NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17740 | 2cum | 11110 | 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 21.684 -8.616 -20.264 2 HA2 GLY 1 1HA GLY 1 20.611 -10.972 -19.818 3 HA3 GLY 1 2HA GLY 1 21.122 -10.595 -18.180 4 H SER 2 H SER 2 18.427 -10.953 -19.457 5 HA SER 2 HA SER 2 16.982 -8.660 -19.791 6 HB2 SER 2 1HB SER 2 16.072 -11.102 -18.247 7 HB3 SER 2 2HB SER 2 15.021 -9.898 -18.993 8 HG SER 2 HG SER 2 16.025 -12.062 -20.105 9 H SER 3 H SER 3 15.410 -7.631 -18.265 10 HA SER 3 HA SER 3 16.801 -6.482 -16.088 11 HB2 SER 3 1HB SER 3 14.555 -5.452 -15.552 12 HB3 SER 3 2HB SER 3 15.132 -5.166 -17.194 13 HG SER 3 HG SER 3 12.850 -6.256 -16.458 14 H GLY 4 H GLY 4 17.170 -7.339 -14.160 15 HA2 GLY 4 1HA GLY 4 15.142 -9.173 -13.038 16 HA3 GLY 4 2HA GLY 4 16.864 -9.495 -12.904 17 H SER 5 H SER 5 16.720 -9.550 -10.633 18 HA SER 5 HA SER 5 15.763 -7.260 -9.178 19 HB2 SER 5 1HB SER 5 16.562 -8.488 -7.184 20 HB3 SER 5 2HB SER 5 15.544 -9.495 -8.213 21 HG SER 5 HG SER 5 18.065 -9.916 -7.436 22 H SER 6 H SER 6 18.945 -8.732 -9.767 23 HA SER 6 HA SER 6 21.049 -7.864 -9.749 24 HB2 SER 6 1HB SER 6 19.617 -5.197 -9.837 25 HB3 SER 6 2HB SER 6 21.331 -5.454 -10.161 26 HG SER 6 HG SER 6 19.440 -6.922 -11.616 27 H GLY 7 H GLY 7 20.011 -8.632 -7.318 28 HA2 GLY 7 1HA GLY 7 20.787 -8.534 -5.131 29 HA3 GLY 7 2HA GLY 7 21.627 -7.042 -5.528 30 H LEU 8 H LEU 8 19.532 -5.477 -6.431 31 HA LEU 8 HA LEU 8 18.555 -4.301 -4.165 32 HB2 LEU 8 1HB LEU 8 17.627 -4.360 -6.993 33 HB3 LEU 8 2HB LEU 8 16.589 -3.611 -5.782 34 HG LEU 8 HG LEU 8 19.424 -2.791 -6.411 35 HD11 LEU 8 1HD1 LEU 8 16.814 -1.428 -7.054 36 HD12 LEU 8 2HD1 LEU 8 17.843 -2.269 -8.212 37 HD13 LEU 8 3HD1 LEU 8 18.431 -0.816 -7.405 38 HD21 LEU 8 1HD2 LEU 8 19.343 -1.895 -4.368 39 HD22 LEU 8 2HD2 LEU 8 17.611 -2.192 -4.211 40 HD23 LEU 8 3HD2 LEU 8 18.186 -0.749 -5.048 41 H GLU 9 H GLU 9 16.365 -4.180 -3.284 42 HA GLU 9 HA GLU 9 14.817 -6.657 -3.587 43 HB2 GLU 9 1HB GLU 9 15.791 -5.435 -1.008 44 HB3 GLU 9 2HB GLU 9 14.444 -6.564 -1.068 45 HG2 GLU 9 1HG GLU 9 17.285 -7.099 -1.898 46 HG3 GLU 9 2HG GLU 9 16.453 -7.737 -0.481 47 H ALA 10 H ALA 10 12.619 -6.460 -2.579 48 HA ALA 10 HA ALA 10 11.621 -3.694 -2.794 49 HB1 ALA 10 1HB ALA 10 9.547 -5.536 -3.422 50 HB2 ALA 10 2HB ALA 10 10.280 -4.304 -4.451 51 HB3 ALA 10 3HB ALA 10 10.961 -5.931 -4.400 52 HA PRO 11 HA PRO 11 9.504 -4.127 1.026 53 HB2 PRO 