 1HG2 THR 106 -13.287 -13.877 -18.632 730 HG22 THR 106 2HG2 THR 106 -11.814 -13.074 -18.086 731 HG23 THR 106 3HG2 THR 106 -13.053 -13.536 -16.918 732 H SER 107 H SER 107 -9.067 -16.290 -16.373 733 HA SER 107 HA SER 107 -7.800 -13.708 -15.727 734 HB2 SER 107 1HB SER 107 -6.858 -16.507 -15.064 735 HB3 SER 107 2HB SER 107 -5.914 -15.044 -14.789 736 HG SER 107 HG SER 107 -7.524 -14.336 -13.364 737 H SER 108 H SER 108 -7.377 -16.759 -17.495 738 HA SER 108 HA SER 108 -5.731 -15.290 -19.449 739 HB2 SER 108 1HB SER 108 -4.529 -17.447 -19.859 740 HB3 SER 108 2HB SER 108 -4.279 -16.799 -18.239 741 HG SER 108 HG SER 108 -5.798 -19.016 -19.058 742 H GLY 109 H GLY 109 -6.941 -15.011 -21.208 743 HA2 GLY 109 1HA GLY 109 -8.801 -17.146 -22.004 744 HA3 GLY 109 2HA GLY 109 -8.887 -15.470 -22.526 745 HA PRO 110 HA PRO 110 -7.029 -16.780 -26.295 746 HB2 PRO 110 1HB PRO 110 -6.262 -14.347 -27.226 747 HB3 PRO 110 2HB PRO 110 -7.945 -14.888 -27.222 748 HG2 PRO 110 1HG PRO 110 -6.528 -13.095 -25.289 749 HG3 PRO 110 2HG PRO 110 -8.147 -12.925 -25.991 750 HD2 PRO 110 1HD PRO 110 -7.736 -13.877 -23.489 751 HD3 PRO 110 2HD PRO 110 -9.084 -14.422 -24.509 752 H SER 111 H SER 111 -5.247 -17.929 -25.395 753 HA SER 111 HA SER 111 -3.078 -18.228 -24.639 754 HB2 SER 111 1HB SER 111 -3.189 -18.058 -27.252 755 HB3 SER 111 2HB SER 111 -2.303 -16.553 -27.005 756 HG SER 111 HG SER 111 -0.768 -18.103 -27.213 757 H SER 112 H SER 112 -4.070 -16.208 -23.131 758 HA SER 112 HA SER 112 -1.795 -14.344 -22.979 759 HB2 SER 112 1HB SER 112 -3.879 -13.226 -23.811 760 HB3 SER 112 2HB SER 112 -4.658 -13.647 -22.286 761 HG SER 112 HG SER 112 -3.387 -11.491 -22.692 762 H GLY 113 H GLY 113 -0.837 -14.169 -21.035 763 HA2 GLY 113 1HA GLY 113 -2.265 -15.020 -18.632 764 HA3 GLY 113 2HA GLY 113 -0.823 -15.928 -19.062 Start of MODEL 15 1 H1 GLY 1 H GLY 1 23.772 20.639 -3.249 2 HA2 GLY 1 1HA GLY 1 24.342 18.294 -4.008 3 HA3 GLY 1 2HA GLY 1 25.723 19.378 -3.928 4 H SER 2 H SER 2 26.102 16.673 -3.784 5 HA SER 2 HA SER 2 27.299 15.151 -2.582 6 HB2 SER 2 1HB SER 2 28.344 17.365 -1.671 7 HB3 SER 2 2HB SER 2 27.406 17.004 -0.221 8 HG SER 2 HG SER 2 29.610 16.146 -0.293 9 H SER 3 H SER 3 24.532 15.001 -2.590 10 HA SER 3 HA SER 3 22.762 14.022 -1.545 11 HB2 SER 3 1HB SER 3 24.653 12.286 -1.262 12 HB3 SER 3 2HB SER 3 24.710 12.826 0.416 13 HG SER 3 HG SER 3 22.219 12.177 -0.663 14 H GLY 4 H GLY 4 23.182 16.621 -0.754 15 HA2 GLY 4 1HA GLY 4 22.476 16.508 2.114 16 HA3 GLY 4 2HA GLY 4 23.452 17.803 1.437 17 H SER 5 H SER 5 20.251 16.300 1.303 18 HA SER 5 HA SER 5 18.958 18.195 -0.271 19 HB2 SER 5 1HB SER 5 18.022 16.311 1.871 20 HB3 SER 5 2HB SER 5 16.896 17.464 1.156 21 HG SER 5 HG SER 5 18.341 16.203 -0.750 22 H SER 6 H SER 6 17.144 19.647 0.615 23 HA SER 6 HA SER 6 18.209 21.207 2.879 24 HB2 SER 6 1HB SER 6 18.467 22.376 0.715 25 HB3 SER 6 2HB SER 6 16.727 22.255 0.454 26 HG SER 6 HG SER 6 18.033 23.643 2.558 27 H GLY 7 H GLY 7 15.227 20.519 1.049 28 HA2 GLY 7 1HA GLY 7 13.417 21.537 2.921 29 HA3 GLY 7 2HA GLY 7 13.051 20.291 1.738 30 HA PRO 8 HA PRO 8 13.523 18.684 6.267 31 HB2 PRO 8 1HB PRO 8 11.051 19.147 7.290 32 HB3 PRO 8 2HB PRO 8 12.392 20.284 7.468 33 HG2 PRO 8 1HG PRO 8 10.119 20.327 5.521 34 HG3 PRO 8 2HG PRO 8 10.824 21.664 6.448 35 HD2 PRO 8 1HD PRO 8 11.414 21.227 3.841 36 HD3 PRO 8 2HD PRO 8 12.586 21.916 4.984 37 H PHE 9 H PHE 9 12.572 16.724 7.017 38 HA PHE 9 HA PHE 9 11.280 15.221 4.904 39 HB2 PHE 9 1HB PHE 9 12.884 13.874 5.846 40 HB3 PHE 9 2HB PHE 9 12.671 14.562 7.453 41 HD1 PHE 9 2HD PHE 9 10.800 13.817 8.878 42 HD2 PHE 9 1HD PHE 9 11.666 11.964 5.145 43 HE1 PHE 9 2HE PHE 9 9.436 11.876 9.529 44 HE2 PHE 9 1HE PHE 9 10.302 10.020 5.790 45 HZ PHE 9 HZ PHE 9 9.186 9.974 7.985 46 H ASP 10 H ASP 10 9.207 14.580 4.853 47 HA ASP 10 HA ASP 10 7.571 14.578 7.237 48 HB2 ASP 10 1HB ASP 10 7.213 16.592 5.037 49 HB3 ASP 10 2HB ASP 10 5.829 16.037 5.976 50 HA PRO 11 HA PRO 11 6.218 11.151 4.679 51 HB2 PRO 11 1HB PRO 11 4.779 9.947 6.641 52 HB3 PRO 11 2HB PRO 11 6.538 9.820 6.524 53 HG2 PRO 11 1HG PRO 11 4.879 11.605 8.262 54 HG3 PRO 11 2HG PRO 11 6.336 10.682 8.674 55 HD2 PRO 11 1HD PRO 11 6.396 13.336 8.141 56 HD3 PRO 11 2HD PRO 11 7.746 12.253 7.748 57 H SER 12 H SER 12 4.380 13.564 6.305 58 HA SER 12 HA SER 12 1.787 12.666 5.513 59 HB2 SER 12 1HB SER 12 2.381 14.286 7.425 60 HB3 SER 12 2HB SER 12 2.493 15.521 6.171 61 HG SER 12 HG SER 12 0.267 14.502 5.617 62 H LYS 13 H LYS 13 4.287 14.587 4.051 63 HA LYS 13 HA LYS 13 2.654 15.803 2.052 64 HB2 LYS 13 1HB LYS 13 5.632 15.318 1.929 65 HB3 LYS 13 2HB LYS 13 4.713 16.534 1.052 66 HG2 LYS 13 1HG LYS 13 5.215 16.441 4.018 67 HG3 LYS 13 2HG LYS 13 5.899 17.580 2.856 68 HD2 LYS 13 1HD LYS 13 2.940 17.306 3.352 69 HD3 LYS 13 2HD LYS 13 3.965 18.442 4.231 70 HE2 LYS 13 1HE LYS 13 4.335 19.752 2.374 71 HE3 LYS 13 2HE LYS 13 4.034 18.428 1.249 72 HZ1 LYS 13 1HZ LYS 13 2.120 20.186 2.605 73 HZ2 LYS 13 2HZ LYS 13 1.640 18.603 2.251 74 HZ3 LYS 13 3HZ LYS 13 2.132 19.637 1.005 75 H VAL 14 H VAL 14 3.476 12.651 2.523 76 HA VAL 14 HA VAL 14 3.948 11.920 -0.236 77 HB VAL 14 HB VAL 14 3.402 10.142 2.145 78 HG11 VAL 14 1HG1 VAL 14 4.770 8.565 0.536 79 HG12 VAL 14 2HG1 VAL 14 3.021 8.739 0.376 80 HG13 VAL 14 3HG1 VAL 14 4.099 9.627 -0.702 81 HG21 VAL 14 1HG2 VAL 14 5.416 11.559 2.398 82 HG22 VAL 14 2HG2 VAL 14 5.791 9.839 2.296 83 HG23 VAL 14 3HG2 VAL 14 6.046 10.882 0.897 84 H VAL 15 H VAL 15 2.396 11.647 -1.685 85 HA VAL 15 HA VAL 15 -0.357 11.211 -0.756 86 HB VAL 15 HB VAL 15 0.640 12.162 -3.445 87 HG11 VAL 15 1HG1 VAL 15 -1.466 12.095 -4.253 88 HG12 VAL 15 2HG1 VAL 15 -1.664 10.827 -3.042 89 HG13 VAL 15 3HG1 VAL 15 -2.193 12.473 -2.692 90 HG21 VAL 15 1HG2 VAL 15 0.542 14.246 -2.668 91 HG22 VAL 15 2HG2 VAL 15 -1.055 13.979 -1.970 92 HG23 VAL 15 3HG2 VAL 15 0.390 13.560 -1.050 93 H ALA 16 H ALA 16 -1.104 9.207 -0.849 94 HA ALA 16 HA ALA 16 -0.070 7.411 -2.947 95 HB1 ALA 16 1HB ALA 16 0.263 7.008 -0.321 96 HB2 ALA 16 2HB ALA 16 -1.302 6.224 -0.539 97 HB3 ALA 16 3HB ALA 16 0.089 5.694 -1.484 98 H SER 17 H SER 17 -1.493 6.616 -4.356 99 HA SER 17 HA SER 17 -4.283 6.282 -3.632 100 HB2 SER 17 1HB SER 17 -5.117 7.607 -5.532 101 HB3 SER 17 2HB SER 17 -4.210 8.613 -4.402 102 HG SER 17 HG SER 17 -3.054 7.454 -6.714 103 H GLY 18 H GLY 18 -5.529 5.353 -5.567 104 HA2 GLY 18 1HA GLY 18 -4.858 4.257 -7.827 105 HA3 GLY 18 2HA GLY 18 -3.807 3.308 -6.785 106 HA PRO 19 HA PRO 19 -8.167 1.467 -7.165 107 HB2 PRO 19 1HB PRO 19 -7.534 -0.666 -8.721 108 HB3 PRO 19 2HB PRO 19 -8.042 0.891 -9.386 109 HG2 PRO 19 1HG PRO 19 -5.282 -0.227 -9.075 110 HG3 PRO 19 2HG PRO 19 -5.987 0.647 -10.448 111 HD2 PRO 19 1HD PRO 19 -4.362 1.841 -8.641 112 HD3 PRO 19 2HD PRO 19 -5.680 2.706 -9.457 113 H GLY 20 H GLY 20 -4.947 0.101 -6.731 114 HA2 GLY 20 1HA GLY 20 -5.670 -2.311 -5.490 115 HA3 GLY 20 2HA GLY 20 -4.138 -1.476 -5.274 116 H LEU 21 H LEU 21 -5.590 0.941 -4.266 117 HA LEU 21 HA LEU 21 -5.720 0.078 -1.498 118 HB2 LEU 21 1HB LEU 21 -5.529 2.689 -2.913 119 HB3 LEU 21 2HB LEU 21 -6.174 2.667 -1.273 120 HG LEU 21 HG LEU 21 -3.534 1.388 -1.862 121 HD11 LEU 21 1HD1 LEU 21 -3.029 3.953 -0.868 122 HD12 LEU 21 2HD1 LEU 21 -4.146 4.173 -2.215 123 HD13 LEU 21 3HD1 LEU 21 -2.623 3.319 -2.463 124 HD21 LEU 21 1HD2 LEU 21 -3.205 1.493 0.394 125 HD22 LEU 21 2HD2 LEU 21 -4.963 1.356 0.359 126 HD23 LEU 21 3HD2 LEU 21 -4.205 2.933 0.588 127 H GLU 22 H GLU 22 -7.877 0.287 -3.988 128 HA GLU 22 HA GLU 22 -10.125 0.985 -2.223 129 HB2 GLU 22 1HB GLU 22 -10.109 0.815 -5.240 130 HB3 GLU 22 2HB GLU 22 -11.418 1.410 -4.230 131 HG2 GLU 22 1HG GLU 22 -9.595 3.102 -3.407 132 HG3 GLU 22 2HG GLU 22 -8.838 2.701 -4.947 133 H HIS 23 H HIS 23 -8.911 -1.443 -4.468 134 HA HIS 23 HA HIS 23 -10.342 -3.523 -3.128 135 HB2 HIS 23 1HB HIS 23 -11.790 -4.229 -4.904 136 HB3 HIS 23 2HB HIS 23 -12.112 -2.524 -4.605 137 HD1 HIS 23 1HD HIS 23 -11.996 -4.635 -7.325 138 HD2 HIS 23 2HD HIS 23 -10.118 -1.016 -6.527 139 HE1 HIS 23 1HE HIS 23 -11.369 -3.693 -9.571 140 HE2 HIS 23 2HE HIS 23 -10.158 -1.545 -9.059 141 H GLY 24 H GLY 24 -9.908 -5.672 -4.114 142 HA2 GLY 24 1HA GLY 24 -7.662 -5.730 -5.985 143 HA3 GLY 24 2HA GLY 24 -7.385 -6.396 -4.382 144 H LYS 25 H LYS 25 -7.022 -8.016 -6.512 145 HA LYS 25 HA LYS 25 -9.195 -9.942 -6.163 146 HB2 LYS 25 1HB LYS 25 -9.334 -8.516 -8.364 147 HB3 LYS 25 2HB LYS 25 -8.047 -9.586 -8.906 148 HG2 LYS 25 1HG LYS 25 -9.545 -11.516 -8.327 149 HG3 LYS 25 2HG LYS 25 -10.836 -10.339 -8.073 150 HD2 LYS 25 1HD LYS 25 -10.142 -9.523 -10.466 151 HD3 LYS 25 2HD LYS 25 -9.467 -11.148 -10.601 152 HE2 LYS 25 1HE LYS 25 -11.617 -11.410 -11.432 153 HE3 LYS 25 2HE LYS 25 -11.781 -11.925 -9.754 154 HZ1 LYS 25 1HZ LYS 25 -12.575 -9.659 -9.235 155 HZ2 LYS 25 2HZ LYS 25 -13.590 -10.489 -10.304 156 HZ3 LYS 25 3HZ LYS 25 -12.548 -9.291 -10.887 157 H VAL 26 H VAL 26 -8.520 -12.019 -6.013 158 HA VAL 26 HA VAL 26 -5.907 -12.648 -5.388 159 HB VAL 26 HB VAL 26 -8.078 -14.450 -6.459 160 HG11 VAL 26 1HG1 VAL 26 -6.353 -15.867 -6.816 161 HG12 VAL 26 2HG1 VAL 26 -5.277 -15.009 -5.712 162 HG13 VAL 26 3HG1 VAL 26 -6.493 -16.117 -5.076 163 HG21 VAL 26 1HG2 VAL 26 -8.848 -14.607 -4.359 164 HG22 VAL 26 2HG2 VAL 26 -7.228 -14.666 -3.665 165 HG23 VAL 26 3HG2 VAL 26 -7.953 -13.113 -4.082 166 H GLY 27 H GLY 27 -4.141 -12.550 -6.604 167 HA2 GLY 27 1HA GLY 27 -2.794 -13.447 -8.356 168 HA3 GLY 27 2HA GLY 27 -4.246 -13.659 -9.322 169 H GLU 28 H GLU 28 -5.212 -10.944 -8.670 170 HA GLU 28 HA GLU 28 -4.012 -9.584 -10.854 171 HB2 GLU 28 1HB GLU 28 -6.115 -8.963 -8.842 172 HB3 GLU 28 2HB GLU 28 -5.378 -7.610 -9.690 173 HG2 GLU 28 1HG GLU 28 -6.733 -9.966 -10.982 174 HG3 GLU 28 2HG GLU 28 -7.423 -8.357 -10.782 175 H ALA 29 H ALA 29 -3.476 -7.101 -10.396 176 HA ALA 29 HA ALA 29 -1.507 -7.019 -8.205 177 HB1 ALA 29 1HB ALA 29 -0.546 -5.320 -10.196 178 HB2 ALA 29 2HB ALA 29 0.103 -6.893 -9.731 179 HB3 ALA 29 3HB ALA 29 -1.069 -6.775 -11.044 180 H GLY 30 H GLY 30 -2.060 -5.517 -6.775 181 HA2 GLY 30 1HA GLY 30 -3.965 -3.473 -7.336 182 HA3 GLY 30 2HA GLY 30 -3.033 -3.644 -5.856 183 H LEU 31 H LEU 31 -3.404 -1.934 -8.778 184 HA LEU 31 HA LEU 31 -0.807 -0.860 -9.061 185 HB2 LEU 31 1HB LEU 31 -3.453 0.340 -9.866 186 HB3 LEU 31 2HB LEU 31 -1.869 0.846 -10.449 187 HG LEU 31 HG LEU 31 -3.069 -1.879 -10.934 188 HD11 LEU 31 1HD1 LEU 31 -3.837 0.551 -12.073 189 HD12 LEU 31 2HD1 LEU 31 -4.206 -1.071 -12.658 190 HD13 LEU 31 3HD1 LEU 31 -2.787 -0.216 -13.265 191 HD21 LEU 31 1HD2 LEU 31 -0.867 -2.269 -11.292 192 HD22 LEU 31 2HD2 LEU 31 -0.497 -0.569 -11.582 193 HD23 LEU 31 3HD2 LEU 31 -1.239 -1.540 -12.854 194 H LEU 32 H LEU 32 0.241 0.515 -7.797 195 HA LEU 32 HA LEU 32 -1.294 2.494 -6.261 196 HB2 LEU 32 1HB LEU 32 1.037 0.909 -5.192 197 HB3 LEU 32 2HB LEU 32 0.136 2.155 -4.330 198 HG LEU 32 HG LEU 32 -0.984 -0.502 -5.221 199 HD11 LEU 32 1HD1 LEU 32 0.596 0.232 -2.939 200 HD12 LEU 32 2HD1 LEU 32 -0.026 -1.349 -3.410 201 HD13 LEU 32 3HD1 LEU 32 -1.018 -0.267 -2.433 202 HD21 LEU 32 1HD2 LEU 32 -2.165 1.651 -3.468 203 HD22 LEU 32 2HD2 LEU 32 -2.907 0.100 -3.861 204 HD23 LEU 32 3HD2 LEU 32 -2.647 1.300 -5.128 205 H SER 33 H SER 33 -0.490 4.509 -6.318 206 HA SER 33 HA SER 33 2.233 4.878 -7.380 207 HB2 SER 33 1HB SER 33 0.158 5.428 -8.911 208 HB3 SER 33 2HB SER 33 0.097 6.899 -7.942 209 HG SER 33 HG SER 33 2.224 5.960 -9.559 210 H VAL 34 H VAL 34 3.522 6.199 -6.251 211 HA VAL 34 HA VAL 34 2.297 7.804 -4.102 212 HB VAL 34 HB VAL 34 5.020 6.493 -4.113 213 HG11 VAL 34 1HG1 VAL 34 5.599 7.749 -2.366 214 HG12 VAL 34 2HG1 VAL 34 4.221 8.777 -2.765 215 HG13 VAL 34 3HG1 VAL 34 4.046 7.490 -1.572 216 HG21 VAL 34 1HG2 VAL 34 2.975 5.834 -2.081 217 HG22 VAL 34 2HG2 VAL 34 2.704 5.213 -3.709 218 HG23 VAL 34 3HG2 VAL 34 4.187 4.807 -2.846 219 H ASP 35 H ASP 35 2.418 9.906 -4.487 220 HA ASP 35 HA ASP 35 4.494 10.942 -6.261 221 HB2 ASP 35 1HB ASP 35 1.942 11.505 -6.364 222 HB3 ASP 35 2HB ASP 35 2.324 12.628 -5.061 223 H CYS 36 H CYS 36 6.356 11.408 -5.280 224 HA CYS 36 HA CYS 36 6.299 12.573 -2.589 225 HB2 CYS 36 1HB CYS 36 8.353 11.060 -4.156 226 HB3 CYS 36 2HB CYS 36 8.876 12.133 -2.864 227 HG CYS 36 HG CYS 36 7.214 10.794 -0.944 228 H SER 37 H SER 37 6.450 14.701 -2.427 229 HA SER 37 HA SER 37 7.980 16.164 -4.479 230 HB2 SER 37 1HB SER 37 5.341 16.765 -3.201 231 HB3 SER 37 2HB SER 37 6.376 18.105 -3.694 232 HG SER 37 HG SER 37 6.448 17.024 -5.798 233 H GLU 38 H GLU 38 6.582 16.979 -1.305 234 HA GLU 38 HA GLU 38 9.180 18.125 -0.552 235 HB2 GLU 38 1HB GLU 38 6.355 18.708 0.265 236 HB3 GLU 38 2HB GLU 38 7.683 19.145 1.332 237 HG2 GLU 38 1HG GLU 38 8.598 20.632 -0.251 238 HG3 GLU 38 2HG GLU 38 7.571 20.007 -1.540 239 H ALA 39 H ALA 39 7.795 15.275 -0.289 240 HA ALA 39 HA ALA 39 7.580 14.598 2.386 241 HB1 ALA 39 1HB ALA 39 8.638 12.329 1.333 242 HB2 ALA 39 2HB ALA 39 6.944 12.802 1.200 243 HB3 ALA 39 3HB ALA 39 8.062 13.149 -0.119 244 H GLY 40 H GLY 40 10.382 15.452 0.597 245 HA2 GLY 40 1HA GLY 40 12.534 15.831 1.343 246 HA3 GLY 40 2HA GLY 40 12.017 15.338 2.948 247 HA PRO 41 HA PRO 41 14.915 12.094 1.443 248 HB2 PRO 41 1HB PRO 41 16.108 11.737 3.856 249 HB3 PRO 41 2HB PRO 41 16.608 12.989 2.713 250 HG2 PRO 41 1HG PRO 41 14.854 13.220 5.127 251 HG3 PRO 41 2HG PRO 41 16.146 14.302 4.575 252 HD2 PRO 41 1HD PRO 41 13.524 14.832 4.157 253 HD3 PRO 41 2HD PRO 41 14.792 15.330 3.019 254 H GLY 42 H GLY 42 15.463 9.961 2.841 255 HA2 GLY 42 1HA GLY 42 14.536 8.345 4.387 256 HA3 GLY 42 2HA GLY 42 12.950 9.033 4.073 257 H ALA 43 H ALA 43 13.495 6.290 3.920 258 HA ALA 43 HA ALA 43 13.464 5.758 1.026 259 HB1 ALA 43 1HB ALA 43 15.178 4.508 2.101 260 HB2 ALA 43 2HB ALA 43 14.075 3.961 3.364 261 HB3 ALA 43 3HB ALA 43 13.879 3.381 1.710 262 H LEU 44 H LEU 44 11.796 4.618 0.085 263 HA LEU 44 HA LEU 44 9.306 4.592 1.601 264 HB2 LEU 44 1HB LEU 44 9.299 5.652 -0.582 265 HB3 LEU 44 2HB LEU 44 9.867 4.160 -1.330 266 HG LEU 44 HG LEU 44 7.731 3.078 -0.682 267 HD11 LEU 44 1HD1 LEU 44 6.170 4.064 0.577 268 HD12 LEU 44 2HD1 LEU 44 6.351 5.615 -0.242 269 HD13 LEU 44 3HD1 LEU 44 7.459 5.169 1.056 270 HD21 LEU 44 1HD2 LEU 44 6.448 5.042 -2.180 271 HD22 LEU 44 2HD2 LEU 44 7.275 3.609 -2.792 272 HD23 LEU 44 3HD2 LEU 44 8.142 5.140 -2.660 273 H GLY 45 H GLY 45 7.952 2.771 1.759 274 HA2 GLY 45 1HA GLY 45 8.711 0.215 0.731 275 HA3 GLY 45 2HA GLY 45 9.122 0.370 2.432 276 H LEU 46 H LEU 46 7.117 -1.305 0.938 277 HA LEU 46 HA LEU 46 4.781 -0.555 2.566 278 HB2 LEU 46 1HB LEU 46 4.298 -0.079 0.244 279 HB3 LEU 46 2HB LEU 46 4.800 -1.703 -0.221 280 HG LEU 46 HG LEU 46 2.873 -2.530 1.239 281 HD11 LEU 46 1HD1 LEU 46 1.014 -0.686 1.194 282 HD12 LEU 46 2HD1 LEU 46 2.394 0.411 1.241 283 HD13 LEU 46 3HD1 LEU 46 2.165 -0.772 2.529 284 HD21 LEU 46 1HD2 LEU 46 3.054 -2.029 -1.397 285 HD22 LEU 46 2HD2 LEU 46 1.694 -0.986 -0.981 286 HD23 LEU 46 3HD2 LEU 46 1.621 -2.714 -0.629 287 H GLU 47 H GLU 47 3.408 -2.348 3.200 288 HA GLU 47 HA GLU 47 4.685 -4.985 3.078 289 HB2 GLU 47 1HB GLU 47 5.384 -3.980 5.197 290 HB3 GLU 47 2HB GLU 47 3.707 -3.657 5.612 291 HG2 GLU 47 1HG GLU 47 4.025 -5.564 6.794 292 HG3 GLU 47 2HG GLU 47 3.480 -6.259 5.268 293 H ALA 48 H ALA 48 3.231 -6.229 2.107 294 HA ALA 48 HA ALA 48 0.379 -5.768 2.580 295 HB1 ALA 48 1HB ALA 48 -0.047 -6.997 0.605 296 HB2 ALA 48 2HB ALA 48 1.327 -5.950 0.247 297 HB3 ALA 48 3HB ALA 48 1.587 -7.662 0.580 298 H VAL 49 H VAL 49 -0.645 -6.945 4.047 299 HA VAL 49 HA VAL 49 0.003 -9.774 4.350 300 HB VAL 49 HB VAL 49 0.081 -7.797 6.627 301 HG11 VAL 49 1HG1 VAL 49 0.389 -9.805 8.078 302 HG12 VAL 49 2HG1 VAL 49 -1.229 -9.647 7.392 303 HG13 VAL 49 3HG1 VAL 49 -0.088 -10.804 6.706 304 HG21 VAL 49 1HG2 VAL 49 2.206 -7.930 5.640 305 HG22 VAL 49 2HG2 VAL 49 2.285 -9.028 7.018 306 HG23 VAL 49 3HG2 VAL 49 2.076 -9.671 5.390 307 H SER 50 H SER 50 -1.721 -11.029 4.920 308 HA SER 50 HA SER 50 -4.313 -9.668 5.009 309 HB2 SER 50 1HB SER 50 -5.282 -11.645 4.188 310 HB3 SER 50 2HB SER 50 -3.734 -11.564 3.348 311 HG SER 50 HG SER 50 -2.905 -13.047 4.846 312 H ASP 51 H ASP 51 -6.006 -10.670 6.411 313 HA ASP 51 HA ASP 51 -5.299 -10.550 9.094 314 HB2 ASP 51 1HB ASP 51 -7.615 -10.302 8.108 315 HB3 ASP 51 2HB ASP 51 -7.683 -12.059 8.016 316 H SER 52 H SER 52 -5.152 -13.197 6.877 317 HA SER 52 HA SER 52 -5.053 -15.262 8.868 318 HB2 SER 52 1HB SER 52 -4.307 -15.282 5.934 319 HB3 SER 52 2HB SER 52 -4.362 -16.713 6.963 320 HG SER 52 HG SER 52 -6.534 -16.529 7.122 321 H GLY 53 H GLY 53 -2.805 -13.054 7.507 322 HA2 GLY 53 1HA GLY 53 -0.665 -12.639 8.395 323 HA3 GLY 53 2HA GLY 53 -0.681 -14.238 9.123 324 H THR 54 H THR 54 -1.216 -13.245 5.756 325 HA THR 54 HA THR 54 1.114 -14.889 5.006 326 HB THR 54 HB THR 54 -1.143 -14.475 3.089 327 HG1 THR 54 1HG THR 54 -1.192 -16.033 5.417 328 HG21 THR 54 1HG2 THR 54 0.693 -16.820 3.589 329 HG22 THR 54 2HG2 THR 54 0.987 -15.549 2.402 330 HG23 THR 54 3HG2 THR 54 -0.410 -16.611 2.229 331 H LYS 55 H LYS 55 2.654 -13.389 4.633 332 HA LYS 55 HA LYS 55 2.293 -10.806 3.661 333 HB2 LYS 55 1HB LYS 55 4.715 -12.579 3.297 334 HB3 LYS 55 2HB LYS 55 4.690 -10.826 3.161 335 HG2 LYS 55 1HG LYS 55 4.296 -10.555 5.474 336 HG3 LYS 55 2HG LYS 55 3.926 -12.269 5.683 337 HD2 LYS 55 1HD LYS 55 6.256 -12.816 5.092 338 HD3 LYS 55 2HD LYS 55 6.610 -11.092 4.957 339 HE2 LYS 55 1HE LYS 55 7.316 -11.531 7.102 340 HE3 LYS 55 2HE LYS 55 5.658 -11.004 7.388 341 HZ1 LYS 55 1HZ LYS 55 5.539 -12.902 8.547 342 HZ2 LYS 55 2HZ LYS 55 6.856 -13.611 7.759 343 HZ3 LYS 55 3HZ LYS 55 5.327 -13.634 7.037 344 H ALA 56 H ALA 56 1.715 -10.046 1.742 345 HA ALA 56 HA ALA 56 1.533 -11.839 -0.529 346 HB1 ALA 56 1HB ALA 56 0.815 -9.230 -1.303 347 HB2 ALA 56 2HB ALA 56 -0.251 -10.590 -0.948 348 HB3 ALA 56 3HB ALA 56 0.196 -9.462 0.332 349 H GLU 57 H GLU 57 2.245 -11.056 -2.700 350 HA GLU 57 HA GLU 57 5.028 -10.359 -2.585 351 HB2 GLU 57 1HB GLU 57 4.522 -11.952 -4.229 352 HB3 GLU 57 2HB GLU 57 3.120 -11.057 -4.796 353 HG2 GLU 57 1HG GLU 57 4.366 -9.632 -6.074 354 HG3 GLU 57 2HG GLU 57 5.802 -9.807 -5.066 355 H VAL 58 H VAL 58 5.703 -8.336 -2.383 356 HA VAL 58 HA VAL 58 4.188 -6.204 -3.745 357 HB VAL 58 HB VAL 58 5.806 -5.991 -1.201 358 HG11 VAL 58 1HG1 VAL 58 4.471 -3.949 -2.937 359 HG12 VAL 58 2HG1 VAL 58 4.661 -3.673 -1.205 360 HG13 VAL 58 3HG1 VAL 58 6.082 -3.923 -2.221 361 HG21 VAL 58 1HG2 VAL 58 3.563 -7.126 -1.054 362 HG22 VAL 58 2HG2 VAL 58 3.747 -5.685 -0.054 363 HG23 VAL 58 3HG2 VAL 58 2.842 -5.600 -1.565 364 H SER 59 H SER 59 5.363 -4.530 -4.733 365 HA SER 59 HA SER 59 8.259 -4.749 -4.874 366 HB2 SER 59 1HB SER 59 7.469 -6.259 -6.659 367 HB3 SER 59 2HB SER 59 6.535 -4.937 -7.358 368 HG SER 59 HG SER 59 8.441 -4.981 -8.454 369 H ILE 60 H ILE 60 9.272 -2.845 -5.422 370 HA ILE 60 HA ILE 60 7.509 -0.533 -5.907 371 HB ILE 60 HB ILE 60 10.007 -0.624 -4.213 372 HG12 ILE 60 1HG1 ILE 60 7.228 0.161 -3.354 373 HG13 ILE 60 2HG1 ILE 60 7.772 -1.512 -3.300 374 HG21 ILE 60 1HG2 ILE 60 8.821 1.820 -3.807 375 HG22 ILE 60 2HG2 ILE 60 10.243 1.516 -4.803 376 HG23 ILE 60 3HG2 ILE 60 8.645 1.578 -5.545 377 HD11 ILE 60 1HD1 ILE 60 7.946 -0.107 -1.173 378 HD12 ILE 60 2HD1 ILE 60 9.346 -1.069 -1.648 379 HD13 ILE 60 3HD1 ILE 60 9.322 0.667 -1.958 380 H GLN 61 H GLN 61 8.124 0.930 -7.433 381 HA GLN 61 HA GLN 61 10.714 0.506 -8.760 382 HB2 GLN 61 1HB GLN 61 8.511 -0.383 -9.928 383 HB3 GLN 61 2HB GLN 61 8.346 1.306 -10.390 384 HG2 GLN 61 1HG GLN 61 9.466 0.398 -12.185 385 HG3 GLN 61 2HG GLN 61 10.776 1.079 -11.222 386 HE21 GLN 61 1HE2 GLN 61 10.937 -1.017 -13.178 387 HE22 GLN 61 2HE2 GLN 61 11.524 -2.423 -12.363 388 H ASN 62 H ASN 62 11.889 2.293 -8.722 389 HA ASN 62 HA ASN 62 10.682 4.839 -8.091 390 HB2 ASN 62 1HB ASN 62 13.579 4.271 -8.740 391 HB3 ASN 62 2HB ASN 62 12.931 5.665 -7.880 392 HD21 ASN 62 1HD2 ASN 62 14.628 4.911 -6.349 393 HD22 ASN 62 2HD2 ASN 62 14.163 3.754 -5.153 394 H ASN 63 H ASN 63 10.793 6.717 -9.363 395 HA ASN 63 HA ASN 63 11.413 6.293 -12.208 396 HB2 ASN 63 1HB ASN 63 8.971 7.641 -11.042 397 HB3 ASN 63 2HB ASN 63 9.444 7.776 -12.733 398 HD21 ASN 63 1HD2 ASN 63 7.806 5.945 -10.417 399 HD22 ASN 63 2HD2 ASN 63 7.431 4.579 -11.406 400 H LYS 64 H LYS 64 11.519 8.457 -13.394 401 HA LYS 64 HA LYS 64 13.353 10.150 -11.943 402 HB2 LYS 64 1HB LYS 64 13.605 9.433 -14.374 403 HB3 LYS 64 2HB LYS 64 12.323 10.579 -14.746 404 HG2 LYS 64 1HG LYS 64 13.641 12.420 -14.096 405 HG3 LYS 64 2HG LYS 64 14.836 11.383 -13.312 406 HD2 LYS 64 1HD LYS 64 14.273 11.171 -16.253 407 HD3 LYS 64 2HD LYS 64 15.405 12.368 -15.619 408 HE2 LYS 64 1HE LYS 64 15.576 9.396 -15.134 409 HE3 LYS 64 2HE LYS 64 16.506 10.275 -16.346 410 HZ1 LYS 64 1HZ LYS 64 18.015 10.522 -14.749 411 HZ2 LYS 64 2HZ LYS 64 16.949 10.046 -13.526 412 HZ3 LYS 64 3HZ LYS 64 16.970 11.654 -14.050 413 H ASP 65 H ASP 65 10.060 10.038 -12.196 414 HA ASP 65 HA ASP 65 9.660 12.929 -12.192 415 HB2 ASP 65 1HB ASP 65 7.579 10.748 -11.947 416 HB3 ASP 65 2HB ASP 65 7.299 12.448 -12.315 417 H GLY 66 H GLY 66 10.630 10.788 -9.978 418 HA2 GLY 66 1HA GLY 66 10.838 11.066 -7.684 419 HA3 GLY 66 2HA GLY 66 9.748 12.441 -7.782 420 H THR 67 H THR 67 8.413 9.808 -9.353 421 HA THR 67 HA THR 67 6.675 9.278 -7.049 422 HB THR 67 HB THR 67 5.123 8.272 -8.726 423 HG1 THR 67 1HG THR 67 5.692 8.142 -10.781 424 HG21 THR 67 1HG2 THR 67 5.388 10.847 -8.050 425 HG22 THR 67 2HG2 THR 67 4.170 10.285 -9.194 426 HG23 THR 67 3HG2 THR 67 5.677 10.984 -9.783 427 H TYR 68 H TYR 68 5.839 7.028 -6.841 428 HA TYR 68 HA TYR 68 7.869 5.034 -7.600 429 HB2 TYR 68 1HB TYR 68 6.469 5.279 -4.930 430 HB3 TYR 68 2HB TYR 68 7.517 3.945 -5.400 431 HD1 TYR 68 2HD TYR 68 7.469 7.610 -4.810 432 HD2 TYR 68 1HD TYR 68 9.846 4.096 -5.127 433 HE1 TYR 68 2HE TYR 68 9.419 8.863 -3.988 434 HE2 TYR 68 1HE TYR 68 11.803 5.338 -4.304 435 HH TYR 68 HH TYR 68 12.546 7.265 -3.476 436 H ALA 69 H ALA 69 7.116 3.162 -8.410 437 HA ALA 69 HA ALA 69 4.210 2.886 -8.666 438 HB1 ALA 69 1HB ALA 69 6.336 1.348 -10.145 439 HB2 ALA 69 2HB ALA 69 4.620 1.470 -10.539 440 HB3 ALA 69 3HB ALA 69 5.666 2.881 -10.704 441 H VAL 70 H VAL 70 3.589 1.944 -6.752 442 HA VAL 70 HA VAL 70 4.910 -0.534 -5.923 443 HB VAL 70 HB VAL 70 2.945 1.283 -4.545 444 HG11 VAL 70 1HG1 VAL 70 3.247 -0.369 -2.606 445 HG12 VAL 70 2HG1 VAL 70 2.135 -0.813 -3.902 446 HG13 VAL 70 3HG1 VAL 70 3.749 -1.521 -3.842 447 HG21 VAL 70 1HG2 VAL 70 5.234 0.535 -3.008 448 HG22 VAL 70 2HG2 VAL 70 5.760 1.093 -4.596 449 HG23 VAL 70 3HG2 VAL 70 4.758 2.133 -3.584 450 H THR 71 H THR 71 3.917 -2.496 -5.910 451 HA THR 71 HA THR 71 1.092 -2.677 -6.628 452 HB THR 71 HB THR 71 2.949 -4.486 -8.108 453 HG1 THR 71 1HG THR 71 3.064 -2.904 -9.787 454 HG21 THR 71 1HG2 THR 71 1.093 -4.076 -9.845 455 HG22 THR 71 2HG2 THR 71 0.204 -3.336 -8.514 456 HG23 THR 71 3HG2 THR 71 0.692 -5.027 -8.416 457 H TYR 72 H TYR 72 0.099 -4.622 -6.028 458 HA TYR 72 HA TYR 72 1.745 -6.560 -4.570 459 HB2 TYR 72 1HB TYR 72 0.402 -6.512 -2.630 460 HB3 TYR 72 2HB TYR 72 0.697 -4.821 -3.017 461 HD1 TYR 72 2HD TYR 72 -1.819 -7.532 -3.252 462 HD2 TYR 72 1HD TYR 72 -1.093 -3.344 -3.445 463 HE1 TYR 72 2HE TYR 72 -4.244 -7.118 -3.264 464 HE2 TYR 72 1HE TYR 72 -3.516 -2.918 -3.456 465 HH TYR 72 HH TYR 72 -5.551 -3.851 -3.102 466 H VAL 73 H VAL 73 1.117 -8.641 -4.803 467 HA VAL 73 HA VAL 73 -1.350 -9.125 -6.343 468 HB VAL 73 HB VAL 73 1.271 -10.615 -6.369 469 HG11 VAL 73 1HG1 VAL 73 0.064 -12.062 -8.095 470 HG12 VAL 73 2HG1 VAL 73 -0.305 -12.350 -6.393 471 HG13 VAL 73 3HG1 VAL 73 -1.428 -11.433 -7.398 472 HG21 VAL 73 1HG2 VAL 73 0.957 -8.539 -7.772 473 HG22 VAL 73 2HG2 VAL 73 1.399 -10.001 -8.654 474 HG23 VAL 73 3HG2 VAL 73 -0.271 -9.434 -8.668 475 HA PRO 74 HA PRO 74 -2.374 -11.141 -2.424 476 HB2 PRO 74 1HB PRO 74 -5.036 -11.265 -2.941 477 HB3 PRO 74 2HB PRO 74 -4.242 -9.806 -2.335 478 HG2 PRO 74 1HG PRO 74 -5.035 -10.506 -5.135 479 HG3 PRO 74 2HG PRO 74 -5.208 -8.965 -4.276 480 HD2 PRO 74 1HD PRO 74 -3.216 -9.428 -6.050 481 HD3 PRO 74 2HD PRO 74 -3.010 -8.373 -4.638 482 H LEU 75 H LEU 75 -2.001 -13.254 -2.245 483 HA LEU 75 HA LEU 75 -2.447 -15.076 -4.410 484 HB2 LEU 75 1HB LEU 75 -1.606 -15.524 -1.552 485 HB3 LEU 75 2HB LEU 75 -1.668 -16.788 -2.779 486 HG LEU 75 HG LEU 75 0.129 -14.363 -2.830 487 HD11 LEU 75 1HD1 LEU 75 1.148 -17.143 -2.669 488 HD12 LEU 75 2HD1 LEU 75 0.477 -16.427 -1.204 489 HD13 LEU 75 3HD1 LEU 75 1.825 -15.645 -2.029 490 HD21 LEU 75 1HD2 LEU 75 -0.528 -15.082 -5.069 491 HD22 LEU 75 2HD2 LEU 75 -0.035 -16.733 -4.691 492 HD23 LEU 75 3HD2 LEU 75 1.169 -15.446 -4.756 493 H THR 76 H THR 76 -4.087 -14.266 -1.422 494 HA THR 76 HA THR 76 -6.258 -16.105 -2.188 495 HB THR 76 HB THR 76 -5.211 -17.067 -0.247 496 HG1 THR 76 1HG THR 76 -7.428 -15.739 0.878 497 HG21 THR 76 1HG2 THR 76 -5.199 -15.718 1.911 498 HG22 THR 76 2HG2 THR 76 -5.440 -14.293 0.901 499 HG23 THR 76 3HG2 THR 76 -3.992 -15.279 0.704 500 H ALA 77 H ALA 77 -8.375 -15.410 -1.772 501 HA ALA 77 HA ALA 77 -8.715 -12.551 -1.850 502 HB1 ALA 77 1HB ALA 77 -10.358 -13.298 -3.168 503 HB2 ALA 77 2HB ALA 77 -10.335 -14.904 -2.439 504 HB3 ALA 77 3HB ALA 77 -11.242 -13.601 -1.672 505 H GLY 78 H GLY 78 -9.828 -11.268 -0.363 506 HA2 GLY 78 1HA GLY 78 -11.278 -11.710 1.799 507 HA3 GLY 78 2HA GLY 78 -9.719 -12.282 2.377 508 H MET 79 H MET 79 -10.085 -10.562 3.997 509 HA MET 79 HA MET 79 -9.771 -7.834 3.058 510 HB2 MET 79 1HB MET 79 -10.098 -9.045 5.800 511 HB3 MET 79 2HB MET 79 -9.798 -7.331 5.549 512 HG2 MET 79 1HG MET 79 -12.125 -8.827 4.371 513 HG3 MET 79 2HG MET 79 -12.185 -7.925 5.884 514 HE1 MET 79 1HE MET 79 -11.835 -4.293 4.915 515 HE2 MET 79 2HE MET 79 -11.517 -5.544 6.117 516 HE3 MET 79 3HE MET 79 -10.299 -5.161 4.900 517 H TYR 80 H TYR 80 -7.827 -7.070 2.582 518 HA TYR 80 HA TYR 80 -5.468 -8.239 3.864 519 HB2 TYR 80 1HB TYR 80 -5.981 -6.827 1.299 520 HB3 TYR 80 2HB TYR 80 -4.399 -6.598 2.035 521 HD1 TYR 80 1HD TYR 80 -2.962 -8.607 2.487 522 HD2 TYR 80 2HD TYR 80 -6.528 -8.837 0.179 523 HE1 TYR 80 1HE TYR 80 -2.211 -10.754 1.552 524 HE2 TYR 80 2HE TYR 80 -5.787 -10.985 -0.763 525 HH TYR 80 HH TYR 80 -3.775 -12.912 0.411 526 H THR 81 H THR 81 -3.673 -6.723 4.409 527 HA THR 81 HA THR 81 -4.693 -4.161 5.445 528 HB THR 81 HB THR 81 -2.758 -5.995 6.873 529 HG1 THR 81 1HG THR 81 -5.333 -5.263 7.788 530 HG21 THR 81 1HG2 THR 81 -3.929 -3.312 7.599 531 HG22 THR 81 2HG2 THR 81 -2.226 -3.723 7.392 532 HG23 THR 81 3HG2 THR 81 -3.132 -4.376 8.757 533 H LEU 82 H LEU 82 -3.778 -2.832 3.945 534 HA LEU 82 HA LEU 82 -1.051 -3.159 3.087 535 HB2 LEU 82 1HB LEU 82 -2.681 -0.687 2.652 536 HB3 LEU 82 2HB LEU 82 -1.432 -1.387 1.624 537 HG LEU 82 HG LEU 82 -4.122 -2.673 2.051 538 HD11 LEU 82 1HD1 LEU 82 -4.376 -1.748 -0.399 539 HD12 LEU 82 2HD1 LEU 82 -3.274 -0.508 0.197 540 HD13 LEU 82 3HD1 LEU 82 -4.823 -0.770 0.999 541 HD21 LEU 82 1HD2 LEU 82 -3.073 -4.359 1.035 542 HD22 LEU 82 2HD2 LEU 82 -1.686 -3.354 0.615 543 HD23 LEU 82 3HD2 LEU 82 -3.115 -3.362 -0.419 544 H THR 83 H THR 83 0.664 -2.488 4.175 545 