11 1HB PRO 11 7.017 -3.159 0.525 54 HB3 PRO 11 2HB PRO 11 8.451 -2.128 0.608 55 HG2 PRO 11 1HG PRO 11 7.042 -3.222 -1.796 56 HG3 PRO 11 2HG PRO 11 7.692 -1.594 -1.524 57 HD2 PRO 11 1HD PRO 11 9.001 -3.460 -2.987 58 HD3 PRO 11 2HD PRO 11 9.849 -2.236 -2.020 59 H ARG 12 H ARG 12 8.416 -5.630 2.187 60 HA ARG 12 HA ARG 12 6.471 -7.342 0.810 61 HB2 ARG 12 1HB ARG 12 7.460 -9.351 1.767 62 HB3 ARG 12 2HB ARG 12 8.641 -8.504 0.776 63 HG2 ARG 12 1HG ARG 12 9.644 -7.555 2.805 64 HG3 ARG 12 2HG ARG 12 8.478 -8.450 3.782 65 HD2 ARG 12 1HD ARG 12 10.286 -9.867 3.844 66 HD3 ARG 12 2HD ARG 12 9.401 -10.508 2.460 67 HE ARG 12 HE ARG 12 11.411 -8.524 1.834 68 HH11 ARG 12 2HH1 ARG 12 10.661 -11.905 2.190 69 HH12 ARG 12 1HH1 ARG 12 11.977 -12.435 1.194 70 HH21 ARG 12 2HH2 ARG 12 13.146 -9.209 0.521 71 HH22 ARG 12 1HH2 ARG 12 13.390 -10.901 0.246 72 H ASP 13 H ASP 13 5.391 -8.846 2.493 73 HA ASP 13 HA ASP 13 4.033 -9.045 4.307 74 HB2 ASP 13 1HB ASP 13 6.282 -7.446 5.523 75 HB3 ASP 13 2HB ASP 13 4.897 -7.988 6.466 76 H LEU 14 H LEU 14 3.261 -7.167 2.462 77 HA LEU 14 HA LEU 14 2.480 -4.773 3.937 78 HB2 LEU 14 1HB LEU 14 3.255 -4.278 1.777 79 HB3 LEU 14 2HB LEU 14 2.330 -5.592 1.055 80 HG LEU 14 HG LEU 14 0.270 -4.184 1.840 81 HD11 LEU 14 1HD1 LEU 14 0.988 -1.700 1.455 82 HD12 LEU 14 2HD1 LEU 14 2.550 -2.275 2.036 83 HD13 LEU 14 3HD1 LEU 14 1.119 -2.432 3.054 84 HD21 LEU 14 1HD2 LEU 14 1.398 -2.754 -0.405 85 HD22 LEU 14 2HD2 LEU 14 0.024 -3.859 -0.347 86 HD23 LEU 14 3HD2 LEU 14 1.658 -4.493 -0.547 87 H GLU 15 H GLU 15 0.802 -5.147 5.262 88 HA GLU 15 HA GLU 15 -1.634 -6.272 4.059 89 HB2 GLU 15 1HB GLU 15 -0.637 -7.987 5.488 90 HB3 GLU 15 2HB GLU 15 -0.582 -6.855 6.832 91 HG2 GLU 15 1HG GLU 15 -2.442 -8.211 7.239 92 HG3 GLU 15 2HG GLU 15 -3.099 -6.696 6.622 93 H ALA 16 H ALA 16 -3.594 -5.430 4.821 94 HA ALA 16 HA ALA 16 -3.427 -2.716 5.760 95 HB1 ALA 16 1HB ALA 16 -5.129 -2.800 4.272 96 HB2 ALA 16 2HB ALA 16 -5.534 -4.472 4.660 97 HB3 ALA 16 3HB ALA 16 -6.065 -3.167 5.721 98 H LYS 17 H LYS 17 -3.614 -2.018 7.786 99 HA LYS 17 HA LYS 17 -4.811 -3.812 9.791 100 HB2 LYS 17 1HB LYS 17 -2.403 -2.035 10.219 101 HB3 LYS 17 2HB LYS 17 -3.141 -3.092 11.415 102 HG2 LYS 17 1HG LYS 17 -2.626 -4.961 9.678 103 HG3 LYS 17 2HG LYS 17 -1.468 -3.788 9.047 104 HD2 LYS 17 1HD LYS 17 -0.317 -3.690 11.135 105 HD3 LYS 17 2HD LYS 17 -1.579 -4.626 11.939 106 HE2 LYS 17 1HE LYS 17 -1.018 -6.568 10.574 107 HE3 LYS 17 2HE LYS 17 0.218 -5.633 9.734 108 HZ1 LYS 17 1HZ LYS 17 0.939 -7.143 11.644 109 HZ2 LYS 17 2HZ LYS 17 0.293 -5.961 12.667 110 HZ3 LYS 17 3HZ LYS 17 1.556 -5.568 11.613 111 H GLU 18 H GLU 18 -5.514 -2.650 11.780 112 HA GLU 18 HA GLU 18 -7.039 -1.168 12.635 113 HB2 GLU 18 1HB GLU 18 -5.014 0.811 11.575 114 HB3 GLU 18 2HB GLU 18 -6.174 1.098 12.865 115 HG2 GLU 18 1HG GLU 18 -4.194 -1.120 13.109 116 HG3 GLU 18 2HG GLU 18 -3.709 0.543 13.438 117 H VAL 19 H VAL 19 -7.957 -2.010 10.229 118 HA VAL 19 HA VAL 19 -8.543 0.148 8.444 119 HB VAL 19 HB VAL 19 -9.828 -2.578 8.665 120 HG11 VAL 19 1HG1 VAL 19 -10.463 -0.263 7.056 121 HG12 VAL 19 2HG1 VAL 19 -10.040 -1.652 6.053 122 HG13 VAL 19 3HG1 VAL 19 -11.339 -1.782 7.238 123 HG21 VAL 19 1HG2 VAL 19 -8.389 -3.145 6.748 124 HG22 VAL 19 2HG2 VAL 19 -7.619 -1.564 6.877 125 HG23 VAL 19 3HG2 VAL 19 -7.455 -2.734 8.187 126 H THR 20 H THR 20 -10.083 1.630 8.617 127 HA THR 20 HA THR 20 -12.503 1.025 10.158 128 HB THR 20 HB THR 20 -12.260 3.564 10.909 129 HG1 THR 20 1HG THR 20 -10.091 4.065 11.327 130 HG21 THR 20 1HG2 THR 20 -10.560 1.968 12.641 131 HG22 THR 20 2HG2 THR 20 -12.006 1.092 12.137 132 HG23 THR 20 3HG2 THR 20 -12.157 2.650 12.947 133 HA PRO 21 HA PRO 21 -14.685 3.074 6.948 134 HB2 PRO 21 1HB PRO 21 -16.685 4.309 8.305 135 HB3 PRO 21 2HB PRO 21 -16.623 2.559 8.069 136 HG2 PRO 21 1HG PRO 21 -15.827 4.177 10.458 137 HG3 PRO 21 2HG PRO 21 -16.727 2.651 10.390 138 HD2 PRO 21 1HD PRO 21 -14.089 2.761 10.991 139 HD3 PRO 21 2HD PRO 21 -14.816 1.390 10.129 140 H ARG 22 H ARG 22 -12.894 4.779 9.174 141 HA ARG 22 HA ARG 22 -13.492 7.352 7.868 142 HB2 ARG 22 1HB ARG 22 -12.644 6.688 10.669 143 HB3 ARG 22 2HB ARG 22 -12.295 8.271 9.988 144 HG2 ARG 22 1HG ARG 22 -15.077 7.254 9.798 145 HG3 ARG 22 2HG ARG 22 -14.489 7.802 11.370 146 HD2 ARG 22 1HD ARG 22 -14.150 9.483 8.910 147 HD3 ARG 22 2HD ARG 22 -15.656 9.504 9.826 148 HE ARG 22 HE ARG 22 -13.756 9.936 11.713 149 HH11 ARG 22 2HH1 ARG 22 -14.522 11.440 8.668 150 HH12 ARG 22 1HH1 ARG 22 -13.953 13.004 9.150 151 HH21 ARG 22 2HH2 ARG 22 -13.004 11.990 12.358 152 HH22 ARG 22 1HH2 ARG 22 -13.089 13.316 11.248 153 H THR 23 H THR 23 -11.038 5.052 8.767 154 HA THR 23 HA THR 23 -9.194 6.213 6.883 155 HB THR 23 HB THR 23 -7.343 6.536 8.434 156 HG1 THR 23 1HG THR 23 -7.941 6.537 10.751 157 HG21 THR 23 1HG2 THR 23 -8.128 8.547 9.568 158 HG22 THR 23 2HG2 THR 23 -9.801 8.038 9.343 159 HG23 THR 23 3HG2 THR 23 -8.810 8.450 7.945 160 H ALA 24 H ALA 24 -7.041 4.931 6.974 161 HA ALA 24 HA ALA 24 -7.311 2.220 7.965 162 HB1 ALA 24 1HB ALA 24 -8.164 2.788 5.372 163 HB2 ALA 24 2HB ALA 24 -6.572 2.050 5.184 164 HB3 ALA 24 3HB ALA 24 -7.841 1.198 6.065 165 H LEU 25 H LEU 25 -5.391 1.500 8.625 166 HA LEU 25 HA LEU 25 -2.997 2.970 7.787 167 HB2 LEU 25 1HB LEU 25 -3.448 2.854 10.184 168 HB3 LEU 25 2HB LEU 25 -3.437 1.093 10.106 169 HG LEU 25 HG LEU 25 -0.992 1.463 9.218 170 HD11 LEU 25 1HD1 LEU 25 -1.219 3.865 10.995 171 HD12 LEU 25 2HD1 LEU 25 -1.421 3.993 9.249 172 HD13 LEU 25 3HD1 LEU 25 0.098 3.397 9.919 173 HD21 LEU 25 1HD2 LEU 25 -1.901 0.429 11.408 174 HD22 LEU 25 2HD2 LEU 25 -1.417 1.959 12.140 175 HD23 LEU 25 3HD2 LEU 25 -0.216 0.944 11.340 176 H LEU 26 H LEU 26 -1.401 2.044 6.647 177 HA LEU 26 HA LEU 26 -1.594 -0.851 6.131 178 HB2 LEU 26 1HB LEU 26 -1.101 1.459 4.332 179 HB3 LEU 26 2HB LEU 26 -0.252 -0.047 3.987 180 HG LEU 26 HG LEU 26 -3.217 -0.081 4.354 181 HD11 LEU 26 1HD1 LEU 26 -3.143 0.133 1.730 182 HD12 LEU 26 2HD1 LEU 26 -1.714 1.105 2.080 183 HD13 LEU 26 3HD1 LEU 26 -3.276 1.555 2.764 184 HD21 LEU 26 1HD2 LEU 26 -2.880 -1.849 2.534 185 HD22 LEU 26 2HD2 LEU 26 -2.302 -2.223 4.158 186 HD23 LEU 26 3HD2 LEU 26 -1.161 -1.721 2.909 187 H THR 27 H THR 27 0.031 -1.961 6.968 188 HA THR 27 HA THR 27 2.593 -0.598 7.438 189 HB THR 27 HB THR 27 3.086 -2.319 9.079 190 HG1 THR 27 1HG THR 27 0.518 -3.400 8.473 191 HG21 THR 27 1HG2 THR 27 1.068 -1.946 10.623 192 HG22 THR 27 2HG2 THR 27 0.411 -0.971 9.309 193 HG23 THR 27 3HG2 THR 27 1.942 -0.522 10.060 194 H TRP 28 H TRP 28 4.523 -1.478 6.743 195 HA TRP 28 HA TRP 28 4.509 -3.987 5.275 196 HB2 TRP 28 1HB TRP 28 5.280 -3.107 3.211 197 HB3 TRP 28 2HB TRP 28 3.894 -2.119 3.663 198 HD1 TRP 28 HD TRP 28 7.728 -1.957 3.441 199 HE1 TRP 28 1HE TRP 28 8.432 0.517 3.369 200 HE3 TRP 28 3HE TRP 28 3.172 0.209 4.272 201 HZ2 TRP 28 2HZ TRP 28 7.218 3.052 3.631 202 HZ3 TRP 28 3HZ TRP 28 3.030 2.664 4.348 203 HH2 TRP 28 HH TRP 28 5.012 4.054 4.034 204 H THR 29 H THR 29 6.656 -4.765 4.780 205 HA THR 29 HA THR 29 8.592 -3.863 6.768 206 HB THR 29 HB THR 29 8.554 -6.319 5.005 207 HG1 THR 29 1HG THR 29 7.161 -5.937 7.052 208 HG21 THR 29 1HG2 THR 29 10.762 -5.076 6.261 209 HG22 THR 29 2HG2 THR 29 10.704 -6.656 5.479 210 HG23 THR 29 3HG2 THR 29 10.368 -6.513 7.204 