HA THR 83 HA THR 83 0.367 -0.188 5.997 546 HB THR 83 HB THR 83 2.221 -2.550 6.360 547 HG1 THR 83 1HG THR 83 0.764 -3.305 7.776 548 HG21 THR 83 1HG2 THR 83 1.622 -0.608 8.526 549 HG22 THR 83 2HG2 THR 83 2.725 -0.093 7.250 550 HG23 THR 83 3HG2 THR 83 3.091 -1.528 8.207 551 H MET 84 H MET 84 1.298 1.500 5.025 552 HA MET 84 HA MET 84 3.834 1.080 3.598 553 HB2 MET 84 1HB MET 84 1.973 2.074 2.292 554 HB3 MET 84 2HB MET 84 1.932 3.423 3.419 555 HG2 MET 84 1HG MET 84 3.215 4.349 1.804 556 HG3 MET 84 2HG MET 84 4.485 3.580 2.754 557 HE1 MET 84 1HE MET 84 3.166 3.929 -0.923 558 HE2 MET 84 2HE MET 84 2.831 2.239 -1.298 559 HE3 MET 84 3HE MET 84 1.934 3.052 -0.015 560 H LYS 85 H LYS 85 5.624 2.348 4.047 561 HA LYS 85 HA LYS 85 5.443 4.264 6.248 562 HB2 LYS 85 1HB LYS 85 6.935 1.689 6.278 563 HB3 LYS 85 2HB LYS 85 7.721 3.088 6.998 564 HG2 LYS 85 1HG LYS 85 5.371 3.325 8.198 565 HG3 LYS 85 2HG LYS 85 5.323 1.588 7.884 566 HD2 LYS 85 1HD LYS 85 7.774 1.704 8.869 567 HD3 LYS 85 2HD LYS 85 7.141 3.159 9.642 568 HE2 LYS 85 1HE LYS 85 5.199 1.721 10.419 569 HE3 LYS 85 2HE LYS 85 6.150 0.330 9.899 570 HZ1 LYS 85 1HZ LYS 85 6.287 1.595 12.331 571 HZ2 LYS 85 2HZ LYS 85 7.688 2.087 11.523 572 HZ3 LYS 85 3HZ LYS 85 7.369 0.440 11.733 573 H TYR 86 H TYR 86 6.521 6.058 5.768 574 HA TYR 86 HA TYR 86 8.643 5.906 3.728 575 HB2 TYR 86 1HB TYR 86 6.522 7.183 3.150 576 HB3 TYR 86 2HB TYR 86 6.996 8.351 4.378 577 HD1 TYR 86 1HD TYR 86 9.084 9.674 4.079 578 HD2 TYR 86 2HD TYR 86 7.553 7.162 1.005 579 HE1 TYR 86 1HE TYR 86 10.486 10.845 2.432 580 HE2 TYR 86 2HE TYR 86 8.951 8.325 -0.650 581 HH TYR 86 HH TYR 86 11.462 9.917 -0.145 582 H GLY 87 H GLY 87 10.580 6.035 4.652 583 HA2 GLY 87 1HA GLY 87 12.342 6.927 5.836 584 HA3 GLY 87 2HA GLY 87 11.325 8.315 6.193 585 H GLY 88 H GLY 88 10.251 5.113 7.011 586 HA2 GLY 88 1HA GLY 88 10.287 3.974 9.048 587 HA3 GLY 88 2HA GLY 88 11.229 5.287 9.738 588 H GLU 89 H GLU 89 8.631 6.589 8.127 589 HA GLU 89 HA GLU 89 6.990 6.601 10.575 590 HB2 GLU 89 1HB GLU 89 7.374 8.890 8.637 591 HB3 GLU 89 2HB GLU 89 6.368 8.913 10.079 592 HG2 GLU 89 1HG GLU 89 8.658 8.255 11.233 593 HG3 GLU 89 2HG GLU 89 9.314 9.068 9.813 594 H LEU 90 H LEU 90 4.870 6.170 10.354 595 HA LEU 90 HA LEU 90 3.895 5.023 7.976 596 HB2 LEU 90 1HB LEU 90 2.762 5.764 10.611 597 HB3 LEU 90 2HB LEU 90 1.623 5.513 9.289 598 HG LEU 90 HG LEU 90 3.643 3.476 10.223 599 HD11 LEU 90 1HD1 LEU 90 1.817 2.339 11.292 600 HD12 LEU 90 2HD1 LEU 90 0.674 3.560 10.733 601 HD13 LEU 90 3HD1 LEU 90 1.909 3.986 11.918 602 HD21 LEU 90 1HD2 LEU 90 1.820 3.660 7.951 603 HD22 LEU 90 2HD2 LEU 90 1.626 2.182 8.893 604 HD23 LEU 90 3HD2 LEU 90 3.201 2.596 8.215 605 H VAL 91 H VAL 91 2.333 5.740 6.503 606 HA VAL 91 HA VAL 91 2.313 8.637 6.128 607 HB VAL 91 HB VAL 91 1.050 7.776 3.940 608 HG11 VAL 91 1HG1 VAL 91 3.991 7.318 3.964 609 HG12 VAL 91 2HG1 VAL 91 2.995 8.209 2.811 610 HG13 VAL 91 3HG1 VAL 91 3.380 8.919 4.379 611 HG21 VAL 91 1HG2 VAL 91 2.902 5.474 4.451 612 HG22 VAL 91 2HG2 VAL 91 1.204 5.403 4.921 613 HG23 VAL 91 3HG2 VAL 91 1.641 5.634 3.228 614 HA PRO 92 HA PRO 92 -1.889 9.284 7.213 615 HB2 PRO 92 1HB PRO 92 -2.728 11.025 5.307 616 HB3 PRO 92 2HB PRO 92 -1.612 11.481 6.600 617 HG2 PRO 92 1HG PRO 92 -1.021 10.750 3.758 618 HG3 PRO 92 2HG PRO 92 -0.337 12.056 4.743 619 HD2 PRO 92 1HD PRO 92 0.968 9.724 4.307 620 HD3 PRO 92 2HD PRO 92 1.138 10.646 5.814 621 H HIS 93 H HIS 93 -1.076 7.458 4.611 622 HA HIS 93 HA HIS 93 -3.894 6.927 3.927 623 HB2 HIS 93 1HB HIS 93 -1.443 7.020 2.207 624 HB3 HIS 93 2HB HIS 93 -2.776 5.960 1.759 625 HD1 HIS 93 1HD HIS 93 -4.647 7.007 0.492 626 HD2 HIS 93 2HD HIS 93 -2.254 9.830 2.381 627 HE1 HIS 93 1HE HIS 93 -5.482 9.240 -0.309 628 HE2 HIS 93 2HE HIS 93 -3.964 10.929 0.781 629 H PHE 94 H PHE 94 -1.849 5.787 5.927 630 HA PHE 94 HA PHE 94 -2.650 3.037 5.565 631 HB2 PHE 94 1HB PHE 94 0.286 3.768 5.608 632 HB3 PHE 94 2HB PHE 94 -0.358 2.132 5.690 633 HD1 PHE 94 2HD PHE 94 -0.303 5.155 3.532 634 HD2 PHE 94 1HD PHE 94 -0.732 0.926 3.747 635 HE1 PHE 94 2HE PHE 94 -0.290 5.033 1.075 636 HE2 PHE 94 1HE PHE 94 -0.719 0.797 1.290 637 HZ PHE 94 HZ PHE 94 -0.498 2.852 -0.050 638 HA PRO 95 HA PRO 95 -1.798 1.052 6.515 639 HB2 PRO 95 1HB PRO 95 -3.399 -0.446 8.117 640 HB3 PRO 95 2HB PRO 95 -1.655 -0.299 8.368 641 HG2 PRO 95 1HG PRO 95 -3.894 1.132 9.747 642 HG3 PRO 95 2HG PRO 95 -2.424 0.421 10.441 643 HD2 PRO 95 1HD PRO 95 -2.676 3.076 9.970 644 HD3 PRO 95 2HD PRO 95 -1.121 2.228 9.851 645 H ALA 96 H ALA 96 -3.431 0.124 5.223 646 HA ALA 96 HA ALA 96 -6.152 1.139 5.503 647 HB1 ALA 96 1HB ALA 96 -4.366 2.371 3.763 648 HB2 ALA 96 2HB ALA 96 -5.349 1.327 2.735 649 HB3 ALA 96 3HB ALA 96 -6.123 2.529 3.767 650 H ARG 97 H ARG 97 -7.257 -0.710 5.595 651 HA ARG 97 HA ARG 97 -6.414 -3.101 4.279 652 HB2 ARG 97 1HB ARG 97 -8.066 -4.156 5.461 653 HB3 ARG 97 2HB ARG 97 -7.892 -2.710 6.447 654 HG2 ARG 97 1HG ARG 97 -9.970 -3.142 4.310 655 HG3 ARG 97 2HG ARG 97 -10.233 -3.253 6.052 656 HD2 ARG 97 1HD ARG 97 -9.181 -0.811 5.963 657 HD3 ARG 97 2HD ARG 97 -9.840 -0.869 4.329 658 HE ARG 97 HE ARG 97 -11.927 -1.675 5.817 659 HH11 ARG 97 1HH1 ARG 97 -9.763 1.039 6.092 660 HH12 ARG 97 2HH1 ARG 97 -10.943 2.072 6.829 661 HH21 ARG 97 1HH2 ARG 97 -13.489 -0.324 6.786 662 HH22 ARG 97 2HH2 ARG 97 -13.062 1.295 7.223 663 H VAL 98 H VAL 98 -7.796 -4.325 2.772 664 HA VAL 98 HA VAL 98 -9.609 -2.754 1.126 665 HB VAL 98 HB VAL 98 -7.033 -3.912 0.073 666 HG11 VAL 98 1HG1 VAL 98 -8.258 -4.598 -1.684 667 HG12 VAL 98 2HG1 VAL 98 -9.630 -3.573 -1.259 668 HG13 VAL 98 3HG1 VAL 98 -8.251 -2.890 -2.121 669 HG21 VAL 98 1HG2 VAL 98 -7.121 -1.557 0.972 670 HG22 VAL 98 2HG2 VAL 98 -6.574 -1.717 -0.697 671 HG23 VAL 98 3HG2 VAL 98 -8.219 -1.179 -0.356 672 H LYS 99 H LYS 99 -11.268 -3.961 0.469 673 HA LYS 99 HA LYS 99 -11.341 -6.760 1.098 674 HB2 LYS 99 1HB LYS 99 -13.277 -5.092 1.256 675 HB3 LYS 99 2HB LYS 99 -13.407 -5.246 -0.491 676 HG2 LYS 99 1HG LYS 99 -13.574 -7.773 -0.045 677 HG3 LYS 99 2HG LYS 99 -13.917 -7.303 1.621 678 HD2 LYS 99 1HD LYS 99 -15.834 -6.032 0.926 679 HD3 LYS 99 2HD LYS 99 -15.438 -6.282 -0.776 680 HE2 LYS 99 1HE LYS 99 -17.204 -7.786 -0.197 681 HE3 LYS 99 2HE LYS 99 -15.731 -8.731 -0.409 682 HZ1 LYS 99 1HZ LYS 99 -17.275 -9.097 1.648 683 HZ2 LYS 99 2HZ LYS 99 -16.414 -7.786 2.281 684 HZ3 LYS 99 3HZ LYS 99 -15.593 -9.188 1.808 685 H VAL 100 H VAL 100 -10.424 -8.236 -0.160 686 HA VAL 100 HA VAL 100 -10.262 -7.768 -3.050 687 HB VAL 100 HB VAL 100 -8.861 -9.825 -1.337 688 HG11 VAL 100 1HG1 VAL 100 -8.394 -10.916 -3.211 689 HG12 VAL 100 2HG1 VAL 100 -9.308 -9.736 -4.152 690 HG13 VAL 100 3HG1 VAL 100 -7.592 -9.475 -3.836 691 HG21 VAL 100 1HG2 VAL 100 -6.838 -8.451 -1.985 692 HG22 VAL 100 2HG2 VAL 100 -7.967 -7.213 -2.534 693 HG23 VAL 100 3HG2 VAL 100 -7.948 -7.699 -0.839 694 H GLU 101 H GLU 101 -11.163 -9.124 -4.541 695 HA GLU 101 HA GLU 101 -13.082 -11.082 -3.492 696 HB2 GLU 101 1HB GLU 101 -12.976 -9.382 -5.943 697 HB3 GLU 101 2HB GLU 101 -13.842 -10.910 -6.024 698 HG2 GLU 101 1HG GLU 101 -14.407 -8.993 -3.808 699 HG3 GLU 101 2HG GLU 101 -15.106 -8.734 -5.405 700 HA PRO 102 HA PRO 102 -10.941 -14.540 -5.137 701 HB2 PRO 102 1HB PRO 102 -12.987 -16.117 -5.973 702 HB3 PRO 102 2HB PRO 102 -12.612 -15.853 -4.265 703 HG2 PRO 102 1HG PRO 102 -14.702 -14.553 -5.969 704 HG3 PRO 102 2HG PRO 102 -14.831 -15.156 -4.306 705 HD2 PRO 102 1HD PRO 102 -14.504 -12.531 -4.882 706 HD3 PRO 102 2HD PRO 102 -13.840 -13.276 -3.414 707 H ALA 103 H ALA 103 -10.255 -15.547 -7.048 708 HA ALA 103 HA ALA 103 -10.869 -14.050 -9.470 709 HB1 ALA 103 1HB ALA 103 -8.852 -14.764 -10.314 710 HB2 ALA 103 2HB ALA 103 -8.509 -14.734 -8.584 711 HB3 ALA 103 3HB ALA 103 -8.870 -16.263 -9.385 712 H VAL 104 H VAL 104 -12.931 -15.751 -8.510 713 HA VAL 104 HA VAL 104 -12.925 -17.942 -10.475 714 HB VAL 104 HB VAL 104 -14.794 -17.596 -8.129 715 HG11 VAL 104 1HG1 VAL 104 -15.864 -19.416 -8.848 716 HG12 VAL 104 2HG1 VAL 104 -15.018 -19.184 -10.379 717 HG13 VAL 104 3HG1 VAL 104 -14.356 -20.275 -9.160 718 HG21 VAL 104 1HG2 VAL 104 -12.118 -18.882 -8.353 719 HG22 VAL 104 2HG2 VAL 104 -12.828 -17.982 -7.013 720 HG23 VAL 104 3HG2 VAL 104 -13.340 -19.639 -7.332 721 H ASP 105 H ASP 105 -13.328 -15.547 -11.621 722 HA ASP 105 HA ASP 105 -16.240 -15.448 -12.073 723 HB2 ASP 105 1HB ASP 105 -14.315 -13.166 -12.536 724 HB3 ASP 105 2HB ASP 105 -16.075 -13.107 -12.549 725 H THR 106 H THR 106 -14.734 -17.305 -13.427 726 HA THR 106 HA THR 106 -14.827 -16.237 -16.164 727 HB THR 106 HB THR 106 -12.702 -18.146 -15.173 728 HG1 THR 106 1HG THR 106 -11.328 -16.404 -15.235 729 HG21 THR 106 1HG2 THR 106 -13.682 -17.639 -17.761 730 HG22 THR 106 2HG2 THR 106 -12.232 -18.539 -17.316 731 HG23 THR 106 3HG2 THR 106 -12.130 -16.810 -17.650 732 H SER 107 H SER 107 -16.312 -17.313 -17.270 733 HA SER 107 HA SER 107 -16.962 -20.065 -16.489 734 HB2 SER 107 1HB SER 107 -18.753 -18.241 -16.632 735 HB3 SER 107 2HB SER 107 -18.551 -18.333 -18.382 736 HG SER 107 HG SER 107 -19.638 -20.195 -16.607 737 H SER 108 H SER 108 -16.461 -18.106 -19.420 738 HA SER 108 HA SER 108 -16.570 -19.965 -21.385 739 HB2 SER 108 1HB SER 108 -14.871 -18.647 -22.609 740 HB3 SER 108 2HB SER 108 -16.066 -17.613 -21.826 741 HG SER 108 HG SER 108 -14.431 -17.564 -20.040 742 H GLY 109 H GLY 109 -15.832 -21.991 -21.310 743 HA2 GLY 109 1HA GLY 109 -13.889 -23.132 -19.824 744 HA3 GLY 109 2HA GLY 109 -14.247 -23.671 -21.458 745 HA PRO 110 HA PRO 110 -9.966 -21.509 -20.956 746 HB2 PRO 110 1HB PRO 110 -8.394 -23.591 -20.201 747 HB3 PRO 110 2HB PRO 110 -9.167 -22.501 -19.043 748 HG2 PRO 110 1HG PRO 110 -10.022 -25.226 -19.943 749 HG3 PRO 110 2HG PRO 110 -10.011 -24.540 -18.308 750 HD2 PRO 110 1HD PRO 110 -12.262 -24.703 -19.803 751 HD3 PRO 110 2HD PRO 110 -11.982 -23.392 -18.640 752 H SER 111 H SER 111 -8.683 -21.470 -22.724 753 HA SER 111 HA SER 111 -8.872 -23.751 -24.581 754 HB2 SER 111 1HB SER 111 -8.890 -20.795 -25.030 755 HB3 SER 111 2HB SER 111 -8.189 -21.832 -26.272 756 HG SER 111 HG SER 111 -10.702 -22.477 -25.208 757 H SER 112 H SER 112 -6.997 -24.124 -25.956 758 HA SER 112 HA SER 112 -4.590 -24.171 -24.451 759 HB2 SER 112 1HB SER 112 -3.607 -25.253 -26.383 760 HB3 SER 112 2HB SER 112 -5.231 -25.897 -26.138 761 HG SER 112 HG SER 112 -4.454 -23.916 -28.018 762 H GLY 113 H GLY 113 -3.341 -22.462 -24.098 763 HA2 GLY 113 1HA GLY 113 -1.942 -21.058 -25.997 764 HA3 GLY 113 2HA GLY 113 -3.416 -20.130 -25.760 Start of MODEL 16 1 H1 GLY 1 H GLY 1 12.386 26.647 -15.818 2 HA2 GLY 1 1HA GLY 1 15.025 26.392 -15.712 3 HA3 GLY 1 2HA GLY 1 14.214 27.581 -14.703 4 H SER 2 H SER 2 15.318 27.543 -12.840 5 HA SER 2 HA SER 2 16.519 25.240 -11.728 6 HB2 SER 2 1HB SER 2 16.994 26.613 -9.803 7 HB3 SER 2 2HB SER 2 17.195 27.608 -11.245 8 HG SER 2 HG SER 2 15.362 27.808 -9.199 9 H SER 3 H SER 3 15.985 24.222 -9.678 10 HA SER 3 HA SER 3 13.290 24.454 -8.676 11 HB2 SER 3 1HB SER 3 14.155 21.847 -9.949 12 HB3 SER 3 2HB SER 3 12.616 22.165 -9.149 13 HG SER 3 HG SER 3 13.094 22.449 -11.665 14 H GLY 4 H GLY 4 12.941 23.228 -6.733 15 HA2 GLY 4 1HA GLY 4 15.370 22.051 -5.560 16 HA3 GLY 4 2HA GLY 4 14.524 23.328 -4.697 17 H SER 5 H SER 5 14.953 20.117 -4.750 18 HA SER 5 HA SER 5 12.241 19.584 -3.725 19 HB2 SER 5 1HB SER 5 12.637 17.197 -4.409 20 HB3 SER 5 2HB SER 5 12.534 18.327 -5.759 21 HG SER 5 HG SER 5 14.341 16.722 -5.704 22 H SER 6 H SER 6 14.355 20.611 -2.151 23 HA SER 6 HA SER 6 14.954 18.296 -0.428 24 HB2 SER 6 1HB SER 6 16.881 19.659 -1.596 25 HB3 SER 6 2HB SER 6 16.578 20.809 -0.294 26 HG SER 6 HG SER 6 17.614 19.525 0.990 27 H GLY 7 H GLY 7 15.231 18.895 1.908 28 HA2 GLY 7 1HA GLY 7 14.581 21.032 3.318 29 HA3 GLY 7 2HA GLY 7 12.997 20.616 2.679 30 HA PRO 8 HA PRO 8 13.523 18.422 6.720 31 HB2 PRO 8 1HB PRO 8 11.041 19.033 7.636 32 HB3 PRO 8 2HB PRO 8 12.432 20.103 7.845 33 HG2 PRO 8 1HG PRO 8 10.240 20.221 5.809 34 HG3 PRO 8 2HG PRO 8 10.977 21.540 6.737 35 HD2 PRO 8 1HD PRO 8 11.644 21.018 4.165 36 HD3 PRO 8 2HD PRO 8 12.805 21.670 5.339 37 H PHE 9 H PHE 9 12.860 16.371 7.125 38 HA PHE 9 HA PHE 9 11.413 14.977 5.105 39 HB2 PHE 9 1HB PHE 9 13.027 13.639 6.095 40 HB3 PHE 9 2HB PHE 9 12.672 14.232 7.715 41 HD1 PHE 9 2HD PHE 9 10.777 13.345 8.975 42 HD2 PHE 9 1HD PHE 9 11.817 11.809 5.145 43 HE1 PHE 9 2HE PHE 9 9.388 11.359 9.398 44 HE2 PHE 9 1HE PHE 9 10.429 9.820 5.561 45 HZ PHE 9 HZ PHE 9 9.213 9.593 7.691 46 H ASP 10 H ASP 10 9.344 14.267 5.061 47 HA ASP 10 HA ASP 10 7.665 14.280 7.391 48 HB2 ASP 10 1HB ASP 10 7.540 16.488 5.401 49 HB3 ASP 10 2HB ASP 10 6.010 15.844 5.990 50 HA PRO 11 HA PRO 11 6.200 11.023 4.695 51 HB2 PRO 11 1HB PRO 11 4.594 9.868 6.555 52 HB3 PRO 11 2HB PRO 11 6.346 9.639 6.523 53 HG2 PRO 11 1HG PRO 11 4.708 11.485 8.217 54 HG3 PRO 11 2HG PRO 11 6.085 10.468 8.680 55 HD2 PRO 11 1HD PRO 11 6.327 13.124 8.212 56 HD3 PRO 11 2HD PRO 11 7.630 11.970 7.862 57 H SER 12 H SER 12 4.198 13.174 6.642 58 HA SER 12 HA SER 12 1.696 12.544 5.571 59 HB2 SER 12 1HB SER 12 2.705 15.205 6.603 60 HB3 SER 12 2HB SER 12 1.010 14.801 6.333 61 HG SER 12 HG SER 12 2.546 14.263 8.460 62 H LYS 13 H LYS 13 4.311 14.463 4.307 63 HA LYS 13 HA LYS 13 2.853 15.864 2.326 64 HB2 LYS 13 1HB LYS 13 5.778 15.096 2.396 65 HB3 LYS 13 2HB LYS 13 5.063 16.263 1.291 66 HG2 LYS 13 1HG LYS 13 4.797 16.621 4.246 67 HG3 LYS 13 2HG LYS 13 6.276 17.101 3.409 68 HD2 LYS 13 1HD LYS 13 5.213 18.763 2.209 69 HD3 LYS 13 2HD LYS 13 3.628 17.998 2.354 70 HE2 LYS 13 1HE LYS 13 3.598 19.923 3.744 71 HE3 LYS 13 2HE LYS 13 3.714 18.524 4.809 72 HZ1 LYS 13 1HZ LYS 13 5.893 20.382 4.038 73 HZ2 LYS 13 2HZ LYS 13 6.159 18.926 4.856 74 HZ3 LYS 13 3HZ LYS 13 5.239 20.147 5.581 75 H VAL 14 H VAL 14 3.945 12.619 2.565 76 HA VAL 14 HA VAL 14 4.108 12.031 -0.217 77 HB VAL 14 HB VAL 14 3.697 10.205 2.153 78 HG11 VAL 14 1HG1 VAL 14 2.847 9.173 0.111 79 HG12 VAL 14 2HG1 VAL 14 4.377 9.507 -0.702 80 HG13 VAL 14 3HG1 VAL 14 4.325 8.380 0.654 81 HG21 VAL 14 1HG2 VAL 14 5.819 11.337 2.242 82 HG22 VAL 14 2HG2 VAL 14 6.088 9.660 1.767 83 HG23 VAL 14 3HG2 VAL 14 6.147 10.941 0.555 84 H VAL 15 H VAL 15 2.554 11.563 -1.640 85 HA VAL 15 HA VAL 15 -0.185 11.180 -0.616 86 HB VAL 15 HB VAL 15 0.687 12.440 -3.220 87 HG11 VAL 15 1HG1 VAL 15 -1.445 11.036 -3.234 88 HG12 VAL 15 2HG1 VAL 15 -2.126 12.277 -2.180 89 HG13 VAL 15 3HG1 VAL 15 -1.571 12.701 -3.799 90 HG21 VAL 15 1HG2 VAL 15 0.217 14.493 -2.330 91 HG22 VAL 15 2HG2 VAL 15 -0.942 13.849 -1.167 92 HG23 VAL 15 3HG2 VAL 15 0.788 13.664 -0.881 93 H ALA 16 H ALA 16 -0.834 9.148 -0.831 94 HA ALA 16 HA ALA 16 0.101 7.604 -3.161 95 HB1 ALA 16 1HB ALA 16 0.886 6.578 -1.164 96 HB2 ALA 16 2HB ALA 16 -0.704 6.689 -0.408 97 HB3 ALA 16 3HB ALA 16 -0.448 5.593 -1.765 98 H SER 17 H SER 17 -1.366 6.427 -4.372 99 HA SER 17 HA SER 17 -4.136 6.247 -3.674 100 HB2 SER 17 1HB SER 17 -3.281 8.200 -5.818 101 HB3 SER 17 2HB SER 17 -4.924 7.575 -5.675 102 HG SER 17 HG SER 17 -3.502 9.046 -3.706 103 H GLY 18 H GLY 18 -5.389 5.603 -5.861 104 HA2 GLY 18 1HA GLY 18 -4.796 4.486 -8.061 105 HA3 GLY 18 2HA GLY 18 -3.711 3.506 -7.087 106 HA PRO 19 HA PRO 19 -8.019 1.584 -7.436 107 HB2 PRO 19 1HB PRO 19 -7.309 -0.571 -8.926 108 HB3 PRO 19 2HB PRO 19 -7.833 0.959 -9.639 109 HG2 PRO 19 1HG PRO 19 -5.059 -0.095 -9.241 110 HG3 PRO 19 2HG PRO 19 -5.751 0.732 -10.649 111 HD2 PRO 19 1HD PRO 19 -4.190 2.000 -8.837 112 HD3 PRO 19 2HD PRO 19 -5.506 2.819 -9.702 113 H GLY 20 H GLY 20 -4.789 0.223 -6.966 114 HA2 GLY 20 1HA GLY 20 -5.476 -2.151 -5.674 115 HA3 GLY 20 2HA GLY 20 -3.979 -1.266 -5.419 116 H LEU 21 H LEU 21 -5.447 1.126 -4.470 117 HA LEU 21 HA LEU 21 -5.714 0.269 -1.710 118 HB2 LEU 21 1HB LEU 21 -5.420 2.874 -3.118 119 HB3 LEU 21 2HB LEU 21 -6.140 2.865 -1.509 120 HG LEU 21 HG LEU 21 -3.516 1.508 -1.924 121 HD11 LEU 21 1HD1 LEU 21 -2.288 3.382 -2.123 122 HD12 LEU 21 2HD1 LEU 21 -3.402 4.346 -1.154 123 HD13 LEU 21 3HD1 LEU 21 -3.759 4.027 -2.852 124 HD21 LEU 21 1HD2 LEU 21 -3.273 1.768 0.338 125 HD22 LEU 21 2HD2 LEU 21 -5.029 1.641 0.222 126 HD23 LEU 21 3HD2 LEU 21 -4.268 3.223 0.391 127 H GLU 22 H GLU 22 -7.756 0.364 -4.251 128 HA GLU 22 HA GLU 22 -10.070 1.181 -2.625 129 HB2 GLU 22 1HB GLU 22 -9.985 0.852 -5.625 130 HB3 GLU 22 2HB GLU 22 -11.264 1.587 -4.670 131 HG2 GLU 22 1HG GLU 22 -9.362 3.224 -3.935 132 HG3 GLU 22 2HG GLU 22 -8.598 2.673 -5.425 133 H HIS 23 H HIS 23 -8.659 -1.402 -4.501 134 HA HIS 23 HA HIS 23 -10.186 -3.392 -3.201 135 HB2 HIS 23 1HB HIS 23 -11.583 -4.185 -4.988 136 HB3 HIS 23 2HB HIS 23 -11.925 -2.473 -4.757 137 HD1 HIS 23 1HD HIS 23 -11.835 -4.618 -7.408 138 HD2 HIS 23 2HD HIS 23 -9.792 -1.075 -6.674 139 HE1 HIS 23 1HE HIS 23 -11.136 -3.764 -9.668 140 HE2 HIS 23 2HE HIS 23 -9.828 -1.665 -9.192 141 H GLY 24 H GLY 24 -9.779 -5.591 -4.163 142 HA2 GLY 24 1HA GLY 24 -7.450 -5.718 -5.922 143 HA3 GLY 24 2HA GLY 24 -7.253 -6.356 -4.296 144 H LYS 25 H LYS 25 -6.865 -7.965 -6.491 145 HA LYS 25 HA LYS 25 -9.048 -9.887 -6.146 146 HB2 LYS 25 1HB LYS 25 -9.124 -8.465 -8.360 147 HB3 LYS 25 2HB LYS 25 -7.851 -9.567 -8.870 148 HG2 LYS 25 1HG LYS 25 -9.387 -11.462 -8.325 149 HG3 LYS 25 2HG LYS 25 -10.661 -10.269 -8.057 150 HD2 LYS 25 1HD LYS 25 -10.812 -9.730 -10.282 151 HD3 LYS 25 2HD LYS 25 -9.136 -10.174 -10.614 152 HE2 LYS 25 1HE LYS 25 -9.708 -12.532 -10.422 153 HE3 LYS 25 2HE LYS 25 -11.374 -12.112 -10.029 154 HZ1 LYS 25 1HZ LYS 25 -11.656 -12.396 -12.225 155 HZ2 LYS 25 2HZ LYS 25 -10.027 -12.134 -12.597 156 HZ3 LYS 25 3HZ LYS 25 -11.056 -10.817 -12.335 157 H VAL 26 H VAL 26 -8.374 -11.941 -5.892 158 HA VAL 26 HA VAL 26 -5.747 -12.564 -5.291 159 HB VAL 26 HB VAL 26 -7.956 -14.401 -6.219 160 HG11 VAL 26 1HG1 VAL 26 -6.475 -16.087 -4.886 161 HG12 VAL 26 2HG1 VAL 26 -6.103 -15.727 -6.573 162 HG13 VAL 26 3HG1 VAL 26 -5.177 -14.961 -5.282 163 HG21 VAL 26 1HG2 VAL 26 -7.037 -14.393 -3.422 164 HG22 VAL 26 2HG2 VAL 26 -7.860 -12.927 -3.955 165 HG23 VAL 26 3HG2 VAL 26 -8.670 -14.488 -4.082 166 H GLY 27 H GLY 27 -4.077 -12.312 -6.641 167 HA2 GLY 27 1HA GLY 27 -2.769 -13.404 -8.361 168 HA3 GLY 27 2HA GLY 27 -4.253 -13.628 -9.274 169 H GLU 28 H GLU 28 -5.139 -10.862 -8.666 170 HA GLU 28 HA GLU 28 -3.983 -9.606 -10.943 171 HB2 GLU 28 1HB GLU 28 -5.996 -8.823 -8.876 172 HB3 GLU 28 2HB GLU 28 -5.308 -7.576 -9.907 173 HG2 GLU 28 1HG GLU 28 -6.671 -10.058 -10.921 174 HG3 GLU 28 2HG GLU 28 -7.455 -8.492 -10.727 175 H ALA 29 H ALA 29 -3.498 -7.061 -10.497 176 HA ALA 29 HA ALA 29 -1.407 -6.973 -8.423 177 HB1 ALA 29 1HB ALA 29 0.178 -6.265 -9.863 178 HB2 ALA 29 2HB ALA 29 -0.832 -7.094 -11.049 179 HB3 ALA 29 3HB ALA 29 -0.968 -5.348 -10.842 180 H GLY 30 H GLY 30 -1.764 -5.432 -6.973 181 HA2 GLY 30 1HA GLY 30 -3.767 -3.416 -7.411 182 HA3 GLY 30 2HA GLY 30 -2.800 -3.629 -5.959 183 H LEU 31 H LEU 31 -3.129 -1.962 -8.959 184 HA LEU 31 HA LEU 31 -0.553 -0.832 -9.145 185 HB2 LEU 31 1HB LEU 31 -3.209 0.221 -10.107 186 HB3 LEU 31 2HB LEU 31 -1.638 0.868 -10.575 187 HG LEU 31 HG LEU 31 -2.536 -1.952 -11.151 188 HD11 LEU 31 1HD1 LEU 31 -2.314 -0.073 -13.379 189 HD12 LEU 31 2HD1 LEU 31 -3.635 0.280 -12.266 190 HD13 LEU 31 3HD1 LEU 31 -3.535 -1.300 -13.042 191 HD21 LEU 31 1HD2 LEU 31 -0.661 -1.415 -12.968 192 HD22 LEU 31 2HD2 LEU 31 -0.283 -2.090 -11.383 193 HD23 LEU 31 3HD2 LEU 31 -0.094 -0.360 -11.674 194 H LEU 32 H LEU 32 0.411 0.552 -7.827 195 HA LEU 32 HA LEU 32 -1.225 2.547 -6.418 196 HB2 LEU 32 1HB LEU 32 1.076 1.014 -5.218 197 HB3 LEU 32 2HB LEU 32 0.137 2.276 -4.422 198 HG LEU 32 HG LEU 32 -0.880 -0.440 -5.258 199 HD11 LEU 32 1HD1 LEU 32 0.270 0.644 -2.777 200 HD12 LEU 32 2HD1 LEU 32 0.184 -1.017 -3.362 201 HD13 LEU 32 3HD1 LEU 32 -1.219 -0.283 -2.586 202 HD21 LEU 32 1HD2 LEU 32 -2.845 0.648 -5.325 203 HD22 LEU 32 2HD2 LEU 32 -2.225 2.038 -4.433 204 HD23 LEU 32 3HD2 LEU 32 -2.730 0.587 -3.566 205 H SER 33 H SER 33 -0.445 4.576 -6.456 206 HA SER 33 HA SER 33 2.289 4.968 -7.487 207 HB2 SER 33 1HB SER 33 0.180 5.573 -8.966 208 HB3 SER 33 2HB SER 33 0.171 7.025 -7.965 209 HG SER 33 HG SER 33 1.456 7.466 -9.705 210 H VAL 34 H VAL 34 3.589 6.300 -6.371 211 HA VAL 34 HA VAL 34 2.395 7.820 -4.143 212 HB VAL 34 HB VAL 34 5.117 6.513 -4.248 213 HG11 VAL 34 1HG1 VAL 34 4.635 7.255 -1.646 214 HG12 VAL 34 2HG1 VAL 34 5.686 8.102 -2.783 215 HG13 VAL 34 3HG1 VAL 34 4.014 8.624 -2.569 216 HG21 VAL 34 1HG2 VAL 34 4.219 4.732 -3.261 217 HG22 VAL 34 2HG2 VAL 34 3.389 5.732 -2.070 218 HG23 VAL 34 3HG2 VAL 34 2.634 5.411 -3.630 219 H ASP 35 H ASP 35 2.474 9.930 -4.506 220 HA ASP 35 HA ASP 35 4.568 11.026 -6.230 221 HB2 ASP 35 1HB ASP 35 1.877 11.988 -5.330 222 HB3 ASP 35 2HB ASP 35 3.075 13.155 -5.884 223 H CYS 36 H CYS 36 6.373 11.575 -5.197 224 HA CYS 36 HA CYS 36 6.177 12.733 -2.506 225 HB2 CYS 36 1HB CYS 36 7.673 10.958 -2.366 226 HB3 CYS 36 2HB CYS 36 8.333 11.256 -3.970 227 HG CYS 36 HG CYS 36 9.840 11.880 -1.327 228 H SER 37 H SER 37 6.238 14.868 -2.386 229 HA SER 37 HA SER 37 7.771 16.351 -4.420 230 HB2 SER 37 1HB SER 37 5.208 16.987 -2.988 231 HB3 SER 37 2HB SER 37 6.214 18.287 -3.627 232 HG SER 37 HG SER 37 5.581 17.795 -5.568 233 H GLU 38 H GLU 38 6.617 16.726 -1.063 234 HA GLU 38 HA GLU 38 9.233 17.916 -0.409 235 HB2 GLU 38 1HB GLU 38 6.466 18.760 0.308 236 HB3 GLU 38 2HB GLU 38 7.733 18.993 1.505 237 HG2 GLU 38 1HG GLU 38 8.025 19.977 -1.310 238 HG3 GLU 38 2HG GLU 38 7.209 20.926 -0.069 239 H ALA 39 H ALA 39 8.279 15.113 -0.254 240 HA ALA 39 HA ALA 39 7.841 14.485 2.498 241 HB1 ALA 39 1HB ALA 39 8.715 12.699 0.230 242 HB2 ALA 39 2HB ALA 39 8.131 12.162 1.806 243 HB3 ALA 39 3HB ALA 39 7.049 13.023 0.711 244 H GLY 40 H GLY 40 10.519 15.633 0.968 245 HA2 GLY 40 1HA GLY 40 12.740 15.748 1.533 246 HA3 GLY 40 2HA GLY 40 12.244 15.224 3.136 247 HA PRO 41 HA PRO 41 14.999 11.931 1.492 248 HB2 PRO 41 1HB PRO 41 16.189 11.437 3.881 249 HB3 PRO 41 2HB PRO 41 16.729 12.715 2.785 250 HG2 PRO 41 1HG PRO 41 14.993 12.913 5.217 251 HG3 PRO 41 2HG PRO 41 16.321 13.969 4.701 252 HD2 PRO 41 1HD PRO 41 13.718 14.608 4.318 253 HD3 PRO 41 2HD PRO 41 14.998 15.105 3.194 254 H GLY 42 H GLY 42 15.513 9.759 2.932 255 HA2 GLY 42 1HA GLY 42 14.573 8.047 4.284 256 HA3 GLY 42 2HA GLY 42 13.023 8.870 4.201 257 H ALA 43 H ALA 43 13.733 6.059 3.662 258 HA ALA 43 HA ALA 43 13.158 5.847 0.796 259 HB1 ALA 43 1HB ALA 43 13.739 3.488 1.029 260 HB2 ALA 43 2HB ALA 43 15.031 4.525 1.637 261 HB3 ALA 43 3HB ALA 43 13.952 3.707 2.767 262 H LEU 44 H LEU 44 11.420 4.598 0.018 263 HA LEU 44 HA LEU 44 9.137 4.538 1.835 264 HB2 LEU 44 1HB LEU 44 8.520 5.607 -0.113 265 HB3 LEU 44 2HB LEU 44 9.485 4.537 -1.127 266 HG LEU 44 HG LEU 44 7.768 2.730 -0.531 267 HD11 LEU 44 1HD1 LEU 44 6.340 5.205 0.402 268 HD12 LEU 44 2HD1 LEU 44 6.621 3.706 1.286 269 HD13 LEU 44 3HD1 LEU 44 5.496 3.730 -0.071 270 HD21 LEU 44 1HD2 LEU 44 7.975 4.496 -2.609 271 HD22 LEU 44 2HD2 LEU 44 6.302 4.717 -2.096 272 HD23 LEU 44 3HD2 LEU 44 6.882 3.113 -2.550 273 H GLY 45 H GLY 45 7.983 2.712 2.338 274 HA2 GLY 45 1HA GLY 45 8.703 0.170 1.110 275 HA3 GLY 45 2HA GLY 45 9.076 0.334 2.820 276 H LEU 46 H LEU 46 6.979 -1.099 0.922 277 HA LEU 46 HA LEU 46 4.663 -0.545 2.657 278 HB2 LEU 46 1HB LEU 46 4.183 0.054 0.382 279 HB3 LEU 46 2HB LEU 46 4.771 -1.504 -0.197 280 HG LEU 46 HG LEU 46 2.848 -2.517 1.168 281 HD11 LEU 46 1HD1 LEU 46 1.276 -1.218 2.098 282 HD12 LEU 46 2HD1 LEU 46 1.332 -0.036 0.791 283 HD13 LEU 46 3HD1 LEU 46 2.533 0.020 2.082 284 HD21 LEU 46 1HD2 LEU 46 1.520 -2.537 -0.711 285 HD22 LEU 46 2HD2 LEU 46 3.076 -2.065 -1.395 286 HD23 LEU 46 3HD2 LEU 46 1.840 -0.844 -1.089 287 H GLU 47 H GLU 47 3.367 -2.327 3.317 288 HA GLU 47 HA GLU 47 4.514 -4.992 2.940 289 HB2 GLU 47 1HB GLU 47 5.436 -3.957 5.051 290 HB3 GLU 47 2HB GLU 47 3.794 -3.943 5.678 291 HG2 GLU 47 1HG GLU 47 3.680 -6.272 5.766 292 HG3 GLU 47 2HG GLU 47 5.067 -6.470 4.697 293 H ALA 48 H ALA 48 2.850 -5.970 1.965 294 HA ALA 48 HA ALA 48 0.131 -5.514 2.957 295 HB1 ALA 48 1HB ALA 48 1.268 -6.498 0.385 296 HB2 ALA 48 2HB ALA 48 -0.366 -6.981 0.841 297 HB3 ALA 48 3HB ALA 48 0.035 -5.271 0.678 298 H VAL 49 H VAL 49 -0.902 -6.977 4.152 299 HA VAL 49 HA VAL 49 -0.152 -9.793 3.994 300 HB VAL 49 HB VAL 49 0.011 -8.141 6.504 301 HG11 VAL 49 1HG1 VAL 49 0.365 -10.456 7.597 302 HG12 VAL 49 2HG1 VAL 49 -1.283 -9.904 7.287 303 HG13 VAL 49 3HG1 VAL 49 -0.524 -11.072 6.205 304 HG21 VAL 49 1HG2 VAL 49 1.927 -10.256 5.600 305 HG22 VAL 49 2HG2 VAL 49 1.991 -8.635 4.910 306 HG23 VAL 49 3HG2 VAL 49 2.213 -8.864 6.644 307 H SER 50 H SER 50 -1.772 -11.220 4.638 308 HA SER 50 HA SER 50 -4.439 -10.065 4.652 309 HB2 SER 50 1HB SER 50 -3.930 -11.978 3.168 310 HB3 SER 50 2HB SER 50 -3.586 -12.970 4.585 311 HG SER 50 HG SER 50 -6.052 -11.654 4.423 312 H ASP 51 H ASP 51 -6.075 -10.792 6.172 313 HA ASP 51 HA ASP 51 -5.399 -10.400 8.823 314 HB2 ASP 51 1HB ASP 51 -7.656 -11.681 9.225 315 HB3 ASP 51 2HB ASP 51 -7.658 -10.117 8.416 316 H SER 52 H SER 52 -4.939 -13.178 6.918 317 HA SER 52 HA SER 52 -4.791 -14.964 9.226 318 HB2 SER 52 1HB SER 52 -5.909 -15.722 7.120 319 HB3 SER 52 2HB SER 52 -4.350 -15.613 6.303 320 HG SER 52 HG SER 52 -4.000 -17.543 7.029 321 H GLY 53 H GLY 53 -2.870 -12.735 8.671 322 HA2 GLY 53 1HA GLY 53 -0.610 -12.356 8.804 323 HA3 GLY 53 2HA GLY 53 -0.523 -13.947 9.546 324 H THR 54 H THR 54 -1.348 -12.893 6.248 325 HA THR 54 HA THR 54 0.884 -14.549 5.267 326 HB THR 54 HB THR 54 -1.714 -14.189 3.777 327 HG1 THR 54 1HG THR 54 -2.348 -15.387 5.490 328 HG21 THR 54 1HG2 THR 54 0.743 -15.089 2.937 329 HG22 THR 54 2HG2 THR 54 -0.801 -15.468 2.174 330 HG23 THR 54 3HG2 THR 54 -0.097 -16.584 3.344 331 H LYS 55 H LYS 55 2.347 -13.004 4.758 332 HA LYS 55 HA LYS 55 1.684 -10.481 3.638 333 HB2 LYS 55 1HB LYS 55 4.137 -10.300 3.222 334 HB3 LYS 55 2HB LYS 55 3.729 -10.714 4.881 335 HG2 LYS 55 1HG LYS 55 5.403 -12.203 4.540 336 HG3 LYS 55 2HG LYS 55 4.049 -13.174 3.956 337 HD2 LYS 55 1HD LYS 55 4.673 -12.973 1.764 338 HD3 LYS 55 2HD LYS 55 5.438 -11.402 2.013 339 HE2 LYS 55 1HE LYS 55 6.551 -13.995 3.070 340 HE3 LYS 55 2HE LYS 55 7.014 -13.292 1.521 341 HZ1 LYS 55 1HZ LYS 55 7.564 -11.228 2.896 342 HZ2 LYS 55 2HZ LYS 55 8.627 -12.541 2.988 343 HZ3 LYS 55 3HZ LYS 55 7.523 -12.257 4.238 344 H ALA 56 H ALA 56 1.767 -9.747 1.547 345 HA ALA 56 HA ALA 56 1.732 -11.826 -0.520 346 HB1 ALA 56 1HB ALA 56 -0.223 -10.296 -0.275 347 HB2 ALA 56 2HB ALA 56 0.825 -8.963 -0.764 348 HB3 ALA 56 3HB ALA 56 0.506 -10.290 -1.882 349 H GLU 57 H GLU 57 2.513 -10.977 -2.740 350 HA GLU 57 HA GLU 57 5.279 -10.205 -2.397 351 HB2 GLU 57 1HB GLU 57 4.977 -11.943 -3.956 352 HB3 GLU 57 2HB GLU 57 3.632 -11.125 -4.738 353 HG2 GLU 57 1HG GLU 57 4.988 -9.764 -5.970 354 HG3 GLU 57 2HG GLU 57 6.298 -9.819 -4.792 355 H VAL 58 H VAL 58 5.831 -8.139 -2.276 356 HA VAL 58 HA VAL 58 4.305 -6.173 -3.855 357 HB VAL 58 HB VAL 58 5.908 -5.701 -1.338 358 HG11 VAL 58 1HG1 VAL 58 4.561 -3.475 -1.515 359 HG12 VAL 58 2HG1 VAL 58 6.042 -3.684 -2.452 360 