211 H GLU 30 H GLU 30 9.977 -2.335 6.165 212 HA GLU 30 HA GLU 30 10.581 -1.724 3.463 213 HB2 GLU 30 1HB GLU 30 11.521 -0.784 6.127 214 HB3 GLU 30 2HB GLU 30 12.535 -0.432 4.734 215 HG2 GLU 30 1HG GLU 30 10.301 0.436 3.698 216 HG3 GLU 30 2HG GLU 30 9.801 0.549 5.385 217 HA PRO 31 HA PRO 31 13.822 -4.576 2.607 218 HB2 PRO 31 1HB PRO 31 15.088 -3.207 0.633 219 HB3 PRO 31 2HB PRO 31 13.531 -4.010 0.399 220 HG2 PRO 31 1HG PRO 31 14.111 -1.121 0.926 221 HG3 PRO 31 2HG PRO 31 12.965 -1.841 -0.219 222 HD2 PRO 31 1HD PRO 31 12.196 -0.839 2.176 223 HD3 PRO 31 2HD PRO 31 11.379 -2.216 1.410 224 HA PRO 32 HA PRO 32 17.555 -3.431 4.629 225 HB2 PRO 32 1HB PRO 32 19.476 -4.580 3.093 226 HB3 PRO 32 2HB PRO 32 18.382 -5.513 4.121 227 HG2 PRO 32 1HG PRO 32 18.234 -4.998 1.176 228 HG3 PRO 32 2HG PRO 32 17.950 -6.506 2.063 229 HD2 PRO 32 1HD PRO 32 15.931 -4.933 1.179 230 HD3 PRO 32 2HD PRO 32 15.811 -5.896 2.666 231 H VAL 33 H VAL 33 16.993 -2.383 1.421 232 HA VAL 33 HA VAL 33 19.135 -0.373 1.681 233 HB VAL 33 HB VAL 33 18.055 -1.571 -0.874 234 HG11 VAL 33 1HG1 VAL 33 19.159 0.953 -0.459 235 HG12 VAL 33 2HG1 VAL 33 20.475 -0.018 -1.122 236 HG13 VAL 33 3HG1 VAL 33 18.952 0.124 -2.001 237 HG21 VAL 33 1HG2 VAL 33 19.483 -3.179 0.046 238 HG22 VAL 33 2HG2 VAL 33 20.510 -2.285 -1.075 239 HG23 VAL 33 3HG2 VAL 33 20.607 -1.964 0.657 240 H ARG 34 H ARG 34 17.775 1.135 2.674 241 HA ARG 34 HA ARG 34 15.235 1.891 2.076 242 HB2 ARG 34 1HB ARG 34 16.922 2.858 3.798 243 HB3 ARG 34 2HB ARG 34 17.319 4.004 2.525 244 HG2 ARG 34 1HG ARG 34 15.167 4.935 2.539 245 HG3 ARG 34 2HG ARG 34 14.500 3.583 3.455 246 HD2 ARG 34 1HD ARG 34 16.395 5.710 4.435 247 HD3 ARG 34 2HD ARG 34 14.724 5.448 4.936 248 HE ARG 34 HE ARG 34 16.020 3.107 5.523 249 HH11 ARG 34 2HH1 ARG 34 16.415 6.458 6.380 250 HH12 ARG 34 1HH1 ARG 34 17.094 6.115 7.936 251 HH21 ARG 34 2HH2 ARG 34 16.912 2.642 7.570 252 HH22 ARG 34 1HH2 ARG 34 17.377 3.944 8.612 253 HA PRO 35 HA PRO 35 15.513 3.111 -2.200 254 HB2 PRO 35 1HB PRO 35 12.904 3.816 -2.456 255 HB3 PRO 35 2HB PRO 35 13.449 2.134 -2.451 256 HG2 PRO 35 1HG PRO 35 12.268 3.748 -0.224 257 HG3 PRO 35 2HG PRO 35 11.929 2.072 -0.693 258 HD2 PRO 35 1HD PRO 35 13.555 2.705 1.378 259 HD3 PRO 35 2HD PRO 35 13.804 1.261 0.375 260 H ALA 36 H ALA 36 15.380 5.043 -3.417 261 HA ALA 36 HA ALA 36 16.116 7.384 -2.109 262 HB1 ALA 36 1HB ALA 36 16.585 8.015 -4.183 263 HB2 ALA 36 2HB