HG13 VAL 58 3HG1 VAL 58 4.471 -3.887 -3.227 361 HG21 VAL 58 1HG2 VAL 58 3.544 -5.092 -0.493 362 HG22 VAL 58 2HG2 VAL 58 2.978 -6.058 -1.856 363 HG23 VAL 58 3HG2 VAL 58 3.988 -6.795 -0.612 364 H SER 59 H SER 59 5.440 -4.511 -4.924 365 HA SER 59 HA SER 59 8.346 -4.743 -5.085 366 HB2 SER 59 1HB SER 59 7.460 -6.209 -6.869 367 HB3 SER 59 2HB SER 59 6.565 -4.842 -7.533 368 HG SER 59 HG SER 59 8.374 -4.002 -8.292 369 H ILE 60 H ILE 60 9.375 -2.841 -5.511 370 HA ILE 60 HA ILE 60 7.653 -0.488 -5.951 371 HB ILE 60 HB ILE 60 10.226 -0.617 -4.374 372 HG12 ILE 60 1HG1 ILE 60 7.519 0.081 -3.275 373 HG13 ILE 60 2HG1 ILE 60 8.018 -1.601 -3.412 374 HG21 ILE 60 1HG2 ILE 60 9.369 1.524 -5.742 375 HG22 ILE 60 2HG2 ILE 60 8.461 1.746 -4.248 376 HG23 ILE 60 3HG2 ILE 60 10.221 1.638 -4.202 377 HD11 ILE 60 1HD1 ILE 60 9.381 -1.457 -1.652 378 HD12 ILE 60 2HD1 ILE 60 9.989 0.129 -2.126 379 HD13 ILE 60 3HD1 ILE 60 8.458 -0.006 -1.262 380 H GLN 61 H GLN 61 8.132 0.819 -7.610 381 HA GLN 61 HA GLN 61 10.752 0.523 -8.914 382 HB2 GLN 61 1HB GLN 61 8.645 -0.594 -10.040 383 HB3 GLN 61 2HB GLN 61 8.318 1.052 -10.566 384 HG2 GLN 61 1HG GLN 61 10.794 0.987 -11.372 385 HG3 GLN 61 2HG GLN 61 10.566 -0.760 -11.299 386 HE21 GLN 61 1HE2 GLN 61 10.311 -1.445 -13.303 387 HE22 GLN 61 2HE2 GLN 61 9.248 -0.762 -14.481 388 H ASN 62 H ASN 62 11.792 2.388 -9.102 389 HA ASN 62 HA ASN 62 10.519 4.861 -8.415 390 HB2 ASN 62 1HB ASN 62 12.748 4.701 -7.689 391 HB3 ASN 62 2HB ASN 62 13.306 4.092 -9.244 392 HD21 ASN 62 1HD2 ASN 62 12.665 6.851 -7.333 393 HD22 ASN 62 2HD2 ASN 62 13.171 8.042 -8.478 394 H ASN 63 H ASN 63 10.489 6.772 -9.750 395 HA ASN 63 HA ASN 63 10.544 6.266 -12.640 396 HB2 ASN 63 1HB ASN 63 8.286 7.637 -11.163 397 HB3 ASN 63 2HB ASN 63 8.428 7.509 -12.914 398 HD21 ASN 63 1HD2 ASN 63 7.251 6.087 -10.114 399 HD22 ASN 63 2HD2 ASN 63 6.795 4.558 -10.776 400 H LYS 64 H LYS 64 10.925 8.098 -13.936 401 HA LYS 64 HA LYS 64 12.738 9.956 -12.945 402 HB2 LYS 64 1HB LYS 64 10.956 10.280 -15.367 403 HB3 LYS 64 2HB LYS 64 12.460 11.140 -15.061 404 HG2 LYS 64 1HG LYS 64 12.349 8.149 -15.274 405 HG3 LYS 64 2HG LYS 64 12.543 9.192 -16.685 406 HD2 LYS 64 1HD LYS 64 14.622 9.978 -15.965 407 HD3 LYS 64 2HD LYS 64 14.344 9.460 -14.300 408 HE2 LYS 64 1HE LYS 64 14.526 7.491 -16.559 409 HE3 LYS 64 2HE LYS 64 15.965 8.085 -15.732 410 HZ1 LYS 64 1HZ LYS 64 14.767 7.356 -13.619 411 HZ2 LYS 64 2HZ LYS 64 15.414 6.145 -14.607 412 HZ3 LYS 64 3HZ LYS 64 13.753 6.463 -14.638 413 H ASP 65 H ASP 65 9.331 9.917 -12.709 414 HA ASP 65 HA ASP 65 9.111 12.781 -12.245 415 HB2 ASP 65 1HB ASP 65 6.956 10.685 -11.937 416 HB3 ASP 65 2HB ASP 65 6.742 12.425 -12.109 417 H GLY 66 H GLY 66 10.719 11.057 -10.464 418 HA2 GLY 66 1HA GLY 66 11.088 10.738 -8.219 419 HA3 GLY 66 2HA GLY 66 10.153 12.212 -8.015 420 H THR 67 H THR 67 8.483 9.664 -9.543 421 HA THR 67 HA THR 67 6.930 9.230 -7.090 422 HB THR 67 HB THR 67 5.268 8.168 -8.739 423 HG1 THR 67 1HG THR 67 6.159 8.003 -10.670 424 HG21 THR 67 1HG2 THR 67 5.709 10.834 -7.927 425 HG22 THR 67 2HG2 THR 67 4.193 10.095 -8.443 426 HG23 THR 67 3HG2 THR 67 5.233 10.892 -9.623 427 H TYR 68 H TYR 68 6.054 7.038 -6.731 428 HA TYR 68 HA TYR 68 7.910 4.946 -7.659 429 HB2 TYR 68 1HB TYR 68 6.746 5.313 -4.893 430 HB3 TYR 68 2HB TYR 68 7.617 3.876 -5.416 431 HD1 TYR 68 2HD TYR 68 7.942 7.488 -4.722 432 HD2 TYR 68 1HD TYR 68 9.996 3.850 -5.526 433 HE1 TYR 68 2HE TYR 68 10.066 8.555 -4.091 434 HE2 TYR 68 1HE TYR 68 12.126 4.907 -4.895 435 HH TYR 68 HH TYR 68 12.777 6.945 -3.332 436 H ALA 69 H ALA 69 6.991 3.213 -8.548 437 HA ALA 69 HA ALA 69 4.073 3.012 -8.495 438 HB1 ALA 69 1HB ALA 69 6.017 1.502 -10.234 439 HB2 ALA 69 2HB ALA 69 4.268 1.615 -10.435 440 HB3 ALA 69 3HB ALA 69 5.276 3.042 -10.671 441 H VAL 70 H VAL 70 3.604 2.016 -6.566 442 HA VAL 70 HA VAL 70 4.964 -0.460 -5.860 443 HB VAL 70 HB VAL 70 2.904 1.213 -4.433 444 HG11 VAL 70 1HG1 VAL 70 2.320 -1.047 -3.930 445 HG12 VAL 70 2HG1 VAL 70 4.009 -1.482 -3.662 446 HG13 VAL 70 3HG1 VAL 70 3.188 -0.395 -2.541 447 HG21 VAL 70 1HG2 VAL 70 5.678 1.339 -4.550 448 HG22 VAL 70 2HG2 VAL 70 4.634 2.128 -3.368 449 HG23 VAL 70 3HG2 VAL 70 5.334 0.549 -3.012 450 H THR 71 H THR 71 4.005 -2.463 -5.772 451 HA THR 71 HA THR 71 1.218 -2.720 -6.620 452 HB THR 71 HB THR 71 3.181 -4.566 -7.904 453 HG1 THR 71 1HG THR 71 4.087 -2.679 -8.567 454 HG21 THR 71 1HG2 THR 71 0.428 -3.529 -8.443 455 HG22 THR 71 2HG2 THR 71 1.009 -5.193 -8.393 456 HG23 THR 71 3HG2 THR 71 1.398 -4.165 -9.771 457 H TYR 72 H TYR 72 0.246 -4.718 -6.069 458 HA TYR 72 HA TYR 72 1.815 -6.568 -4.441 459 HB2 TYR 72 1HB TYR 72 0.437 -6.429 -2.533 460 HB3 TYR 72 2HB TYR 72 0.746 -4.756 -2.982 461 HD1 TYR 72 2HD TYR 72 -1.776 -7.458 -3.080 462 HD2 TYR 72 1HD TYR 72 -1.028 -3.300 -3.583 463 HE1 TYR 72 2HE TYR 72 -4.198 -7.037 -3.157 464 HE2 TYR 72 1HE TYR 72 -3.448 -2.867 -3.659 465 HH TYR 72 HH TYR 72 -5.516 -3.857 -3.014 466 H VAL 73 H VAL 73 1.268 -8.626 -4.799 467 HA VAL 73 HA VAL 73 -1.228 -9.146 -6.276 468 HB VAL 73 HB VAL 73 1.370 -10.684 -6.286 469 HG11 VAL 73 1HG1 VAL 73 -0.057 -12.428 -6.576 470 HG12 VAL 73 2HG1 VAL 73 -1.360 -11.406 -7.185 471 HG13 VAL 73 3HG1 VAL 73 -0.016 -11.845 -8.239 472 HG21 VAL 73 1HG2 VAL 73 1.188 -8.534 -7.611 473 HG22 VAL 73 2HG2 VAL 73 1.626 -9.977 -8.527 474 HG23 VAL 73 3HG2 VAL 73 -0.023 -9.355 -8.597 475 HA PRO 74 HA PRO 74 -2.204 -11.155 -2.341 476 HB2 PRO 74 1HB PRO 74 -4.869 -11.302 -2.837 477 HB3 PRO 74 2HB PRO 74 -4.082 -9.835 -2.242 478 HG2 PRO 74 1HG PRO 74 -4.892 -10.551 -5.034 479 HG3 PRO 74 2HG PRO 74 -5.070 -9.008 -4.178 480 HD2 PRO 74 1HD PRO 74 -3.089 -9.461 -5.967 481 HD3 PRO 74 2HD PRO 74 -2.880 -8.400 -4.559 482 H LEU 75 H LEU 75 -2.072 -13.280 -2.006 483 HA LEU 75 HA LEU 75 -2.420 -15.119 -4.209 484 HB2 LEU 75 1HB LEU 75 -1.564 -15.496 -1.347 485 HB3 LEU 75 2HB LEU 75 -1.698 -16.818 -2.505 486 HG LEU 75 HG LEU 75 0.124 -14.449 -2.893 487 HD11 LEU 75 1HD1 LEU 75 0.882 -17.177 -1.871 488 HD12 LEU 75 2HD1 LEU 75 0.671 -15.762 -0.841 489 HD13 LEU 75 3HD1 LEU 75 1.930 -15.774 -2.076 490 HD21 LEU 75 1HD2 LEU 75 1.238 -16.054 -4.458 491 HD22 LEU 75 2HD2 LEU 75 -0.373 -15.537 -4.954 492 HD23 LEU 75 3HD2 LEU 75 -0.140 -17.132 -4.236 493 H THR 76 H THR 76 -3.847 -14.662 -0.984 494 HA THR 76 HA THR 76 -6.122 -16.326 -1.849 495 HB THR 76 HB THR 76 -4.876 -17.253 0.081 496 HG1 THR 76 1HG THR 76 -7.233 -17.457 -0.178 497 HG21 THR 76 1HG2 THR 76 -4.189 -15.972 1.770 498 HG22 THR 76 2HG2 THR 76 -5.845 -15.463 2.101 499 HG23 THR 76 3HG2 THR 76 -4.863 -14.569 0.941 500 H ALA 77 H ALA 77 -8.147 -15.506 -1.761 501 HA ALA 77 HA ALA 77 -8.524 -12.718 -1.671 502 HB1 ALA 77 1HB ALA 77 -11.038 -13.728 -1.311 503 HB2 ALA 77 2HB ALA 77 -10.237 -13.517 -2.869 504 HB3 ALA 77 3HB ALA 77 -10.195 -15.084 -2.061 505 H GLY 78 H GLY 78 -10.059 -11.576 -0.217 506 HA2 GLY 78 1HA GLY 78 -11.194 -11.857 2.035 507 HA3 GLY 78 2HA GLY 78 -9.632 -12.461 2.567 508 H MET 79 H MET 79 -10.097 -10.638 4.148 509 HA MET 79 HA MET 79 -9.724 -7.957 3.179 510 HB2 MET 79 1HB MET 79 -9.787 -9.119 5.966 511 HB3 MET 79 2HB MET 79 -9.605 -7.403 5.631 512 HG2 MET 79 1HG MET 79 -11.965 -9.154 5.011 513 HG3 MET 79 2HG MET 79 -11.885 -7.807 6.145 514 HE1 MET 79 1HE MET 79 -10.838 -5.601 5.325 515 HE2 MET 79 2HE MET 79 -10.153 -5.644 3.701 516 HE3 MET 79 3HE MET 79 -11.623 -4.720 4.015 517 H TYR 80 H TYR 80 -7.877 -6.842 2.988 518 HA TYR 80 HA TYR 80 -5.405 -8.120 3.958 519 HB2 TYR 80 1HB TYR 80 -6.078 -6.731 1.415 520 HB3 TYR 80 2HB TYR 80 -4.457 -6.494 2.059 521 HD1 TYR 80 2HD TYR 80 -6.824 -8.963 0.711 522 HD2 TYR 80 1HD TYR 80 -2.848 -8.283 2.066 523 HE1 TYR 80 2HE TYR 80 -6.131 -11.115 -0.259 524 HE2 TYR 80 1HE TYR 80 -2.144 -10.431 1.098 525 HH TYR 80 HH TYR 80 -4.034 -12.824 0.363 526 H THR 81 H THR 81 -3.672 -6.694 4.607 527 HA THR 81 HA THR 81 -4.626 -4.068 5.548 528 HB THR 81 HB THR 81 -2.708 -5.891 7.014 529 HG1 THR 81 1HG THR 81 -4.484 -6.762 7.751 530 HG21 THR 81 1HG2 THR 81 -3.566 -4.080 8.828 531 HG22 THR 81 2HG2 THR 81 -3.570 -3.091 7.367 532 HG23 THR 81 3HG2 THR 81 -2.089 -3.896 7.884 533 H LEU 82 H LEU 82 -3.670 -2.722 4.115 534 HA LEU 82 HA LEU 82 -0.960 -3.139 3.219 535 HB2 LEU 82 1HB LEU 82 -2.507 -0.617 2.786 536 HB3 LEU 82 2HB LEU 82 -1.306 -1.378 1.745 537 HG LEU 82 HG LEU 82 -4.011 -2.601 2.228 538 HD11 LEU 82 1HD1 LEU 82 -3.608 -0.143 1.012 539 HD12 LEU 82 2HD1 LEU 82 -5.017 -1.188 0.839 540 HD13 LEU 82 3HD1 LEU 82 -3.699 -1.285 -0.329 541 HD21 LEU 82 1HD2 LEU 82 -1.689 -3.102 0.453 542 HD22 LEU 82 2HD2 LEU 82 -3.300 -3.363 -0.218 543 HD23 LEU 82 3HD2 LEU 82 -2.793 -4.239 1.227 544 H THR 83 H THR 83 0.823 -2.357 4.125 545 HA THR 83 HA THR 83 0.564 -0.136 6.046 546 HB THR 83 HB THR 83 2.542 -2.407 6.289 547 HG1 THR 83 1HG THR 83 -0.074 -2.090 7.247 548 HG21 THR 83 1HG2 THR 83 2.741 0.060 7.349 549 HG22 THR 83 2HG2 THR 83 3.340 -1.391 8.153 550 HG23 THR 83 3HG2 THR 83 1.768 -0.724 8.592 551 H MET 84 H MET 84 1.358 1.561 4.941 552 HA MET 84 HA MET 84 3.939 1.223 3.564 553 HB2 MET 84 1HB MET 84 2.020 1.952 2.150 554 HB3 MET 84 2HB MET 84 1.882 3.397 3.142 555 HG2 MET 84 1HG MET 84 4.109 4.093 2.471 556 HG3 MET 84 2HG MET 84 4.291 2.625 1.514 557 HE1 MET 84 1HE MET 84 3.481 2.851 -1.393 558 HE2 MET 84 2HE MET 84 2.702 1.888 -0.137 559 HE3 MET 84 3HE MET 84 1.728 2.900 -1.205 560 H LYS 85 H LYS 85 5.638 2.038 4.580 561 HA LYS 85 HA LYS 85 5.245 4.376 6.332 562 HB2 LYS 85 1HB LYS 85 6.689 1.822 6.783 563 HB3 LYS 85 2HB LYS 85 7.459 3.282 7.390 564 HG2 LYS 85 1HG LYS 85 5.222 3.788 8.509 565 HG3 LYS 85 2HG LYS 85 4.808 2.109 8.154 566 HD2 LYS 85 1HD LYS 85 7.420 2.637 9.464 567 HD3 LYS 85 2HD LYS 85 5.962 2.835 10.438 568 HE2 LYS 85 1HE LYS 85 6.801 0.365 8.924 569 HE3 LYS 85 2HE LYS 85 6.812 0.582 10.673 570 HZ1 LYS 85 1HZ LYS 85 4.243 1.163 9.701 571 HZ2 LYS 85 2HZ LYS 85 4.716 -0.080 10.745 572 HZ3 LYS 85 3HZ LYS 85 4.721 -0.333 9.073 573 H TYR 86 H TYR 86 6.291 6.126 5.675 574 HA TYR 86 HA TYR 86 8.494 5.827 3.764 575 HB2 TYR 86 1HB TYR 86 6.430 7.319 3.345 576 HB3 TYR 86 2HB TYR 86 7.166 8.427 4.497 577 HD1 TYR 86 1HD TYR 86 9.226 9.610 3.946 578 HD2 TYR 86 2HD TYR 86 7.394 6.979 1.149 579 HE1 TYR 86 1HE TYR 86 10.610 10.564 2.150 580 HE2 TYR 86 2HE TYR 86 8.774 7.924 -0.654 581 HH TYR 86 HH TYR 86 10.818 9.133 -0.967 582 H GLY 87 H GLY 87 10.443 5.742 4.672 583 HA2 GLY 87 1HA GLY 87 12.292 6.414 5.865 584 HA3 GLY 87 2HA GLY 87 11.442 7.911 6.217 585 H GLY 88 H GLY 88 10.038 4.838 7.053 586 HA2 GLY 88 1HA GLY 88 10.095 3.698 9.118 587 HA3 GLY 88 2HA GLY 88 10.964 5.057 9.817 588 H GLU 89 H GLU 89 8.691 6.639 8.267 589 HA GLU 89 HA GLU 89 6.823 6.522 10.537 590 HB2 GLU 89 1HB GLU 89 7.221 8.804 8.598 591 HB3 GLU 89 2HB GLU 89 6.269 8.825 10.076 592 HG2 GLU 89 1HG GLU 89 8.602 8.168 11.143 593 HG3 GLU 89 2HG GLU 89 9.202 8.987 9.702 594 H LEU 90 H LEU 90 4.693 6.163 10.212 595 HA LEU 90 HA LEU 90 3.855 5.026 7.748 596 HB2 LEU 90 1HB LEU 90 2.611 5.616 10.373 597 HB3 LEU 90 2HB LEU 90 1.529 5.383 9.001 598 HG LEU 90 HG LEU 90 3.614 3.360 9.790 599 HD11 LEU 90 1HD1 LEU 90 1.826 3.960 11.573 600 HD12 LEU 90 2HD1 LEU 90 2.128 2.269 11.178 601 HD13 LEU 90 3HD1 LEU 90 0.724 3.094 10.502 602 HD21 LEU 90 1HD2 LEU 90 2.625 1.957 8.277 603 HD22 LEU 90 2HD2 LEU 90 2.367 3.507 7.476 604 HD23 LEU 90 3HD2 LEU 90 1.057 2.758 8.390 605 H VAL 91 H VAL 91 2.165 5.753 6.354 606 HA VAL 91 HA VAL 91 2.165 8.660 6.039 607 HB VAL 91 HB VAL 91 0.864 7.853 3.851 608 HG11 VAL 91 1HG1 VAL 91 3.051 7.818 2.696 609 HG12 VAL 91 2HG1 VAL 91 2.894 9.160 3.831 610 HG13 VAL 91 3HG1 VAL 91 3.849 7.743 4.267 611 HG21 VAL 91 1HG2 VAL 91 2.741 5.552 4.240 612 HG22 VAL 91 2HG2 VAL 91 1.068 5.453 4.790 613 HG23 VAL 91 3HG2 VAL 91 1.420 5.730 3.084 614 HA PRO 92 HA PRO 92 -2.019 9.281 7.206 615 HB2 PRO 92 1HB PRO 92 -2.888 11.069 5.358 616 HB3 PRO 92 2HB PRO 92 -1.752 11.492 6.644 617 HG2 PRO 92 1HG PRO 92 -1.206 10.832 3.775 618 HG3 PRO 92 2HG PRO 92 -0.506 12.114 4.781 619 HD2 PRO 92 1HD PRO 92 0.791 9.793 4.267 620 HD3 PRO 92 2HD PRO 92 0.985 10.678 5.794 621 H HIS 93 H HIS 93 -1.250 7.512 4.556 622 HA HIS 93 HA HIS 93 -4.074 7.043 3.853 623 HB2 HIS 93 1HB HIS 93 -1.684 6.460 2.099 624 HB3 HIS 93 2HB HIS 93 -3.384 6.394 1.644 625 HD1 HIS 93 1HD HIS 93 -4.313 8.448 0.601 626 HD2 HIS 93 2HD HIS 93 -0.807 9.209 2.695 627 HE1 HIS 93 1HE HIS 93 -3.759 10.856 0.132 628 HE2 HIS 93 2HE HIS 93 -1.588 11.269 1.340 629 H PHE 94 H PHE 94 -1.850 5.839 5.770 630 HA PHE 94 HA PHE 94 -2.832 3.116 5.477 631 HB2 PHE 94 1HB PHE 94 0.120 3.780 5.493 632 HB3 PHE 94 2HB PHE 94 -0.551 2.158 5.640 633 HD1 PHE 94 2HD PHE 94 -0.456 5.100 3.375 634 HD2 PHE 94 1HD PHE 94 -0.980 0.893 3.745 635 HE1 PHE 94 2HE PHE 94 -0.472 4.890 0.923 636 HE2 PHE 94 1HE PHE 94 -0.996 0.676 1.294 637 HZ PHE 94 HZ PHE 94 -0.743 2.676 -0.120 638 HA PRO 95 HA PRO 95 -2.031 1.113 6.441 639 HB2 PRO 95 1HB PRO 95 -3.672 -0.333 8.049 640 HB3 PRO 95 2HB PRO 95 -1.926 -0.230 8.302 641 HG2 PRO 95 1HG PRO 95 -4.130 1.267 9.668 642 HG3 PRO 95 2HG PRO 95 -2.680 0.523 10.369 643 HD2 PRO 95 1HD PRO 95 -2.863 3.180 9.881 644 HD3 PRO 95 2HD PRO 95 -1.330 2.292 9.771 645 H ALA 96 H ALA 96 -3.686 0.219 5.153 646 HA ALA 96 HA ALA 96 -6.358 1.391 5.394 647 HB1 ALA 96 1HB ALA 96 -4.729 2.624 3.740 648 HB2 ALA 96 2HB ALA 96 -5.159 1.288 2.671 649 HB3 ALA 96 3HB ALA 96 -6.418 2.344 3.312 650 H ARG 97 H ARG 97 -7.604 -0.351 5.626 651 HA ARG 97 HA ARG 97 -6.940 -2.911 4.568 652 HB2 ARG 97 1HB ARG 97 -9.194 -3.565 5.390 653 HB3 ARG 97 2HB ARG 97 -8.212 -2.767 6.611 654 HG2 ARG 97 1HG ARG 97 -10.176 -1.683 6.949 655 HG3 ARG 97 2HG ARG 97 -9.484 -0.629 5.715 656 HD2 ARG 97 1HD ARG 97 -10.908 -1.379 4.082 657 HD3 ARG 97 2HD ARG 97 -11.120 -2.956 4.842 658 HE ARG 97 HE ARG 97 -12.748 -0.662 5.213 659 HH11 ARG 97 1HH1 ARG 97 -11.433 -3.418 6.885 660 HH12 ARG 97 2HH1 ARG 97 -12.715 -3.489 8.047 661 HH21 ARG 97 1HH2 ARG 97 -14.442 -0.745 6.738 662 HH22 ARG 97 2HH2 ARG 97 -14.427 -1.969 7.962 663 H VAL 98 H VAL 98 -7.880 -4.056 2.886 664 HA VAL 98 HA VAL 98 -9.785 -2.670 1.156 665 HB VAL 98 HB VAL 98 -7.127 -3.729 0.186 666 HG11 VAL 98 1HG1 VAL 98 -8.893 -4.328 -1.372 667 HG12 VAL 98 2HG1 VAL 98 -9.469 -2.660 -1.388 668 HG13 VAL 98 3HG1 VAL 98 -7.882 -3.052 -2.050 669 HG21 VAL 98 1HG2 VAL 98 -8.286 -0.949 0.033 670 HG22 VAL 98 2HG2 VAL 98 -7.092 -1.476 1.219 671 HG23 VAL 98 3HG2 VAL 98 -6.683 -1.459 -0.497 672 H LYS 99 H LYS 99 -11.377 -4.025 0.701 673 HA LYS 99 HA LYS 99 -11.212 -6.813 1.256 674 HB2 LYS 99 1HB LYS 99 -13.289 -5.426 1.456 675 HB3 LYS 99 2HB LYS 99 -13.354 -5.355 -0.300 676 HG2 LYS 99 1HG LYS 99 -13.393 -7.892 -0.253 677 HG3 LYS 99 2HG LYS 99 -13.698 -7.747 1.479 678 HD2 LYS 99 1HD LYS 99 -15.391 -6.171 -0.394 679 HD3 LYS 99 2HD LYS 99 -15.678 -7.908 -0.264 680 HE2 LYS 99 1HE LYS 99 -16.136 -7.746 2.057 681 HE3 LYS 99 2HE LYS 99 -15.533 -6.091 2.131 682 HZ1 LYS 99 1HZ LYS 99 -17.720 -6.535 0.282 683 HZ2 LYS 99 2HZ LYS 99 -17.460 -5.265 1.368 684 HZ3 LYS 99 3HZ LYS 99 -18.113 -6.725 1.917 685 H VAL 100 H VAL 100 -10.346 -8.321 0.008 686 HA VAL 100 HA VAL 100 -10.033 -7.796 -2.861 687 HB VAL 100 HB VAL 100 -8.714 -9.878 -1.115 688 HG11 VAL 100 1HG1 VAL 100 -7.532 -10.645 -2.954 689 HG12 VAL 100 2HG1 VAL 100 -9.141 -10.373 -3.625 690 HG13 VAL 100 3HG1 VAL 100 -7.860 -9.192 -3.898 691 HG21 VAL 100 1HG2 VAL 100 -6.664 -8.509 -1.627 692 HG22 VAL 100 2HG2 VAL 100 -7.743 -7.268 -2.262 693 HG23 VAL 100 3HG2 VAL 100 -7.842 -7.737 -0.565 694 H GLU 101 H GLU 101 -11.026 -8.988 -4.387 695 HA GLU 101 HA GLU 101 -12.965 -10.974 -3.483 696 HB2 GLU 101 1HB GLU 101 -12.617 -9.379 -6.000 697 HB3 GLU 101 2HB GLU 101 -13.629 -10.816 -5.997 698 HG2 GLU 101 1HG GLU 101 -14.929 -9.816 -4.126 699 HG3 GLU 101 2HG GLU 101 -13.986 -8.341 -4.327 700 HA PRO 102 HA PRO 102 -10.738 -14.475 -4.913 701 HB2 PRO 102 1HB PRO 102 -12.763 -16.082 -5.742 702 HB3 PRO 102 2HB PRO 102 -12.431 -15.758 -4.037 703 HG2 PRO 102 1HG PRO 102 -14.478 -14.520 -5.836 704 HG3 PRO 102 2HG PRO 102 -14.647 -15.065 -4.156 705 HD2 PRO 102 1HD PRO 102 -14.306 -12.461 -4.817 706 HD3 PRO 102 2HD PRO 102 -13.679 -13.153 -3.307 707 H ALA 103 H ALA 103 -9.956 -15.490 -6.763 708 HA ALA 103 HA ALA 103 -10.492 -14.087 -9.246 709 HB1 ALA 103 1HB ALA 103 -8.610 -16.346 -9.278 710 HB2 ALA 103 2HB ALA 103 -8.424 -14.701 -9.886 711 HB3 ALA 103 3HB ALA 103 -8.202 -15.036 -8.169 712 H VAL 104 H VAL 104 -12.693 -15.563 -8.436 713 HA VAL 104 HA VAL 104 -12.771 -18.140 -9.659 714 HB VAL 104 HB VAL 104 -15.214 -18.006 -9.322 715 HG11 VAL 104 1HG1 VAL 104 -13.191 -18.007 -7.357 716 HG12 VAL 104 2HG1 VAL 104 -14.536 -17.062 -6.713 717 HG13 VAL 104 3HG1 VAL 104 -14.802 -18.718 -7.261 718 HG21 VAL 104 1HG2 VAL 104 -14.584 -15.194 -8.442 719 HG22 VAL 104 2HG2 VAL 104 -15.641 -15.696 -9.762 720 HG23 VAL 104 3HG2 VAL 104 -16.104 -16.018 -8.091 721 H ASP 105 H ASP 105 -12.945 -18.600 -11.743 722 HA ASP 105 HA ASP 105 -14.527 -16.909 -13.500 723 HB2 ASP 105 1HB ASP 105 -11.996 -16.200 -13.438 724 HB3 ASP 105 2HB ASP 105 -11.781 -17.617 -14.462 725 H THR 106 H THR 106 -14.318 -17.927 -15.852 726 HA THR 106 HA THR 106 -14.985 -20.748 -15.501 727 HB THR 106 HB THR 106 -15.380 -18.959 -17.907 728 HG1 THR 106 1HG THR 106 -17.672 -19.349 -17.114 729 HG21 THR 106 1HG2 THR 106 -16.954 -21.433 -17.562 730 HG22 THR 106 2HG2 THR 106 -15.251 -21.653 -17.964 731 HG23 THR 106 3HG2 THR 106 -16.292 -20.704 -19.025 732 H SER 107 H SER 107 -13.926 -22.410 -16.480 733 HA SER 107 HA SER 107 -12.045 -23.500 -17.209 734 HB2 SER 107 1HB SER 107 -11.604 -23.180 -19.550 735 HB3 SER 107 2HB SER 107 -13.333 -22.941 -19.300 736 HG SER 107 HG SER 107 -11.366 -20.907 -19.542 737 H SER 108 H SER 108 -11.368 -21.536 -15.367 738 HA SER 108 HA SER 108 -9.299 -19.825 -16.306 739 HB2 SER 108 1HB SER 108 -10.600 -19.448 -14.203 740 HB3 SER 108 2HB SER 108 -9.749 -20.814 -13.481 741 HG SER 108 HG SER 108 -7.999 -19.095 -14.594 742 H GLY 109 H GLY 109 -7.063 -20.022 -16.113 743 HA2 GLY 109 1HA GLY 109 -5.477 -21.820 -14.912 744 HA3 GLY 109 2HA GLY 109 -6.100 -22.758 -16.261 745 HA PRO 110 HA PRO 110 -2.240 -20.529 -17.604 746 HB2 PRO 110 1HB PRO 110 -1.033 -22.727 -18.643 747 HB3 PRO 110 2HB PRO 110 -0.883 -22.261 -16.945 748 HG2 PRO 110 1HG PRO 110 -2.670 -24.311 -18.197 749 HG3 PRO 110 2HG PRO 110 -1.722 -24.417 -16.702 750 HD2 PRO 110 1HD PRO 110 -4.381 -23.907 -16.707 751 HD3 PRO 110 2HD PRO 110 -3.284 -23.243 -15.479 752 H SER 111 H SER 111 -3.467 -19.459 -19.196 753 HA SER 111 HA SER 111 -4.477 -20.834 -21.497 754 HB2 SER 111 1HB SER 111 -5.381 -18.659 -20.520 755 HB3 SER 111 2HB SER 111 -3.998 -17.861 -21.267 756 HG SER 111 HG SER 111 -6.032 -19.344 -22.578 757 H SER 112 H SER 112 -3.743 -20.628 -23.656 758 HA SER 112 HA SER 112 -0.954 -20.903 -23.971 759 HB2 SER 112 1HB SER 112 -1.424 -21.013 -26.375 760 HB3 SER 112 2HB SER 112 -2.593 -21.977 -25.472 761 HG SER 112 HG SER 112 -3.802 -20.800 -26.854 762 H GLY 113 H GLY 113 0.412 -19.263 -23.652 763 HA2 GLY 113 1HA GLY 113 0.196 -16.919 -25.339 764 HA3 GLY 113 2HA GLY 113 0.037 -16.595 -23.619 Start of MODEL 17 1 H1 GLY 1 H GLY 1 22.876 21.242 -3.031 2 HA2 GLY 1 1HA GLY 1 24.136 18.585 -3.122 3 HA3 GLY 1 2HA GLY 1 22.549 18.760 -2.387 4 H SER 2 H SER 2 21.133 17.851 -3.729 5 HA SER 2 HA SER 2 21.246 18.624 -6.571 6 HB2 SER 2 1HB SER 2 20.828 15.958 -5.297 7 HB3 SER 2 2HB SER 2 19.945 16.313 -6.782 8 HG SER 2 HG SER 2 22.041 16.895 -7.683 9 H SER 3 H SER 3 19.096 17.479 -3.980 10 HA SER 3 HA SER 3 17.117 19.450 -4.673 11 HB2 SER 3 1HB SER 3 16.389 16.525 -4.957 12 HB3 SER 3 2HB SER 3 15.310 17.902 -5.178 13 HG SER 3 HG SER 3 17.266 16.884 -6.861 14 H GLY 4 H GLY 4 16.630 20.217 -2.729 15 HA2 GLY 4 1HA GLY 4 15.156 19.134 -0.786 16 HA3 GLY 4 2HA GLY 4 16.741 18.485 -0.393 17 H SER 5 H SER 5 15.419 21.651 -1.376 18 HA SER 5 HA SER 5 17.179 22.919 0.592 19 HB2 SER 5 1HB SER 5 16.990 24.907 -0.642 20 HB3 SER 5 2HB SER 5 17.007 23.656 -1.884 21 HG SER 5 HG SER 5 15.243 25.474 -1.701 22 H SER 6 H SER 6 16.440 23.963 2.353 23 HA SER 6 HA SER 6 14.959 24.232 4.103 24 HB2 SER 6 1HB SER 6 13.532 26.102 3.740 25 HB3 SER 6 2HB SER 6 14.918 26.341 2.676 26 HG SER 6 HG SER 6 13.367 25.072 1.155 27 H GLY 7 H GLY 7 14.478 21.767 2.843 28 HA2 GLY 7 1HA GLY 7 11.561 21.562 3.229 29 HA3 GLY 7 2HA GLY 7 12.345 20.751 1.882 30 HA PRO 8 HA PRO 8 13.515 18.593 6.098 31 HB2 PRO 8 1HB PRO 8 11.514 18.728 7.928 32 HB3 PRO 8 2HB PRO 8 12.837 19.899 7.863 33 HG2 PRO 8 1HG PRO 8 10.050 20.127 6.792 34 HG3 PRO 8 2HG PRO 8 11.016 21.332 7.664 35 HD2 PRO 8 1HD PRO 8 10.721 21.372 4.973 36 HD3 PRO 8 2HD PRO 8 12.200 21.931 5.780 37 H PHE 9 H PHE 9 13.019 16.448 6.512 38 HA PHE 9 HA PHE 9 11.371 15.107 4.706 39 HB2 PHE 9 1HB PHE 9 12.991 13.720 5.572 40 HB3 PHE 9 2HB PHE 9 12.806 14.347 7.207 41 HD1 PHE 9 2HD PHE 9 11.061 13.499 8.675 42 HD2 PHE 9 1HD PHE 9 11.626 11.920 4.763 43 HE1 PHE 9 2HE PHE 9 9.683 11.548 9.267 44 HE2 PHE 9 1HE PHE 9 10.248 9.967 5.348 45 HZ PHE 9 HZ PHE 9 9.276 9.779 7.603 46 H ASP 10 H ASP 10 9.321 14.307 4.782 47 HA ASP 10 HA ASP 10 7.753 14.349 7.190 48 HB2 ASP 10 1HB ASP 10 7.478 16.488 5.139 49 HB3 ASP 10 2HB ASP 10 5.995 15.829 5.824 50 HA PRO 11 HA PRO 11 6.223 10.975 4.691 51 HB2 PRO 11 1HB PRO 11 4.677 9.894 6.644 52 HB3 PRO 11 2HB PRO 11 6.430 9.678 6.577 53 HG2 PRO 11 1HG PRO 11 4.819 11.587 8.226 54 HG3 PRO 11 2HG PRO 11 6.217 10.604 8.699 55 HD2 PRO 11 1HD PRO 11 6.422 13.237 8.103 56 HD3 PRO 11 2HD PRO 11 7.726 12.079 7.772 57 H SER 12 H SER 12 4.328 13.321 6.468 58 HA SER 12 HA SER 12 1.780 12.575 5.486 59 HB2 SER 12 1HB SER 12 2.906 15.041 6.770 60 HB3 SER 12 2HB SER 12 1.287 15.084 6.070 61 HG SER 12 HG SER 12 1.879 14.260 8.436 62 H LYS 13 H LYS 13 4.357 14.552 4.216 63 HA LYS 13 HA LYS 13 2.855 15.886 2.214 64 HB2 LYS 13 1HB LYS 13 5.810 15.252 2.319 65 HB3 LYS 13 2HB LYS 13 5.054 16.381 1.202 66 HG2 LYS 13 1HG LYS 13 4.657 16.777 4.124 67 HG3 LYS 13 2HG LYS 13 6.207 17.215 3.402 68 HD2 LYS 13 1HD LYS 13 5.124 18.715 1.862 69 HD3 LYS 13 2HD LYS 13 3.530 18.188 2.408 70 HE2 LYS 13 1HE LYS 13 4.035 19.071 4.651 71 HE3 LYS 13 2HE LYS 13 5.595 19.641 4.060 72 HZ1 LYS 13 1HZ LYS 13 2.908 20.562 3.206 73 HZ2 LYS 13 2HZ LYS 13 4.339 20.994 2.414 74 HZ3 LYS 13 3HZ LYS 13 4.089 21.458 4.022 75 H VAL 14 H VAL 14 3.803 12.668 2.541 76 HA VAL 14 HA VAL 14 4.064 12.096 -0.280 77 HB VAL 14 HB VAL 14 3.854 10.229 2.087 78 HG11 VAL 14 1HG1 VAL 14 4.143 9.759 -0.841 79 HG12 VAL 14 2HG1 VAL 14 4.972 8.682 0.284 80 HG13 VAL 14 3HG1 VAL 14 3.218 8.858 0.360 81 HG21 VAL 14 1HG2 VAL 14 6.303 9.897 1.593 82 HG22 VAL 14 2HG2 VAL 14 6.201 11.304 0.535 83 HG23 VAL 14 3HG2 VAL 14 5.870 11.472 2.259 84 H VAL 15 H VAL 15 2.474 11.570 -1.634 85 HA VAL 15 HA VAL 15 -0.176 10.961 -0.495 86 HB VAL 15 HB VAL 15 0.488 12.298 -3.122 87 HG11 VAL 15 1HG1 VAL 15 -1.611 11.981 -3.822 88 HG12 VAL 15 2HG1 VAL 15 -1.692 10.714 -2.596 89 HG13 VAL 15 3HG1 VAL 15 -2.288 12.334 -2.233 90 HG21 VAL 15 1HG2 VAL 15 0.759 13.949 -1.521 91 HG22 VAL 15 2HG2 VAL 15 -0.938 14.135 -1.966 92 HG23 VAL 15 3HG2 VAL 15 -0.503 13.291 -0.479 93 H ALA 16 H ALA 16 -1.176 9.126 -1.084 94 HA ALA 16 HA ALA 16 -0.046 7.578 -3.318 95 HB1 ALA 16 1HB ALA 16 0.648 6.016 -1.905 96 HB2 ALA 16 2HB ALA 16 -0.062 6.876 -0.539 97 HB3 ALA 16 3HB ALA 16 -1.033 5.725 -1.457 98 H SER 17 H SER 17 -1.490 6.451 -4.573 99 HA SER 17 HA SER 17 -4.256 6.181 -3.809 100 HB2 SER 17 1HB SER 17 -5.160 7.499 -5.676 101 HB3 SER 17 2HB SER 17 -4.214 8.515 -4.589 102 HG SER 17 HG SER 17 -2.449 7.816 -6.240 103 H GLY 18 H GLY 18 -5.549 5.265 -5.736 104 HA2 GLY 18 1HA GLY 18 -4.912 4.163 -8.004 105 HA3 GLY 18 2HA GLY 18 -3.854 3.210 -6.974 106 HA PRO 19 HA PRO 19 -8.218 1.376 -7.303 107 HB2 PRO 19 1HB PRO 19 -7.591 -0.781 -8.827 108 HB3 PRO 19 2HB PRO 19 -8.096 0.767 -9.515 109 HG2 PRO 19 1HG PRO 19 -5.339 -0.352 -9.191 110 HG3 PRO 19 2HG PRO 19 -6.044 0.503 -10.575 111 HD2 PRO 19 1HD PRO 19 -4.413 1.720 -8.788 112 HD3 PRO 19 2HD PRO 19 -5.731 2.575 -9.616 113 H GLY 20 H GLY 20 -4.993 0.124 -6.739 114 HA2 GLY 20 1HA GLY 20 -5.705 -2.313 -5.506 115 HA3 GLY 20 2HA GLY 20 -4.187 -1.457 -5.283 116 H LEU 21 H LEU 21 -5.596 0.962 -4.308 117 HA LEU 21 HA LEU 21 -5.777 0.139 -1.539 118 HB2 LEU 21 1HB LEU 21 -5.548 2.707 -3.004 119 HB3 LEU 21 2HB LEU 21 -6.300 2.748 -1.410 120 HG LEU 21 HG LEU 21 -3.657 1.404 -1.697 121 HD11 LEU 21 1HD1 LEU 21 -3.350 3.475 -2.934 122 HD12 LEU 21 2HD1 LEU 21 -2.503 3.539 -1.389 123 HD13 LEU 21 3HD1 LEU 21 -4.032 4.394 -1.592 124 HD21 LEU 21 1HD2 LEU 21 -5.384 2.392 0.398 125 HD22 LEU 21 2HD2 LEU 21 -3.758 3.062 0.535 126 HD23 LEU 21 3HD2 LEU 21 -3.991 1.314 0.500 127 H GLU 22 H GLU 22 -7.915 0.335 -4.065 128 HA GLU 22 HA GLU 22 -10.187 1.004 -2.321 129 HB2 GLU 22 1HB GLU 22 -10.232 0.772 -5.328 130 HB3 GLU 22 2HB GLU 22 -11.451 1.495 -4.288 131 HG2 GLU 22 1HG GLU 22 -9.554 3.123 -3.615 132 HG3 GLU 22 2HG GLU 22 -8.785 2.565 -5.100 133 H HIS 23 H HIS 23 -8.862 -1.449 -4.451 134 HA HIS 23 HA HIS 23 -10.306 -3.524 -3.143 135 HB2 HIS 23 1HB HIS 23 -11.486 -4.300 -5.265 136 HB3 HIS 23 2HB HIS 23 -12.184 -2.906 -4.447 137 HD1 HIS 23 1HD HIS 23 -10.280 -3.860 -7.537 138 HD2 HIS 23 2HD HIS 23 -12.158 -0.537 -5.897 139 HE1 HIS 23 1HE HIS 23 -10.382 -2.163 -9.390 140 HE2 HIS 23 2HE HIS 23 -11.446 -0.131 -8.350 141 H GLY 24 H GLY 24 -9.852 -5.678 -4.138 142 HA2 GLY 24 1HA GLY 24 -7.542 -5.702 -5.937 143 HA3 GLY 24 2HA GLY 24 -7.338 -6.414 -4.343 144 H LYS 25 H LYS 25 -6.883 -7.995 -6.467 145 HA LYS 25 HA LYS 25 -9.088 -9.905 -6.279 146 HB2 LYS 25 1HB LYS 25 -9.102 -8.420 -8.451 147 HB3 LYS 25 2HB LYS 25 -7.811 -9.502 -8.956 148 HG2 LYS 25 1HG LYS 25 -9.380 -11.413 -8.467 149 HG3 LYS 25 2HG LYS 25 -10.655 -10.205 -8.288 150 HD2 LYS 25 1HD LYS 25 -10.629 -9.652 -10.525 151 HD3 LYS 25 2HD LYS 25 -8.958 -10.177 -10.743 152 HE2 LYS 25 1HE LYS 25 -9.701 -12.520 -10.477 153 HE3 LYS 25 2HE LYS 25 -11.367 -11.954 -10.362 154 HZ1 LYS 25 1HZ LYS 25 -9.571 -11.959 -12.697 155 HZ2 LYS 25 2HZ LYS 25 -10.849 -10.853 -12.617 156 HZ3 LYS 25 3HZ LYS 25 -11.165 -12.514 -12.575 157 H VAL 26 H VAL 26 -8.399 -11.935 -5.974 158 HA VAL 26 HA VAL 26 -5.797 -12.580 -5.349 159 HB VAL 26 HB VAL 26 -7.932 -14.433 -6.413 160 HG11 VAL 26 1HG1 VAL 26 -5.235 -14.933 -5.225 161 HG12 VAL 26 2HG1 VAL 26 -6.543 -16.090 -4.966 162 HG13 VAL 26 3HG1 VAL 26 -6.014 -15.707 -6.605 163 HG21 VAL 26 1HG2 VAL 26 -7.898 -12.946 -4.080 164 HG22 VAL 26 2HG2 VAL 26 -8.889 -14.369 -4.399 165 HG23 VAL 26 3HG2 VAL 26 -7.340 -14.541 -3.575 166 H GLY 27 H GLY 27 -4.050 -12.445 -6.595 167 HA2 GLY 27 1HA GLY 27 -2.706 -13.441 -8.314 168 HA3 GLY 27 2HA GLY 27 -4.163 -13.662 -9.272 169 H GLU 28 H GLU 28 -5.061 -10.894 -8.625 170 HA GLU 28 HA GLU 28 -3.835 -9.608 -10.859 171 HB2 GLU 28 1HB GLU 28 -5.923 -8.831 -8.854 172 HB3 GLU 28 2HB GLU 28 -5.235 -7.611 -9.916 173 HG2 GLU 28 1HG GLU 28 -6.499 -10.153 -10.903 174 HG3 GLU 28 2HG GLU 28 -7.371 -8.633 -10.709 175 H ALA 29 H ALA 29 -3.395 -7.067 -10.372 176 HA ALA 29 HA ALA 29 -1.425 -6.963 -8.184 177 HB1 ALA 29 1HB ALA 29 -0.966 -6.729 -11.010 178 HB2 ALA 29 2HB ALA 29 -0.508 -5.238 -10.187 179 HB3 ALA 29 3HB ALA 29 0.198 -6.774 -9.686 180 H GLY 30 H GLY 30 -1.913 -5.426 -6.768 181 HA2 GLY 30 1HA GLY 30 -3.901 -3.445 -7.300 182 HA3 GLY 30 2HA GLY 30 -2.933 -3.581 -5.839 183 H LEU 31 H LEU 31 -3.410 -1.902 -8.762 184 HA LEU 31 HA LEU 31 -0.842 -0.764 -9.096 185 HB2 LEU 31 1HB LEU 31 -3.555 0.269 -9.907 186 HB3 LEU 31 2HB LEU 31 -2.018 0.937 -10.452 187 HG LEU 31 HG LEU 31 -3.021 -1.849 -11.036 188 HD11 LEU 31 1HD1 LEU 31 -3.185 -0.974 -13.365 189 HD12 LEU 31 2HD1 LEU 31 -2.922 0.646 -12.720 190 HD13 LEU 31 3HD1 LEU 31 -4.350 -0.273 -12.241 191 HD21 LEU 31 1HD2 LEU 31 -0.452 -0.450 -11.485 192 HD22 LEU 31 2HD2 LEU 31 -1.072 -1.434 -12.811 193 HD23 LEU 31 3HD2 LEU 31 -0.784 -2.163 -11.231 194 H LEU 32 H LEU 32 0.175 0.710 -7.919 195 HA LEU 32 HA LEU 32 -1.381 2.694 -6.430 196 HB2 LEU 32 1HB LEU 32 0.911 1.178 -5.201 197 HB3 LEU 32 2HB LEU 32 -0.126 2.369 -4.418 198 HG LEU 32 HG LEU 32 -1.006 -0.357 -5.369 199 HD11 LEU 32 1HD1 LEU 32 0.246 0.560 -2.913 200 HD12 LEU 32 2HD1 LEU 32 -0.038 -1.079 -3.498 201 HD13 LEU 32 3HD1 LEU 32 -1.312 -0.219 -2.635 202 HD21 LEU 32 1HD2 LEU 32 -2.545 1.882 -5.020 203 HD22 LEU 32 2HD2 LEU 32 -2.652 1.096 -3.444 204 HD23 LEU 32 3HD2 LEU 32 -3.116 0.217 -4.901 205 H SER 33 H SER 33 -0.572 4.689 -6.601 206 HA SER 33 HA SER 33 2.204 4.980 -7.548 207 HB2 SER 33 1HB SER 33 0.332 5.512 -9.225 208 HB3 SER 33 2HB SER 33 -0.004 6.921 -8.218 209 HG SER 33 HG SER 33 2.611 6.408 -9.123 210 H VAL 34 H VAL 34 3.488 6.137 -6.276 211 HA VAL 34 HA VAL 34 2.256 7.784 -4.173 212 HB VAL 34 HB VAL 34 5.001 6.530 -4.307 213 HG11 VAL 34 1HG1 VAL 34 4.565 7.432 -1.723 214 HG12 VAL 34 2HG1 VAL 34 5.647 8.150 -2.919 215 HG13 VAL 34 3HG1 VAL 34 3.999 8.755 -2.743 216 HG21 VAL 34 1HG2 VAL 34 3.097 5.958 -2.118 217 HG22 VAL 34 2HG2 VAL 34 2.713 5.280 -3.700 218 HG23 VAL 34 3HG2 VAL 34 4.250 4.896 -2.925 219 H ASP 35 H ASP 35 2.397 9.916 -4.332 220 HA ASP 35 HA ASP 35 4.367 11.066 -6.183 221 HB2 ASP 35 1HB ASP 35 1.778 11.473 -6.323 222 HB3 ASP 35 2HB ASP 35 2.088 12.632 -5.033 223 H CYS 36 H CYS 36 6.169 11.684 -5.186 224 HA CYS 36 HA CYS 36 5.981 12.833 -2.490 225 HB2 CYS 36 1HB CYS 36 7.537 11.108 -2.378 226 HB3 CYS 36 2HB CYS 36 8.161 11.430 -3.991 227 HG CYS 36 HG CYS 36 8.709 13.997 -1.972 228 H SER 37 H SER 37 6.073 14.962 -2.303 229 HA SER 37 HA SER 37 7.405 16.506 -4.430 230 HB2 SER 37 1HB SER 37 5.932 18.410 -3.516 231 HB3 SER 37 2HB SER 37 5.134 17.142 -4.446 232 HG SER 37 HG SER 37 3.988 16.712 -2.751 233 H GLU 38 H GLU 38 6.531 16.953 -0.997 234 HA GLU 38 HA GLU 38 9.240 18.028 -0.557 235 HB2 GLU 38 1HB GLU 38 6.570 18.989 0.368 236 HB3 GLU 38 2HB GLU 38 7.952 19.213 1.431 237 HG2 GLU 38 1HG GLU 38 9.111 20.457 -0.299 238 HG3 GLU 38 2HG GLU 38 7.767 20.193 -1.409 239 H ALA 39 H ALA 39 8.039 15.278 -0.246 240 HA ALA 39 HA ALA 39 7.797 14.700 2.514 241 HB1 ALA 39 1HB ALA 39 6.897 13.223 0.800 242 HB2 ALA 39 2HB ALA 39 8.530 12.866 0.234 243 HB3 ALA 39 3HB ALA 39 8.024 12.357 1.845 244 H GLY 40 H GLY 40 10.459 15.647 0.745 245 HA2 GLY 40 1HA GLY 40 12.693 15.772 1.264 246 HA3 GLY 40 2HA GLY 40 12.259 15.264 2.889 247 HA PRO 41 HA PRO 41 14.862 11.909 1.119 248 HB2 PRO 41 1HB PRO 41 16.178 11.412 3.441 249 HB3 PRO 41 2HB PRO 41 16.678 12.669 2.303 250 HG2 PRO 41 1HG PRO 41 15.090 12.922 4.829 251 HG3 PRO 41 2HG PRO 41 16.406 13.947 4.227 252 HD2 PRO 41 1HD PRO 41 13.798 14.635 3.988 253 HD3 PRO 41 2HD PRO 41 15.021 15.097 2.787 254 H GLY 42 H GLY 42 15.440 9.763 2.635 255 HA2 GLY 42 1HA GLY 42 14.490 8.154 4.134 256 HA3 GLY 42 2HA GLY 42 12.924 8.919 3.905 257 H ALA 43 H ALA 43 13.457 6.132 3.681 258 HA ALA 43 HA ALA 43 13.137 5.675 0.790 259 HB1 ALA 43 1HB ALA 43 13.837 3.413 1.154 260 HB2 ALA 43 2HB ALA 43 15.000 4.485 1.934 261 HB3 ALA 43 3HB ALA 43 13.799 3.632 2.903 262 H LEU 44 H LEU 44 11.401 4.505 0.006 263 HA LEU 44 HA LEU 44 9.089 4.404 1.784 264 HB2 LEU 44 1HB LEU 44 8.543 5.501 -0.187 265 HB3 LEU 44 2HB LEU 44 9.470 4.380 -1.182 266 HG LEU 44 HG LEU 44 7.704 2.643 -0.592 267 HD11 LEU 44 1HD1 LEU 44 6.572 3.548 1.235 268 HD12 LEU 44 2HD1 LEU 44 5.457 3.774 -0.112 269 HD13 LEU 44 3HD1 LEU 44 6.417 5.132 0.475 270 HD21 LEU 44 1HD2 LEU 44 7.962 4.111 -2.728 271 HD22 LEU 44 2HD2 LEU 44 6.510 4.911 -2.127 272 HD23 LEU 44 3HD2 LEU 44 6.485 3.181 -2.474 273 H GLY 45 H GLY 45 7.944 2.563 2.250 274 HA2 GLY 45 1HA GLY 45 8.682 0.041 1.004 275 HA3 GLY 45 2HA GLY 45 9.074 0.187 2.711 276 H LEU 46 H LEU 46 6.930 -1.170 0.763 277 HA LEU 46 HA LEU 46 4.632 -0.655 2.530 278 HB2 LEU 46 1HB LEU 46 4.285 -0.117 0.154 279 HB3 LEU 46 2HB LEU 46 4.658 -1.789 -0.263 280 HG LEU 46 HG LEU 46 2.648 -2.361 1.272 281 HD11 LEU 46 1HD1 LEU 46 2.594 0.163 1.950 282 HD12 LEU 46 2HD1 LEU 46 1.094 -0.739 1.742 283 HD13 LEU 46 3HD1 LEU 46 1.662 0.333 0.462 284 HD21 LEU 46 1HD2 LEU 46 2.963 -1.990 -1.453 285 HD22 LEU 46 2HD2 LEU 46 1.494 -1.093 -1.068 286 HD23 LEU 46 3HD2 LEU 46 1.618 -2.803 -0.653 287 H GLU 47 H GLU 47 3.447 -2.391 3.355 288 HA GLU 47 HA GLU 47 4.628 -5.059 3.009 289 HB2 GLU 47 1HB GLU 47 5.438 -3.998 5.124 290 HB3 GLU 47 2HB GLU 47 3.769 -3.913 5.669 291 HG2 GLU 47 1HG GLU 47 3.633 -6.379 5.479 292 HG3 GLU 47 2HG GLU 47 5.350 -6.403 5.080 293 H ALA 48 H ALA 48 3.078 -6.219 2.075 294 HA ALA 48 HA ALA 48 0.277 -5.717 2.723 295 HB1 ALA 48 1HB ALA 48 -0.062 -6.221 0.591 296 HB2 ALA 48 2HB ALA 48 1.662 -6.541 0.395 297 HB3 ALA 48 3HB ALA 48 0.570 -7.846 0.859 298 H VAL 49 H VAL 49 -0.915 -6.993 3.993 299 HA VAL 49 HA VAL 49 -0.142 -9.760 4.457 300 HB VAL 49 HB VAL 49 -0.326 -7.736 6.690 301 HG11 VAL 49 1HG1 VAL 49 -0.710 -10.663 6.669 302 HG12 VAL 49 2HG1 VAL 49 0.324 -10.018 7.946 303 HG13 VAL 49 3HG1 VAL 49 -1.334 -9.442 7.778 304 HG21 VAL 49 1HG2 VAL 49 1.885 -9.491 5.649 305 HG22 VAL 49 2HG2 VAL 49 1.855 -7.732 5.766 306 HG23 VAL 49 3HG2 VAL 49 1.943 -8.711 7.230 307 H SER 50 H SER 50 -1.850 -11.071 4.869 308 HA SER 50 HA SER 50 -4.493 -9.853 4.716 309 HB2 SER 50 1HB SER 50 -3.727 -11.844 3.288 310 HB3 SER 50 2HB SER 50 -3.903 -12.811 4.752 311 HG SER 50 HG SER 50 -5.909 -11.338 3.395 312 H ASP 51 H ASP 51 -6.221 -10.523 6.132 313 HA ASP 51 HA ASP 51 -5.759 -10.188 8.805 314 HB2 ASP 51 1HB ASP 51 -7.981 -10.972 9.210 315 HB3 ASP 51 2HB ASP 51 -7.994 -10.179 7.637 316 H SER 52 H SER 52 -5.453 -13.114 6.940 317 HA SER 52 HA SER 52 -5.054 -14.718 9.351 318 HB2 SER 52 1HB SER 52 -6.412 -15.435 7.231 319 HB3 SER 52 2HB SER 52 -4.822 -15.809 6.566 320 HG SER 52 HG SER 52 -4.721 -17.502 7.806 321 H GLY 53 H GLY 53 -3.148 -12.640 8.516 322 HA2 GLY 53 1HA GLY 53 -0.879 -12.342 8.319 323 HA3 GLY 53 2HA GLY 53 -0.751 -13.914 9.094 324 H THR 54 H THR 54 -1.654 -12.623 5.893 325 HA THR 54 HA THR 54 0.022 -14.734 4.697 326 HB THR 54 HB THR 54 -2.352 -13.407 3.380 327 HG1 THR 54 1HG THR 54 -2.718 -14.865 5.314 328 HG21 THR 54 1HG2 THR 54 -0.411 -14.534 2.056 329 HG22 THR 54 2HG2 THR 54 -2.082 -14.911 1.636 330 HG23 THR 54 3HG2 THR 54 -1.142 -16.037 2.616 331 H LYS 55 H LYS 55 1.874 -13.863 4.032 332 HA LYS 55 HA LYS 55 2.155 -11.106 3.352 333 HB2 LYS 55 1HB LYS 55 4.020 -13.460 3.018 334 HB3 LYS 55 2HB LYS 55 4.467 -11.798 2.659 335 HG2 LYS 55 1HG LYS 55 4.557 -11.197 4.859 336 HG3 LYS 55 2HG LYS 55 3.369 -12.407 5.352 337 HD2 LYS 55 1HD LYS 55 5.074 -14.167 4.903 338 HD3 LYS 55 2HD LYS 55 6.250 -12.887 4.594 339 HE2 LYS 55 1HE LYS 55 6.487 -13.681 6.864 340 HE3 LYS 55 2HE LYS 55 5.870 -12.029 6.875 341 HZ1 LYS 55 1HZ LYS 55 4.801 -13.897 8.349 342 HZ2 LYS 55 2HZ LYS 55 3.933 -14.222 6.935 343 HZ3 LYS 55 3HZ LYS 55 3.849 -12.689 7.645 344 H ALA 56 H ALA 56 1.575 -10.198 1.502 345 HA ALA 56 HA ALA 56 1.190 -11.857 -0.868 346 HB1 ALA 56 1HB ALA 56 0.566 -9.093 -1.302 347 HB2 ALA 56 2HB ALA 56 -0.505 -10.495 -1.306 348 HB3 ALA 56 3HB ALA 56 -0.167 -9.648 0.203 349 H GLU 57 H GLU 57 2.161 -11.426 -2.864 350 HA GLU 57 HA GLU 57 4.856 -10.629 -2.778 351 HB2 GLU 57 1HB GLU 57 3.529 -12.127 -4.486 352 HB3 GLU 57 2HB GLU 57 3.322 -10.607 -5.346 353 HG2 GLU 57 1HG GLU 57 5.790 -10.330 -5.329 354 HG3 GLU 57 2HG GLU 57 5.920 -11.938 -4.620 355 H VAL 58 H VAL 58 5.560 -8.629 -2.463 356 HA VAL 58 HA VAL 58 4.089 -6.402 -3.715 357 HB VAL 58 HB VAL 58 5.815 -6.374 -1.236 358 HG11 VAL 58 1HG1 VAL 58 5.041 -4.006 -1.049 359 HG12 VAL 58 2HG1 VAL 58 6.142 -4.308 -2.395 360 HG13 VAL 58 3HG1 VAL 58 4.411 -4.139 -2.690 361 HG21 VAL 58 1HG2 VAL 58 3.823 -5.992 -0.008 362 HG22 VAL 58 2HG2 VAL 58 2.877 -5.764 -1.479 363 HG23 VAL 58 3HG2 VAL 58 3.499 -7.362 -1.069 364 H SER 59 H SER 59 5.305 -4.674 -4.614 365 HA SER 59 HA SER 59 8.169 -4.999 -4.935 366 HB2 SER 59 1HB SER 59 7.121 -6.401 -6.741 367 HB3 SER 59 2HB SER 59 6.397 -4.929 -7.386 368 HG SER 59 HG SER 59 8.826 -5.875 -7.829 369 H ILE 60 H ILE 60 9.159 -3.078 -5.063 370 HA ILE 60 HA ILE 60 7.477 -0.707 -5.548 371 HB ILE 60 HB ILE 60 10.019 -0.831 -3.924 372 HG12 ILE 60 1HG1 ILE 60 7.336 -0.331 -2.713 373 HG13 ILE 60 2HG1 ILE 60 7.780 -1.990 -3.101 374 HG21 ILE 60 1HG2 ILE 60 10.001 1.379 -4.145 375 HG22 ILE 60 2HG2 ILE 60 8.462 1.332 -5.003 376 HG23 ILE 60 3HG2 ILE 60 8.487 1.404 -3.241 377 HD11 ILE 60 1HD1 ILE 60 9.347 -2.093 -1.472 378 HD12 ILE 60 2HD1 ILE 60 9.747 -0.379 -1.590 379 HD13 ILE 60 3HD1 ILE 60 8.284 -0.888 -0.747 380 H GLN 61 H GLN 61 8.135 0.818 -6.989 381 HA GLN 61 HA GLN 61 10.749 0.457 -8.280 382 HB2 GLN 61 1HB GLN 61 8.692 -0.501 -9.561 383 HB3 GLN 61 2HB GLN 61 8.336 1.186 -9.906 384 HG2 GLN 61 1HG GLN 61 9.587 0.081 -11.707 385 HG3 GLN 61 2HG GLN 61 10.448 1.457 -11.020 386 HE21 GLN 61 1HE2 GLN 61 12.520 1.128 -10.719 387 HE22 GLN 61 2HE2 GLN 61 13.278 -0.387 -10.381 388 H ASN 62 H ASN 62 11.755 2.319 -8.978 389 HA ASN 62 HA ASN 62 10.521 4.819 -8.049 390 HB2 ASN 62 1HB ASN 62 12.605 4.421 -6.947 391 HB3 ASN 62 2HB ASN 62 13.407 4.035 -8.467 392 HD21 ASN 62 1HD2 ASN 62 12.295 6.533 -6.369 393 HD22 ASN 62 2HD2 ASN 62 13.010 7.858 -7.216 394 H ASN 63 H ASN 63 10.901 6.767 -9.318 395 HA ASN 63 HA ASN 63 11.420 6.287 -12.164 396 HB2 ASN 63 1HB ASN 63 9.024 7.783 -11.076 397 HB3 ASN 63 2HB ASN 63 9.469 7.674 -12.777 398 HD21 ASN 63 1HD2 ASN 63 7.453 6.478 -10.532 399 HD22 ASN 63 2HD2 ASN 63 7.135 4.918 -11.205 400 H LYS 64 H LYS 64 11.201 8.635 -13.280 401 HA LYS 64 HA LYS 64 13.193 10.252 -11.901 402 HB2 LYS 64 1HB LYS 64 12.213 10.026 -14.709 403 HB3 LYS 64 2HB LYS 64 12.931 11.549 -14.202 404 HG2 LYS 64 1HG LYS 64 14.765 10.466 -15.023 405 HG3 LYS 64 2HG LYS 64 14.851 9.999 -13.323 406 HD2 LYS 64 1HD LYS 64 13.754 7.882 -13.837 407 HD3 LYS 64 2HD LYS 64 13.619 8.352 -15.533 408 HE2 LYS 64 1HE LYS 64 16.297 8.329 -14.212 409 HE3 LYS 64 2HE LYS 64 15.575 6.811 -14.740 410 HZ1 LYS 64 1HZ LYS 64 16.171 9.171 -16.440 411 HZ2 LYS 64 2HZ LYS 64 15.350 7.791 -16.973 412 HZ3 LYS 64 3HZ LYS 64 16.962 7.675 -16.472 413 H ASP 65 H ASP 65 9.898 10.120 -12.020 414 HA ASP 65 HA ASP 65 9.508 13.018 -11.907 415 HB2 ASP 65 1HB ASP 65 7.998 11.428 -13.251 416 HB3 ASP 65 2HB ASP 65 7.338 10.941 -11.692 417 H GLY 66 H GLY 66 10.768 11.202 -9.794 418 HA2 GLY 66 1HA GLY 66 10.873 11.209 -7.500 419 HA3 GLY 66 2HA GLY 66 9.776 12.582 -7.535 420 H THR 67 H THR 67 8.450 9.989 -9.189 421 HA THR 67 HA THR 67 6.731 9.370 -6.892 422 HB THR 67 HB THR 67 5.215 8.357 -8.650 423 HG1 THR 67 1HG THR 67 5.646 8.898 -10.795 424 HG21 THR 67 1HG2 THR 67 5.180 11.007 -9.650 425 HG22 THR 67 2HG2 THR 67 5.680 11.087 -7.961 426 HG23 THR 67 3HG2 THR 67 4.162 10.302 -8.396 427 H TYR 68 H TYR 68 5.894 7.102 -6.790 428 HA TYR 68 HA TYR 68 7.919 5.147 -7.648 429 HB2 TYR 68 1HB TYR 68 6.621 5.349 -4.925 430 HB3 TYR 68 2HB TYR 68 7.581 3.976 -5.464 431 HD1 TYR 68 2HD TYR 68 7.803 7.677 -5.042 432 HD2 TYR 68 1HD TYR 68 9.861 3.954 -5.039 433 HE1 TYR 68 2HE TYR 68 9.845 8.813 -4.275 434 HE2 TYR 68 1HE TYR 68 11.909 5.079 -4.270 435 HH TYR 68 HH TYR 68 11.911 8.342 -3.175 436 H ALA 69 H ALA 69 7.171 3.120 -8.204 437 HA ALA 69 HA ALA 69 4.258 2.921 -8.541 438 HB1 ALA 69 1HB ALA 69 6.134 2.718 -10.446 439 HB2 ALA 69 2HB ALA 69 6.021 1.026 -9.960 440 HB3 ALA 69 3HB ALA 69 4.584 1.880 -10.520 441 H VAL 70 H VAL 70 3.533 1.979 -6.691 442 HA VAL 70 HA VAL 70 4.866 -0.440 -5.718 443 HB VAL 70 HB VAL 70 2.776 1.356 -4.503 444 HG11 VAL 70 1HG1 VAL 70 2.049 -0.826 -3.916 445 HG12 VAL 70 2HG1 VAL 70 3.698 -1.357 -3.578 446 HG13 VAL 70 3HG1 VAL 70 2.913 -0.185 -2.518 447 HG21 VAL 70 1HG2 VAL 70 5.399 0.513 -3.317 448 HG22 VAL 70 2HG2 VAL 70 5.296 1.857 -4.455 449 HG23 VAL 70 3HG2 VAL 70 4.409 1.921 -2.932 450 H THR 71 H THR 71 3.975 -2.427 -5.819 451 HA THR 71 HA THR 71 1.183 -2.697 -6.668 452 HB THR 71 HB THR 71 3.177 -4.515 -7.945 453 HG1 THR 71 1HG THR 71 3.427 -3.003 -9.648 454 HG21 THR 71 1HG2 THR 71 0.618 -3.290 -8.978 455 HG22 THR 71 2HG2 THR 71 0.710 -4.839 -8.141 456 HG23 THR 71 3HG2 THR 71 1.524 -4.624 -9.690 457 H TYR 72 H TYR 72 0.158 -4.552 -5.962 458 HA TYR 72 HA TYR 72 1.740 -6.458 -4.389 459 HB2 TYR 72 1HB TYR 72 0.353 -6.314 -2.496 460 HB3 TYR 72 2HB TYR 72 0.623 -4.638 -2.960 461 HD1 TYR 72 2HD TYR 72 -1.825 -7.417 -3.159 462 HD2 TYR 72 1HD TYR 72 -1.186 -3.223 -3.480 463 HE1 TYR 72 2HE TYR 72 -4.257 -7.060 -3.259 464 HE2 TYR 72 1HE TYR 72 -3.616 -2.854 -3.579 465 HH TYR 72 HH TYR 72 -5.668 -3.937 -2.991 466 H VAL 73 H VAL 73 1.262 -8.501 -4.856 467 HA VAL 73 HA VAL 73 -1.226 -9.043 -6.333 468 HB VAL 73 HB VAL 73 1.353 -10.616 -6.291 469 HG11 VAL 73 1HG1 VAL 73 0.159 -12.349 -6.999 470 HG12 VAL 73 2HG1 VAL 73 -1.318 -11.383 -7.005 471 HG13 VAL 73 3HG1 VAL 73 -0.277 -11.415 -8.429 472 HG21 VAL 73 1HG2 VAL 73 1.739 -9.832 -8.489 473 HG22 VAL 73 2HG2 VAL 73 0.121 -9.141 -8.607 474 HG23 VAL 73 3HG2 VAL 73 1.315 -8.411 -7.534 475 HA PRO 74 HA PRO 74 -2.230 -11.075 -2.411 476 HB2 PRO 74 1HB PRO 74 -4.893 -11.207 -2.922 477 HB3 PRO 74 2HB PRO 74 -4.103 -9.750 -2.308 478 HG2 PRO 74 1HG PRO 74 -4.902 -10.435 -5.111 479 HG3 PRO 74 2HG PRO 74 -5.079 -8.900 -4.240 480 HD2 PRO 74 1HD PRO 74 -3.090 -9.342 -6.024 481 HD3 PRO 74 2HD PRO 74 -2.885 -8.295 -4.605 482 H LEU 75 H LEU 75 -2.081 -13.203 -2.110 483 HA LEU 75 HA LEU 75 -2.479 -15.013 -4.335 484 HB2 LEU 75 1HB LEU 75 -1.479 -15.387 -1.523 485 HB3 LEU 75 2HB LEU 75 -1.704 -16.728 -2.644 486 HG LEU 75 HG LEU 75 0.119 -14.396 -3.204 487 HD11 LEU 75 1HD1 LEU 75 1.776 -16.472 -2.705 488 HD12 LEU 75 2HD1 LEU 75 0.508 -16.771 -1.518 489 HD13 LEU 75 3HD1 LEU 75 1.360 -15.227 -1.526 490 HD21 LEU 75 1HD2 LEU 75 1.089 -16.467 -4.599 491 HD22 LEU 75 2HD2 LEU 75 -0.115 -15.349 -5.242 492 HD23 LEU 75 3HD2 LEU 75 -0.620 -16.905 -4.580 493 H THR 76 H THR 76 -3.884 -14.428 -1.141 494 HA THR 76 HA THR 76 -6.127 -16.190 -1.890 495 HB THR 76 HB THR 76 -4.846 -17.062 0.032 496 HG1 THR 76 1HG THR 76 -6.788 -16.964 1.527 497 HG21 THR 76 1HG2 THR 76 -4.495 -14.493 0.784 498 HG22 THR 76 2HG2 THR 76 -4.324 -15.863 1.881 499 HG23 THR 76 3HG2 THR 76 -5.830 -14.947 1.842 500 H ALA 77 H ALA 77 -8.173 -15.411 -1.734 501 HA ALA 77 HA ALA 77 -8.567 -12.609 -1.694 502 HB1 ALA 77 1HB ALA 77 -10.571 -13.101 -2.545 503 HB2 ALA 77 2HB ALA 77 -10.010 -14.773 -2.574 504 HB3 ALA 77 3HB ALA 77 -10.968 -14.188 -1.213 505 H GLY 78 H GLY 78 -9.870 -11.369 -0.220 506 HA2 GLY 78 1HA GLY 78 -11.097 -11.695 2.028 507 HA3 GLY 78 2HA GLY 78 -9.529 -12.289 2.554 508 H MET 79 H MET 79 -10.161 -10.404 4.097 509 HA MET 79 HA MET 79 -9.677 -7.758 3.086 510 HB2 MET 79 1HB MET 79 -10.029 -8.876 5.864 511 HB3 MET 79 2HB MET 79 -9.679 -7.179 5.567 512 HG2 MET 79 1HG MET 79 -12.075 -8.691 4.552 513 HG3 MET 79 2HG MET 79 -12.056 -7.560 5.903 514 HE1 MET 79 1HE MET 79 -11.743 -4.130 4.373 515 HE2 MET 79 2HE MET 79 -11.673 -5.160 5.803 516 HE3 MET 79 3HE MET 79 -10.263 -5.011 4.753 517 H TYR 80 H TYR 80 -7.746 -6.922 2.691 518 HA TYR 80 HA TYR 80 -5.387 -8.142 3.934 519 HB2 TYR 80 1HB TYR 80 -5.891 -6.694 1.384 520 HB3 TYR 80 2HB TYR 80 -4.300 -6.514 2.116 521 HD1 TYR 80 2HD TYR 80 -6.663 -8.897 0.611 522 HD2 TYR 80 1HD TYR 80 -2.741 -8.342 2.162 523 HE1 TYR 80 2HE TYR 80 -5.980 -11.050 -0.362 524 HE2 TYR 80 1HE TYR 80 -2.046 -10.493 1.192 525 HH TYR 80 HH TYR 80 -3.836 -12.131 -1.115 526 H THR 81 H THR 81 -3.573 -6.628 4.459 527 HA THR 81 HA THR 81 -4.572 -4.069 5.520 528 HB THR 81 HB THR 81 -2.696 -5.978 6.929 529 HG1 THR 81 1HG THR 81 -5.372 -5.151 7.451 530 HG21 THR 81 1HG2 THR 81 -3.257 -3.118 7.279 531 HG22 THR 81 2HG2 THR 81 -1.891 -4.082 7.839 532 HG23 THR 81 3HG2 THR 81 -3.399 -4.076 8.752 533 H LEU 82 H LEU 82 -3.653 -2.763 3.993 534 HA LEU 82 HA LEU 82 -0.920 -3.101 3.157 535 HB2 LEU 82 1HB LEU 82 -2.546 -0.636 2.674 536 HB3 LEU 82 2HB LEU 82 -1.293 -1.354 1.664 537 HG LEU 82 HG LEU 82 -3.979 -2.643 2.099 538 HD11 LEU 82 1HD1 LEU 82 -4.663 -0.712 1.058 539 HD12 LEU 82 2HD1 LEU 82 -4.293 -1.736 -0.329 540 HD13 LEU 82 3HD1 LEU 82 -3.140 -0.508 0.193 541 HD21 LEU 82 1HD2 LEU 82 -1.588 -3.163 0.415 542 HD22 LEU 82 2HD2 LEU 82 -3.176 -3.509 -0.271 543 HD23 LEU 82 3HD2 LEU 82 -2.671 -4.294 1.226 544 H THR 83 H THR 83 0.799 -2.375 4.205 545 HA THR 83 HA THR 83 0.479 -0.067 6.012 546 HB THR 83 HB THR 83 2.431 -2.336 6.423 547 HG1 THR 83 1HG THR 83 0.894 -2.809 8.206 548 HG21 THR 83 1HG2 THR 83 2.099 0.263 7.606 549 HG22 THR 83 2HG2 THR 83 3.340 -0.952 7.915 550 HG23 THR 83 3HG2 THR 83 1.825 -0.990 8.816 551 H MET 84 H MET 84 1.352 1.594 4.919 552 HA MET 84 HA MET 84 3.928 1.179 3.565 553 HB2 MET 84 1HB MET 84 1.957 2.106 2.271 554 HB3 MET 84 2HB MET 84 2.087 3.551 3.265 555 HG2 MET 84 1HG MET 84 4.381 3.881 2.458 556 HG3 MET 84 2HG MET 84 4.208 2.458 1.432 557 HE1 MET 84 1HE MET 84 2.146 3.546 -1.508 558 HE2 MET 84 2HE MET 84 3.495 2.563 -0.938 559 HE3 MET 84 3HE MET 84 1.890 2.352 -0.235 560 H LYS 85 H LYS 85 5.726 2.159 4.275 561 HA LYS 85 HA LYS 85 5.460 4.292 6.283 562 HB2 LYS 85 1HB LYS 85 6.938 1.714 6.471 563 HB3 LYS 85 2HB LYS 85 7.699 3.139 7.167 564 HG2 LYS 85 1HG LYS 85 5.327 3.438 8.279 565 HG3 LYS 85 2HG LYS 85 5.243 1.696 8.003 566 HD2 LYS 85 1HD LYS 85 7.666 1.784 9.071 567 HD3 LYS 85 2HD LYS 85 7.027 3.260 9.798 568 HE2 LYS 85 1HE LYS 85 5.115 1.974 10.666 569 HE3 LYS 85 2HE LYS 85 5.809 0.506 9.980 570 HZ1 LYS 85 1HZ LYS 85 6.415 1.792 12.434 571 HZ2 LYS 85 2HZ LYS 85 7.811 1.650 11.490 572 HZ3 LYS 85 3HZ LYS 85 6.907 0.273 11.876 573 H TYR 86 H TYR 86 6.422 6.073 5.589 574 HA TYR 86 HA TYR 86 8.649 5.829 3.684 575 HB2 TYR 86 1HB TYR 86 6.508 7.125 3.090 576 HB3 TYR 86 2HB TYR 86 7.084 8.347 4.218 577 HD1 TYR 86 1HD TYR 86 9.120 9.631 3.727 578 HD2 TYR 86 2HD TYR 86 7.553 6.819 0.945 579 HE1 TYR 86 1HE TYR 86 10.511 10.618 1.956 580 HE2 TYR 86 2HE TYR 86 8.941 7.798 -0.835 581 HH TYR 86 HH TYR 86 10.775 10.735 -0.328 582 H GLY 87 H GLY 87 10.582 6.006 4.601 583 HA2 GLY 87 1HA GLY 87 12.328 6.899 5.803 584 HA3 GLY 87 2HA GLY 87 11.325 8.313 6.088 585 H GLY 88 H GLY 88 10.489 5.017 7.004 586 HA2 GLY 88 1HA GLY 88 10.410 4.002 9.084 587 HA3 GLY 88 2HA GLY 88 11.303 5.364 9.743 588 H GLU 89 H GLU 89 8.777 6.646 8.073 589 HA GLU 89 HA GLU 89 7.056 6.667 10.466 590 HB2 GLU 89 1HB GLU 89 7.359 8.904 8.458 591 HB3 GLU 89 2HB GLU 89 6.443 8.947 9.958 592 HG2 GLU 89 1HG GLU 89 8.813 8.361 10.985 593 HG3 GLU 89 2HG GLU 89 9.363 9.151 9.508 594 H LEU 90 H LEU 90 4.870 6.436 10.198 595 HA LEU 90 HA LEU 90 3.989 5.129 7.824 596 HB2 LEU 90 1HB LEU 90 2.798 5.886 10.430 597 HB3 LEU 90 2HB LEU 90 1.689 5.590 9.093 598 HG LEU 90 HG LEU 90 3.743 3.604 10.059 599 HD11 LEU 90 1HD1 LEU 90 2.068 4.081 11.793 600 HD12 LEU 90 2HD1 LEU 90 1.916 2.447 11.147 601 HD13 LEU 90 3HD1 LEU 90 0.786 3.704 10.642 602 HD21 LEU 90 1HD2 LEU 90 3.174 2.384 8.295 603 HD22 LEU 90 2HD2 LEU 90 2.239 3.754 7.694 604 HD23 LEU 90 3HD2 LEU 90 1.462 2.526 8.695 605 H VAL 91 H VAL 91 2.293 5.794 6.411 606 HA VAL 91 HA VAL 91 2.295 8.686 5.955 607 HB VAL 91 HB VAL 91 1.029 7.791 3.789 608 HG11 VAL 91 1HG1 VAL 91 3.991 7.368 3.916 609 HG12 VAL 91 2HG1 VAL 91 3.018 8.078 2.626 610 HG13 VAL 91 3HG1 VAL 91 3.301 8.979 4.116 611 HG21 VAL 91 1HG2 VAL 91 1.567 5.632 3.122 612 HG22 VAL 91 2HG2 VAL 91 2.876 5.487 4.295 613 HG23 VAL 91 3HG2 VAL 91 1.198 5.430 4.835 614 HA PRO 92 HA PRO 92 -1.903 9.322 7.064 615 HB2 PRO 92 1HB PRO 92 -2.765 11.033 5.141 616 HB3 PRO 92 2HB PRO 92 -1.643 11.512 6.420 617 HG2 PRO 92 1HG PRO 92 -1.067 10.747 3.584 618 HG3 PRO 92 2HG PRO 92 -0.384 12.071 4.546 619 HD2 PRO 92 1HD PRO 92 0.932 9.740 4.133 620 HD3 PRO 92 2HD PRO 92 1.106 10.684 5.627 621 H HIS 93 H HIS 93 -1.096 7.475 4.471 622 HA HIS 93 HA HIS 93 -3.914 6.929 3.801 623 HB2 HIS 93 1HB HIS 93 -1.453 6.969 2.093 624 HB3 HIS 93 2HB HIS 93 -2.789 5.905 1.662 625 HD1 HIS 93 1HD HIS 93 -4.576 6.926 0.280 626 HD2 HIS 93 2HD HIS 93 -2.324 9.790 2.277 627 HE1 HIS 93 1HE HIS 93 -5.413 9.144 -0.558 628 HE2 HIS 93 2HE HIS 93 -3.978 10.860 0.600 629 H PHE 94 H PHE 94 -1.787 5.825 5.790 630 HA PHE 94 HA PHE 94 -2.632 3.069 5.505 631 HB2 PHE 94 1HB PHE 94 0.305 3.796 5.543 632 HB3 PHE 94 2HB PHE 94 -0.344 2.163 5.655 633 HD1 PHE 94 2HD PHE 94 -0.374 5.151 3.437 634 HD2 PHE 94 1HD PHE 94 -0.613 0.912 3.736 635 HE1 PHE 94 2HE PHE 94 -0.353 4.980 0.982 636 HE2 PHE 94 1HE PHE 94 -0.591 0.734 1.282 637 HZ PHE 94 HZ PHE 94 -0.462 2.770 -0.098 638 HA PRO 95 HA PRO 95 -1.786 1.104 6.501 639 HB2 PRO 95 1HB PRO 95 -3.393 -0.357 8.130 640 HB3 PRO 95 2HB PRO 95 -1.650 -0.208 8.382 641 HG2 PRO 95 1HG PRO 95 -3.891 1.256 9.724 642 HG3 PRO 95 2HG PRO 95 -2.424 0.558 10.437 643 HD2 PRO 95 1HD PRO 95 -2.671 3.203 9.908 644 HD3 PRO 95 2HD PRO 95 -1.116 2.351 9.812 645 H ALA 96 H ALA 96 -3.375 0.233 5.158 646 HA ALA 96 HA ALA 96 -6.111 1.229 5.429 647 HB1 ALA 96 1HB ALA 96 -6.190 2.400 3.495 648 HB2 ALA 96 2HB ALA 96 -4.469 2.605 3.825 649 HB3 ALA 96 3HB ALA 96 -5.008 1.367 2.691 650 H ARG 97 H ARG 97 -7.305 -0.556 5.455 651 HA ARG 97 HA ARG 97 -6.446 -3.016 4.285 652 HB2 ARG 97 1HB ARG 97 -8.209 -3.980 5.381 653 HB3 ARG 97 2HB ARG 97 -8.055 -2.507 6.329 654 HG2 ARG 97 1HG ARG 97 -9.998 -2.953 4.072 655 HG3 ARG 97 2HG ARG 97 -10.380 -2.988 5.795 656 HD2 ARG 97 1HD ARG 97 -9.244 -0.586 5.690 657 HD3 ARG 97 2HD ARG 97 -9.792 -0.686 4.017 658 HE ARG 97 HE ARG 97 -11.969 -1.398 5.513 659 HH11 ARG 97 1HH1 ARG 97 -9.858 1.366 5.360 660 HH12 ARG 97 2HH1 ARG 97 -11.078 2.490 5.860 661 HH21 ARG 97 1HH2 ARG 97 -13.584 0.072 6.173 662 HH22 ARG 97 2HH2 ARG 97 -13.197 1.752 6.323 663 H VAL 98 H VAL 98 -7.762 -4.257 2.732 664 HA VAL 98 HA VAL 98 -9.445 -2.733 0.926 665 HB VAL 98 HB VAL 98 -6.823 -3.919 0.012 666 HG11 VAL 98 1HG1 VAL 98 -9.012 -2.735 -1.690 667 HG12 VAL 98 2HG1 VAL 98 -7.479 -3.411 -2.247 668 HG13 VAL 98 3HG1 VAL 98 -8.696 -4.462 -1.521 669 HG21 VAL 98 1HG2 VAL 98 -6.651 -1.675 0.956 670 HG22 VAL 98 2HG2 VAL 98 -6.364 -1.651 -0.784 671 HG23 VAL 98 3HG2 VAL 98 -7.913 -1.110 -0.138 672 H LYS 99 H LYS 99 -11.147 -4.023 0.731 673 HA LYS 99 HA LYS 99 -11.112 -6.808 1.178 674 HB2 LYS 99 1HB LYS 99 -13.091 -5.204 1.361 675 HB3 LYS 99 2HB LYS 99 -13.226 -5.335 -0.388 676 HG2 LYS 99 1HG LYS 99 -13.357 -7.856 -0.016 677 HG3 LYS 99 2HG LYS 99 -13.632 -7.464 1.683 678 HD2 LYS 99 1HD LYS 99 -15.623 -6.273 1.174 679 HD3 LYS 99 2HD LYS 99 -15.278 -6.304 -0.557 680 HE2 LYS 99 1HE LYS 99 -16.873 -7.970 -0.321 681 HE3 LYS 99 2HE LYS 99 -15.359 -8.873 -0.286 682 HZ1 LYS 99 1HZ LYS 99 -17.372 -8.761 1.668 683 HZ2 LYS 99 2HZ LYS 99 -15.955 -8.119 2.330 684 HZ3 LYS 99 3HZ LYS 99 -15.950 -9.678 1.673 685 H VAL 100 H VAL 100 -10.265 -8.311 -0.091 686 HA VAL 100 HA VAL 100 -10.064 -7.811 -2.974 687 HB VAL 100 HB VAL 100 -8.619 -9.703 -1.135 688 HG11 VAL 100 1HG1 VAL 100 -7.432 -10.487 -3.223 689 HG12 VAL 100 2HG1 VAL 100 -9.086 -11.067 -3.013 690 HG13 VAL 100 3HG1 VAL 100 -8.747 -9.753 -4.141 691 HG21 VAL 100 1HG2 VAL 100 -6.804 -8.388 -1.450 692 HG22 VAL 100 2HG2 VAL 100 -7.231 -8.009 -3.118 693 HG23 VAL 100 3HG2 VAL 100 -8.032 -7.168 -1.791 694 H GLU 101 H GLU 101 -11.075 -9.050 -4.463 695 HA GLU 101 HA GLU 101 -12.988 -11.024 -3.455 696 HB2 GLU 101 1HB GLU 101 -12.843 -9.286 -5.872 697 HB3 GLU 101 2HB GLU 101 -13.710 -10.809 -6.004 698 HG2 GLU 101 1HG GLU 101 -14.300 -8.917 -3.768 699 HG3 GLU 101 2HG GLU 101 -15.001 -8.672 -5.367 700 HA PRO 102 HA PRO 102 -10.855 -14.491 -5.095 701 HB2 PRO 102 1HB PRO 102 -12.922 -16.078 -5.856 702 HB3 PRO 102 2HB PRO 102 -12.500 -15.796 -4.163 703 HG2 PRO 102 1HG PRO 102 -14.638 -14.515 -5.822 704 HG3 PRO 102 2HG PRO 102 -14.719 -15.100 -4.150 705 HD2 PRO 102 1HD PRO 102 -14.411 -12.481 -4.763 706 HD3 PRO 102 2HD PRO 102 -13.706 -13.210 -3.306 707 H ALA 103 H ALA 103 -10.167 -15.453 -7.007 708 HA ALA 103 HA ALA 103 -10.876 -14.007 -9.429 709 HB1 ALA 103 1HB ALA 103 -8.489 -14.589 -8.643 710 HB2 ALA 103 2HB ALA 103 -8.833 -16.193 -9.294 711 HB3 ALA 103 3HB ALA 103 -8.889 -14.782 -10.350 712 H VAL 104 H VAL 104 -12.878 -15.749 -8.374 713 HA VAL 104 HA VAL 104 -13.000 -18.278 -9.514 714 HB VAL 104 HB VAL 104 -15.472 -18.047 -9.392 715 HG11 VAL 104 1HG1 VAL 104 -14.952 -16.963 -6.810 716 HG12 VAL 104 2HG1 VAL 104 -15.208 -18.647 -7.272 717 HG13 VAL 104 3HG1 VAL 104 -13.582 -17.963 -7.290 718 HG21 VAL 104 1HG2 VAL 104 -15.954 -15.843 -9.953 719 HG22 VAL 104 2HG2 VAL 104 -16.231 -15.879 -8.212 720 HG23 VAL 104 3HG2 VAL 104 -14.738 -15.193 -8.854 721 H ASP 105 H ASP 105 -13.234 -19.016 -11.523 722 HA ASP 105 HA ASP 105 -14.700 -17.641 -13.544 723 HB2 ASP 105 1HB ASP 105 -13.012 -16.911 -14.982 724 HB3 ASP 105 2HB ASP 105 -12.403 -16.446 -13.396 725 H THR 106 H THR 106 -14.525 -18.795 -15.680 726 HA THR 106 HA THR 106 -14.058 -21.665 -15.202 727 HB THR 106 HB THR 106 -15.976 -20.433 -17.188 728 HG1 THR 106 1HG THR 106 -16.799 -21.877 -14.920 729 HG21 THR 106 1HG2 THR 106 -16.110 -23.260 -16.254 730 HG22 THR 106 2HG2 THR 106 -14.895 -22.828 -17.458 731 HG23 THR 106 3HG2 THR 106 -16.605 -22.556 -17.793 732 H SER 107 H SER 107 -11.969 -21.839 -15.941 733 HA SER 107 HA SER 107 -10.837 -20.611 -18.148 734 HB2 SER 107 1HB SER 107 -9.639 -21.972 -16.392 735 HB3 SER 107 2HB SER 107 -10.189 -23.420 -17.234 736 HG SER 107 HG SER 107 -8.171 -22.930 -18.012 737 H SER 108 H SER 108 -10.313 -21.440 -20.262 738 HA SER 108 HA SER 108 -12.567 -22.882 -21.426 739 HB2 SER 108 1HB SER 108 -11.561 -22.149 -23.603 740 HB3 SER 108 2HB SER 108 -11.986 -20.816 -22.530 741 HG SER 108 HG SER 108 -9.530 -21.617 -23.450 742 H GLY 109 H GLY 109 -9.018 -23.040 -21.334 743 HA2 GLY 109 1HA GLY 109 -8.691 -25.718 -21.032 744 HA3 GLY 109 2HA GLY 109 -8.956 -25.546 -22.760 745 HA PRO 110 HA PRO 110 -4.750 -23.462 -21.420 746 HB2 PRO 110 1HB PRO 110 -3.540 -24.815 -19.401 747 HB3 PRO 110 2HB PRO 110 -4.598 -23.426 -19.128 748 HG2 PRO 110 1HG PRO 110 -5.214 -26.347 -18.909 749 HG3 PRO 110 2HG PRO 110 -5.680 -25.021 -17.828 750 HD2 PRO 110 1HD PRO 110 -7.375 -26.072 -19.660 751 HD3 PRO 110 2HD PRO 110 -7.425 -24.363 -19.183 752 H SER 111 H SER 111 -4.374 -24.478 -23.465 753 HA SER 111 HA SER 111 -2.778 -26.947 -23.255 754 HB2 SER 111 1HB SER 111 -4.759 -26.143 -25.388 755 HB3 SER 111 2HB SER 111 -3.562 -27.414 -25.632 756 HG SER 111 HG SER 111 -5.401 -28.396 -24.894 757 H SER 112 H SER 112 -0.988 -27.132 -24.649 758 HA SER 112 HA SER 112 0.974 -26.247 -25.446 759 HB2 SER 112 1HB SER 112 -1.203 -25.374 -27.304 760 HB3 SER 112 2HB SER 112 0.439 -24.796 -27.586 761 HG SER 112 HG SER 112 0.854 -27.253 -27.233 762 H GLY 113 H GLY 113 0.343 -24.851 -23.225 763 HA2 GLY 113 1HA GLY 113 1.594 -22.323 -23.732 764 HA3 GLY 113 2HA GLY 113 -0.104 -22.147 -23.313 Start of MODEL 18 1 H1 GLY 1 H GLY 1 27.170 13.166 -3.337 2 HA2 GLY 1 1HA GLY 1 27.443 11.122 -4.493 3 HA3 GLY 1 2HA GLY 1 26.610 10.641 -3.022 4 H SER 2 H SER 2 24.410 10.135 -3.095 5 HA SER 2 HA SER 2 23.503 9.268 -5.714 6 HB2 SER 2 1HB SER 2 21.727 8.098 -4.468 7 HB3 SER 2 2HB SER 2 23.322 7.716 -3.820 8 HG SER 2 HG SER 2 21.211 8.892 -2.602 9 H SER 3 H SER 3 22.326 11.327 -3.069 10 HA SER 3 HA SER 3 20.832 12.907 -5.012 11 HB2 SER 3 1HB SER 3 18.791 12.869 -3.596 12 HB3 SER 3 2HB SER 3 19.183 11.282 -4.257 13 HG SER 3 HG SER 3 18.649 11.225 -2.013 14 H GLY 4 H GLY 4 20.577 15.045 -4.441 15 HA2 GLY 4 1HA GLY 4 22.302 15.969 -2.306 16 HA3 GLY 4 2HA GLY 4 21.471 16.971 -3.487 17 H SER 5 H SER 5 21.358 18.093 -1.200 18 HA SER 5 HA SER 5 19.197 17.134 0.461 19 HB2 SER 5 1HB SER 5 21.288 18.391 1.268 20 HB3 SER 5 2HB SER 5 20.500 19.846 0.660 21 HG SER 5 HG SER 5 19.833 18.226 2.831 22 H SER 6 H SER 6 17.286 17.212 -0.623 23 HA SER 6 HA SER 6 16.520 19.483 -2.210 24 HB2 SER 6 1HB SER 6 15.805 16.973 -2.451 25 HB3 SER 6 2HB SER 6 14.569 17.407 -1.269 26 HG SER 6 HG SER 6 14.746 18.035 -3.921 27 H GLY 7 H GLY 7 15.019 17.994 0.672 28 HA2 GLY 7 1HA GLY 7 14.736 20.539 1.974 29 HA3 GLY 7 2HA GLY 7 13.218 19.945 1.317 30 HA PRO 8 HA PRO 8 13.765 18.275 5.625 31 HB2 PRO 8 1HB PRO 8 11.296 19.004 6.488 32 HB3 PRO 8 2HB PRO 8 12.698 20.078 6.569 33 HG2 PRO 8 1HG PRO 8 10.490 19.996 4.549 34 HG3 PRO 8 2HG PRO 8 11.247 21.400 5.323 35 HD2 PRO 8 1HD PRO 8 11.887 20.597 2.818 36 HD3 PRO 8 2HD PRO 8 13.064 21.361 3.906 37 H PHE 9 H PHE 9 12.871 16.386 6.450 38 HA PHE 9 HA PHE 9 11.403 14.787 4.537 39 HB2 PHE 9 1HB PHE 9 13.049 13.494 5.516 40 HB3 PHE 9 2HB PHE 9 12.857 14.256 7.092 41 HD1 PHE 9 2HD PHE 9 11.029 13.577 8.583 42 HD2 PHE 9 1HD PHE 9 11.763 11.591 4.891 43 HE1 PHE 9 2HE PHE 9 9.647 11.684 9.331 44 HE2 PHE 9 1HE PHE 9 10.382 9.694 5.632 45 HZ PHE 9 HZ PHE 9 9.323 9.739 7.855 46 H ASP 10 H ASP 10 9.367 13.935 4.797 47 HA ASP 10 HA ASP 10 7.843 14.173 7.181 48 HB2 ASP 10 1HB ASP 10 7.523 16.270 5.067 49 HB3 ASP 10 2HB ASP 10 6.108 15.731 5.968 50 HA PRO 11 HA PRO 11 6.099 10.860 4.740 51 HB2 PRO 11 1HB PRO 11 4.562 9.855 6.740 52 HB3 PRO 11 2HB PRO 11 6.301 9.562 6.625 53 HG2 PRO 11 1HG PRO 11 4.822 11.545 8.310 54 HG3 PRO 11 2HG PRO 11 6.188 10.503 8.748 55 HD2 PRO 11 1HD PRO 11 6.492 13.123 8.135 56 HD3 PRO 11 2HD PRO 11 7.734 11.908 7.774 57 H SER 12 H SER 12 4.353 13.285 6.567 58 HA SER 12 HA SER 12 1.753 12.648 5.640 59 HB2 SER 12 1HB SER 12 2.792 15.334 6.574 60 HB3 SER 12 2HB SER 12 1.104 14.828 6.505 61 HG SER 12 HG SER 12 2.830 13.206 7.954 62 H LYS 13 H LYS 13 4.376 14.547 4.339 63 HA LYS 13 HA LYS 13 2.853 15.917 2.362 64 HB2 LYS 13 1HB LYS 13 5.814 15.303 2.398 65 HB3 LYS 13 2HB LYS 13 5.019 16.499 1.383 66 HG2 LYS 13 1HG LYS 13 5.144 16.565 4.392 67 HG3 LYS 13 2HG LYS 13 6.145 17.519 3.296 68 HD2 LYS 13 1HD LYS 13 3.136 17.644 3.510 69 HD3 LYS 13 2HD LYS 13 4.271 18.832 4.157 70 HE2 LYS 13 1HE LYS 13 3.767 19.851 2.185 71 HE3 LYS 13 2HE LYS 13 5.108 18.844 1.642 72 HZ1 LYS 13 1HZ LYS 13 3.759 17.564 0.410 73 HZ2 LYS 13 2HZ LYS 13 2.714 18.893 0.469 74 HZ3 LYS 13 3HZ LYS 13 2.494 17.597 1.534 75 H VAL 14 H VAL 14 3.623 12.704 2.685 76 HA VAL 14 HA VAL 14 4.019 12.127 -0.126 77 HB VAL 14 HB VAL 14 3.551 10.196 2.149 78 HG11 VAL 14 1HG1 VAL 14 3.419 9.705 -0.527 79 HG12 VAL 14 2HG1 VAL 14 5.117 9.365 -0.185 80 HG13 VAL 14 3HG1 VAL 14 3.850 8.511 0.697 81 HG21 VAL 14 1HG2 VAL 14 6.195 10.976 0.939 82 HG22 VAL 14 2HG2 VAL 14 5.550 11.708 2.408 83 HG23 VAL 14 3HG2 VAL 14 5.906 9.981 2.366 84 H VAL 15 H VAL 15 2.501 11.518 -1.549 85 HA VAL 15 HA VAL 15 -0.243 11.144 -0.539 86 HB VAL 15 HB VAL 15 0.629 12.209 -3.229 87 HG11 VAL 15 1HG1 VAL 15 -2.151 12.582 -2.467 88 HG12 VAL 15 2HG1 VAL 15 -1.462 11.970 -3.972 89 HG13 VAL 15 3HG1 VAL 15 -1.708 10.881 -2.606 90 HG21 VAL 15 1HG2 VAL 15 -0.928 13.757 -1.204 91 HG22 VAL 15 2HG2 VAL 15 0.826 13.643 -1.059 92 HG23 VAL 15 3HG2 VAL 15 0.105 14.339 -2.510 93 H ALA 16 H ALA 16 -1.103 9.200 -0.815 94 HA ALA 16 HA ALA 16 -0.043 7.483 -2.965 95 HB1 ALA 16 1HB ALA 16 0.330 6.978 -0.348 96 HB2 ALA 16 2HB ALA 16 -1.207 6.151 -0.608 97 HB3 ALA 16 3HB ALA 16 0.201 5.721 -1.579 98 H SER 17 H SER 17 -1.488 6.602 -4.321 99 HA SER 17 HA SER 17 -4.253 6.240 -3.563 100 HB2 SER 17 1HB SER 17 -3.490 8.214 -5.727 101 HB3 SER 17 2HB SER 17 -5.125 7.613 -5.453 102 HG SER 17 HG SER 17 -4.866 9.571 -4.385 103 H GLY 18 H GLY 18 -5.490 5.660 -5.800 104 HA2 GLY 18 1HA GLY 18 -4.850 4.601 -8.019 105 HA3 GLY 18 2HA GLY 18 -3.788 3.594 -7.045 106 HA PRO 19 HA PRO 19 -8.102 1.707 -7.529 107 HB2 PRO 19 1HB PRO 19 -7.388 -0.394 -9.093 108 HB3 PRO 19 2HB PRO 19 -7.897 1.165 -9.752 109 HG2 PRO 19 1HG PRO 19 -5.132 0.083 -9.368 110 HG3 PRO 19 2HG PRO 19 -5.806 0.966 -10.750 111 HD2 PRO 19 1HD PRO 19 -4.257 2.156 -8.875 112 HD3 PRO 19 2HD PRO 19 -5.561 3.014 -9.721 113 H GLY 20 H GLY 20 -4.877 0.467 -6.920 114 HA2 GLY 20 1HA GLY 20 -5.601 -2.004 -5.766 115 HA3 GLY 20 2HA GLY 20 -4.093 -1.146 -5.487 116 H LEU 21 H LEU 21 -5.377 1.236 -4.429 117 HA LEU 21 HA LEU 21 -5.688 0.324 -1.710 118 HB2 LEU 21 1HB LEU 21 -5.383 2.941 -3.076 119 HB3 LEU 21 2HB LEU 21 -6.150 2.932 -1.489 120 HG LEU 21 HG LEU 21 -3.531 1.549 -1.806 121 HD11 LEU 21 1HD1 LEU 21 -3.964 4.349 -2.385 122 HD12 LEU 21 2HD1 LEU 21 -2.504 3.374 -2.550 123 HD13 LEU 21 3HD1 LEU 21 -2.891 4.125 -1.003 124 HD21 LEU 21 1HD2 LEU 21 -4.276 3.342 0.442 125 HD22 LEU 21 2HD2 LEU 21 -3.367 1.831 0.451 126 HD23 LEU 21 3HD2 LEU 21 -5.124 1.802 0.290 127 H GLU 22 H GLU 22 -7.766 0.328 -4.172 128 HA GLU 22 HA GLU 22 -10.063 1.135 -2.513 129 HB2 GLU 22 1HB GLU 22 -10.010 0.888 -5.522 130 HB3 GLU 22 2HB GLU 22 -11.295 1.568 -4.534 131 HG2 GLU 22 1HG GLU 22 -9.428 3.226 -3.770 132 HG3 GLU 22 2HG GLU 22 -8.657 2.731 -5.275 133 H HIS 23 H HIS 23 -8.690 -1.366 -4.543 134 HA HIS 23 HA HIS 23 -10.130 -3.423 -3.247 135 HB2 HIS 23 1HB HIS 23 -11.592 -4.171 -5.006 136 HB3 HIS 23 2HB HIS 23 -11.951 -2.478 -4.681 137 HD1 HIS 23 1HD HIS 23 -10.784 -4.776 -7.329 138 HD2 HIS 23 2HD HIS 23 -11.103 -0.677 -6.727 139 HE1 HIS 23 1HE HIS 23 -10.501 -3.738 -9.602 140 HE2 HIS 23 2HE HIS 23 -10.612 -1.254 -9.200 141 H GLY 24 H GLY 24 -9.717 -5.579 -4.265 142 HA2 GLY 24 1HA GLY 24 -7.537 -5.648 -6.196 143 HA3 GLY 24 2HA GLY 24 -7.157 -6.236 -4.584 144 H LYS 25 H LYS 25 -6.820 -7.970 -6.583 145 HA LYS 25 HA LYS 25 -8.948 -9.912 -6.089 146 HB2 LYS 25 1HB LYS 25 -9.319 -8.709 -8.306 147 HB3 LYS 25 2HB LYS 25 -7.851 -9.497 -8.867 148 HG2 LYS 25 1HG LYS 25 -8.994 -11.684 -8.173 149 HG3 LYS 25 2HG LYS 25 -10.478 -10.729 -8.126 150 HD2 LYS 25 1HD LYS 25 -8.749 -10.535 -10.541 151 HD3 LYS 25 2HD LYS 25 -9.712 -11.997 -10.317 152 HE2 LYS 25 1HE LYS 25 -10.761 -9.169 -10.350 153 HE3 LYS 25 2HE LYS 25 -10.904 -10.340 -11.660 154 HZ1 LYS 25 1HZ LYS 25 -12.164 -10.468 -8.979 155 HZ2 LYS 25 2HZ LYS 25 -12.135 -11.778 -10.049 156 HZ3 LYS 25 3HZ LYS 25 -12.937 -10.352 -10.480 157 H VAL 26 H VAL 26 -8.271 -12.036 -6.052 158 HA VAL 26 HA VAL 26 -5.637 -12.578 -5.341 159 HB VAL 26 HB VAL 26 -7.697 -14.499 -6.435 160 HG11 VAL 26 1HG1 VAL 26 -5.237 -15.093 -4.795 161 HG12 VAL 26 2HG1 VAL 26 -6.402 -16.261 -5.423 162 HG13 VAL 26 3HG1 VAL 26 -5.373 -15.355 -6.533 163 HG21 VAL 26 1HG2 VAL 26 -8.301 -14.935 -4.172 164 HG22 VAL 26 2HG2 VAL 26 -6.972 -13.948 -3.562 165 HG23 VAL 26 3HG2 VAL 26 -8.329 -13.185 -4.391 166 H GLY 27 H GLY 27 -3.861 -12.508 -6.542 167 HA2 GLY 27 1HA GLY 27 -2.483 -13.383 -8.268 168 HA3 GLY 27 2HA GLY 27 -3.925 -13.685 -9.228 169 H GLU 28 H GLU 28 -4.907 -10.920 -8.533 170 HA GLU 28 HA GLU 28 -3.778 -9.611 -10.812 171 HB2 GLU 28 1HB GLU 28 -5.913 -8.997 -8.828 172 HB3 GLU 28 2HB GLU 28 -5.226 -7.655 -9.731 173 HG2 GLU 28 1HG GLU 28 -6.444 -10.118 -10.957 174 HG3 GLU 28 2HG GLU 28 -7.259 -8.567 -10.764 175 H ALA 29 H ALA 29 -3.242 -7.152 -10.506 176 HA ALA 29 HA ALA 29 -1.316 -6.922 -8.286 177 HB1 ALA 29 1HB ALA 29 -0.698 -7.032 -10.965 178 HB2 ALA 29 2HB ALA 29 -0.685 -5.302 -10.619 179 HB3 ALA 29 3HB ALA 29 0.338 -6.396 -9.687 180 H GLY 30 H GLY 30 -1.789 -5.343 -6.912 181 HA2 GLY 30 1HA GLY 30 -3.800 -3.384 -7.529 182 HA3 GLY 30 2HA GLY 30 -2.908 -3.525 -6.022 183 H LEU 31 H LEU 31 -3.184 -1.893 -9.017 184 HA LEU 31 HA LEU 31 -0.615 -0.758 -9.213 185 HB2 LEU 31 1HB LEU 31 -3.278 0.314 -10.134 186 HB3 LEU 31 2HB LEU 31 -1.708 0.954 -10.618 187 HG LEU 31 HG LEU 31 -2.694 -1.834 -11.223 188 HD11 LEU 31 1HD1 LEU 31 -3.324 -1.138 -13.329 189 HD12 LEU 31 2HD1 LEU 31 -2.349 0.330 -13.253 190 HD13 LEU 31 3HD1 LEU 31 -3.846 0.217 -12.327 191 HD21 LEU 31 1HD2 LEU 31 -0.167 -0.347 -11.747 192 HD22 LEU 31 2HD2 LEU 31 -0.752 -1.485 -12.960 193 HD23 LEU 31 3HD2 LEU 31 -0.414 -2.040 -11.319 194 H LEU 32 H LEU 32 0.351 0.495 -7.769 195 HA LEU 32 HA LEU 32 -1.265 2.505 -6.348 196 HB2 LEU 32 1HB LEU 32 1.082 0.977 -5.234 197 HB3 LEU 32 2HB LEU 32 0.148 2.211 -4.391 198 HG LEU 32 HG LEU 32 -0.882 -0.487 -5.269 199 HD11 LEU 32 1HD1 LEU 32 0.495 -0.946 -3.463 200 HD12 LEU 32 2HD1 LEU 32 -1.077 -0.699 -2.702 201 HD13 LEU 32 3HD1 LEU 32 0.131 0.585 -2.665 202 HD21 LEU 32 1HD2 LEU 32 -2.716 0.347 -3.559 203 HD22 LEU 32 2HD2 LEU 32 -2.798 0.752 -5.274 204 HD23 LEU 32 3HD2 LEU 32 -2.174 1.930 -4.117 205 H SER 33 H SER 33 -0.497 4.543 -6.338 206 HA SER 33 HA SER 33 2.222 4.989 -7.378 207 HB2 SER 33 1HB SER 33 -0.355 6.345 -8.144 208 HB3 SER 33 2HB SER 33 1.200 7.144 -8.373 209 HG SER 33 HG SER 33 1.668 4.909 -9.417 210 H VAL 34 H VAL 34 3.472 6.297 -6.197 211 HA VAL 34 HA VAL 34 2.188 7.864 -4.054 212 HB VAL 34 HB VAL 34 4.928 6.590 -4.037 213 HG11 VAL 34 1HG1 VAL 34 4.345 8.867 -2.783 214 HG12 VAL 34 2HG1 VAL 34 3.709 7.733 -1.590 215 HG13 VAL 34 3HG1 VAL 34 5.401 7.642 -2.081 216 HG21 VAL 34 1HG2 VAL 34 4.093 4.871 -2.829 217 HG22 VAL 34 2HG2 VAL 34 2.892 5.879 -2.021 218 HG23 VAL 34 3HG2 VAL 34 2.597 5.299 -3.660 219 H ASP 35 H ASP 35 2.162 9.928 -4.684 220 HA ASP 35 HA ASP 35 4.346 11.017 -6.269 221 HB2 ASP 35 1HB ASP 35 1.970 11.526 -6.833 222 HB3 ASP 35 2HB ASP 35 1.828 12.385 -5.302 223 H CYS 36 H CYS 36 6.107 11.528 -5.124 224 HA CYS 36 HA CYS 36 5.783 12.804 -2.504 225 HB2 CYS 36 1HB CYS 36 8.094 12.239 -2.091 226 HB3 CYS 36 2HB CYS 36 7.264 10.808 -2.689 227 HG CYS 36 HG CYS 36 9.986 12.178 -3.810 228 H SER 37 H SER 37 5.946 14.932 -2.356 229 HA SER 37 HA SER 37 7.298 16.400 -4.512 230 HB2 SER 37 1HB SER 37 5.156 17.214 -2.547 231 HB3 SER 37 2HB SER 37 6.023 18.383 -3.541 232 HG SER 37 HG SER 37 4.948 16.190 -4.860 233 H GLU 38 H GLU 38 6.698 16.966 -1.041 234 HA GLU 38 HA GLU 38 9.499 17.852 -0.808 235 HB2 GLU 38 1HB GLU 38 6.966 18.906 0.374 236 HB3 GLU 38 2HB GLU 38 8.456 19.065 1.294 237 HG2 GLU 38 1HG GLU 38 8.227 19.998 -1.547 238 HG3 GLU 38 2HG GLU 38 7.782 21.017 -0.179 239 H ALA 39 H ALA 39 7.778 15.249 -0.254 240 HA ALA 39 HA ALA 39 7.788 14.560 2.391 241 HB1 ALA 39 1HB ALA 39 8.515 12.208 1.396 242 HB2 ALA 39 2HB ALA 39 6.909 12.887 1.126 243 HB3 ALA 39 3HB ALA 39 8.147 13.028 -0.122 244 H GLY 40 H GLY 40 10.515 15.218 0.409 245 HA2 GLY 40 1HA GLY 40 12.738 15.426 0.982 246 HA3 GLY 40 2HA GLY 40 12.297 15.031 2.636 247 HA PRO 41 HA PRO 41 14.825 11.518 1.066 248 HB2 PRO 41 1HB PRO 41 16.166 11.158 3.399 249 HB3 PRO 41 2HB PRO 41 16.672 12.324 2.170 250 HG2 PRO 41 1HG PRO 41 15.127 12.782 4.693 251 HG3 PRO 41 2HG PRO 41 16.452 13.738 4.003 252 HD2 PRO 41 1HD PRO 41 13.854 14.457 3.752 253 HD3 PRO 41 2HD PRO 41 15.067 14.811 2.506 254 H GLY 42 H GLY 42 15.409 9.504 2.801 255 HA2 GLY 42 1HA GLY 42 14.429 8.037 4.421 256 HA3 GLY 42 2HA GLY 42 12.870 8.783 4.099 257 H ALA 43 H ALA 43 13.639 5.950 4.094 258 HA ALA 43 HA ALA 43 13.359 5.225 1.274 259 HB1 ALA 43 1HB ALA 43 15.075 4.086 2.636 260 HB2 ALA 43 2HB ALA 43 13.795 3.429 3.657 261 HB3 ALA 43 3HB ALA 43 13.889 2.971 1.956 262 H LEU 44 H LEU 44 11.544 4.377 0.420 263 HA LEU 44 HA LEU 44 9.172 4.310 2.117 264 HB2 LEU 44 1HB LEU 44 8.689 5.519 0.221 265 HB3 LEU 44 2HB LEU 44 9.679 4.491 -0.813 266 HG LEU 44 HG LEU 44 7.907 2.713 -0.540 267 HD11 LEU 44 1HD1 LEU 44 6.711 3.354 1.362 268 HD12 LEU 44 2HD1 LEU 44 5.627 3.723 0.022 269 HD13 LEU 44 3HD1 LEU 44 6.533 5.018 0.803 270 HD21 LEU 44 1HD2 LEU 44 7.463 3.455 -2.586 271 HD22 LEU 44 2HD2 LEU 44 7.919 5.101 -2.149 272 HD23 LEU 44 3HD2 LEU 44 6.269 4.540 -1.874 273 H GLY 45 H GLY 45 7.984 2.511 2.540 274 HA2 GLY 45 1HA GLY 45 8.589 0.020 1.148 275 HA3 GLY 45 2HA GLY 45 8.939 0.057 2.869 276 H LEU 46 H LEU 46 6.914 -1.386 1.086 277 HA LEU 46 HA LEU 46 4.557 -0.740 2.731 278 HB2 LEU 46 1HB LEU 46 4.164 -0.031 0.454 279 HB3 LEU 46 2HB LEU 46 4.641 -1.615 -0.152 280 HG LEU 46 HG LEU 46 2.636 -2.490 1.228 281 HD11 LEU 46 1HD1 LEU 46 2.483 0.103 2.049 282 HD12 LEU 46 2HD1 LEU 46 1.159 -1.059 2.109 283 HD13 LEU 46 3HD1 LEU 46 1.286 0.062 0.754 284 HD21 LEU 46 1HD2 LEU 46 2.983 -1.868 -1.391 285 HD22 LEU 46 2HD2 LEU 46 1.565 -0.897 -0.992 286 HD23 LEU 46 3HD2 LEU 46 1.543 -2.641 -0.727 287 H GLU 47 H GLU 47 3.408 -2.437 3.584 288 HA GLU 47 HA GLU 47 4.410 -5.145 3.022 289 HB2 GLU 47 1HB GLU 47 5.296 -4.164 5.187 290 HB3 GLU 47 2HB GLU 47 3.640 -4.188 5.777 291 HG2 GLU 47 1HG GLU 47 3.546 -6.580 5.570 292 HG3 GLU 47 2HG GLU 47 5.140 -6.613 4.818 293 H ALA 48 H ALA 48 2.793 -6.248 2.147 294 HA ALA 48 HA ALA 48 0.036 -5.637 2.928 295 HB1 ALA 48 1HB ALA 48 -0.377 -7.301 0.942 296 HB2 ALA 48 2HB ALA 48 0.076 -5.624 0.635 297 HB3 ALA 48 3HB ALA 48 1.292 -6.897 0.538 298 H VAL 49 H VAL 49 -0.971 -6.879 4.354 299 HA VAL 49 HA VAL 49 -0.266 -9.727 4.518 300 HB VAL 49 HB VAL 49 -0.590 -7.857 6.867 301 HG11 VAL 49 1HG1 VAL 49 0.236 -10.417 7.707 302 HG12 VAL 49 2HG1 VAL 49 -1.284 -9.595 8.062 303 HG13 VAL 49 3HG1 VAL 49 -1.159 -10.651 6.654 304 HG21 VAL 49 1HG2 VAL 49 1.706 -8.692 7.412 305 HG22 VAL 49 2HG2 VAL 49 1.740 -9.459 5.824 306 HG23 VAL 49 3HG2 VAL 49 1.611 -7.705 5.953 307 H SER 50 H SER 50 -1.960 -11.082 4.688 308 HA SER 50 HA SER 50 -4.618 -9.943 4.510 309 HB2 SER 50 1HB SER 50 -3.593 -11.994 3.197 310 HB3 SER 50 2HB SER 50 -4.135 -12.894 4.613 311 HG SER 50 HG SER 50 -6.201 -11.603 4.147 312 H ASP 51 H ASP 51 -6.390 -10.644 5.842 313 HA ASP 51 HA ASP 51 -6.024 -10.359 8.546 314 HB2 ASP 51 1HB ASP 51 -8.276 -11.539 8.762 315 HB3 ASP 51 2HB ASP 51 -8.225 -10.129 7.708 316 H SER 52 H SER 52 -6.058 -13.350 6.669 317 HA SER 52 HA SER 52 -5.861 -15.073 8.933 318 HB2 SER 52 1HB SER 52 -6.723 -15.713 6.631 319 HB3 SER 52 2HB SER 52 -5.041 -15.740 6.102 320 HG SER 52 HG SER 52 -4.903 -17.648 6.941 321 H GLY 53 H GLY 53 -3.597 -13.259 7.059 322 HA2 GLY 53 1HA GLY 53 -1.432 -12.791 8.038 323 HA3 GLY 53 2HA GLY 53 -1.412 -14.438 8.651 324 H THR 54 H THR 54 -2.161 -13.209 5.405 325 HA THR 54 HA THR 54 -0.077 -14.998 4.353 326 HB THR 54 HB THR 54 -2.466 -13.796 2.940 327 HG1 THR 54 1HG THR 54 -3.054 -15.487 4.330 328 HG21 THR 54 1HG2 THR 54 -1.659 -14.527 0.975 329 HG22 THR 54 2HG2 THR 54 -1.053 -16.026 1.678 330 HG23 THR 54 3HG2 THR 54 -0.095 -14.550 1.789 331 H LYS 55 H LYS 55 1.748 -14.085 3.707 332 HA LYS 55 HA LYS 55 1.989 -11.246 3.391 333 HB2 LYS 55 1HB LYS 55 3.998 -13.420 2.771 334 HB3 LYS 55 2HB LYS 55 4.344 -11.702 2.925 335 HG2 LYS 55 1HG LYS 55 4.213 -11.735 5.198 336 HG3 LYS 55 2HG LYS 55 3.058 -13.069 5.224 337 HD2 LYS 55 1HD LYS 55 5.902 -13.459 4.340 338 HD3 LYS 55 2HD LYS 55 5.442 -13.535 6.042 339 HE2 LYS 55 1HE LYS 55 4.060 -15.402 5.694 340 HE3 LYS 55 2HE LYS 55 4.039 -15.167 3.947 341 HZ1 LYS 55 1HZ LYS 55 6.032 -16.172 3.695 342 HZ2 LYS 55 2HZ LYS 55 5.575 -16.956 5.122 343 HZ3 LYS 55 3HZ LYS 55 6.636 -15.641 5.183 344 H ALA 56 H ALA 56 1.630 -10.118 1.605 345 HA ALA 56 HA ALA 56 1.355 -11.528 -0.942 346 HB1 ALA 56 1HB ALA 56 -0.440 -9.992 -0.122 347 HB2 ALA 56 2HB ALA 56 0.686 -8.653 -0.345 348 HB3 ALA 56 3HB ALA 56 0.173 -9.613 -1.732 349 H GLU 57 H GLU 57 2.597 -11.123 -2.719 350 HA GLU 57 HA GLU 57 5.213 -10.131 -2.323 351 HB2 GLU 57 1HB GLU 57 4.210 -11.808 -4.104 352 HB3 GLU 57 2HB GLU 57 4.055 -10.346 -5.067 353 HG2 GLU 57 1HG GLU 57 6.454 -9.925 -4.795 354 HG3 GLU 57 2HG GLU 57 6.599 -11.415 -3.865 355 H VAL 58 H VAL 58 5.822 -8.086 -2.170 356 HA VAL 58 HA VAL 58 4.338 -6.052 -3.706 357 HB VAL 58 HB VAL 58 5.665 -5.728 -1.011 358 HG11 VAL 58 1HG1 VAL 58 5.942 -3.614 -1.731 359 HG12 VAL 58 2HG1 VAL 58 4.764 -3.792 -3.033 360 HG13 VAL 58 3HG1 VAL 58 4.218 -3.472 -1.386 361 HG21 VAL 58 1HG2 VAL 58 3.643 -6.795 -0.588 362 HG22 VAL 58 2HG2 VAL 58 3.234 -5.087 -0.421 363 HG23 VAL 58 3HG2 VAL 58 2.812 -5.954 -1.897 364 H SER 59 H SER 59 5.498 -4.494 -4.785 365 HA SER 59 HA SER 59 8.425 -4.608 -4.622 366 HB2 SER 59 1HB SER 59 7.609 -6.026 -6.535 367 HB3 SER 59 2HB SER 59 6.930 -4.564 -7.251 368 HG SER 59 HG SER 59 8.909 -4.697 -8.133 369 H ILE 60 H ILE 60 9.491 -2.694 -5.153 370 HA ILE 60 HA ILE 60 7.758 -0.350 -5.582 371 HB ILE 60 HB ILE 60 10.196 -0.471 -3.803 372 HG12 ILE 60 1HG1 ILE 60 7.370 0.116 -2.947 373 HG13 ILE 60 2HG1 ILE 60 7.981 -1.533 -3.013 374 HG21 ILE 60 1HG2 ILE 60 9.737 1.674 -5.099 375 HG22 ILE 60 2HG2 ILE 60 8.294 1.833 -4.099 376 HG23 ILE 60 3HG2 ILE 60 9.889 1.812 -3.348 377 HD11 ILE 60 1HD1 ILE 60 8.413 0.533 -1.033 378 HD12 ILE 60 2HD1 ILE 60 8.660 -1.211 -0.927 379 HD13 ILE 60 3HD1 ILE 60 9.922 -0.181 -1.602 380 H GLN 61 H GLN 61 8.314 0.923 -7.230 381 HA GLN 61 HA GLN 61 11.063 0.775 -8.264 382 HB2 GLN 61 1HB GLN 61 9.137 -0.490 -9.568 383 HB3 GLN 61 2HB GLN 61 8.798 1.124 -10.177 384 HG2 GLN 61 1HG GLN 61 10.256 -0.161 -11.668 385 HG3 GLN 61 2HG GLN 61 11.028 1.306 -11.068 386 HE21 GLN 61 1HE2 GLN 61 10.675 -2.112 -10.178 387 HE22 GLN 61 2HE2 GLN 61 12.318 -2.333 -9.695 388 H ASN 62 H ASN 62 11.875 2.660 -9.203 389 HA ASN 62 HA ASN 62 10.477 5.088 -8.379 390 HB2 ASN 62 1HB ASN 62 13.319 4.577 -9.269 391 HB3 ASN 62 2HB ASN 62 12.683 6.186 -8.935 392 HD21 ASN 62 1HD2 ASN 62 12.646 2.984 -7.395 393 HD22 ASN 62 2HD2 ASN 62 13.055 3.554 -5.816 394 H ASN 63 H ASN 63 10.440 6.957 -9.823 395 HA ASN 63 HA ASN 63 10.463 6.260 -12.676 396 HB2 ASN 63 1HB ASN 63 8.242 7.759 -11.268 397 HB3 ASN 63 2HB ASN 63 8.349 7.481 -13.004 398 HD21 ASN 63 1HD2 ASN 63 7.272 6.287 -10.044 399 HD22 ASN 63 2HD2 ASN 63 6.771 4.721 -10.575 400 H LYS 64 H LYS 64 10.711 8.055 -14.108 401 HA LYS 64 HA LYS 64 12.585 9.959 -13.258 402 HB2 LYS 64 1HB LYS 64 12.272 9.166 -15.608 403 HB3 LYS 64 2HB LYS 64 10.803 10.129 -15.695 404 HG2 LYS 64 1HG LYS 64 12.438 12.062 -14.958 405 HG3 LYS 64 2HG LYS 64 13.644 10.992 -15.676 406 HD2 LYS 64 1HD LYS 64 12.601 11.067 -17.788 407 HD3 LYS 64 2HD LYS 64 11.120 11.759 -17.120 408 HE2 LYS 64 1HE LYS 64 12.123 13.857 -16.791 409 HE3 LYS 64 2HE LYS 64 13.750 13.203 -16.976 410 HZ1 LYS 64 1HZ LYS 64 11.822 13.987 -19.009 411 HZ2 LYS 64 2HZ LYS 64 12.730 12.599 -19.344 412 HZ3 LYS 64 3HZ LYS 64 13.512 14.066 -19.030 413 H ASP 65 H ASP 65 9.174 9.928 -13.036 414 HA ASP 65 HA ASP 65 8.924 12.813 -12.815 415 HB2 ASP 65 1HB ASP 65 6.842 10.673 -12.327 416 HB3 ASP 65 2HB ASP 65 6.548 12.400 -12.515 417 H GLY 66 H GLY 66 10.392 10.876 -10.874 418 HA2 GLY 66 1HA GLY 66 10.879 10.922 -8.629 419 HA3 GLY 66 2HA GLY 66 9.923 12.394 -8.532 420 H THR 67 H THR 67 8.335 9.639 -9.809 421 HA THR 67 HA THR 67 6.811 9.391 -7.307 422 HB THR 67 HB THR 67 5.119 8.211 -8.836 423 HG1 THR 67 1HG THR 67 5.585 8.124 -10.896 424 HG21 THR 67 1HG2 THR 67 5.358 11.016 -9.754 425 HG22 THR 67 2HG2 THR 67 5.294 10.757 -8.010 426 HG23 THR 67 3HG2 THR 67 3.987 10.171 -9.038 427 H TYR 68 H TYR 68 5.965 7.216 -6.793 428 HA TYR 68 HA TYR 68 7.921 5.131 -7.510 429 HB2 TYR 68 1HB TYR 68 6.429 5.573 -4.919 430 HB3 TYR 68 2HB TYR 68 7.362 4.124 -5.275 431 HD1 TYR 68 2HD TYR 68 7.572 7.750 -4.649 432 HD2 TYR 68 1HD TYR 68 9.751 4.132 -5.157 433 HE1 TYR 68 2HE TYR 68 9.602 8.863 -3.819 434 HE2 TYR 68 1HE TYR 68 11.787 5.234 -4.327 435 HH TYR 68 HH TYR 68 12.728 7.318 -3.945 436 H ALA 69 H ALA 69 7.187 3.261 -8.324 437 HA ALA 69 HA ALA 69 4.284 2.971 -8.639 438 HB1 ALA 69 1HB ALA 69 4.870 1.347 -10.424 439 HB2 ALA 69 2HB ALA 69 5.487 2.973 -10.717 440 HB3 ALA 69 3HB ALA 69 6.573 1.709 -10.141 441 H VAL 70 H VAL 70 3.664 2.019 -6.727 442 HA VAL 70 HA VAL 70 4.996 -0.461 -5.914 443 HB VAL 70 HB VAL 70 3.012 1.323 -4.514 444 HG11 VAL 70 1HG1 VAL 70 2.424 -1.020 -4.082 445 HG12 VAL 70 2HG1 VAL 70 4.078 -1.330 -3.551 446 HG13 VAL 70 3HG1 VAL 70 3.051 -0.224 -2.639 447 HG21 VAL 70 1HG2 VAL 70 5.828 1.216 -4.601 448 HG22 VAL 70 2HG2 VAL 70 4.811 2.223 -3.571 449 HG23 VAL 70 3HG2 VAL 70 5.342 0.639 -3.007 450 H THR 71 H THR 71 3.996 -2.424 -5.892 451 HA THR 71 HA THR 71 1.174 -2.594 -6.634 452 HB THR 71 HB THR 71 3.039 -4.433 -8.068 453 HG1 THR 71 1HG THR 71 3.786 -2.223 -8.417 454 HG21 THR 71 1HG2 THR 71 0.649 -4.821 -8.224 455 HG22 THR 71 2HG2 THR 71 1.266 -4.282 -9.786 456 HG23 THR 71 3HG2 THR 71 0.387 -3.158 -8.750 457 H TYR 72 H TYR 72 0.135 -4.422 -5.895 458 HA TYR 72 HA TYR 72 1.760 -6.371 -4.409 459 HB2 TYR 72 1HB TYR 72 0.314 -6.308 -2.530 460 HB3 TYR 72 2HB TYR 72 0.664 -4.627 -2.918 461 HD1 TYR 72 2HD TYR 72 -1.901 -7.277 -3.127 462 HD2 TYR 72 1HD TYR 72 -1.069 -3.127 -3.560 463 HE1 TYR 72 2HE TYR 72 -4.313 -6.813 -3.255 464 HE2 TYR 72 1HE TYR 72 -3.478 -2.651 -3.688 465 HH TYR 72 HH TYR 72 -5.613 -3.744 -2.927 466 H VAL 73 H VAL 73 1.118 -8.468 -4.551 467 HA VAL 73 HA VAL 73 -1.308 -9.012 -6.138 468 HB VAL 73 HB VAL 73 1.302 -10.535 -6.166 469 HG11 VAL 73 1HG1 VAL 73 -0.074 -11.591 -8.197 470 HG12 VAL 73 2HG1 VAL 73 -0.122 -12.257 -6.563 471 HG13 VAL 73 3HG1 VAL 73 -1.418 -11.200 -7.124 472 HG21 VAL 73 1HG2 VAL 73 -0.028 -9.122 -8.461 473 HG22 VAL 73 2HG2 VAL 73 1.145 -8.325 -7.413 474 HG23 VAL 73 3HG2 VAL 73 1.622 -9.735 -8.359 475 HA PRO 74 HA PRO 74 -2.226 -11.090 -2.227 476 HB2 PRO 74 1HB PRO 74 -4.885 -11.314 -2.728 477 HB3 PRO 74 2HB PRO 74 -4.144 -9.829 -2.120 478 HG2 PRO 74 1HG PRO 74 -4.928 -10.548 -4.918 479 HG3 PRO 74 2HG PRO 74 -5.154 -9.018 -4.051 480 HD2 PRO 74 1HD PRO 74 -3.158 -9.396 -5.840 481 HD3 PRO 74 2HD PRO 74 -2.983 -8.339 -4.425 482 H LEU 75 H LEU 75 -1.773 -13.188 -2.058 483 HA LEU 75 HA LEU 75 -2.203 -15.015 -4.233 484 HB2 LEU 75 1HB LEU 75 -1.270 -15.523 -1.412 485 HB3 LEU 75 2HB LEU 75 -1.212 -16.683 -2.737 486 HG LEU 75 HG LEU 75 0.277 -14.068 -2.802 487 HD11 LEU 75 1HD1 LEU 75 1.082 -15.246 -0.870 488 HD12 LEU 75 2HD1 LEU 75 2.271 -15.393 -2.164 489 HD13 LEU 75 3HD1 LEU 75 1.207 -16.748 -1.786 490 HD21 LEU 75 1HD2 LEU 75 1.688 -15.738 -4.317 491 HD22 LEU 75 2HD2 LEU 75 0.333 -14.803 -4.951 492 HD23 LEU 75 3HD2 LEU 75 0.104 -16.493 -4.497 493 H THR 76 H THR 76 -3.805 -14.213 -1.245 494 HA THR 76 HA THR 76 -5.899 -16.174 -1.901 495 HB THR 76 HB THR 76 -4.574 -16.984 0.031 496 HG1 THR 76 1HG THR 76 -7.290 -16.316 0.201 497 HG21 THR 76 1HG2 THR 76 -4.792 -15.785 2.188 498 HG22 THR 76 2HG2 THR 76 -5.553 -14.442 1.335 499 HG23 THR 76 3HG2 THR 76 -3.878 -14.871 0.988 500 H ALA 77 H ALA 77 -7.955 -15.440 -1.811 501 HA ALA 77 HA ALA 77 -8.431 -12.651 -1.722 502 HB1 ALA 77 1HB ALA 77 -9.830 -13.974 -3.107 503 HB2 ALA 77 2HB ALA 77 -10.297 -15.012 -1.759 504 HB3 ALA 77 3HB ALA 77 -10.849 -13.338 -1.816 505 H GLY 78 H GLY 78 -9.781 -11.471 -0.254 506 HA2 GLY 78 1HA GLY 78 -11.077 -11.844 1.937 507 HA3 GLY 78 2HA GLY 78 -9.539 -12.478 2.504 508 H MET 79 H MET 79 -10.308 -10.595 4.049 509 HA MET 79 HA MET 79 -9.794 -7.932 3.191 510 HB2 MET 79 1HB MET 79 -9.996 -9.178 5.932 511 HB3 MET 79 2HB MET 79 -9.751 -7.456 5.676 512 HG2 MET 79 1HG MET 79 -12.111 -9.081 4.757 513 HG3 MET 79 2HG MET 79 -12.081 -7.932 6.093 514 HE1 MET 79 1HE MET 79 -12.384 -4.849 5.270 515 HE2 MET 79 2HE MET 79 -10.929 -5.730 5.736 516 HE3 MET 79 3HE MET 79 -10.944 -4.771 4.256 517 H TYR 80 H TYR 80 -7.923 -6.897 2.962 518 HA TYR 80 HA TYR 80 -5.498 -8.157 4.061 519 HB2 TYR 80 1HB TYR 80 -6.071 -6.745 1.504 520 HB3 TYR 80 2HB TYR 80 -4.473 -6.528 2.208 521 HD1 TYR 80 2HD TYR 80 -6.793 -8.933 0.697 522 HD2 TYR 80 1HD TYR 80 -2.900 -8.364 2.317 523 HE1 TYR 80 2HE TYR 80 -6.084 -11.082 -0.265 524 HE2 TYR 80 1HE TYR 80 -2.180 -10.512 1.358 525 HH TYR 80 HH TYR 80 -4.275 -12.365 -0.774 526 H THR 81 H THR 81 -3.734 -6.660 4.639 527 HA THR 81 HA THR 81 -4.752 -4.084 5.646 528 HB THR 81 HB THR 81 -2.802 -5.902 7.075 529 HG1 THR 81 1HG THR 81 -4.760 -6.782 7.451 530 HG21 THR 81 1HG2 THR 81 -2.647 -3.322 7.309 531 HG22 THR 81 2HG2 THR 81 -2.665 -4.313 8.768 532 HG23 THR 81 3HG2 THR 81 -4.132 -3.485 8.246 533 H LEU 82 H LEU 82 -3.850 -2.770 4.120 534 HA LEU 82 HA LEU 82 -1.132 -3.090 3.245 535 HB2 LEU 82 1HB LEU 82 -2.789 -0.627 2.839 536 HB3 LEU 82 2HB LEU 82 -1.521 -1.287 1.808 537 HG LEU 82 HG LEU 82 -4.177 -2.648 2.205 538 HD11 LEU 82 1HD1 LEU 82 -3.358 -0.564 0.201 539 HD12 LEU 82 2HD1 LEU 82 -4.762 -0.567 1.267 540 HD13 LEU 82 3HD1 LEU 82 -4.680 -1.696 -0.085 541 HD21 LEU 82 1HD2 LEU 82 -3.360 -3.435 -0.182 542 HD22 LEU 82 2HD2 LEU 82 -2.828 -4.244 1.292 543 HD23 LEU 82 3HD2 LEU 82 -1.778 -3.065 0.503 544 H THR 83 H THR 83 0.623 -2.340 4.218 545 HA THR 83 HA THR 83 0.344 -0.071 6.079 546 HB THR 83 HB THR 83 2.280 -2.362 6.442 547 HG1 THR 83 1HG THR 83 0.047 -1.953 8.107 548 HG21 THR 83 1HG2 THR 83 2.442 0.138 7.458 549 HG22 THR 83 2HG2 THR 83 3.041 -1.298 8.288 550 HG23 THR 83 3HG2 THR 83 1.454 -0.643 8.692 551 H MET 84 H MET 84 1.300 1.620 5.149 552 HA MET 84 HA MET 84 3.845 1.185 3.732 553 HB2 MET 84 1HB MET 84 1.877 2.088 2.410 554 HB3 MET 84 2HB MET 84 2.000 3.547 3.385 555 HG2 MET 84 1HG MET 84 4.204 3.988 2.554 556 HG3 MET 84 2HG MET 84 4.235 2.445 1.703 557 HE1 MET 84 1HE MET 84 2.388 2.915 -1.459 558 HE2 MET 84 2HE MET 84 3.267 1.882 -0.332 559 HE3 MET 84 3HE MET 84 1.549 2.195 -0.085 560 H LYS 85 H LYS 85 5.624 2.074 4.555 561 HA LYS 85 HA LYS 85 5.331 4.270 6.494 562 HB2 LYS 85 1HB LYS 85 6.769 1.682 6.748 563 HB3 LYS 85 2HB LYS 85 7.560 3.104 7.416 564 HG2 LYS 85 1HG LYS 85 5.170 3.471 8.494 565 HG3 LYS 85 2HG LYS 85 5.088 1.720 8.284 566 HD2 LYS 85 1HD LYS 85 7.555 2.867 9.483 567 HD3 LYS 85 2HD LYS 85 6.095 2.828 10.475 568 HE2 LYS 85 1HE LYS 85 7.403 0.824 10.844 569 HE3 LYS 85 2HE LYS 85 5.889 0.415 10.039 570 HZ1 LYS 85 1HZ LYS 85 7.034 0.216 7.964 571 HZ2 LYS 85 2HZ LYS 85 7.844 -0.733 9.106 572 HZ3 LYS 85 3HZ LYS 85 8.485 0.762 8.641 573 H TYR 86 H TYR 86 6.404 6.035 5.922 574 HA TYR 86 HA TYR 86 8.596 5.775 3.978 575 HB2 TYR 86 1HB TYR 86 6.487 7.169 3.463 576 HB3 TYR 86 2HB TYR 86 7.144 8.337 4.604 577 HD1 TYR 86 2HD TYR 86 7.570 6.775 1.317 578 HD2 TYR 86 1HD TYR 86 9.123 9.630 4.063 579 HE1 TYR 86 2HE TYR 86 8.960 7.731 -0.472 580 HE2 TYR 86 1HE TYR 86 10.517 10.595 2.281 581 HH TYR 86 HH TYR 86 10.806 10.672 0.008 582 H GLY 87 H GLY 87 10.517 5.779 4.951 583 HA2 GLY 87 1HA GLY 87 12.308 6.559 6.168 584 HA3 GLY 87 2HA GLY 87 11.394 8.033 6.450 585 H GLY 88 H GLY 88 10.254 4.836 7.342 586 HA2 GLY 88 1HA GLY 88 10.151 3.801 9.423 587 HA3 GLY 88 2HA GLY 88 11.079 5.132 10.100 588 H GLU 89 H GLU 89 8.687 6.568 8.405 589 HA GLU 89 HA GLU 89 6.913 6.655 10.756 590 HB2 GLU 89 1HB GLU 89 7.300 8.837 8.704 591 HB3 GLU 89 2HB GLU 89 6.386 8.942 10.202 592 HG2 GLU 89 1HG GLU 89 8.737 8.299 11.241 593 HG3 GLU 89 2HG GLU 89 9.311 9.041 9.749 594 H LEU 90 H LEU 90 4.773 6.310 10.486 595 HA LEU 90 HA LEU 90 3.874 5.075 8.092 596 HB2 LEU 90 1HB LEU 90 2.691 5.794 10.713 597 HB3 LEU 90 2HB LEU 90 1.578 5.519 9.374 598 HG LEU 90 HG LEU 90 3.624 3.522 10.336 599 HD11 LEU 90 1HD1 LEU 90 0.653 3.607 10.838 600 HD12 LEU 90 2HD1 LEU 90 1.903 3.956 12.031 601 HD13 LEU 90 3HD1 LEU 90 1.767 2.337 11.346 602 HD21 LEU 90 1HD2 LEU 90 3.004 2.196 8.643 603 HD22 LEU 90 2HD2 LEU 90 2.388 3.673 7.901 604 HD23 LEU 90 3HD2 LEU 90 1.300 2.622 8.810 605 H VAL 91 H VAL 91 2.318 5.776 6.604 606 HA VAL 91 HA VAL 91 2.272 8.670 6.227 607 HB VAL 91 HB VAL 91 1.026 7.816 4.037 608 HG11 VAL 91 1HG1 VAL 91 3.073 9.081 4.009 609 HG12 VAL 91 2HG1 VAL 91 3.997 7.672 4.535 610 HG13 VAL 91 3HG1 VAL 91 3.246 7.690 2.939 611 HG21 VAL 91 1HG2 VAL 91 1.141 5.443 5.027 612 HG22 VAL 91 2HG2 VAL 91 1.576 5.663 3.332 613 HG23 VAL 91 3HG2 VAL 91 2.838 5.484 4.550 614 HA PRO 92 HA PRO 92 -1.932 9.292 7.322 615 HB2 PRO 92 1HB PRO 92 -2.771 11.051 5.432 616 HB3 PRO 92 2HB PRO 92 -1.659 11.496 6.732 617 HG2 PRO 92 1HG PRO 92 -1.060 10.795 3.884 618 HG3 PRO 92 2HG PRO 92 -0.381 12.093 4.883 619 HD2 PRO 92 1HD PRO 92 0.930 9.769 4.427 620 HD3 PRO 92 2HD PRO 92 1.095 10.676 5.944 621 H HIS 93 H HIS 93 -1.110 7.486 4.713 622 HA HIS 93 HA HIS 93 -3.922 6.986 3.983 623 HB2 HIS 93 1HB HIS 93 -1.517 6.432 2.241 624 HB3 HIS 93 2HB HIS 93 -3.214 6.346 1.778 625 HD1 HIS 93 1HD HIS 93 -4.186 8.399 0.764 626 HD2 HIS 93 2HD HIS 93 -0.651 9.180 2.802 627 HE1 HIS 93 1HE HIS 93 -3.652 10.809 0.285 628 HE2 HIS 93 2HE HIS 93 -1.465 11.235 1.459 629 H PHE 94 H PHE 94 -1.814 5.826 5.984 630 HA PHE 94 HA PHE 94 -2.709 3.087 5.662 631 HB2 PHE 94 1HB PHE 94 0.234 3.783 5.725 632 HB3 PHE 94 2HB PHE 94 -0.423 2.155 5.855 633 HD1 PHE 94 2HD PHE 94 -0.363 5.111 3.600 634 HD2 PHE 94 1HD PHE 94 -0.760 0.887 3.949 635 HE1 PHE 94 2HE PHE 94 -0.333 4.909 1.149 636 HE2 PHE 94 1HE PHE 94 -0.730 0.679 1.497 637 HZ PHE 94 HZ PHE 94 -0.518 2.692 0.094 638 HA PRO 95 HA PRO 95 -1.901 1.099 6.647 639 HB2 PRO 95 1HB PRO 95 -3.548 -0.359 8.237 640 HB3 PRO 95 2HB PRO 95 -1.807 -0.235 8.515 641 HG2 PRO 95 1HG PRO 95 -4.047 1.242 9.843 642 HG3 PRO 95 2HG PRO 95 -2.599 0.518 10.568 643 HD2 PRO 95 1HD PRO 95 -2.805 3.171 10.065 644 HD3 PRO 95 2HD PRO 95 -1.261 2.300 9.981 645 H ALA 96 H ALA 96 -3.515 0.200 5.323 646 HA ALA 96 HA ALA 96 -6.226 1.263 5.548 647 HB1 ALA 96 1HB ALA 96 -5.086 1.372 2.822 648 HB2 ALA 96 2HB ALA 96 -6.266 2.424 3.605 649 HB3 ALA 96 3HB ALA 96 -4.548 2.608 3.959 650 H ARG 97 H ARG 97 -7.424 -0.522 5.602 651 HA ARG 97 HA ARG 97 -6.601 -2.982 4.400 652 HB2 ARG 97 1HB ARG 97 -8.348 -3.947 5.526 653 HB3 ARG 97 2HB ARG 97 -8.149 -2.490 6.489 654 HG2 ARG 97 1HG ARG 97 -10.164 -2.888 4.287 655 HG3 ARG 97 2HG ARG 97 -10.493 -2.930 6.020 656 HD2 ARG 97 1HD ARG 97 -9.331 -0.542 5.897 657 HD3 ARG 97 2HD ARG 97 -9.927 -0.623 4.240 658 HE ARG 97 HE ARG 97 -11.986 -0.147 5.072 659 HH11 ARG 97 1HH1 ARG 97 -10.159 -1.762 7.557 660 HH12 ARG 97 2HH1 ARG 97 -11.425 -1.661 8.735 661 HH21 ARG 97 1HH2 ARG 97 -13.660 -0.008 6.615 662 HH22 ARG 97 2HH2 ARG 97 -13.416 -0.664 8.199 663 H VAL 98 H VAL 98 -7.963 -4.204 2.871 664 HA VAL 98 HA VAL 98 -9.716 -2.691 1.138 665 HB VAL 98 HB VAL 98 -7.083 -3.754 0.109 666 HG11 VAL 98 1HG1 VAL 98 -9.400 -2.612 -1.449 667 HG12 VAL 98 2HG1 VAL 98 -7.840 -3.106 -2.109 668 HG13 VAL 98 3HG1 VAL 98 -8.926 -4.310 -1.414 669 HG21 VAL 98 1HG2 VAL 98 -6.752 -1.601 1.021 670 HG22 VAL 98 2HG2 VAL 98 -6.898 -1.365 -0.720 671 HG23 VAL 98 3HG2 VAL 98 -8.260 -0.995 0.338 672 H LYS 99 H LYS 99 -11.289 -3.981 0.442 673 HA LYS 99 HA LYS 99 -11.228 -6.785 1.010 674 HB2 LYS 99 1HB LYS 99 -13.255 -5.205 1.072 675 HB3 LYS 99 2HB LYS 99 -13.299 -5.395 -0.676 676 HG2 LYS 99 1HG LYS 99 -13.792 -7.684 -0.526 677 HG3 LYS 99 2HG LYS 99 -13.341 -7.752 1.179 678 HD2 LYS 99 1HD LYS 99 -15.612 -7.687 1.396 679 HD3 LYS 99 2HD LYS 99 -15.277 -5.954 1.382 680 HE2 LYS 99 1HE LYS 99 -17.108 -6.381 -0.102 681 HE3 LYS 99 2HE LYS 99 -15.697 -5.958 -1.071 682 HZ1 LYS 99 1HZ LYS 99 -15.460 -8.606 -0.975 683 HZ2 LYS 99 2HZ LYS 99 -16.294 -7.791 -2.200 684 HZ3 LYS 99 3HZ LYS 99 -17.145 -8.467 -0.905 685 H VAL 100 H VAL 100 -10.407 -8.319 -0.238 686 HA VAL 100 HA VAL 100 -10.050 -7.768 -3.106 687 HB VAL 100 HB VAL 100 -8.624 -9.753 -1.331 688 HG11 VAL 100 1HG1 VAL 100 -9.053 -9.885 -4.090 689 HG12 VAL 100 2HG1 VAL 100 -7.399 -9.302 -3.894 690 HG13 VAL 100 3HG1 VAL 100 -7.896 -10.817 -3.140 691 HG21 VAL 100 1HG2 VAL 100 -8.171 -7.134 -1.361 692 HG22 VAL 100 2HG2 VAL 100 -6.865 -8.310 -1.216 693 HG23 VAL 100 3HG2 VAL 100 -7.221 -7.577 -2.780 694 H GLU 101 H GLU 101 -10.951 -9.054 -4.623 695 HA GLU 101 HA GLU 101 -12.743 -11.170 -3.667 696 HB2 GLU 101 1HB GLU 101 -12.715 -9.402 -6.083 697 HB3 GLU 101 2HB GLU 101 -13.557 -10.944 -6.153 698 HG2 GLU 101 1HG GLU 101 -14.652 -10.086 -3.930 699 HG3 GLU 101 2HG GLU 101 -14.184 -8.510 -4.565 700 HA PRO 102 HA PRO 102 -10.426 -14.433 -5.463 701 HB2 PRO 102 1HB PRO 102 -12.383 -16.067 -6.397 702 HB3 PRO 102 2HB PRO 102 -12.037 -15.870 -4.675 703 HG2 PRO 102 1HG PRO 102 -14.175 -14.592 -6.335 704 HG3 PRO 102 2HG PRO 102 -14.287 -15.283 -4.706 705 HD2 PRO 102 1HD PRO 102 -14.088 -12.619 -5.148 706 HD3 PRO 102 2HD PRO 102 -13.400 -13.402 -3.711 707 H ALA 103 H ALA 103 -9.956 -15.598 -7.471 708 HA ALA 103 HA ALA 103 -10.234 -13.848 -9.763 709 HB1 ALA 103 1HB ALA 103 -8.896 -16.408 -10.200 710 HB2 ALA 103 2HB ALA 103 -8.328 -14.764 -10.493 711 HB3 ALA 103 3HB ALA 103 -8.213 -15.462 -8.877 712 H VAL 104 H VAL 104 -12.704 -14.765 -9.153 713 HA VAL 104 HA VAL 104 -13.340 -17.139 -10.662 714 HB VAL 104 HB VAL 104 -15.696 -16.573 -10.141 715 HG11 VAL 104 1HG1 VAL 104 -14.183 -17.864 -8.594 716 HG12 VAL 104 2HG1 VAL 104 -13.981 -16.371 -7.675 717 HG13 VAL 104 3HG1 VAL 104 -15.579 -17.102 -7.832 718 HG21 VAL 104 1HG2 VAL 104 -15.515 -14.618 -8.200 719 HG22 VAL 104 2HG2 VAL 104 -14.482 -14.011 -9.494 720 HG23 VAL 104 3HG2 VAL 104 -16.167 -14.413 -9.825 721 H ASP 105 H ASP 105 -13.163 -17.009 -12.814 722 HA ASP 105 HA ASP 105 -13.683 -16.437 -14.960 723 HB2 ASP 105 1HB ASP 105 -15.968 -15.922 -13.788 724 HB3 ASP 105 2HB ASP 105 -15.498 -14.242 -14.027 725 H THR 106 H THR 106 -11.392 -15.441 -13.949 726 HA THR 106 HA THR 106 -11.308 -12.605 -14.700 727 HB THR 106 HB THR 106 -10.333 -13.253 -12.500 728 HG1 THR 106 1HG THR 106 -9.488 -11.523 -14.085 729 HG21 THR 106 1HG2 THR 106 -9.008 -15.219 -14.144 730 HG22 THR 106 2HG2 THR 106 -9.101 -15.109 -12.386 731 HG23 THR 106 3HG2 THR 106 -7.831 -14.250 -13.258 732 H SER 107 H SER 107 -11.055 -15.431 -16.227 733 HA SER 107 HA SER 107 -9.051 -14.394 -18.112 734 HB2 SER 107 1HB SER 107 -8.255 -16.710 -18.496 735 HB3 SER 107 2HB SER 107 -7.976 -16.178 -16.838 736 HG SER 107 HG SER 107 -9.046 -18.364 -17.387 737 H SER 108 H SER 108 -9.294 -15.184 -20.303 738 HA SER 108 HA SER 108 -12.102 -15.814 -20.916 739 HB2 SER 108 1HB SER 108 -11.244 -13.654 -21.795 740 HB3 SER 108 2HB SER 108 -10.024 -14.538 -22.712 741 HG SER 108 HG SER 108 -11.555 -15.327 -24.025 742 H GLY 109 H GLY 109 -11.991 -18.052 -20.805 743 HA2 GLY 109 1HA GLY 109 -11.960 -19.905 -22.380 744 HA3 GLY 109 2HA GLY 109 -10.420 -19.299 -22.970 745 HA PRO 110 HA PRO 110 -9.733 -21.440 -18.652 746 HB2 PRO 110 1HB PRO 110 -11.631 -23.269 -18.004 747 HB3 PRO 110 2HB PRO 110 -11.713 -21.578 -17.496 748 HG2 PRO 110 1HG PRO 110 -13.099 -22.941 -19.773 749 HG3 PRO 110 2HG PRO 110 -13.744 -21.765 -18.613 750 HD2 PRO 110 1HD PRO 110 -12.985 -21.075 -21.119 751 HD3 PRO 110 2HD PRO 110 -12.836 -19.970 -19.738 752 H SER 111 H SER 111 -8.170 -22.877 -18.996 753 HA SER 111 HA SER 111 -8.775 -25.266 -20.608 754 HB2 SER 111 1HB SER 111 -7.441 -23.923 -22.044 755 HB3 SER 111 2HB SER 111 -6.349 -23.474 -20.734 756 HG SER 111 HG SER 111 -5.210 -25.072 -21.508 757 H SER 112 H SER 112 -8.812 -26.881 -19.179 758 HA SER 112 HA SER 112 -7.801 -27.090 -16.690 759 HB2 SER 112 1HB SER 112 -9.171 -28.844 -17.709 760 HB3 SER 112 2HB SER 112 -7.827 -29.309 -18.751 761 HG SER 112 HG SER 112 -6.748 -29.478 -16.486 762 H GLY 113 H GLY 113 -6.017 -27.995 -19.639 763 HA2 GLY 113 1HA GLY 113 -3.768 -28.228 -20.034 764 HA3 GLY 113 2HA GLY 113 -3.554 -26.992 -18.804 Start of MODEL 19 1 H1 GLY 1 H GLY 1 23.099 21.803 -14.993 2 HA2 GLY 1 1HA GLY 1 23.625 21.830 -12.520 3 HA3 GLY 1 2HA GLY 1 22.302 22.891 -12.981 4 H SER 2 H SER 2 22.148 22.314 -10.486 5 HA SER 2 HA SER 2 19.884 20.516 -10.287 6 HB2 SER 2 1HB SER 2 22.441 20.049 -8.740 7 HB3 SER 2 2HB SER 2 20.893 19.321 -8.312 8 HG SER 2 HG SER 2 22.403 18.086 -9.729 9 H SER 3 H SER 3 18.674 20.790 -8.336 10 HA SER 3 HA SER 3 18.798 23.488 -7.343 11 HB2 SER 3 1HB SER 3 16.628 22.473 -7.810 12 HB3 SER 3 2HB SER 3 16.949 21.196 -6.637 13 HG SER 3 HG SER 3 16.478 22.521 -5.057 14 H GLY 4 H GLY 4 18.774 20.299 -5.730 15 HA2 GLY 4 1HA GLY 4 20.438 19.713 -4.093 16 HA3 GLY 4 2HA GLY 4 20.600 21.420 -3.710 17 H SER 5 H SER 5 20.180 21.315 -1.547 18 HA SER 5 HA SER 5 18.393 19.783 -0.174 19 HB2 SER 5 1HB SER 5 19.971 21.307 0.924 20 HB3 SER 5 2HB SER 5 19.034 22.693 0.367 21 HG SER 5 HG SER 5 17.243 21.458 1.552 22 H SER 6 H SER 6 16.288 19.463 -0.361 23 HA SER 6 HA SER 6 14.631 21.494 -1.653 24 HB2 SER 6 1HB SER 6 14.346 18.554 -1.152 25 HB3 SER 6 2HB SER 6 12.901 19.525 -1.434 26 HG SER 6 HG SER 6 14.248 18.503 -3.285 27 H GLY 7 H GLY 7 14.595 19.453 1.267 28 HA2 GLY 7 1HA GLY 7 13.818 21.435 3.042 29 HA3 GLY 7 2HA GLY 7 12.332 20.734 2.419 30 HA PRO 8 HA PRO 8 13.892 18.278 6.093 31 HB2 PRO 8 1HB PRO 8 11.647 18.561 7.594 32 HB3 PRO 8 2HB PRO 8 12.987 19.712 7.644 33 HG2 PRO 8 1HG PRO 8 10.393 19.889 6.161 34 HG3 PRO 8 2HG PRO 8 11.244 21.144 7.080 35 HD2 PRO 8 1HD PRO 8 11.347 20.995 4.378 36 HD3 PRO 8 2HD PRO 8 12.703 21.596 5.354 37 H PHE 9 H PHE 9 12.828 16.331 7.040 38 HA PHE 9 HA PHE 9 11.470 14.867 4.947 39 HB2 PHE 9 1HB PHE 9 13.080 13.525 5.934 40 HB3 PHE 9 2HB PHE 9 12.767 14.156 7.547 41 HD1 PHE 9 1HD PHE 9 11.598 11.833 4.951 42 HD2 PHE 9 2HD PHE 9 11.117 13.179 8.960 43 HE1 PHE 9 1HE PHE 9 10.194 9.872 5.438 44 HE2 PHE 9 2HE PHE 9 9.713 11.220 9.454 45 HZ PHE 9 HZ PHE 9 9.250 9.563 7.692 46 H ASP 10 H ASP 10 9.382 14.255 4.913 47 HA ASP 10 HA ASP 10 7.741 14.320 7.284 48 HB2 ASP 10 1HB ASP 10 7.534 16.413 5.156 49 HB3 ASP 10 2HB ASP 10 6.064 15.851 5.947 50 HA PRO 11 HA PRO 11 6.248 10.979 4.695 51 HB2 PRO 11 1HB PRO 11 4.735 9.832 6.636 52 HB3 PRO 11 2HB PRO 11 6.488 9.626 6.537 53 HG2 PRO 11 1HG PRO 11 4.893 11.477 8.267 54 HG3 PRO 11 2HG PRO 11 6.302 10.486 8.689 55 HD2 PRO 11 1HD PRO 11 6.489 13.137 8.171 56 HD3 PRO 11 2HD PRO 11 7.792 11.995 7.786 57 H SER 12 H SER 12 4.444 13.378 6.436 58 HA SER 12 HA SER 12 1.845 12.630 5.578 59 HB2 SER 12 1HB SER 12 3.057 15.099 6.764 60 HB3 SER 12 2HB SER 12 1.432 15.181 6.084 61 HG SER 12 HG SER 12 2.205 13.216 7.969 62 H LYS 13 H LYS 13 4.374 14.635 4.209 63 HA LYS 13 HA LYS 13 2.811 15.853 2.186 64 HB2 LYS 13 1HB LYS 13 5.781 15.288 2.154 65 HB3 LYS 13 2HB LYS 13 4.931 16.472 1.169 66 HG2 LYS 13 1HG LYS 13 5.252 16.534 4.162 67 HG3 LYS 13 2HG LYS 13 6.072 17.568 2.989 68 HD2 LYS 13 1HD LYS 13 3.081 17.457 3.363 69 HD3 LYS 13 2HD LYS 13 4.134 18.653 4.121 70 HE2 LYS 13 1HE LYS 13 4.823 19.472 1.953 71 HE3 LYS 13 2HE LYS 13 3.890 18.211 1.147 72 HZ1 LYS 13 1HZ LYS 13 2.414 19.913 2.982 73 HZ2 LYS 13 2HZ LYS 13 1.966 19.308 1.467 74 HZ3 LYS 13 3HZ LYS 13 2.972 20.665 1.572 75 H VAL 14 H VAL 14 3.707 12.669 2.612 76 HA VAL 14 HA VAL 14 4.050 11.995 -0.180 77 HB VAL 14 HB VAL 14 3.708 10.191 2.220 78 HG11 VAL 14 1HG1 VAL 14 4.225 8.372 0.876 79 HG12 VAL 14 2HG1 VAL 14 3.159 9.327 -0.157 80 HG13 VAL 14 3HG1 VAL 14 4.906 9.381 -0.401 81 HG21 VAL 14 1HG2 VAL 14 6.154 9.860 1.990 82 HG22 VAL 14 2HG2 VAL 14 6.180 11.134 0.771 83 HG23 VAL 14 3HG2 VAL 14 5.714 11.510 2.430 84 H VAL 15 H VAL 15 2.479 11.511 -1.563 85 HA VAL 15 HA VAL 15 -0.206 10.947 -0.484 86 HB VAL 15 HB VAL 15 0.518 12.214 -3.130 87 HG11 VAL 15 1HG1 VAL 15 -1.480 11.471 -3.785 88 HG12 VAL 15 2HG1 VAL 15 -1.915 10.964 -2.152 89 HG13 VAL 15 3HG1 VAL 15 -2.167 12.636 -2.654 90 HG21 VAL 15 1HG2 VAL 15 -0.782 13.408 -0.683 91 HG22 VAL 15 2HG2 VAL 15 0.875 13.699 -1.211 92 HG23 VAL 15 3HG2 VAL 15 -0.476 14.239 -2.208 93 H ALA 16 H ALA 16 -1.217 9.118 -1.076 94 HA ALA 16 HA ALA 16 -0.112 7.557 -3.307 95 HB1 ALA 16 1HB ALA 16 -0.911 6.330 -0.675 96 HB2 ALA 16 2HB ALA 16 -0.153 5.528 -2.052 97 HB3 ALA 16 3HB ALA 16 0.753 6.718 -1.116 98 H SER 17 H SER 17 -1.597 6.636 -4.609 99 HA SER 17 HA SER 17 -4.331 6.261 -3.691 100 HB2 SER 17 1HB SER 17 -3.536 8.219 -5.835 101 HB3 SER 17 2HB SER 17 -5.129 7.462 -5.839 102 HG SER 17 HG SER 17 -5.705 8.680 -4.220 103 H GLY 18 H GLY 18 -5.651 5.541 -5.838 104 HA2 GLY 18 1HA GLY 18 -5.106 4.328 -7.999 105 HA3 GLY 18 2HA GLY 18 -4.006 3.385 -7.004 106 HA PRO 19 HA PRO 19 -8.353 1.506 -7.175 107 HB2 PRO 19 1HB PRO 19 -7.734 -0.680 -8.662 108 HB3 PRO 19 2HB PRO 19 -8.270 0.847 -9.375 109 HG2 PRO 19 1HG PRO 19 -5.495 -0.236 -9.083 110 HG3 PRO 19 2HG PRO 19 -6.237 0.579 -10.471 111 HD2 PRO 19 1HD PRO 19 -4.584 1.853 -8.747 112 HD3 PRO 19 2HD PRO 19 -5.927 2.676 -9.566 113 H GLY 20 H GLY 20 -5.118 0.132 -6.807 114 HA2 GLY 20 1HA GLY 20 -5.766 -2.225 -5.464 115 HA3 GLY 20 2HA GLY 20 -4.260 -1.341 -5.272 116 H LEU 21 H LEU 21 -5.626 1.067 -4.284 117 HA LEU 21 HA LEU 21 -5.772 0.273 -1.511 118 HB2 LEU 21 1HB LEU 21 -5.626 2.828 -3.011 119 HB3 LEU 21 2HB LEU 21 -6.347 2.871 -1.403 120 HG LEU 21 HG LEU 21 -3.683 1.579 -1.725 121 HD11 LEU 21 1HD1 LEU 21 -2.858 4.029 -1.164 122 HD12 LEU 21 2HD1 LEU 21 -4.270 4.461 -2.128 123 HD13 LEU 21 3HD1 LEU 21 -3.002 3.452 -2.825 124 HD21 LEU 21 1HD2 LEU 21 -4.175 3.443 0.462 125 HD22 LEU 21 2HD2 LEU 21 -3.616 1.770 0.499 126 HD23 LEU 21 3HD2 LEU 21 -5.342 2.121 0.395 127 H GLU 22 H GLU 22 -7.959 0.327 -3.978 128 HA GLU 22 HA GLU 22 -10.212 0.982 -2.201 129 HB2 GLU 22 1HB GLU 22 -10.322 0.737 -5.204 130 HB3 GLU 22 2HB GLU 22 -11.524 1.449 -4.137 131 HG2 GLU 22 1HG GLU 22 -9.635 3.109 -3.524 132 HG3 GLU 22 2HG GLU 22 -8.897 2.552 -5.025 133 H HIS 23 H HIS 23 -8.866 -1.446 -4.344 134 HA HIS 23 HA HIS 23 -10.171 -3.568 -3.003 135 HB2 HIS 23 1HB HIS 23 -11.587 -4.362 -4.880 136 HB3 HIS 23 2HB HIS 23 -12.140 -2.829 -4.213 137 HD1 HIS 23 1HD HIS 23 -10.500 -4.296 -7.257 138 HD2 HIS 23 2HD HIS 23 -12.099 -0.684 -5.971 139 HE1 HIS 23 1HE HIS 23 -10.637 -2.853 -9.311 140 HE2 HIS 23 2HE HIS 23 -11.528 -0.644 -8.494 141 H GLY 24 H GLY 24 -9.780 -5.696 -4.129 142 HA2 GLY 24 1HA GLY 24 -7.656 -5.648 -6.125 143 HA3 GLY 24 2HA GLY 24 -7.225 -6.304 -4.552 144 H LYS 25 H LYS 25 -6.888 -7.978 -6.558 145 HA LYS 25 HA LYS 25 -9.040 -9.923 -6.168 146 HB2 LYS 25 1HB LYS 25 -9.172 -8.595 -8.417 147 HB3 LYS 25 2HB LYS 25 -7.832 -9.629 -8.897 148 HG2 LYS 25 1HG LYS 25 -9.236 -11.604 -8.364 149 HG3 LYS 25 2HG LYS 25 -10.584 -10.508 -8.051 150 HD2 LYS 25 1HD LYS 25 -10.838 -9.969 -10.264 151 HD3 LYS 25 2HD LYS 25 -9.140 -10.270 -10.643 152 HE2 LYS 25 1HE LYS 25 -10.252 -12.035 -11.678 153 HE3 LYS 25 2HE LYS 25 -9.687 -12.736 -10.162 154 HZ1 LYS 25 1HZ LYS 25 -12.012 -13.296 -10.699 155 HZ2 LYS 25 2HZ LYS 25 -12.420 -11.658 -10.592 156 HZ3 LYS 25 3HZ LYS 25 -11.860 -12.481 -9.224 157 H VAL 26 H VAL 26 -8.358 -12.008 -5.992 158 HA VAL 26 HA VAL 26 -5.735 -12.567 -5.277 159 HB VAL 26 HB VAL 26 -7.876 -14.444 -6.281 160 HG11 VAL 26 1HG1 VAL 26 -6.070 -15.803 -6.565 161 HG12 VAL 26 2HG1 VAL 26 -5.092 -14.938 -5.378 162 HG13 VAL 26 3HG1 VAL 26 -6.343 -16.060 -4.842 163 HG21 VAL 26 1HG2 VAL 26 -7.027 -13.482 -3.570 164 HG22 VAL 26 2HG2 VAL 26 -8.638 -13.495 -4.288 165 HG23 VAL 26 3HG2 VAL 26 -7.890 -15.006 -3.774 166 H GLY 27 H GLY 27 -3.984 -12.414 -6.517 167 HA2 GLY 27 1HA GLY 27 -2.593 -13.377 -8.202 168 HA3 GLY 27 2HA GLY 27 -4.033 -13.715 -9.151 169 H GLU 28 H GLU 28 -4.941 -10.876 -8.418 170 HA GLU 28 HA GLU 28 -3.880 -9.647 -10.785 171 HB2 GLU 28 1HB GLU 28 -5.939 -8.937 -8.746 172 HB3 GLU 28 2HB GLU 28 -5.275 -7.650 -9.742 173 HG2 GLU 28 1HG GLU 28 -6.577 -10.153 -10.788 174 HG3 GLU 28 2HG GLU 28 -7.356 -8.577 -10.649 175 H ALA 29 H ALA 29 -3.481 -7.083 -10.382 176 HA ALA 29 HA ALA 29 -1.407 -6.885 -8.297 177 HB1 ALA 29 1HB ALA 29 -0.916 -5.240 -10.653 178 HB2 ALA 29 2HB ALA 29 0.175 -6.302 -9.762 179 HB3 ALA 29 3HB ALA 29 -0.897 -6.971 -10.992 180 H GLY 30 H GLY 30 -1.792 -5.304 -6.897 181 HA2 GLY 30 1HA GLY 30 -3.869 -3.372 -7.386 182 HA3 GLY 30 2HA GLY 30 -2.893 -3.512 -5.931 183 H LEU 31 H LEU 31 -3.398 -1.814 -8.839 184 HA LEU 31 HA LEU 31 -0.835 -0.652 -9.161 185 HB2 LEU 31 1HB LEU 31 -3.560 0.317 -10.006 186 HB3 LEU 31 2HB LEU 31 -2.038 1.045 -10.517 187 HG LEU 31 HG LEU 31 -2.895 -1.782 -11.134 188 HD11 LEU 31 1HD1 LEU 31 -2.620 0.019 -13.377 189 HD12 LEU 31 2HD1 LEU 31 -3.854 0.572 -12.247 190 HD13 LEU 31 3HD1 LEU 31 -3.957 -1.046 -12.941 191 HD21 LEU 31 1HD2 LEU 31 -0.412 -0.247 -11.515 192 HD22 LEU 31 2HD2 LEU 31 -0.977 -1.146 -12.923 193 HD23 LEU 31 3HD2 LEU 31 -0.668 -1.989 -11.404 194 H LEU 32 H LEU 32 0.151 0.847 -7.987 195 HA LEU 32 HA LEU 32 -1.449 2.805 -6.509 196 HB2 LEU 32 1HB LEU 32 0.865 1.331 -5.267 197 HB3 LEU 32 2HB LEU 32 -0.195 2.506 -4.490 198 HG LEU 32 HG LEU 32 -1.046 -0.225 -5.452 199 HD11 LEU 32 1HD1 LEU 32 -0.018 -0.951 -3.610 200 HD12 LEU 32 2HD1 LEU 32 -1.314 -0.152 -2.721 201 HD13 LEU 32 3HD1 LEU 32 0.216 0.684 -2.989 202 HD21 LEU 32 1HD2 LEU 32 -2.630 1.321 -3.500 203 HD22 LEU 32 2HD2 LEU 32 -3.156 0.267 -4.813 204 HD23 LEU 32 3HD2 LEU 32 -2.639 1.918 -5.160 205 H SER 33 H SER 33 -0.678 4.813 -6.685 206 HA SER 33 HA SER 33 2.085 5.151 -7.656 207 HB2 SER 33 1HB SER 33 -0.472 6.436 -8.506 208 HB3 SER 33 2HB SER 33 1.002 7.402 -8.556 209 HG SER 33 HG SER 33 0.458 6.160 -10.508 210 H VAL 34 H VAL 34 3.384 6.230 -6.338 211 HA VAL 34 HA VAL 34 2.184 7.880 -4.218 212 HB VAL 34 HB VAL 34 4.923 6.608 -4.327 213 HG11 VAL 34 1HG1 VAL 34 5.350 8.375 -2.960 214 HG12 VAL 34 2HG1 VAL 34 3.662 8.555 -2.479 215 HG13 VAL 34 3HG1 VAL 34 4.651 7.279 -1.769 216 HG21 VAL 34 1HG2 VAL 34 2.418 5.508 -3.663 217 HG22 VAL 34 2HG2 VAL 34 4.011 4.789 -3.432 218 HG23 VAL 34 3HG2 VAL 34 3.282 5.748 -2.145 219 H ASP 35 H ASP 35 2.175 9.970 -4.715 220 HA ASP 35 HA ASP 35 4.237 11.089 -6.438 221 HB2 ASP 35 1HB ASP 35 1.648 11.586 -6.461 222 HB3 ASP 35 2HB ASP 35 2.072 12.743 -5.202 223 H CYS 36 H CYS 36 6.098 11.560 -5.454 224 HA CYS 36 HA CYS 36 6.042 12.693 -2.751 225 HB2 CYS 36 1HB CYS 36 8.194 11.897 -2.438 226 HB3 CYS 36 2HB CYS 36 7.528 10.676 -3.515 227 HG CYS 36 HG CYS 36 10.303 11.642 -4.000 228 H SER 37 H SER 37 6.606 14.745 -2.336 229 HA SER 37 HA SER 37 7.859 16.313 -4.486 230 HB2 SER 37 1HB SER 37 5.304 16.841 -3.039 231 HB3 SER 37 2HB SER 37 6.326 18.222 -3.439 232 HG SER 37 HG SER 37 6.312 16.969 -5.630 233 H GLU 38 H GLU 38 6.681 17.100 -1.224 234 HA GLU 38 HA GLU 38 9.395 18.031 -0.571 235 HB2 GLU 38 1HB GLU 38 6.667 18.960 0.213 236 HB3 GLU 38 2HB GLU 38 7.992 19.199 1.344 237 HG2 GLU 38 1HG GLU 38 9.211 20.488 -0.285 238 HG3 GLU 38 2HG GLU 38 7.983 20.163 -1.506 239 H ALA 39 H ALA 39 8.049 15.285 -0.314 240 HA ALA 39 HA ALA 39 7.707 14.690 2.413 241 HB1 ALA 39 1HB ALA 39 7.059 12.762 1.533 242 HB2 ALA 39 2HB ALA 39 7.670 13.271 -0.042 243 HB3 ALA 39 3HB ALA 39 8.723 12.401 1.074 244 H GLY 40 H GLY 40 10.477 15.602 0.772 245 HA2 GLY 40 1HA GLY 40 12.665 15.764 1.463 246 HA3 GLY 40 2HA GLY 40 12.143 15.183 3.037 247 HA PRO 41 HA PRO 41 14.877 11.936 1.235 248 HB2 PRO 41 1HB PRO 41 16.148 11.400 3.574 249 HB3 PRO 41 2HB PRO 41 16.653 12.694 2.480 250 HG2 PRO 41 1HG PRO 41 15.005 12.857 4.974 251 HG3 PRO 41 2HG PRO 41 16.317 13.918 4.429 252 HD2 PRO 41 1HD PRO 41 13.704 14.570 4.149 253 HD3 PRO 41 2HD PRO 41 14.945 15.082 2.988 254 H GLY 42 H GLY 42 15.458 9.763 2.714 255 HA2 GLY 42 1HA GLY 42 14.520 8.075 4.112 256 HA3 GLY 42 2HA GLY 42 12.951 8.850 3.943 257 H ALA 43 H ALA 43 13.203 6.136 3.617 258 HA ALA 43 HA ALA 43 12.945 5.788 0.701 259 HB1 ALA 43 1HB ALA 43 13.595 3.650 2.724 260 HB2 ALA 43 2HB ALA 43 13.591 3.490 0.967 261 HB3 ALA 43 3HB ALA 43 14.794 4.509 1.757 262 H LEU 44 H LEU 44 11.263 4.423 -0.071 263 HA LEU 44 HA LEU 44 8.919 4.427 1.683 264 HB2 LEU 44 1HB LEU 44 8.497 5.525 -0.360 265 HB3 LEU 44 2HB LEU 44 9.270 4.247 -1.295 266 HG LEU 44 HG LEU 44 7.403 2.745 -0.771 267 HD11 LEU 44 1HD1 LEU 44 5.513 4.694 0.140 268 HD12 LEU 44 2HD1 LEU 44 6.876 4.615 1.255 269 HD13 LEU 44 3HD1 LEU 44 5.969 3.153 0.868 270 HD21 LEU 44 1HD2 LEU 44 6.193 3.508 -2.504 271 HD22 LEU 44 2HD2 LEU 44 7.460 4.730 -2.613 272 HD23 LEU 44 3HD2 LEU 44 5.952 5.095 -1.774 273 H GLY 45 H GLY 45 7.740 2.600 2.145 274 HA2 GLY 45 1HA GLY 45 8.476 0.057 0.947 275 HA3 GLY 45 2HA GLY 45 8.856 0.222 2.655 276 H LEU 46 H LEU 46 6.812 -1.328 0.888 277 HA LEU 46 HA LEU 46 4.497 -0.759 2.620 278 HB2 LEU 46 1HB LEU 46 4.018 -0.086 0.343 279 HB3 LEU 46 2HB LEU 46 4.510 -1.671 -0.253 280 HG LEU 46 HG LEU 46 2.550 -2.464 1.354 281 HD11 LEU 46 1HD1 LEU 46 1.507 -0.705 2.262 282 HD12 LEU 46 2HD1 LEU 46 0.763 -0.523 0.674 283 HD13 LEU 46 3HD1 LEU 46 2.188 0.428 1.094 284 HD21 LEU 46 1HD2 LEU 46 1.070 -2.441 -0.594 285 HD22 LEU 46 2HD2 LEU 46 2.710 -2.920 -1.034 286 HD23 LEU 46 3HD2 LEU 46 2.140 -1.289 -1.394 287 H GLU 47 H GLU 47 3.251 -2.546 3.302 288 HA GLU 47 HA GLU 47 4.376 -5.203 2.794 289 HB2 GLU 47 1HB GLU 47 5.387 -4.347 4.886 290 HB3 GLU 47 2HB GLU 47 3.777 -4.135 5.558 291 HG2 GLU 47 1HG GLU 47 3.391 -6.550 5.362 292 HG3 GLU 47 2HG GLU 47 5.027 -6.746 4.736 293 H ALA 48 H ALA 48 2.711 -6.204 1.860 294 HA ALA 48 HA ALA 48 -0.012 -5.693 2.769 295 HB1 ALA 48 1HB ALA 48 -0.747 -6.517 0.760 296 HB2 ALA 48 2HB ALA 48 0.841 -5.904 0.296 297 HB3 ALA 48 3HB ALA 48 0.613 -7.628 0.593 298 H VAL 49 H VAL 49 -0.805 -6.868 4.376 299 HA VAL 49 HA VAL 49 -0.163 -9.738 4.475 300 HB VAL 49 HB VAL 49 -0.181 -7.808 6.792 301 HG11 VAL 49 1HG1 VAL 49 -0.651 -10.734 6.716 302 HG12 VAL 49 2HG1 VAL 49 0.394 -10.111 7.994 303 HG13 VAL 49 3HG1 VAL 49 -1.259 -9.516 7.837 304 HG21 VAL 49 1HG2 VAL 49 1.900 -8.221 5.355 305 HG22 VAL 49 2HG2 VAL 49 2.065 -8.385 7.103 306 HG23 VAL 49 3HG2 VAL 49 1.930 -9.823 6.092 307 H SER 50 H SER 50 -1.902 -11.000 4.547 308 HA SER 50 HA SER 50 -4.524 -9.813 4.725 309 HB2 SER 50 1HB SER 50 -3.692 -11.798 3.212 310 HB3 SER 50 2HB SER 50 -4.086 -12.776 4.626 311 HG SER 50 HG SER 50 -5.955 -10.912 3.674 312 H ASP 51 H ASP 51 -6.219 -10.743 6.118 313 HA ASP 51 HA ASP 51 -5.581 -10.563 8.820 314 HB2 ASP 51 1HB ASP 51 -7.878 -10.403 7.615 315 HB3 ASP 51 2HB ASP 51 -7.954 -12.144 7.872 316 H SER 52 H SER 52 -5.164 -13.171 6.672 317 HA SER 52 HA SER 52 -5.021 -15.129 8.849 318 HB2 SER 52 1HB SER 52 -5.349 -15.308 5.891 319 HB3 SER 52 2HB SER 52 -4.533 -16.642 6.707 320 HG SER 52 HG SER 52 -6.925 -15.690 7.795 321 H GLY 53 H GLY 53 -3.037 -12.940 8.267 322 HA2 GLY 53 1HA GLY 53 -0.759 -12.664 8.278 323 HA3 GLY 53 2HA GLY 53 -0.699 -14.289 8.946 324 H THR 54 H THR 54 -1.527 -12.906 5.764 325 HA THR 54 HA THR 54 0.349 -14.838 4.564 326 HB THR 54 HB THR 54 -1.893 -13.647 2.980 327 HG1 THR 54 1HG THR 54 -2.102 -15.549 5.031 328 HG21 THR 54 1HG2 THR 54 -1.224 -15.129 1.452 329 HG22 THR 54 2HG2 THR 54 -1.337 -16.453 2.611 330 HG23 THR 54 3HG2 THR 54 0.145 -15.504 2.499 331 H LYS 55 H LYS 55 2.162 -13.657 4.262 332 HA LYS 55 HA LYS 55 2.191 -10.917 3.535 333 HB2 LYS 55 1HB LYS 55 4.384 -12.978 3.237 334 HB3 LYS 55 2HB LYS 55 4.594 -11.233 3.194 335 HG2 LYS 55 1HG LYS 55 4.384 -11.010 5.447 336 HG3 LYS 55 2HG LYS 55 3.316 -12.407 5.599 337 HD2 LYS 55 1HD LYS 55 6.180 -12.773 4.811 338 HD3 LYS 55 2HD LYS 55 5.745 -12.550 6.507 339 HE2 LYS 55 1HE LYS 55 5.653 -14.833 6.355 340 HE3 LYS 55 2HE LYS 55 3.984 -14.424 5.961 341 HZ1 LYS 55 1HZ LYS 55 4.258 -14.989 3.792 342 HZ2 LYS 55 2HZ LYS 55 5.390 -16.046 4.471 343 HZ3 LYS 55 3HZ LYS 55 5.904 -14.599 3.761 344 H ALA 56 H ALA 56 1.533 -10.143 1.647 345 HA ALA 56 HA ALA 56 1.494 -11.789 -0.727 346 HB1 ALA 56 1HB ALA 56 0.891 -9.049 -1.283 347 HB2 ALA 56 2HB ALA 56 -0.179 -10.451 -1.302 348 HB3 ALA 56 3HB ALA 56 0.063 -9.547 0.193 349 H GLU 57 H GLU 57 2.351 -10.931 -2.806 350 HA GLU 57 HA GLU 57 5.123 -10.194 -2.459 351 HB2 GLU 57 1HB GLU 57 4.784 -11.860 -4.089 352 HB3 GLU 57 2HB GLU 57 3.444 -10.990 -4.823 353 HG2 GLU 57 1HG GLU 57 4.807 -9.604 -6.013 354 HG3 GLU 57 2HG GLU 57 6.122 -9.711 -4.844 355 H VAL 58 H VAL 58 5.738 -8.150 -2.300 356 HA VAL 58 HA VAL 58 4.238 -6.104 -3.802 357 HB VAL 58 HB VAL 58 5.705 -5.805 -1.178 358 HG11 VAL 58 1HG1 VAL 58 4.403 -3.775 -2.976 359 HG12 VAL 58 2HG1 VAL 58 4.710 -3.477 -1.264 360 HG13 VAL 58 3HG1 VAL 58 6.055 -3.790 -2.361 361 HG21 VAL 58 1HG2 VAL 58 2.784 -5.345 -1.716 362 HG22 VAL 58 2HG2 VAL 58 3.414 -6.914 -1.215 363 HG23 VAL 58 3HG2 VAL 58 3.601 -5.511 -0.162 364 H SER 59 H SER 59 5.380 -4.533 -4.909 365 HA SER 59 HA SER 59 8.304 -4.709 -4.913 366 HB2 SER 59 1HB SER 59 7.342 -6.147 -6.762 367 HB3 SER 59 2HB SER 59 6.708 -4.666 -7.481 368 HG SER 59 HG SER 59 9.025 -3.945 -7.278 369 H ILE 60 H ILE 60 9.356 -2.808 -5.404 370 HA ILE 60 HA ILE 60 7.637 -0.455 -5.845 371 HB ILE 60 HB ILE 60 10.139 -0.572 -4.158 372 HG12 ILE 60 1HG1 ILE 60 7.418 0.118 -3.117 373 HG13 ILE 60 2HG1 ILE 60 7.847 -1.575 -3.339 374 HG21 ILE 60 1HG2 ILE 60 8.643 1.624 -5.345 375 HG22 ILE 60 2HG2 ILE 60 8.829 1.780 -3.600 376 HG23 ILE 60 3HG2 ILE 60 10.253 1.608 -4.626 377 HD11 ILE 60 1HD1 ILE 60 8.239 -0.335 -1.055 378 HD12 ILE 60 2HD1 ILE 60 9.370 -1.551 -1.649 379 HD13 ILE 60 3HD1 ILE 60 9.733 0.164 -1.848 380 H GLN 61 H GLN 61 8.120 0.733 -7.570 381 HA GLN 61 HA GLN 61 10.761 0.359 -8.821 382 HB2 GLN 61 1HB GLN 61 8.699 -0.448 -10.080 383 HB3 GLN 61 2HB GLN 61 8.256 1.245 -10.246 384 HG2 GLN 61 1HG GLN 61 10.002 1.704 -11.676 385 HG3 GLN 61 2HG GLN 61 10.958 0.333 -11.116 386 HE21 GLN 61 1HE2 GLN 61 10.971 -1.425 -12.328 387 HE22 GLN 61 2HE2 GLN 61 9.854 -1.789 -13.595 388 H ASN 62 H ASN 62 12.021 2.092 -9.114 389 HA ASN 62 HA ASN 62 11.177 4.627 -8.045 390 HB2 ASN 62 1HB ASN 62 13.765 3.967 -9.465 391 HB3 ASN 62 2HB ASN 62 13.459 5.335 -8.399 392 HD21 ASN 62 1HD2 ASN 62 12.820 4.765 -6.154 393 HD22 ASN 62 2HD2 ASN 62 13.609 3.415 -5.418 394 H ASN 63 H ASN 63 11.225 6.636 -9.181 395 HA ASN 63 HA ASN 63 11.181 6.514 -12.096 396 HB2 ASN 63 1HB ASN 63 8.883 7.633 -10.475 397 HB3 ASN 63 2HB ASN 63 9.032 7.697 -12.228 398 HD21 ASN 63 1HD2 ASN 63 7.554 6.135 -9.796 399 HD22 ASN 63 2HD2 ASN 63 7.266 4.605 -10.544 400 H LYS 64 H LYS 64 12.146 8.231 -12.976 401 HA LYS 64 HA LYS 64 13.416 10.183 -11.410 402 HB2 LYS 64 1HB LYS 64 14.136 9.455 -13.688 403 HB3 LYS 64 2HB LYS 64 12.777 10.345 -14.360 404 HG2 LYS 64 1HG LYS 64 13.691 12.414 -13.777 405 HG3 LYS 64 2HG LYS 64 14.829 11.689 -12.639 406 HD2 LYS 64 1HD LYS 64 16.237 12.086 -14.397 407 HD3 LYS 64 2HD LYS 64 15.683 10.464 -14.819 408 HE2 LYS 64 1HE LYS 64 13.893 11.556 -16.209 409 HE3 LYS 64 2HE LYS 64 14.710 13.092 -15.924 410 HZ1 LYS 64 1HZ LYS 64 15.269 11.833 -18.045 411 HZ2 LYS 64 2HZ LYS 64 16.145 10.772 -17.060 412 HZ3 LYS 64 3HZ LYS 64 16.568 12.409 -17.126 413 H ASP 65 H ASP 65 10.199 9.944 -12.382 414 HA ASP 65 HA ASP 65 9.675 12.788 -12.487 415 HB2 ASP 65 1HB ASP 65 7.914 10.345 -12.627 416 HB3 ASP 65 2HB ASP 65 7.252 11.976 -12.566 417 H GLY 66 H GLY 66 10.699 11.256 -10.022 418 HA2 GLY 66 1HA GLY 66 10.488 11.497 -7.748 419 HA3 GLY 66 2HA GLY 66 9.431 12.861 -8.083 420 H THR 67 H THR 67 8.823 9.572 -9.152 421 HA THR 67 HA THR 67 6.683 9.339 -7.148 422 HB THR 67 HB THR 67 5.367 8.145 -9.035 423 HG1 THR 67 1HG THR 67 6.798 9.920 -10.706 424 HG21 THR 67 1HG2 THR 67 5.275 10.931 -9.804 425 HG22 THR 67 2HG2 THR 67 5.373 10.755 -8.052 426 HG23 THR 67 3HG2 THR 67 4.076 9.964 -8.947 427 H TYR 68 H TYR 68 5.847 7.079 -6.971 428 HA TYR 68 HA TYR 68 7.907 5.083 -7.621 429 HB2 TYR 68 1HB TYR 68 6.494 5.410 -4.967 430 HB3 TYR 68 2HB TYR 68 7.519 4.044 -5.393 431 HD1 TYR 68 2HD TYR 68 7.481 7.658 -4.670 432 HD2 TYR 68 1HD TYR 68 9.904 4.228 -5.354 433 HE1 TYR 68 2HE TYR 68 9.451 8.897 -3.874 434 HE2 TYR 68 1HE TYR 68 11.880 5.457 -4.559 435 HH TYR 68 HH TYR 68 12.188 7.565 -2.893 436 H ALA 69 H ALA 69 7.147 3.266 -8.506 437 HA ALA 69 HA ALA 69 4.252 2.961 -8.752 438 HB1 ALA 69 1HB ALA 69 4.820 2.457 -10.841 439 HB2 ALA 69 2HB ALA 69 6.529 2.349 -10.415 440 HB3 ALA 69 3HB ALA 69 5.482 0.942 -10.225 441 H VAL 70 H VAL 70 3.564 2.063 -6.848 442 HA VAL 70 HA VAL 70 4.875 -0.367 -5.880 443 HB VAL 70 HB VAL 70 2.787 1.437 -4.669 444 HG11 VAL 70 1HG1 VAL 70 1.969 -0.499 -3.805 445 HG12 VAL 70 2HG1 VAL 70 3.495 -1.363 -3.999 446 HG13 VAL 70 3HG1 VAL 70 3.282 -0.236 -2.659 447 HG21 VAL 70 1HG2 VAL 70 5.271 1.996 -4.624 448 HG22 VAL 70 2HG2 VAL 70 4.430 1.978 -3.074 449 HG23 VAL 70 3HG2 VAL 70 5.449 0.617 -3.540 450 H THR 71 H THR 71 3.919 -2.348 -5.847 451 HA THR 71 HA THR 71 1.140 -2.617 -6.700 452 HB THR 71 HB THR 71 3.136 -4.390 -8.048 453 HG1 THR 71 1HG THR 71 2.519 -1.707 -8.729 454 HG21 THR 71 1HG2 THR 71 0.391 -3.342 -8.735 455 HG22 THR 71 2HG2 THR 71 0.827 -4.992 -8.287 456 HG23 THR 71 3HG2 THR 71 1.373 -4.321 -9.824 457 H TYR 72 H TYR 72 0.137 -4.479 -5.982 458 HA TYR 72 HA TYR 72 1.767 -6.383 -4.452 459 HB2 TYR 72 1HB TYR 72 0.417 -6.262 -2.540 460 HB3 TYR 72 2HB TYR 72 0.615 -4.578 -3.014 461 HD1 TYR 72 2HD TYR 72 -1.728 -7.445 -3.103 462 HD2 TYR 72 1HD TYR 72 -1.256 -3.242 -3.568 463 HE1 TYR 72 2HE TYR 72 -4.173 -7.182 -3.163 464 HE2 TYR 72 1HE TYR 72 -3.699 -2.968 -3.628 465 HH TYR 72 HH TYR 72 -5.703 -4.152 -2.897 466 H VAL 73 H VAL 73 1.260 -8.453 -4.812 467 HA VAL 73 HA VAL 73 -1.213 -9.018 -6.310 468 HB VAL 73 HB VAL 73 1.414 -10.507 -6.313 469 HG11 VAL 73 1HG1 VAL 73 0.125 -12.298 -6.728 470 HG12 VAL 73 2HG1 VAL 73 -1.291 -11.317 -7.111 471 HG13 VAL 73 3HG1 VAL 73 -0.047 -11.587 -8.332 472 HG21 VAL 73 1HG2 VAL 73 1.246 -8.360 -7.616 473 HG22 VAL 73 2HG2 VAL 73 1.652 -9.790 -8.566 474 HG23 VAL 73 3HG2 VAL 73 0.011 -9.144 -8.602 475 HA PRO 74 HA PRO 74 -2.137 -11.063 -2.373 476 HB2 PRO 74 1HB PRO 74 -4.808 -11.207 -2.838 477 HB3 PRO 74 2HB PRO 74 -4.016 -9.748 -2.232 478 HG2 PRO 74 1HG PRO 74 -4.860 -10.425 -5.023 479 HG3 PRO 74 2HG PRO 74 -5.030 -8.895 -4.143 480 HD2 PRO 74 1HD PRO 74 -3.070 -9.319 -5.963 481 HD3 PRO 74 2HD PRO 74 -2.845 -8.277 -4.543 482 H LEU 75 H LEU 75 -1.678 -13.167 -2.271 483 HA LEU 75 HA LEU 75 -2.186 -14.968 -4.433 484 HB2 LEU 75 1HB LEU 75 -1.177 -15.362 -1.627 485 HB3 LEU 75 2HB LEU 75 -1.379 -16.691 -2.767 486 HG LEU 75 HG LEU 75 0.420 -14.320 -3.249 487 HD11 LEU 75 1HD1 LEU 75 1.797 -16.795 -2.812 488 HD12 LEU 75 2HD1 LEU 75 0.793 -16.408 -1.415 489 HD13 LEU 75 3HD1 LEU 75 1.990 -15.247 -1.989 490 HD21 LEU 75 1HD2 LEU 75 1.416 -16.146 -4.827 491 HD22 LEU 75 2HD2 LEU 75 0.008 -15.211 -5.330 492 HD23 LEU 75 3HD2 LEU 75 -0.197 -16.849 -4.708 493 H THR 76 H THR 76 -3.734 -14.228 -1.379 494 HA THR 76 HA THR 76 -5.881 -16.122 -2.077 495 HB THR 76 HB THR 76 -4.817 -17.037 -0.147 496 HG1 THR 76 1HG THR 76 -6.578 -16.456 1.498 497 HG21 THR 76 1HG2 THR 76 -4.970 -14.243 0.978 498 HG22 THR 76 2HG2 THR 76 -3.525 -15.202 0.657 499 HG23 THR 76 3HG2 THR 76 -4.620 -15.666 1.959 500 H ALA 77 H ALA 77 -8.022 -15.520 -1.373 501 HA ALA 77 HA ALA 77 -8.439 -12.649 -1.566 502 HB1 ALA 77 1HB ALA 77 -10.352 -13.171 -2.578 503 HB2 ALA 77 2HB ALA 77 -9.805 -14.848 -2.547 504 HB3 ALA 77 3HB ALA 77 -10.844 -14.237 -1.261 505 H GLY 78 H GLY 78 -9.523 -11.396 -0.050 506 HA2 GLY 78 1HA GLY 78 -10.960 -11.836 2.107 507 HA3 GLY 78 2HA GLY 78 -9.418 -12.459 2.675 508 H MET 79 H MET 79 -10.240 -10.581 4.220 509 HA MET 79 HA MET 79 -9.782 -7.911 3.407 510 HB2 MET 79 1HB MET 79 -10.164 -9.321 5.996 511 HB3 MET 79 2HB MET 79 -9.426 -7.726 6.050 512 HG2 MET 79 1HG MET 79 -11.903 -8.053 4.456 513 HG3 MET 79 2HG MET 79 -12.037 -8.079 6.212 514 HE1 MET 79 1HE MET 79 -10.695 -6.152 3.137 515 HE2 MET 79 2HE MET 79 -10.313 -4.557 3.786 516 HE3 MET 79 3HE MET 79 -9.313 -5.946 4.214 517 H TYR 80 H TYR 80 -7.943 -6.852 3.077 518 HA TYR 80 HA TYR 80 -5.447 -8.052 4.074 519 HB2 TYR 80 1HB TYR 80 -6.163 -6.639 1.558 520 HB3 TYR 80 2HB TYR 80 -4.545 -6.372 2.198 521 HD1 TYR 80 2HD TYR 80 -6.876 -8.926 0.911 522 HD2 TYR 80 1HD TYR 80 -2.875 -8.072 2.081 523 HE1 TYR 80 2HE TYR 80 -6.136 -11.044 -0.095 524 HE2 TYR 80 1HE TYR 80 -2.124 -10.188 1.077 525 HH TYR 80 HH TYR 80 -3.740 -11.871 -1.089 526 H THR 81 H THR 81 -3.751 -6.612 4.763 527 HA THR 81 HA THR 81 -4.748 -4.012 5.730 528 HB THR 81 HB THR 81 -2.808 -5.811 7.194 529 HG1 THR 81 1HG THR 81 -5.590 -5.539 7.287 530 HG21 THR 81 1HG2 THR 81 -2.281 -3.917 8.261 531 HG22 THR 81 2HG2 THR 81 -3.903 -3.969 8.953 532 HG23 THR 81 3HG2 THR 81 -3.597 -3.031 7.491 533 H LEU 82 H LEU 82 -3.819 -2.877 4.013 534 HA LEU 82 HA LEU 82 -1.117 -3.178 3.210 535 HB2 LEU 82 1HB LEU 82 -2.760 -0.684 2.887 536 HB3 LEU 82 2HB LEU 82 -1.449 -1.266 1.863 537 HG LEU 82 HG LEU 82 -4.111 -2.657 2.117 538 HD11 LEU 82 1HD1 LEU 82 -4.747 -0.664 1.139 539 HD12 LEU 82 2HD1 LEU 82 -4.355 -1.657 -0.265 540 HD13 LEU 82 3HD1 LEU 82 -3.202 -0.454 0.313 541 HD21 LEU 82 1HD2 LEU 82 -1.650 -3.453 1.036 542 HD22 LEU 82 2HD2 LEU 82 -2.676 -3.042 -0.339 543 HD23 LEU 82 3HD2 LEU 82 -3.218 -4.237 0.840 544 H THR 83 H THR 83 0.693 -2.439 4.101 545 HA THR 83 HA THR 83 0.495 -0.274 6.092 546 HB THR 83 HB THR 83 2.438 -2.587 6.218 547 HG1 THR 83 1HG THR 83 0.963 -3.623 7.328 548 HG21 THR 83 1HG2 THR 83 2.071 -1.345 8.718 549 HG22 THR 83 2HG2 THR 83 2.297 -0.047 7.546 550 HG23 THR 83 3HG2 THR 83 3.510 -1.317 7.701 551 H MET 84 H MET 84 1.268 1.444 4.997 552 HA MET 84 HA MET 84 3.799 1.127 3.531 553 HB2 MET 84 1HB MET 84 1.778 1.994 2.292 554 HB3 MET 84 2HB MET 84 1.848 3.422 3.317 555 HG2 MET 84 1HG MET 84 4.124 3.869 2.485 556 HG3 MET 84 2HG MET 84 3.974 2.484 1.406 557 HE1 MET 84 1HE MET 84 3.042 2.687 -1.010 558 HE2 MET 84 2HE MET 84 1.604 2.310 -0.062 559 HE3 MET 84 3HE MET 84 1.542 3.570 -1.295 560 H LYS 85 H LYS 85 5.577 1.947 4.405 561 HA LYS 85 HA LYS 85 5.310 4.146 6.347 562 HB2 LYS 85 1HB LYS 85 6.842 1.589 6.527 563 HB3 LYS 85 2HB LYS 85 7.519 3.027 7.280 564 HG2 LYS 85 1HG LYS 85 5.083 3.194 8.300 565 HG3 LYS 85 2HG LYS 85 5.113 1.454 8.007 566 HD2 LYS 85 1HD LYS 85 7.474 1.647 9.170 567 HD3 LYS 85 2HD LYS 85 6.757 3.102 9.866 568 HE2 LYS 85 1HE LYS 85 4.853 1.735 10.656 569 HE3 LYS 85 2HE LYS 85 5.660 0.297 10.034 570 HZ1 LYS 85 1HZ LYS 85 7.572 0.955 11.523 571 HZ2 LYS 85 2HZ LYS 85 6.181 0.387 12.301 572 HZ3 LYS 85 3HZ LYS 85 6.511 2.046 12.264 573 H TYR 86 H TYR 86 6.271 5.926 5.649 574 HA TYR 86 HA TYR 86 8.491 5.682 3.738 575 HB2 TYR 86 1HB TYR 86 6.353 6.997 3.171 576 HB3 TYR 86 2HB TYR 86 6.950 8.207 4.301 577 HD1 TYR 86 1HD TYR 86 9.075 9.402 3.821 578 HD2 TYR 86 2HD TYR 86 7.293 6.771 0.992 579 HE1 TYR 86 1HE TYR 86 10.458 10.387 2.043 580 HE2 TYR 86 2HE TYR 86 8.673 7.748 -0.794 581 HH TYR 86 HH TYR 86 10.999 10.345 -0.107 582 H GLY 87 H GLY 87 10.465 5.993 4.510 583 HA2 GLY 87 1HA GLY 87 12.215 6.832 5.737 584 HA3 GLY 87 2HA GLY 87 11.203 8.230 6.066 585 H GLY 88 H GLY 88 10.367 4.930 6.941 586 HA2 GLY 88 1HA GLY 88 10.329 3.874 9.001 587 HA3 GLY 88 2HA GLY 88 11.261 5.209 9.663 588 H GLU 89 H GLU 89 8.612 6.411 8.028 589 HA GLU 89 HA GLU 89 6.981 6.444 10.480 590 HB2 GLU 89 1HB GLU 89 7.306 8.745 8.549 591 HB3 GLU 89 2HB GLU 89 6.380 8.751 10.043 592 HG2 GLU 89 1HG GLU 89 8.726 8.103 11.073 593 HG3 GLU 89 2HG GLU 89 9.308 8.917 9.622 594 H LEU 90 H LEU 90 4.803 6.195 10.246 595 HA LEU 90 HA LEU 90 3.857 4.987 7.858 596 HB2 LEU 90 1HB LEU 90 2.708 5.734 10.487 597 HB3 LEU 90 2HB LEU 90 1.581 5.479 9.156 598 HG LEU 90 HG LEU 90 3.596 3.441 10.098 599 HD11 LEU 90 1HD1 LEU 90 0.637 3.605 10.655 600 HD12 LEU 90 2HD1 LEU 90 1.922 3.907 11.825 601 HD13 LEU 90 3HD1 LEU 90 1.720 2.297 11.133 602 HD21 LEU 90 1HD2 LEU 90 1.288 2.465 8.672 603 HD22 LEU 90 2HD2 LEU 90 3.003 2.219 8.340 604 HD23 LEU 90 3HD2 LEU 90 2.177 3.643 7.707 605 H VAL 91 H VAL 91 2.283 5.719 6.395 606 HA VAL 91 HA VAL 91 2.303 8.615 6.014 607 HB VAL 91 HB VAL 91 1.020 7.778 3.834 608 HG11 VAL 91 1HG1 VAL 91 3.079 9.026 3.793 609 HG12 VAL 91 2HG1 VAL 91 3.994 7.606 4.300 610 HG13 VAL 91 3HG1 VAL 91 3.225 7.640 2.713 611 HG21 VAL 91 1HG2 VAL 91 1.605 5.623 3.109 612 HG22 VAL 91 2HG2 VAL 91 2.804 5.424 4.387 613 HG23 VAL 91 3HG2 VAL 91 1.085 5.408 4.780 614 HA PRO 92 HA PRO 92 -1.882 9.322 7.128 615 HB2 PRO 92 1HB PRO 92 -2.705 11.081 5.231 616 HB3 PRO 92 2HB PRO 92 -1.575 11.516 6.519 617 HG2 PRO 92 1HG PRO 92 -1.011 10.784 3.672 618 HG3 PRO 92 2HG PRO 92 -0.302 12.077 4.656 619 HD2 PRO 92 1HD PRO 92 0.965 9.726 4.208 620 HD3 PRO 92 2HD PRO 92 1.157 10.642 5.717 621 H HIS 93 H HIS 93 -1.110 7.504 4.502 622 HA HIS 93 HA HIS 93 -3.939 7.018 3.831 623 HB2 HIS 93 1HB HIS 93 -1.481 6.874 2.088 624 HB3 HIS 93 2HB HIS 93 -3.007 6.119 1.634 625 HD1 HIS 93 1HD HIS 93 -3.739 7.585 -0.252 626 HD2 HIS 93 2HD HIS 93 -2.637 9.762 3.111 627 HE1 HIS 93 1HE HIS 93 -4.362 9.968 -0.759 628 HE2 HIS 93 2HE HIS 93 -3.608 11.279 1.255 629 H PHE 94 H PHE 94 -1.971 5.839 5.855 630 HA PHE 94 HA PHE 94 -2.808 3.107 5.487 631 HB2 PHE 94 1HB PHE 94 0.136 3.802 5.481 632 HB3 PHE 94 2HB PHE 94 -0.509 2.173 5.655 633 HD1 PHE 94 2HD PHE 94 -0.327 5.066 3.354 634 HD2 PHE 94 1HD PHE 94 -1.092 0.901 3.779 635 HE1 PHE 94 2HE PHE 94 -0.363 4.827 0.906 636 HE2 PHE 94 1HE PHE 94 -1.129 0.655 1.331 637 HZ PHE 94 HZ PHE 94 -0.766 2.619 -0.109 638 HA PRO 95 HA PRO 95 -1.979 1.105 6.439 639 HB2 PRO 95 1HB PRO 95 -3.598 -0.368 8.045 640 HB3 PRO 95 2HB PRO 95 -1.853 -0.245 8.294 641 HG2 PRO 95 1HG PRO 95 -4.070 1.218 9.673 642 HG3 PRO 95 2HG PRO 95 -2.611 0.488 10.366 643 HD2 PRO 95 1HD PRO 95 -2.826 3.146 9.892 644 HD3 PRO 95 2HD PRO 95 -1.283 2.277 9.773 645 H ALA 96 H ALA 96 -3.626 0.196 5.152 646 HA ALA 96 HA ALA 96 -6.294 1.398 5.381 647 HB1 ALA 96 1HB ALA 96 -4.682 2.532 3.668 648 HB2 ALA 96 2HB ALA 96 -5.077 1.131 2.670 649 HB3 ALA 96 3HB ALA 96 -6.359 2.206 3.228 650 H ARG 97 H ARG 97 -7.624 -0.267 5.651 651 HA ARG 97 HA ARG 97 -7.007 -2.906 4.739 652 HB2 ARG 97 1HB ARG 97 -9.115 -3.550 5.727 653 HB3 ARG 97 2HB ARG 97 -8.288 -2.444 6.815 654 HG2 ARG 97 1HG ARG 97 -10.353 -1.532 6.913 655 HG3 ARG 97 2HG ARG 97 -9.760 -0.669 5.492 656 HD2 ARG 97 1HD ARG 97 -10.893 -2.153 4.019 657 HD3 ARG 97 2HD ARG 97 -11.275 -3.265 5.333 658 HE ARG 97 HE ARG 97 -13.042 -1.917 5.932 659 HH11 ARG 97 1HH1 ARG 97 -11.042 -0.280 3.600 660 HH12 ARG 97 2HH1 ARG 97 -12.177 1.002 3.333 661 HH21 ARG 97 1HH2 ARG 97 -14.544 -0.235 5.589 662 HH22 ARG 97 2HH2 ARG 97 -14.168 1.027 4.465 663 H VAL 98 H VAL 98 -7.822 -4.036 3.033 664 HA VAL 98 HA VAL 98 -9.805 -2.741 1.308 665 HB VAL 98 HB VAL 98 -7.237 -3.906 0.226 666 HG11 VAL 98 1HG1 VAL 98 -8.916 -4.173 -1.396 667 HG12 VAL 98 2HG1 VAL 98 -9.625 -2.596 -1.043 668 HG13 VAL 98 3HG1 VAL 98 -8.065 -2.699 -1.859 669 HG21 VAL 98 1HG2 VAL 98 -6.261 -1.955 0.644 670 HG22 VAL 98 2HG2 VAL 98 -7.448 -1.166 -0.394 671 HG23 VAL 98 3HG2 VAL 98 -7.753 -1.319 1.336 672 H LYS 99 H LYS 99 -11.093 -4.139 0.143 673 HA LYS 99 HA LYS 99 -10.973 -6.931 0.997 674 HB2 LYS 99 1HB LYS 99 -13.075 -5.334 1.006 675 HB3 LYS 99 2HB LYS 99 -13.195 -5.835 -0.675 676 HG2 LYS 99 1HG LYS 99 -13.275 -8.179 0.039 677 HG3 LYS 99 2HG LYS 99 -13.190 -7.657 1.723 678 HD2 LYS 99 1HD LYS 99 -15.329 -6.588 -0.077 679 HD3 LYS 99 2HD LYS 99 -15.502 -8.187 0.653 680 HE2 LYS 99 1HE LYS 99 -15.057 -7.094 2.877 681 HE3 LYS 99 2HE LYS 99 -15.187 -5.540 2.056 682 HZ1 LYS 99 1HZ LYS 99 -17.423 -5.845 1.651 683 HZ2 LYS 99 2HZ LYS 99 -17.256 -6.534 3.187 684 HZ3 LYS 99 3HZ LYS 99 -17.350 -7.526 1.820 685 H VAL 100 H VAL 100 -10.129 -8.431 -0.277 686 HA VAL 100 HA VAL 100 -9.854 -7.859 -3.147 687 HB VAL 100 HB VAL 100 -8.385 -9.876 -1.442 688 HG11 VAL 100 1HG1 VAL 100 -7.264 -10.615 -3.296 689 HG12 VAL 100 2HG1 VAL 100 -8.840 -10.266 -4.009 690 HG13 VAL 100 3HG1 VAL 100 -7.517 -9.113 -4.185 691 HG21 VAL 100 1HG2 VAL 100 -7.742 -7.119 -2.389 692 HG22 VAL 100 2HG2 VAL 100 -7.462 -7.859 -0.813 693 HG23 VAL 100 3HG2 VAL 100 -6.443 -8.294 -2.184 694 H GLU 101 H GLU 101 -11.233 -8.823 -4.471 695 HA GLU 101 HA GLU 101 -12.914 -10.975 -3.590 696 HB2 GLU 101 1HB GLU 101 -12.651 -9.366 -6.097 697 HB3 GLU 101 2HB GLU 101 -13.550 -10.875 -6.144 698 HG2 GLU 101 1HG GLU 101 -14.848 -9.941 -4.144 699 HG3 GLU 101 2HG GLU 101 -14.144 -8.388 -4.590 700 HA PRO 102 HA PRO 102 -10.542 -14.421 -4.931 701 HB2 PRO 102 1HB PRO 102 -12.529 -16.179 -5.504 702 HB3 PRO 102 2HB PRO 102 -12.090 -15.732 -3.852 703 HG2 PRO 102 1HG PRO 102 -14.331 -14.717 -5.556 704 HG3 PRO 102 2HG PRO 102 -14.344 -15.163 -3.840 705 HD2 PRO 102 1HD PRO 102 -14.200 -12.591 -4.676 706 HD3 PRO 102 2HD PRO 102 -13.424 -13.154 -3.182 707 H ALA 103 H ALA 103 -9.783 -15.419 -6.774 708 HA ALA 103 HA ALA 103 -10.827 -14.360 -9.298 709 HB1 ALA 103 1HB ALA 103 -8.373 -14.172 -8.610 710 HB2 ALA 103 2HB ALA 103 -8.267 -15.893 -8.981 711 HB3 ALA 103 3HB ALA 103 -8.721 -14.746 -10.241 712 H VAL 104 H VAL 104 -12.425 -16.308 -8.179 713 HA VAL 104 HA VAL 104 -11.784 -18.789 -9.603 714 HB VAL 104 HB VAL 104 -14.010 -18.258 -7.630 715 HG11 VAL 104 1HG1 VAL 104 -13.648 -20.919 -7.593 716 HG12 VAL 104 2HG1 VAL 104 -14.809 -20.112 -8.650 717 HG13 VAL 104 3HG1 VAL 104 -13.227 -20.583 -9.272 718 HG21 VAL 104 1HG2 VAL 104 -11.618 -19.936 -7.026 719 HG22 VAL 104 2HG2 VAL 104 -11.503 -18.182 -6.883 720 HG23 VAL 104 3HG2 VAL 104 -12.690 -19.068 -5.927 721 H ASP 105 H ASP 105 -12.376 -16.814 -11.344 722 HA ASP 105 HA ASP 105 -13.797 -16.114 -12.992 723 HB2 ASP 105 1HB ASP 105 -14.231 -19.045 -12.694 724 HB3 ASP 105 2HB ASP 105 -15.339 -18.158 -13.738 725 H THR 106 H THR 106 -14.702 -15.449 -10.407 726 HA THR 106 HA THR 106 -17.624 -15.648 -10.750 727 HB THR 106 HB THR 106 -16.991 -16.808 -8.729 728 HG1 THR 106 1HG THR 106 -18.769 -15.039 -8.814 729 HG21 THR 106 1HG2 THR 106 -15.293 -16.186 -7.422 730 HG22 THR 106 2HG2 THR 106 -16.001 -14.590 -7.171 731 HG23 THR 106 3HG2 THR 106 -14.965 -14.887 -8.568 732 H SER 107 H SER 107 -17.606 -13.761 -12.072 733 HA SER 107 HA SER 107 -17.841 -11.332 -10.553 734 HB2 SER 107 1HB SER 107 -15.337 -11.649 -11.233 735 HB3 SER 107 2HB SER 107 -15.897 -11.175 -12.837 736 HG SER 107 HG SER 107 -15.859 -9.690 -10.450 737 H SER 108 H SER 108 -19.333 -10.024 -11.436 738 HA SER 108 HA SER 108 -20.026 -10.390 -14.268 739 HB2 SER 108 1HB SER 108 -21.814 -10.660 -11.884 740 HB3 SER 108 2HB SER 108 -22.479 -9.990 -13.374 741 HG SER 108 HG SER 108 -21.654 -12.567 -12.796 742 H GLY 109 H GLY 109 -21.005 -8.580 -15.276 743 HA2 GLY 109 1HA GLY 109 -21.666 -6.345 -15.456 744 HA3 GLY 109 2HA GLY 109 -21.264 -6.113 -13.761 745 HA PRO 110 HA PRO 110 -17.329 -5.578 -16.601 746 HB2 PRO 110 1HB PRO 110 -17.948 -4.389 -18.962 747 HB3 PRO 110 2HB PRO 110 -17.858 -6.143 -18.765 748 HG2 PRO 110 1HG PRO 110 -20.263 -4.360 -18.782 749 HG3 PRO 110 2HG PRO 110 -20.033 -5.936 -19.561 750 HD2 PRO 110 1HD PRO 110 -21.379 -5.646 -17.230 751 HD3 PRO 110 2HD PRO 110 -20.433 -7.099 -17.612 752 H SER 111 H SER 111 -19.795 -3.695 -15.508 753 HA SER 111 HA SER 111 -19.282 -1.100 -16.283 754 HB2 SER 111 1HB SER 111 -19.990 -1.972 -13.472 755 HB3 SER 111 2HB SER 111 -20.302 -0.396 -14.198 756 HG SER 111 HG SER 111 -22.071 -1.193 -14.975 757 H SER 112 H SER 112 -17.887 0.509 -15.664 758 HA SER 112 HA SER 112 -15.483 -0.392 -14.242 759 HB2 SER 112 1HB SER 112 -15.150 0.494 -16.521 760 HB3 SER 112 2HB SER 112 -15.876 2.023 -16.028 761 HG SER 112 HG SER 112 -14.111 2.533 -14.943 762 H GLY 113 H GLY 113 -17.664 2.416 -14.460 763 HA2 GLY 113 1HA GLY 113 -18.286 2.920 -11.932 764 HA3 GLY 113 2HA GLY 113 -16.611 3.450 -11.943 Start of MODEL 20 1 H1 GLY 1 H GLY 1 19.658 10.685 -2.179 2 HA2 GLY 1 1HA GLY 1 22.456 10.100 -1.696 3 HA3 GLY 1 2HA GLY 1 21.814 11.471 -2.588 4 H SER 2 H SER 2 23.908 11.432 -0.567 5 HA SER 2 HA SER 2 22.744 12.661 1.783 6 HB2 SER 2 1HB SER 2 25.536 11.933 0.942 7 HB3 SER 2 2HB SER 2 25.270 13.007 2.316 8 HG SER 2 HG SER 2 23.790 10.651 2.238 9 H SER 3 H SER 3 21.740 14.475 0.757 10 HA SER 3 HA SER 3 23.547 16.737 0.528 11 HB2 SER 3 1HB SER 3 23.427 15.966 -1.783 12 HB3 SER 3 2HB SER 3 21.665 15.961 -1.714 13 HG SER 3 HG SER 3 21.859 18.268 -1.255 14 H GLY 4 H GLY 4 22.722 18.340 1.690 15 HA2 GLY 4 1HA GLY 4 19.982 18.233 2.589 16 HA3 GLY 4 2HA GLY 4 21.189 19.422 3.055 17 H SER 5 H SER 5 18.350 19.700 2.199 18 HA SER 5 HA SER 5 18.705 22.002 0.550 19 HB2 SER 5 1HB SER 5 18.813 20.208 -1.169 20 HB3 SER 5 2HB SER 5 17.208 19.671 -0.673 21 HG SER 5 HG SER 5 16.730 21.029 -2.263 22 H SER 6 H SER 6 16.581 23.043 0.035 23 HA SER 6 HA SER 6 15.044 23.406 2.288 24 HB2 SER 6 1HB SER 6 13.381 24.483 0.814 25 HB3 SER 6 2HB SER 6 15.025 24.967 0.399 26 HG SER 6 HG SER 6 14.968 23.546 -1.338 27 H GLY 7 H GLY 7 12.535 23.070 2.262 28 HA2 GLY 7 1HA GLY 7 10.809 21.583 2.539 29 HA3 GLY 7 2HA GLY 7 11.385 20.819 1.066 30 HA PRO 8 HA PRO 8 13.315 18.659 4.993 31 HB2 PRO 8 1HB PRO 8 11.631 18.682 7.122 32 HB3 PRO 8 2HB PRO 8 12.877 19.910 6.869 33 HG2 PRO 8 1HG PRO 8 9.947 20.030 6.264 34 HG3 PRO 8 2HG PRO 8 10.990 21.265 6.994 35 HD2 PRO 8 1HD PRO 8 10.264 21.328 4.386 36 HD3 PRO 8 2HD PRO 8 11.830 21.940 4.957 37 H PHE 9 H PHE 9 12.739 16.555 5.933 38 HA PHE 9 HA PHE 9 11.056 15.070 4.212 39 HB2 PHE 9 1HB PHE 9 12.730 13.735 5.039 40 HB3 PHE 9 2HB PHE 9 12.688 14.484 6.631 41 HD1 PHE 9 1HD PHE 9 11.205 11.938 4.462 42 HD2 PHE 9 2HD PHE 9 11.188 13.694 8.339 43 HE1 PHE 9 1HE PHE 9 9.895 10.037 5.314 44 HE2 PHE 9 2HE PHE 9 9.879 11.796 9.197 45 HZ PHE 9 HZ PHE 9 9.232 9.963 7.684 46 H ASP 10 H ASP 10 9.080 14.074 4.582 47 HA ASP 10 HA ASP 10 7.664 14.245 7.035 48 HB2 ASP 10 1HB ASP 10 7.208 16.362 4.984 49 HB3 ASP 10 2HB ASP 10 5.806 15.723 5.839 50 HA PRO 11 HA PRO 11 5.957 10.864 4.657 51 HB2 PRO 11 1HB PRO 11 4.587 9.768 6.729 52 HB3 PRO 11 2HB PRO 11 6.329 9.562 6.513 53 HG2 PRO 11 1HG PRO 11 4.853 11.456 8.300 54 HG3 PRO 11 2HG PRO 11 6.291 10.479 8.649 55 HD2 PRO 11 1HD PRO 11 6.432 13.116 8.049 56 HD3 PRO 11 2HD PRO 11 7.709 11.966 7.605 57 H SER 12 H SER 12 4.117 13.018 6.768 58 HA SER 12 HA SER 12 1.541 12.309 5.911 59 HB2 SER 12 1HB SER 12 2.154 13.738 7.919 60 HB3 SER 12 2HB SER 12 2.374 15.077 6.793 61 HG SER 12 HG SER 12 0.035 13.783 7.596 62 H LYS 13 H LYS 13 4.021 14.159 4.400 63 HA LYS 13 HA LYS 13 2.305 15.588 2.596 64 HB2 LYS 13 1HB LYS 13 5.287 15.119 2.644 65 HB3 LYS 13 2HB LYS 13 4.484 16.078 1.407 66 HG2 LYS 13 1HG LYS 13 4.229 16.688 4.336 67 HG3 LYS 13 2HG LYS 13 5.525 17.343 3.332 68 HD2 LYS 13 1HD LYS 13 4.040 18.584 2.021 69 HD3 LYS 13 2HD LYS 13 2.646 17.631 2.536 70 HE2 LYS 13 1HE LYS 13 2.462 19.696 3.659 71 HE3 LYS 13 2HE LYS 13 3.052 18.549 4.861 72 HZ1 LYS 13 1HZ LYS 13 4.226 20.954 4.030 73 HZ2 LYS 13 2HZ LYS 13 5.265 19.692 3.596 74 HZ3 LYS 13 3HZ LYS 13 4.777 19.869 5.206 75 H VAL 14 H VAL 14 3.664 12.445 2.714 76 HA VAL 14 HA VAL 14 3.747 11.920 -0.085 77 HB VAL 14 HB VAL 14 3.513 9.953 2.196 78 HG11 VAL 14 1HG1 VAL 14 2.984 9.250 -0.240 79 HG12 VAL 14 2HG1 VAL 14 4.728 9.383 -0.479 80 HG13 VAL 14 3HG1 VAL 14 4.084 8.260 0.719 81 HG21 VAL 14 1HG2 VAL 14 5.467 11.421 2.412 82 HG22 VAL 14 2HG2 VAL 14 5.935 9.759 2.055 83 HG23 VAL 14 3HG2 VAL 14 5.973 10.978 0.781 84 H VAL 15 H VAL 15 2.153 11.417 -1.442 85 HA VAL 15 HA VAL 15 -0.491 10.782 -0.304 86 HB VAL 15 HB VAL 15 0.137 12.096 -2.952 87 HG11 VAL 15 1HG1 VAL 15 -1.865 11.261 -3.517 88 HG12 VAL 15 2HG1 VAL 15 -2.284 10.876 -1.847 89 HG13 VAL 15 3HG1 VAL 15 -2.513 12.514 -2.459 90 HG21 VAL 15 1HG2 VAL 15 -1.287 13.932 -1.661 91 HG22 VAL 15 2HG2 VAL 15 -0.554 13.144 -0.263 92 HG23 VAL 15 3HG2 VAL 15 0.468 13.837 -1.522 93 H ALA 16 H ALA 16 -1.209 8.794 -0.651 94 HA ALA 16 HA ALA 16 -0.151 7.298 -2.961 95 HB1 ALA 16 1HB ALA 16 0.316 6.599 -0.450 96 HB2 ALA 16 2HB ALA 16 -1.269 5.844 -0.627 97 HB3 ALA 16 3HB ALA 16 0.046 5.401 -1.716 98 H SER 17 H SER 17 -1.574 6.670 -4.444 99 HA SER 17 HA SER 17 -4.362 6.223 -3.689 100 HB2 SER 17 1HB SER 17 -3.433 8.177 -5.795 101 HB3 SER 17 2HB SER 17 -5.069 7.519 -5.764 102 HG SER 17 HG SER 17 -4.279 9.607 -4.497 103 H GLY 18 H GLY 18 -5.594 5.446 -5.775 104 HA2 GLY 18 1HA GLY 18 -4.946 4.333 -7.992 105 HA3 GLY 18 2HA GLY 18 -3.882 3.370 -6.978 106 HA PRO 19 HA PRO 19 -8.248 1.530 -7.342 107 HB2 PRO 19 1HB PRO 19 -7.645 -0.551 -8.979 108 HB3 PRO 19 2HB PRO 19 -8.169 1.026 -9.583 109 HG2 PRO 19 1HG PRO 19 -5.402 -0.096 -9.367 110 HG3 PRO 19 2HG PRO 19 -6.137 0.820 -10.695 111 HD2 PRO 19 1HD PRO 19 -4.475 1.959 -8.885 112 HD3 PRO 19 2HD PRO 19 -5.812 2.846 -9.645 113 H GLY 20 H GLY 20 -5.019 0.411 -6.740 114 HA2 GLY 20 1HA GLY 20 -5.701 -2.135 -5.653 115 HA3 GLY 20 2HA GLY 20 -4.176 -1.289 -5.436 116 H LEU 21 H LEU 21 -5.572 1.095 -4.345 117 HA LEU 21 HA LEU 21 -5.675 0.177 -1.601 118 HB2 LEU 21 1HB LEU 21 -5.515 2.801 -2.981 119 HB3 LEU 21 2HB LEU 21 -6.199 2.770 -1.357 120 HG LEU 21 HG LEU 21 -3.534 1.513 -1.874 121 HD11 LEU 21 1HD1 LEU 21 -4.170 4.314 -2.208 122 HD12 LEU 21 2HD1 LEU 21 -2.665 3.452 -2.523 123 HD13 LEU 21 3HD1 LEU 21 -3.011 4.058 -0.903 124 HD21 LEU 21 1HD2 LEU 21 -4.957 1.418 0.304 125 HD22 LEU 21 2HD2 LEU 21 -4.373 3.065 0.538 126 HD23 LEU 21 3HD2 LEU 21 -3.225 1.733 0.401 127 H GLU 22 H GLU 22 -7.881 0.447 -4.062 128 HA GLU 22 HA GLU 22 -10.109 1.077 -2.254 129 HB2 GLU 22 1HB GLU 22 -10.212 0.844 -5.262 130 HB3 GLU 22 2HB GLU 22 -11.431 1.535 -4.201 131 HG2 GLU 22 1HG GLU 22 -9.570 3.206 -3.548 132 HG3 GLU 22 2HG GLU 22 -8.798 2.667 -5.038 133 H HIS 23 H HIS 23 -8.829 -1.374 -4.416 134 HA HIS 23 HA HIS 23 -10.162 -3.472 -3.059 135 HB2 HIS 23 1HB HIS 23 -11.694 -4.220 -4.773 136 HB3 HIS 23 2HB HIS 23 -12.080 -2.552 -4.359 137 HD1 HIS 23 1HD HIS 23 -10.705 -4.663 -7.126 138 HD2 HIS 23 2HD HIS 23 -11.701 -0.694 -6.409 139 HE1 HIS 23 1HE HIS 23 -10.657 -3.541 -9.376 140 HE2 HIS 23 2HE HIS 23 -11.180 -1.122 -8.906 141 H GLY 24 H GLY 24 -9.826 -5.608 -4.201 142 HA2 GLY 24 1HA GLY 24 -7.742 -5.621 -6.225 143 HA3 GLY 24 2HA GLY 24 -7.261 -6.228 -4.647 144 H LYS 25 H LYS 25 -6.999 -7.951 -6.640 145 HA LYS 25 HA LYS 25 -9.148 -9.877 -6.129 146 HB2 LYS 25 1HB LYS 25 -9.317 -8.641 -8.415 147 HB3 LYS 25 2HB LYS 25 -7.963 -9.664 -8.879 148 HG2 LYS 25 1HG LYS 25 -9.363 -11.639 -8.200 149 HG3 LYS 25 2HG LYS 25 -10.722 -10.522 -8.050 150 HD2 LYS 25 1HD LYS 25 -10.056 -9.819 -10.469 151 HD3 LYS 25 2HD LYS 25 -9.226 -11.377 -10.497 152 HE2 LYS 25 1HE LYS 25 -11.549 -12.225 -9.562 153 HE3 LYS 25 2HE LYS 25 -12.136 -10.767 -10.360 154 HZ1 LYS 25 1HZ LYS 25 -12.286 -12.293 -12.038 155 HZ2 LYS 25 2HZ LYS 25 -10.928 -13.168 -11.538 156 HZ3 LYS 25 3HZ LYS 25 -10.734 -11.687 -12.331 157 H VAL 26 H VAL 26 -8.485 -11.972 -5.920 158 HA VAL 26 HA VAL 26 -5.894 -12.549 -5.153 159 HB VAL 26 HB VAL 26 -7.933 -14.464 -6.295 160 HG11 VAL 26 1HG1 VAL 26 -6.132 -15.832 -6.311 161 HG12 VAL 26 2HG1 VAL 26 -5.238 -14.848 -5.151 162 HG13 VAL 26 3HG1 VAL 26 -6.493 -15.953 -4.589 163 HG21 VAL 26 1HG2 VAL 26 -7.382 -13.482 -3.506 164 HG22 VAL 26 2HG2 VAL 26 -8.892 -13.401 -4.414 165 HG23 VAL 26 3HG2 VAL 26 -8.293 -14.956 -3.835 166 H GLY 27 H GLY 27 -4.138 -12.252 -6.378 167 HA2 GLY 27 1HA GLY 27 -2.677 -13.258 -8.010 168 HA3 GLY 27 2HA GLY 27 -4.086 -13.563 -9.015 169 H GLU 28 H GLU 28 -5.140 -10.836 -8.481 170 HA GLU 28 HA GLU 28 -3.963 -9.542 -10.710 171 HB2 GLU 28 1HB GLU 28 -6.060 -8.870 -8.711 172 HB3 GLU 28 2HB GLU 28 -5.342 -7.538 -9.606 173 HG2 GLU 28 1HG GLU 28 -6.616 -9.959 -10.858 174 HG3 GLU 28 2HG GLU 28 -7.410 -8.402 -10.626 175 H ALA 29 H ALA 29 -3.535 -6.989 -10.272 176 HA ALA 29 HA ALA 29 -1.504 -6.829 -8.144 177 HB1 ALA 29 1HB ALA 29 -0.937 -5.242 -10.539 178 HB2 ALA 29 2HB ALA 29 0.135 -6.240 -9.555 179 HB3 ALA 29 3HB ALA 29 -0.880 -6.987 -10.789 180 H GLY 30 H GLY 30 -2.035 -5.299 -6.736 181 HA2 GLY 30 1HA GLY 30 -4.000 -3.303 -7.319 182 HA3 GLY 30 2HA GLY 30 -3.075 -3.450 -5.832 183 H LEU 31 H LEU 31 -3.410 -1.812 -8.817 184 HA LEU 31 HA LEU 31 -0.828 -0.682 -9.029 185 HB2 LEU 31 1HB LEU 31 -3.489 0.349 -10.001 186 HB3 LEU 31 2HB LEU 31 -1.920 0.993 -10.480 187 HG LEU 31 HG LEU 31 -2.815 -1.835 -11.020 188 HD11 LEU 31 1HD1 LEU 31 -3.782 0.497 -12.209 189 HD12 LEU 31 2HD1 LEU 31 -3.942 -1.155 -12.805 190 HD13 LEU 31 3HD1 LEU 31 -2.595 -0.150 -13.342 191 HD21 LEU 31 1HD2 LEU 31 -0.561 -1.972 -11.247 192 HD22 LEU 31 2HD2 LEU 31 -0.374 -0.248 -11.564 193 HD23 LEU 31 3HD2 LEU 31 -0.940 -1.323 -12.843 194 H LEU 32 H LEU 32 0.125 0.690 -7.692 195 HA LEU 32 HA LEU 32 -1.533 2.671 -6.282 196 HB2 LEU 32 1HB LEU 32 0.881 1.281 -5.136 197 HB3 LEU 32 2HB LEU 32 -0.155 2.448 -4.316 198 HG LEU 32 HG LEU 32 -0.975 -0.322 -5.191 199 HD11 LEU 32 1HD1 LEU 32 -1.195 -0.449 -2.578 200 HD12 LEU 32 2HD1 LEU 32 0.040 0.809 -2.631 201 HD13 LEU 32 3HD1 LEU 32 0.347 -0.760 -3.375 202 HD21 LEU 32 1HD2 LEU 32 -3.005 0.130 -3.893 203 HD22 LEU 32 2HD2 LEU 32 -2.835 1.242 -5.251 204 HD23 LEU 32 3HD2 LEU 32 -2.454 1.782 -3.615 205 H SER 33 H SER 33 -0.740 4.725 -6.166 206 HA SER 33 HA SER 33 1.900 5.208 -7.380 207 HB2 SER 33 1HB SER 33 -0.742 6.495 -7.962 208 HB3 SER 33 2HB SER 33 0.735 7.443 -8.134 209 HG SER 33 HG SER 33 -0.244 5.900 -9.926 210 H VAL 34 H VAL 34 3.235 6.492 -6.262 211 HA VAL 34 HA VAL 34 2.114 8.004 -3.992 212 HB VAL 34 HB VAL 34 4.825 6.676 -4.123 213 HG11 VAL 34 1HG1 VAL 34 4.740 7.247 -1.622 214 HG12 VAL 34 2HG1 VAL 34 5.088 8.553 -2.756 215 HG13 VAL 34 3HG1 VAL 34 3.473 8.390 -2.065 216 HG21 VAL 34 1HG2 VAL 34 3.151 5.741 -2.001 217 HG22 VAL 34 2HG2 VAL 34 2.300 5.570 -3.536 218 HG23 VAL 34 3HG2 VAL 34 3.886 4.830 -3.320 219 H ASP 35 H ASP 35 2.140 10.086 -4.555 220 HA ASP 35 HA ASP 35 4.303 11.136 -6.202 221 HB2 ASP 35 1HB ASP 35 1.710 11.655 -6.364 222 HB3 ASP 35 2HB ASP 35 2.110 12.867 -5.150 223 H CYS 36 H CYS 36 6.090 11.797 -5.221 224 HA CYS 36 HA CYS 36 5.906 12.891 -2.503 225 HB2 CYS 36 1HB CYS 36 7.474 11.171 -2.445 226 HB3 CYS 36 2HB CYS 36 8.095 11.547 -4.048 227 HG CYS 36 HG CYS 36 8.590 13.983 -1.810 228 H SER 37 H SER 37 5.746 15.030 -2.439 229 HA SER 37 HA SER 37 7.282 16.612 -4.393 230 HB2 SER 37 1HB SER 37 4.571 16.961 -3.212 231 HB3 SER 37 2HB SER 37 5.514 18.419 -3.525 232 HG SER 37 HG SER 37 4.109 17.540 -5.280 233 H GLU 38 H GLU 38 5.997 16.790 -1.071 234 HA GLU 38 HA GLU 38 8.408 18.313 -0.329 235 HB2 GLU 38 1HB GLU 38 5.554 18.562 0.553 236 HB3 GLU 38 2HB GLU 38 6.849 19.062 1.632 237 HG2 GLU 38 1HG GLU 38 6.731 20.079 -1.176 238 HG3 GLU 38 2HG GLU 38 5.747 20.808 0.092 239 H ALA 39 H ALA 39 7.561 15.331 -0.297 240 HA ALA 39 HA ALA 39 7.581 14.614 2.477 241 HB1 ALA 39 1HB ALA 39 6.562 13.284 0.558 242 HB2 ALA 39 2HB ALA 39 8.208 12.760 0.199 243 HB3 ALA 39 3HB ALA 39 7.484 12.381 1.762 244 H GLY 40 H GLY 40 9.949 15.801 0.512 245 HA2 GLY 40 1HA GLY 40 12.244 15.826 0.595 246 HA3 GLY 40 2HA GLY 40 12.037 15.457 2.301 247 HA PRO 41 HA PRO 41 14.402 11.945 0.532 248 HB2 PRO 41 1HB PRO 41 15.923 11.579 2.751 249 HB3 PRO 41 2HB PRO 41 16.325 12.756 1.495 250 HG2 PRO 41 1HG PRO 41 14.978 13.187 4.133 251 HG3 PRO 41 2HG PRO 41 16.239 14.156 3.349 252 HD2 PRO 41 1HD PRO 41 13.625 14.859 3.308 253 HD3 PRO 41 2HD PRO 41 14.734 15.229 1.972 254 H GLY 42 H GLY 42 15.054 9.849 2.000 255 HA2 GLY 42 1HA GLY 42 14.208 8.426 3.798 256 HA3 GLY 42 2HA GLY 42 12.618 9.110 3.497 257 H ALA 43 H ALA 43 13.651 6.301 3.475 258 HA ALA 43 HA ALA 43 13.322 5.516 0.692 259 HB1 ALA 43 1HB ALA 43 14.002 3.349 1.351 260 HB2 ALA 43 2HB ALA 43 15.029 4.478 2.236 261 HB3 ALA 43 3HB ALA 43 13.681 3.686 3.052 262 H LEU 44 H LEU 44 11.636 4.284 -0.103 263 HA LEU 44 HA LEU 44 9.203 4.319 1.538 264 HB2 LEU 44 1HB LEU 44 9.044 5.488 -0.574 265 HB3 LEU 44 2HB LEU 44 9.590 4.054 -1.440 266 HG LEU 44 HG LEU 44 7.509 2.898 -0.741 267 HD11 LEU 44 1HD1 LEU 44 7.307 4.880 1.131 268 HD12 LEU 44 2HD1 LEU 44 6.013 3.777 0.666 269 HD13 LEU 44 3HD1 LEU 44 6.116 5.375 -0.073 270 HD21 LEU 44 1HD2 LEU 44 6.437 5.290 -2.045 271 HD22 LEU 44 2HD2 LEU 44 6.483 3.617 -2.600 272 HD23 LEU 44 3HD2 LEU 44 7.900 4.650 -2.793 273 H GLY 45 H GLY 45 7.859 2.493 1.695 274 HA2 GLY 45 1HA GLY 45 8.536 -0.008 0.490 275 HA3 GLY 45 2HA GLY 45 9.061 0.061 2.166 276 H LEU 46 H LEU 46 6.906 -1.465 0.639 277 HA LEU 46 HA LEU 46 4.693 -0.805 2.470 278 HB2 LEU 46 1HB LEU 46 4.091 -0.258 0.186 279 HB3 LEU 46 2HB LEU 46 4.547 -1.876 -0.345 280 HG LEU 46 HG LEU 46 2.678 -2.562 1.417 281 HD11 LEU 46 1HD1 LEU 46 0.781 -0.923 1.149 282 HD12 LEU 46 2HD1 LEU 46 1.978 0.243 0.589 283 HD13 LEU 46 3HD1 LEU 46 2.088 -0.417 2.220 284 HD21 LEU 46 1HD2 LEU 46 2.552 -1.818 -1.457 285 HD22 LEU 46 2HD2 LEU 46 1.042 -2.193 -0.627 286 HD23 LEU 46 3HD2 LEU 46 2.338 -3.388 -0.682 287 H GLU 47 H GLU 47 3.470 -2.558 3.292 288 HA GLU 47 HA GLU 47 4.678 -5.216 2.950 289 HB2 GLU 47 1HB GLU 47 5.482 -4.114 5.056 290 HB3 GLU 47 2HB GLU 47 3.815 -4.080 5.613 291 HG2 GLU 47 1HG GLU 47 3.710 -6.482 5.604 292 HG3 GLU 47 2HG GLU 47 5.321 -6.584 4.896 293 H ALA 48 H ALA 48 3.114 -6.333 1.971 294 HA ALA 48 HA ALA 48 0.321 -5.877 2.649 295 HB1 ALA 48 1HB ALA 48 1.081 -6.121 0.284 296 HB2 ALA 48 2HB ALA 48 1.449 -7.810 0.632 297 HB3 ALA 48 3HB ALA 48 -0.211 -7.226 0.751 298 H VAL 49 H VAL 49 -0.739 -7.047 4.101 299 HA VAL 49 HA VAL 49 -0.005 -9.841 4.538 300 HB VAL 49 HB VAL 49 -0.155 -7.796 6.756 301 HG11 VAL 49 1HG1 VAL 49 0.178 -9.635 8.301 302 HG12 VAL 49 2HG1 VAL 49 -1.293 -9.894 7.361 303 HG13 VAL 49 3HG1 VAL 49 0.176 -10.787 6.966 304 HG21 VAL 49 1HG2 VAL 49 2.025 -7.626 6.234 305 HG22 VAL 49 2HG2 VAL 49 2.167 -9.162 7.090 306 HG23 VAL 49 3HG2 VAL 49 2.033 -9.142 5.332 307 H SER 50 H SER 50 -1.737 -11.113 4.781 308 HA SER 50 HA SER 50 -4.364 -9.874 4.798 309 HB2 SER 50 1HB SER 50 -3.691 -11.796 3.262 310 HB3 SER 50 2HB SER 50 -3.764 -12.832 4.688 311 HG SER 50 HG SER 50 -5.876 -12.737 4.655 312 H ASP 51 H ASP 51 -6.088 -10.772 6.185 313 HA ASP 51 HA ASP 51 -5.558 -10.475 8.876 314 HB2 ASP 51 1HB ASP 51 -7.801 -11.734 7.349 315 HB3 ASP 51 2HB ASP 51 -7.759 -11.910 9.101 316 H SER 52 H SER 52 -5.750 -13.474 6.997 317 HA SER 52 HA SER 52 -5.297 -15.190 9.223 318 HB2 SER 52 1HB SER 52 -6.385 -16.146 7.332 319 HB3 SER 52 2HB SER 52 -5.112 -15.608 6.238 320 HG SER 52 HG SER 52 -3.752 -17.131 7.074 321 H GLY 53 H GLY 53 -3.261 -13.202 7.358 322 HA2 GLY 53 1HA GLY 53 -1.017 -12.754 7.985 323 HA3 GLY 53 2HA GLY 53 -0.922 -14.359 8.694 324 H THR 54 H THR 54 -1.531 -12.901 5.495 325 HA THR 54 HA THR 54 0.328 -14.890 4.363 326 HB THR 54 HB THR 54 -2.041 -13.707 2.908 327 HG1 THR 54 1HG THR 54 -2.298 -15.337 4.812 328 HG21 THR 54 1HG2 THR 54 -1.397 -16.065 1.697 329 HG22 THR 54 2HG2 THR 54 0.190 -15.471 2.184 330 HG23 THR 54 3HG2 THR 54 -0.848 -14.478 1.161 331 H LYS 55 H LYS 55 2.151 -13.844 3.889 332 HA LYS 55 HA LYS 55 2.257 -11.060 3.281 333 HB2 LYS 55 1HB LYS 55 4.379 -13.182 2.906 334 HB3 LYS 55 2HB LYS 55 4.644 -11.444 2.893 335 HG2 LYS 55 1HG LYS 55 4.420 -11.250 5.161 336 HG3 LYS 55 2HG LYS 55 3.385 -12.674 5.291 337 HD2 LYS 55 1HD LYS 55 5.450 -13.292 6.253 338 HD3 LYS 55 2HD LYS 55 5.425 -14.041 4.655 339 HE2 LYS 55 1HE LYS 55 6.622 -11.331 4.925 340 HE3 LYS 55 2HE LYS 55 7.533 -12.709 5.541 341 HZ1 LYS 55 1HZ LYS 55 6.432 -12.610 2.792 342 HZ2 LYS 55 2HZ LYS 55 7.570 -13.696 3.414 343 HZ3 LYS 55 3HZ LYS 55 7.990 -12.074 3.176 344 H ALA 56 H ALA 56 1.557 -10.241 1.424 345 HA ALA 56 HA ALA 56 1.551 -11.836 -1.000 346 HB1 ALA 56 1HB ALA 56 -0.008 -10.399 -1.809 347 HB2 ALA 56 2HB ALA 56 -0.233 -10.081 -0.088 348 HB3 ALA 56 3HB ALA 56 0.745 -8.987 -1.067 349 H GLU 57 H GLU 57 2.715 -11.411 -2.850 350 HA GLU 57 HA GLU 57 5.286 -10.320 -2.552 351 HB2 GLU 57 1HB GLU 57 4.263 -11.997 -4.321 352 HB3 GLU 57 2HB GLU 57 4.043 -10.527 -5.259 353 HG2 GLU 57 1HG GLU 57 6.554 -10.126 -4.678 354 HG3 GLU 57 2HG GLU 57 6.559 -11.866 -4.397 355 H VAL 58 H VAL 58 5.898 -8.272 -2.458 356 HA VAL 58 HA VAL 58 4.291 -6.251 -3.881 357 HB VAL 58 HB VAL 58 5.785 -5.857 -1.284 358 HG11 VAL 58 1HG1 VAL 58 5.302 -3.964 -3.133 359 HG12 VAL 58 2HG1 VAL 58 3.792 -3.895 -2.224 360 HG13 VAL 58 3HG1 VAL 58 5.331 -3.647 -1.399 361 HG21 VAL 58 1HG2 VAL 58 3.429 -7.165 -1.554 362 HG22 VAL 58 2HG2 VAL 58 3.888 -6.232 -0.129 363 HG23 VAL 58 3HG2 VAL 58 2.867 -5.503 -1.368 364 H SER 59 H SER 59 5.358 -4.737 -5.074 365 HA SER 59 HA SER 59 8.289 -4.712 -4.995 366 HB2 SER 59 1HB SER 59 7.659 -6.246 -6.807 367 HB3 SER 59 2HB SER 59 6.644 -4.993 -7.523 368 HG SER 59 HG SER 59 8.832 -3.778 -7.374 369 H ILE 60 H ILE 60 9.218 -2.753 -5.412 370 HA ILE 60 HA ILE 60 7.377 -0.525 -5.990 371 HB ILE 60 HB ILE 60 9.833 -0.445 -4.234 372 HG12 ILE 60 1HG1 ILE 60 6.980 -0.029 -3.363 373 HG13 ILE 60 2HG1 ILE 60 7.715 -1.629 -3.373 374 HG21 ILE 60 1HG2 ILE 60 8.544 1.609 -5.646 375 HG22 ILE 60 2HG2 ILE 60 8.062 1.793 -3.961 376 HG23 ILE 60 3HG2 ILE 60 9.772 1.769 -4.391 377 HD11 ILE 60 1HD1 ILE 60 7.825 0.303 -1.353 378 HD12 ILE 60 2HD1 ILE 60 8.679 -1.239 -1.425 379 HD13 ILE 60 3HD1 ILE 60 9.445 0.223 -2.045 380 H GLN 61 H GLN 61 7.834 0.647 -7.733 381 HA GLN 61 HA GLN 61 10.414 0.233 -9.055 382 HB2 GLN 61 1HB GLN 61 8.374 -0.190 -10.372 383 HB3 GLN 61 2HB GLN 61 7.869 1.475 -10.115 384 HG2 GLN 61 1HG GLN 61 9.718 2.299 -11.391 385 HG3 GLN 61 2HG GLN 61 10.409 0.682 -11.517 386 HE21 GLN 61 1HE2 GLN 61 9.722 -0.661 -13.090 387 HE22 GLN 61 2HE2 GLN 61 8.526 -0.252 -14.267 388 H ASN 62 H ASN 62 11.941 1.693 -8.712 389 HA ASN 62 HA ASN 62 11.244 4.359 -7.789 390 HB2 ASN 62 1HB ASN 62 13.036 3.338 -6.592 391 HB3 ASN 62 2HB ASN 62 13.870 2.898 -8.080 392 HD21 ASN 62 1HD2 ASN 62 12.553 5.820 -6.550 393 HD22 ASN 62 2HD2 ASN 62 13.925 6.816 -6.883 394 H ASN 63 H ASN 63 11.360 6.178 -8.967 395 HA ASN 63 HA ASN 63 12.542 6.004 -11.660 396 HB2 ASN 63 1HB ASN 63 9.931 7.235 -10.795 397 HB3 ASN 63 2HB ASN 63 10.733 7.724 -12.285 398 HD21 ASN 63 1HD2 ASN 63 8.737 5.439 -10.781 399 HD22 ASN 63 2HD2 ASN 63 8.592 4.338 -12.104 400 H LYS 64 H LYS 64 13.474 7.915 -12.492 401 HA LYS 64 HA LYS 64 14.529 9.663 -10.422 402 HB2 LYS 64 1HB LYS 64 15.782 8.540 -12.472 403 HB3 LYS 64 2HB LYS 64 15.234 9.989 -13.304 404 HG2 LYS 64 1HG LYS 64 16.661 10.217 -10.691 405 HG3 LYS 64 2HG LYS 64 17.567 9.953 -12.182 406 HD2 LYS 64 1HD LYS 64 16.333 11.943 -13.135 407 HD3 LYS 64 2HD LYS 64 15.752 12.258 -11.498 408 HE2 LYS 64 1HE LYS 64 18.000 12.539 -10.698 409 HE3 LYS 64 2HE LYS 64 18.663 12.036 -12.252 410 HZ1 LYS 64 1HZ LYS 64 17.818 14.611 -11.419 411 HZ2 LYS 64 2HZ LYS 64 16.967 14.137 -12.802 412 HZ3 LYS 64 3HZ LYS 64 18.658 14.164 -12.818 413 H ASP 65 H ASP 65 11.832 10.078 -10.786 414 HA ASP 65 HA ASP 65 11.798 12.727 -12.075 415 HB2 ASP 65 1HB ASP 65 10.446 10.758 -13.164 416 HB3 ASP 65 2HB ASP 65 9.305 11.079 -11.861 417 H GLY 66 H GLY 66 10.332 10.665 -9.583 418 HA2 GLY 66 1HA GLY 66 10.475 11.881 -7.328 419 HA3 GLY 66 2HA GLY 66 9.508 13.101 -8.144 420 H THR 67 H THR 67 9.120 9.658 -8.665 421 HA THR 67 HA THR 67 6.781 9.564 -6.929 422 HB THR 67 HB THR 67 5.371 8.610 -8.766 423 HG1 THR 67 1HG THR 67 6.972 9.859 -10.678 424 HG21 THR 67 1HG2 THR 67 6.326 11.453 -9.128 425 HG22 THR 67 2HG2 THR 67 5.041 10.908 -8.050 426 HG23 THR 67 3HG2 THR 67 4.836 10.788 -9.797 427 H TYR 68 H TYR 68 5.797 7.313 -6.963 428 HA TYR 68 HA TYR 68 7.758 5.236 -7.609 429 HB2 TYR 68 1HB TYR 68 6.470 5.592 -4.896 430 HB3 TYR 68 2HB TYR 68 7.415 4.190 -5.384 431 HD1 TYR 68 2HD TYR 68 7.564 7.777 -4.570 432 HD2 TYR 68 1HD TYR 68 9.810 4.277 -5.467 433 HE1 TYR 68 2HE TYR 68 9.617 8.913 -3.832 434 HE2 TYR 68 1HE TYR 68 11.870 5.403 -4.731 435 HH TYR 68 HH TYR 68 12.179 8.624 -4.381 436 H ALA 69 H ALA 69 6.887 3.290 -8.184 437 HA ALA 69 HA ALA 69 3.951 3.195 -8.351 438 HB1 ALA 69 1HB ALA 69 5.807 1.496 -9.984 439 HB2 ALA 69 2HB ALA 69 4.129 1.934 -10.309 440 HB3 ALA 69 3HB ALA 69 5.402 3.146 -10.461 441 H VAL 70 H VAL 70 3.431 2.245 -6.411 442 HA VAL 70 HA VAL 70 4.751 -0.235 -5.634 443 HB VAL 70 HB VAL 70 2.669 1.462 -4.260 444 HG11 VAL 70 1HG1 VAL 70 2.754 -0.049 -2.390 445 HG12 VAL 70 2HG1 VAL 70 2.299 -0.955 -3.834 446 HG13 VAL 70 3HG1 VAL 70 3.945 -1.059 -3.209 447 HG21 VAL 70 1HG2 VAL 70 4.388 2.484 -3.293 448 HG22 VAL 70 2HG2 VAL 70 5.070 0.942 -2.774 449 HG23 VAL 70 3HG2 VAL 70 5.470 1.593 -4.363 450 H THR 71 H THR 71 3.805 -2.224 -5.623 451 HA THR 71 HA THR 71 1.001 -2.466 -6.418 452 HB THR 71 HB THR 71 2.956 -4.271 -7.778 453 HG1 THR 71 1HG THR 71 3.811 -2.379 -8.460 454 HG21 THR 71 1HG2 THR 71 0.719 -4.888 -8.128 455 HG22 THR 71 2HG2 THR 71 1.153 -3.991 -9.584 456 HG23 THR 71 3HG2 THR 71 0.196 -3.215 -8.323 457 H TYR 72 H TYR 72 0.043 -4.479 -5.891 458 HA TYR 72 HA TYR 72 1.649 -6.332 -4.296 459 HB2 TYR 72 1HB TYR 72 0.267 -6.247 -2.398 460 HB3 TYR 72 2HB TYR 72 0.493 -4.558 -2.838 461 HD1 TYR 72 2HD TYR 72 -1.887 -7.386 -2.968 462 HD2 TYR 72 1HD TYR 72 -1.351 -3.192 -3.434 463 HE1 TYR 72 2HE TYR 72 -4.327 -7.090 -3.055 464 HE2 TYR 72 1HE TYR 72 -3.790 -2.884 -3.521 465 HH TYR 72 HH TYR 72 -5.811 -4.003 -2.863 466 H VAL 73 H VAL 73 1.173 -8.394 -4.714 467 HA VAL 73 HA VAL 73 -1.286 -8.957 -6.235 468 HB VAL 73 HB VAL 73 1.338 -10.453 -6.198 469 HG11 VAL 73 1HG1 VAL 73 0.231 -12.251 -6.879 470 HG12 VAL 73 2HG1 VAL 73 -1.297 -11.370 -6.821 471 HG13 VAL 73 3HG1 VAL 73 -0.321 -11.350 -8.290 472 HG21 VAL 73 1HG2 VAL 73 1.670 -9.684 -8.400 473 HG22 VAL 73 2HG2 VAL 73 0.010 -9.106 -8.536 474 HG23 VAL 73 3HG2 VAL 73 1.152 -8.268 -7.486 475 HA PRO 74 HA PRO 74 -2.260 -11.023 -2.316 476 HB2 PRO 74 1HB PRO 74 -4.929 -11.135 -2.802 477 HB3 PRO 74 2HB PRO 74 -4.126 -9.690 -2.175 478 HG2 PRO 74 1HG PRO 74 -4.957 -10.329 -4.979 479 HG3 PRO 74 2HG PRO 74 -5.117 -8.807 -4.084 480 HD2 PRO 74 1HD PRO 74 -3.149 -9.231 -5.894 481 HD3 PRO 74 2HD PRO 74 -2.924 -8.207 -4.462 482 H LEU 75 H LEU 75 -1.879 -13.138 -2.193 483 HA LEU 75 HA LEU 75 -2.404 -14.908 -4.395 484 HB2 LEU 75 1HB LEU 75 -1.374 -15.394 -1.607 485 HB3 LEU 75 2HB LEU 75 -1.529 -16.652 -2.831 486 HG LEU 75 HG LEU 75 0.206 -14.208 -3.155 487 HD11 LEU 75 1HD1 LEU 75 1.463 -16.825 -2.711 488 HD12 LEU 75 2HD1 LEU 75 0.669 -16.123 -1.303 489 HD13 LEU 75 3HD1 LEU 75 1.933 -15.224 -2.141 490 HD21 LEU 75 1HD2 LEU 75 1.228 -16.158 -4.732 491 HD22 LEU 75 2HD2 LEU 75 0.090 -14.928 -5.281 492 HD23 LEU 75 3HD2 LEU 75 -0.494 -16.527 -4.818 493 H THR 76 H THR 76 -3.964 -14.064 -1.407 494 HA THR 76 HA THR 76 -6.130 -15.943 -2.059 495 HB THR 76 HB THR 76 -4.798 -16.834 -0.157 496 HG1 THR 76 1HG THR 76 -7.499 -16.113 0.036 497 HG21 THR 76 1HG2 THR 76 -5.828 -14.975 1.817 498 HG22 THR 76 2HG2 THR 76 -4.738 -14.186 0.677 499 HG23 THR 76 3HG2 THR 76 -4.190 -15.588 1.596 500 H ALA 77 H ALA 77 -8.166 -15.149 -1.872 501 HA ALA 77 HA ALA 77 -8.510 -12.329 -1.699 502 HB1 ALA 77 1HB ALA 77 -10.316 -12.850 -2.872 503 HB2 ALA 77 2HB ALA 77 -10.044 -14.565 -2.563 504 HB3 ALA 77 3HB ALA 77 -11.019 -13.611 -1.445 505 H GLY 78 H GLY 78 -9.825 -11.166 -0.187 506 HA2 GLY 78 1HA GLY 78 -11.156 -11.654 1.986 507 HA3 GLY 78 2HA GLY 78 -9.603 -12.276 2.525 508 H MET 79 H MET 79 -10.164 -10.549 4.197 509 HA MET 79 HA MET 79 -9.815 -7.812 3.428 510 HB2 MET 79 1HB MET 79 -10.175 -9.293 5.986 511 HB3 MET 79 2HB MET 79 -9.463 -7.687 6.067 512 HG2 MET 79 1HG MET 79 -11.948 -8.030 4.485 513 HG3 MET 79 2HG MET 79 -12.064 -8.079 6.243 514 HE1 MET 79 1HE MET 79 -10.890 -6.145 3.155 515 HE2 MET 79 2HE MET 79 -10.590 -4.509 3.741 516 HE3 MET 79 3HE MET 79 -9.464 -5.808 4.137 517 H TYR 80 H TYR 80 -7.928 -6.992 2.829 518 HA TYR 80 HA TYR 80 -5.455 -8.150 3.896 519 HB2 TYR 80 1HB TYR 80 -6.174 -6.684 1.405 520 HB3 TYR 80 2HB TYR 80 -4.538 -6.484 2.025 521 HD1 TYR 80 1HD TYR 80 -3.077 -8.501 2.295 522 HD2 TYR 80 2HD TYR 80 -6.829 -8.673 0.296 523 HE1 TYR 80 1HE TYR 80 -2.415 -10.626 1.248 524 HE2 TYR 80 2HE TYR 80 -6.178 -10.799 -0.755 525 HH TYR 80 HH TYR 80 -3.270 -12.491 0.167 526 H THR 81 H THR 81 -3.737 -6.760 4.601 527 HA THR 81 HA THR 81 -4.681 -4.157 5.614 528 HB THR 81 HB THR 81 -2.761 -6.050 6.984 529 HG1 THR 81 1HG THR 81 -5.506 -5.548 7.231 530 HG21 THR 81 1HG2 THR 81 -2.129 -3.808 7.506 531 HG22 THR 81 2HG2 THR 81 -3.036 -4.426 8.887 532 HG23 THR 81 3HG2 THR 81 -3.809 -3.327 7.744 533 H LEU 82 H LEU 82 -3.788 -2.906 4.000 534 HA LEU 82 HA LEU 82 -1.082 -3.235 3.125 535 HB2 LEU 82 1HB LEU 82 -2.701 -0.743 2.746 536 HB3 LEU 82 2HB LEU 82 -1.465 -1.430 1.694 537 HG LEU 82 HG LEU 82 -4.128 -2.757 2.137 538 HD11 LEU 82 1HD1 LEU 82 -4.895 -0.818 1.196 539 HD12 LEU 82 2HD1 LEU 82 -4.492 -1.736 -0.254 540 HD13 LEU 82 3HD1 LEU 82 -3.384 -0.501 0.343 541 HD21 LEU 82 1HD2 LEU 82 -2.811 -4.341 1.157 542 HD22 LEU 82 2HD2 LEU 82 -1.783 -3.154 0.355 543 HD23 LEU 82 3HD2 LEU 82 -3.388 -3.507 -0.286 544 H THR 83 H THR 83 0.713 -2.425 3.989 545 HA THR 83 HA THR 83 0.502 -0.141 5.829 546 HB THR 83 HB THR 83 2.270 -2.537 6.343 547 HG1 THR 83 1HG THR 83 0.067 -1.890 7.963 548 HG21 THR 83 1HG2 THR 83 3.183 -0.545 7.314 549 HG22 THR 83 2HG2 THR 83 2.438 -1.481 8.610 550 HG23 THR 83 3HG2 THR 83 1.609 -0.071 7.950 551 H MET 84 H MET 84 1.583 1.448 4.860 552 HA MET 84 HA MET 84 4.173 0.807 3.608 553 HB2 MET 84 1HB MET 84 2.402 1.571 2.021 554 HB3 MET 84 2HB MET 84 2.335 3.096 2.893 555 HG2 MET 84 1HG MET 84 4.319 3.825 2.061 556 HG3 MET 84 2HG MET 84 4.975 2.198 1.897 557 HE1 MET 84 1HE MET 84 1.345 2.811 -0.419 558 HE2 MET 84 2HE MET 84 1.741 3.676 1.066 559 HE3 MET 84 3HE MET 84 2.012 4.442 -0.500 560 H LYS 85 H LYS 85 5.935 1.874 4.299 561 HA LYS 85 HA LYS 85 5.534 4.122 6.163 562 HB2 LYS 85 1HB LYS 85 7.257 1.695 6.385 563 HB3 LYS 85 2HB LYS 85 7.847 3.202 7.072 564 HG2 LYS 85 1HG LYS 85 5.448 3.242 8.164 565 HG3 LYS 85 2HG LYS 85 5.562 1.500 7.904 566 HD2 LYS 85 1HD LYS 85 7.953 1.872 8.988 567 HD3 LYS 85 2HD LYS 85 7.141 3.268 9.700 568 HE2 LYS 85 1HE LYS 85 5.397 1.789 10.584 569 HE3 LYS 85 2HE LYS 85 6.221 0.399 9.879 570 HZ1 LYS 85 1HZ LYS 85 7.341 2.196 11.963 571 HZ2 LYS 85 2HZ LYS 85 8.126 0.857 11.291 572 HZ3 LYS 85 3HZ LYS 85 6.734 0.639 12.227 573 H TYR 86 H TYR 86 6.456 5.955 5.541 574 HA TYR 86 HA TYR 86 8.582 5.834 3.510 575 HB2 TYR 86 1HB TYR 86 6.400 7.022 2.970 576 HB3 TYR 86 2HB TYR 86 6.866 8.231 4.161 577 HD1 TYR 86 1HD TYR 86 8.709 9.761 3.726 578 HD2 TYR 86 2HD TYR 86 7.554 6.854 0.842 579 HE1 TYR 86 1HE TYR 86 10.019 10.947 2.015 580 HE2 TYR 86 2HE TYR 86 8.860 8.032 -0.877 581 HH TYR 86 HH TYR 86 10.450 9.621 -1.215 582 H GLY 87 H GLY 87 10.562 6.202 4.240 583 HA2 GLY 87 1HA GLY 87 12.315 7.140 5.391 584 HA3 GLY 87 2HA GLY 87 11.247 8.485 5.765 585 H GLY 88 H GLY 88 10.570 5.159 6.656 586 HA2 GLY 88 1HA GLY 88 10.696 4.089 8.712 587 HA3 GLY 88 2HA GLY 88 11.557 5.483 9.349 588 H GLU 89 H GLU 89 8.813 6.557 7.813 589 HA GLU 89 HA GLU 89 7.227 6.429 10.291 590 HB2 GLU 89 1HB GLU 89 7.403 8.816 8.446 591 HB3 GLU 89 2HB GLU 89 6.515 8.719 9.960 592 HG2 GLU 89 1HG GLU 89 8.905 8.154 10.921 593 HG3 GLU 89 2HG GLU 89 9.426 9.028 9.481 594 H LEU 90 H LEU 90 5.120 5.924 10.072 595 HA LEU 90 HA LEU 90 4.174 4.783 7.691 596 HB2 LEU 90 1HB LEU 90 2.988 5.517 10.311 597 HB3 LEU 90 2HB LEU 90 1.884 5.188 8.978 598 HG LEU 90 HG LEU 90 3.998 3.248 9.896 599 HD11 LEU 90 1HD1 LEU 90 2.473 3.645 11.736 600 HD12 LEU 90 2HD1 LEU 90 2.177 2.056 11.031 601 HD13 LEU 90 3HD1 LEU 90 1.089 3.396 10.672 602 HD21 LEU 90 1HD2 LEU 90 1.574 2.273 8.598 603 HD22 LEU 90 2HD2 LEU 90 3.266 1.886 8.282 604 HD23 LEU 90 3HD2 LEU 90 2.544 3.331 7.572 605 H VAL 91 H VAL 91 2.491 5.450 6.280 606 HA VAL 91 HA VAL 91 2.486 8.331 5.817 607 HB VAL 91 HB VAL 91 1.094 7.441 3.731 608 HG11 VAL 91 1HG1 VAL 91 4.070 7.011 3.837 609 HG12 VAL 91 2HG1 VAL 91 3.088 7.516 2.460 610 HG13 VAL 91 3HG1 VAL 91 3.333 8.613 3.820 611 HG21 VAL 91 1HG2 VAL 91 1.225 5.096 4.791 612 HG22 VAL 91 2HG2 VAL 91 1.552 5.256 3.065 613 HG23 VAL 91 3HG2 VAL 91 2.888 5.087 4.204 614 HA PRO 92 HA PRO 92 -1.631 9.087 7.133 615 HB2 PRO 92 1HB PRO 92 -2.540 10.808 5.241 616 HB3 PRO 92 2HB PRO 92 -1.345 11.265 6.460 617 HG2 PRO 92 1HG PRO 92 -0.929 10.465 3.605 618 HG3 PRO 92 2HG PRO 92 -0.164 11.776 4.523 619 HD2 PRO 92 1HD PRO 92 1.066 9.408 4.065 620 HD3 PRO 92 2HD PRO 92 1.339 10.356 5.541 621 H HIS 93 H HIS 93 -1.003 7.206 4.513 622 HA HIS 93 HA HIS 93 -3.864 6.732 3.988 623 HB2 HIS 93 1HB HIS 93 -1.488 6.681 2.161 624 HB3 HIS 93 2HB HIS 93 -2.884 5.668 1.803 625 HD1 HIS 93 1HD HIS 93 -4.683 6.751 0.489 626 HD2 HIS 93 2HD HIS 93 -2.255 9.536 2.390 627 HE1 HIS 93 1HE HIS 93 -5.480 8.997 -0.315 628 HE2 HIS 93 2HE HIS 93 -3.941 10.662 0.783 629 H PHE 94 H PHE 94 -1.681 5.582 5.884 630 HA PHE 94 HA PHE 94 -2.614 2.850 5.664 631 HB2 PHE 94 1HB PHE 94 0.345 3.476 5.563 632 HB3 PHE 94 2HB PHE 94 -0.362 1.868 5.683 633 HD1 PHE 94 2HD PHE 94 -0.380 4.887 3.505 634 HD2 PHE 94 1HD PHE 94 -0.752 0.654 3.762 635 HE1 PHE 94 2HE PHE 94 -0.471 4.749 1.050 636 HE2 PHE 94 1HE PHE 94 -0.841 0.510 1.307 637 HZ PHE 94 HZ PHE 94 -0.702 2.559 -0.052 638 HA PRO 95 HA PRO 95 -1.794 0.869 6.633 639 HB2 PRO 95 1HB PRO 95 -3.366 -0.519 8.357 640 HB3 PRO 95 2HB PRO 95 -1.607 -0.433 8.517 641 HG2 PRO 95 1HG PRO 95 -3.719 1.123 9.960 642 HG3 PRO 95 2HG PRO 95 -2.244 0.377 10.602 643 HD2 PRO 95 1HD PRO 95 -2.422 3.024 10.062 644 HD3 PRO 95 2HD PRO 95 -0.906 2.115 9.893 645 H ALA 96 H ALA 96 -3.474 0.063 5.371 646 HA ALA 96 HA ALA 96 -6.125 1.274 5.736 647 HB1 ALA 96 1HB ALA 96 -5.145 0.987 2.953 648 HB2 ALA 96 2HB ALA 96 -6.235 2.183 3.656 649 HB3 ALA 96 3HB ALA 96 -4.495 2.317 3.913 650 H ARG 97 H ARG 97 -7.796 -0.083 5.411 651 HA ARG 97 HA ARG 97 -7.160 -2.849 4.731 652 HB2 ARG 97 1HB ARG 97 -9.410 -3.354 5.591 653 HB3 ARG 97 2HB ARG 97 -8.445 -2.470 6.765 654 HG2 ARG 97 1HG ARG 97 -10.392 -1.326 6.959 655 HG3 ARG 97 2HG ARG 97 -9.654 -0.396 5.653 656 HD2 ARG 97 1HD ARG 97 -11.066 -1.243 4.066 657 HD3 ARG 97 2HD ARG 97 -11.298 -2.763 4.929 658 HE ARG 97 HE ARG 97 -13.074 -1.829 6.038 659 HH11 ARG 97 1HH1 ARG 97 -11.240 0.682 4.472 660 HH12 ARG 97 2HH1 ARG 97 -12.411 1.918 4.794 661 HH21 ARG 97 1HH2 ARG 97 -14.623 -0.211 6.468 662 HH22 ARG 97 2HH2 ARG 97 -14.335 1.409 5.930 663 H VAL 98 H VAL 98 -8.090 -3.974 3.052 664 HA VAL 98 HA VAL 98 -9.969 -2.606 1.290 665 HB VAL 98 HB VAL 98 -7.374 -3.733 0.232 666 HG11 VAL 98 1HG1 VAL 98 -8.839 -1.989 -1.534 667 HG12 VAL 98 2HG1 VAL 98 -8.283 -3.644 -1.795 668 HG13 VAL 98 3HG1 VAL 98 -9.839 -3.347 -1.019 669 HG21 VAL 98 1HG2 VAL 98 -7.122 -1.220 -0.433 670 HG22 VAL 98 2HG2 VAL 98 -8.217 -0.953 0.924 671 HG23 VAL 98 3HG2 VAL 98 -6.669 -1.755 1.185 672 H LYS 99 H LYS 99 -11.462 -3.966 0.536 673 HA LYS 99 HA LYS 99 -11.268 -6.773 1.173 674 HB2 LYS 99 1HB LYS 99 -13.373 -5.452 1.436 675 HB3 LYS 99 2HB LYS 99 -13.457 -5.313 -0.315 676 HG2 LYS 99 1HG LYS 99 -13.316 -7.929 -0.216 677 HG3 LYS 99 2HG LYS 99 -13.915 -7.681 1.426 678 HD2 LYS 99 1HD LYS 99 -15.772 -6.317 0.462 679 HD3 LYS 99 2HD LYS 99 -15.210 -6.781 -1.145 680 HE2 LYS 99 1HE LYS 99 -16.855 -8.349 -0.750 681 HE3 LYS 99 2HE LYS 99 -15.408 -9.204 -0.217 682 HZ1 LYS 99 1HZ LYS 99 -17.438 -7.865 1.479 683 HZ2 LYS 99 2HZ LYS 99 -15.950 -8.407 2.073 684 HZ3 LYS 99 3HZ LYS 99 -17.058 -9.513 1.431 685 H VAL 100 H VAL 100 -10.361 -8.220 -0.117 686 HA VAL 100 HA VAL 100 -10.143 -7.637 -2.987 687 HB VAL 100 HB VAL 100 -8.620 -9.553 -1.223 688 HG11 VAL 100 1HG1 VAL 100 -8.552 -10.818 -3.099 689 HG12 VAL 100 2HG1 VAL 100 -8.926 -9.459 -4.162 690 HG13 VAL 100 3HG1 VAL 100 -7.287 -9.672 -3.544 691 HG21 VAL 100 1HG2 VAL 100 -7.892 -7.036 -2.701 692 HG22 VAL 100 2HG2 VAL 100 -7.805 -7.343 -0.967 693 HG23 VAL 100 3HG2 VAL 100 -6.689 -8.157 -2.063 694 H GLU 101 H GLU 101 -11.259 -8.766 -4.445 695 HA GLU 101 HA GLU 101 -13.019 -10.883 -3.528 696 HB2 GLU 101 1HB GLU 101 -12.819 -9.176 -5.959 697 HB3 GLU 101 2HB GLU 101 -13.599 -10.743 -6.126 698 HG2 GLU 101 1HG GLU 101 -14.406 -8.813 -3.983 699 HG3 GLU 101 2HG GLU 101 -15.064 -8.716 -5.615 700 HA PRO 102 HA PRO 102 -10.662 -14.295 -4.964 701 HB2 PRO 102 1HB PRO 102 -12.630 -16.000 -5.732 702 HB3 PRO 102 2HB PRO 102 -12.276 -15.643 -4.038 703 HG2 PRO 102 1HG PRO 102 -14.415 -14.517 -5.805 704 HG3 PRO 102 2HG PRO 102 -14.523 -15.050 -4.117 705 HD2 PRO 102 1HD PRO 102 -14.314 -12.441 -4.811 706 HD3 PRO 102 2HD PRO 102 -13.624 -13.088 -3.308 707 H ALA 103 H ALA 103 -9.900 -15.329 -6.822 708 HA ALA 103 HA ALA 103 -10.868 -14.174 -9.352 709 HB1 ALA 103 1HB ALA 103 -8.677 -14.400 -10.236 710 HB2 ALA 103 2HB ALA 103 -8.510 -13.671 -8.639 711 HB3 ALA 103 3HB ALA 103 -8.155 -15.383 -8.868 712 H VAL 104 H VAL 104 -12.344 -16.260 -8.462 713 HA VAL 104 HA VAL 104 -11.345 -18.734 -9.598 714 HB VAL 104 HB VAL 104 -13.744 -19.508 -8.995 715 HG11 VAL 104 1HG1 VAL 104 -11.349 -19.439 -7.616 716 HG12 VAL 104 2HG1 VAL 104 -12.525 -18.829 -6.450 717 HG13 VAL 104 3HG1 VAL 104 -12.765 -20.406 -7.205 718 HG21 VAL 104 1HG2 VAL 104 -15.016 -18.207 -7.539 719 HG22 VAL 104 2HG2 VAL 104 -13.666 -17.137 -7.160 720 HG23 VAL 104 3HG2 VAL 104 -14.450 -17.044 -8.738 721 H ASP 105 H ASP 105 -11.145 -17.847 -11.783 722 HA ASP 105 HA ASP 105 -13.713 -17.988 -13.216 723 HB2 ASP 105 1HB ASP 105 -13.010 -15.664 -13.199 724 HB3 ASP 105 2HB ASP 105 -11.408 -16.112 -13.777 725 H THR 106 H THR 106 -13.320 -20.187 -13.657 726 HA THR 106 HA THR 106 -11.972 -20.703 -16.076 727 HB THR 106 HB THR 106 -9.973 -20.533 -14.585 728 HG1 THR 106 1HG THR 106 -10.476 -22.254 -16.433 729 HG21 THR 106 1HG2 THR 106 -9.533 -22.289 -12.970 730 HG22 THR 106 2HG2 THR 106 -11.085 -23.045 -13.331 731 HG23 THR 106 3HG2 THR 106 -11.034 -21.462 -12.555 732 H SER 107 H SER 107 -12.442 -22.742 -16.903 733 HA SER 107 HA SER 107 -14.198 -24.406 -15.219 734 HB2 SER 107 1HB SER 107 -14.407 -23.971 -18.208 735 HB3 SER 107 2HB SER 107 -15.479 -24.968 -17.225 736 HG SER 107 HG SER 107 -15.573 -22.720 -16.029 737 H SER 108 H SER 108 -13.504 -26.405 -14.884 738 HA SER 108 HA SER 108 -11.099 -27.418 -15.816 739 HB2 SER 108 1HB SER 108 -12.350 -28.260 -13.826 740 HB3 SER 108 2HB SER 108 -13.482 -29.056 -14.919 741 HG SER 108 HG SER 108 -11.581 -30.293 -14.043 742 H GLY 109 H GLY 109 -10.486 -28.771 -17.462 743 HA2 GLY 109 1HA GLY 109 -12.256 -30.161 -19.165 744 HA3 GLY 109 2HA GLY 109 -11.843 -28.619 -19.900 745 HA PRO 110 HA PRO 110 -8.595 -31.953 -20.770 746 HB2 PRO 110 1HB PRO 110 -9.082 -32.229 -23.427 747 HB3 PRO 110 2HB PRO 110 -9.888 -33.208 -22.196 748 HG2 PRO 110 1HG PRO 110 -10.885 -30.782 -23.638 749 HG3 PRO 110 2HG PRO 110 -11.740 -32.288 -23.259 750 HD2 PRO 110 1HD PRO 110 -12.060 -30.026 -21.806 751 HD3 PRO 110 2HD PRO 110 -12.169 -31.646 -21.087 752 H SER 111 H SER 111 -6.600 -31.300 -21.326 753 HA SER 111 HA SER 111 -6.353 -28.830 -22.917 754 HB2 SER 111 1HB SER 111 -4.972 -29.724 -20.425 755 HB3 SER 111 2HB SER 111 -4.059 -28.756 -21.582 756 HG SER 111 HG SER 111 -5.654 -27.840 -19.779 757 H SER 112 H SER 112 -4.946 -28.802 -24.595 758 HA SER 112 HA SER 112 -3.733 -31.364 -25.320 759 HB2 SER 112 1HB SER 112 -4.263 -28.865 -26.943 760 HB3 SER 112 2HB SER 112 -3.471 -30.308 -27.575 761 HG SER 112 HG SER 112 -5.533 -30.681 -28.061 762 H GLY 113 H GLY 113 -1.771 -31.557 -24.395 763 HA2 GLY 113 1HA GLY 113 0.563 -31.204 -24.576 764 HA3 GLY 113 2HA GLY 113 0.247 -29.573 -25.148
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