ALA 36 15.817 6.539 -4.771 264 HB3 ALA 36 3HB ALA 36 14.874 8.021 -4.611 265 H GLY 37 H GLY 37 12.935 6.336 -3.261 266 HA2 GLY 37 1HA GLY 37 11.663 8.143 -1.385 267 HA3 GLY 37 2HA GLY 37 11.374 8.520 -3.076 268 H TYR 38 H TYR 38 9.164 8.069 -1.802 269 HA TYR 38 HA TYR 38 8.403 5.334 -2.572 270 HB2 TYR 38 1HB TYR 38 7.980 6.727 0.024 271 HB3 TYR 38 2HB TYR 38 6.668 5.720 -0.578 272 HD1 TYR 38 2HD TYR 38 8.057 3.481 -1.814 273 HD2 TYR 38 1HD TYR 38 8.963 5.574 1.778 274 HE1 TYR 38 2HE TYR 38 9.189 1.480 -0.940 275 HE2 TYR 38 1HE TYR 38 10.098 3.579 2.661 276 HH TYR 38 HH TYR 38 9.692 0.628 1.637 277 H LEU 39 H LEU 39 6.567 5.162 -3.733 278 HA LEU 39 HA LEU 39 4.921 7.585 -4.051 279 HB2 LEU 39 1HB LEU 39 6.488 6.808 -5.988 280 HB3 LEU 39 2HB LEU 39 5.241 5.591 -6.253 281 HG LEU 39 HG LEU 39 3.676 7.732 -6.267 282 HD11 LEU 39 1HD1 LEU 39 5.759 9.083 -7.753 283 HD12 LEU 39 2HD1 LEU 39 6.164 8.929 -6.044 284 HD13 LEU 39 3HD1 LEU 39 4.658 9.709 -6.526 285 HD21 LEU 39 1HD2 LEU 39 3.514 7.428 -8.524 286 HD22 LEU 39 2HD2 LEU 39 4.384 5.957 -8.087 287 HD23 LEU 39 3HD2 LEU 39 5.260 7.336 -8.752 288 H LEU 40 H LEU 40 3.251 7.014 -2.728 289 HA LEU 40 HA LEU 40 1.991 4.402 -3.084 290 HB2 LEU 40 1HB LEU 40 2.461 5.251 -0.809 291 HB3 LEU 40 2HB LEU 40 1.360 6.594 -1.111 292 HG LEU 40 HG LEU 40 -0.416 4.763 -1.497 293 HD11 LEU 40 1HD1 LEU 40 1.634 3.051 -1.314 294 HD12 LEU 40 2HD1 LEU 40 -0.021 2.627 -0.878 295 HD13 LEU 40 3HD1 LEU 40 1.131 3.085 0.377 296 HD21 LEU 40 1HD2 LEU 40 0.063 4.544 1.311 297 HD22 LEU 40 2HD2 LEU 40 -1.136 5.518 0.460 298 HD23 LEU 40 3HD2 LEU 40 0.471 6.174 0.775 299 H SER 41 H SER 41 0.269 4.138 -4.333 300 HA SER 41 HA SER 41 -1.437 6.471 -4.899 301 HB2 SER 41 1HB SER 41 -0.063 6.027 -6.866 302 HB3 SER 41 2HB SER 41 -0.557 4.334 -6.857 303 HG SER 41 HG SER 41 -1.884 5.304 -8.299 304 H PHE 42 H PHE 42 -3.431 6.155 -4.198 305 HA PHE 42 HA PHE 42 -4.488 3.404 -4.148 306 HB2 PHE 42 1HB PHE 42 -5.642 3.854 -2.147 307 HB3 PHE 42 2HB PHE 42 -4.059 4.587 -1.908 308 HD1 PHE 42 1HD PHE 42 -7.619 5.222 -2.459 309 HD2 PHE 42 2HD PHE 42 -3.800 6.979 -1.795 310 HE1 PHE 42 1HE PHE 42 -8.701 7.373 -1.952 311 HE2 PHE 42 2HE PHE 42 -4.875 9.132 -1.285 312 HZ PHE 42 HZ PHE 42 -7.329 9.331 -1.363 313 H HIS 43 H HIS 43 -6.127 3.051 -5.478 314 HA HIS 43 HA HIS 43 -7.821 5.333 -6.263 315 HB2 HIS 43 1HB HIS 43 -7.880 4.618 -8.466 316 HB3 HIS 43 2HB HIS 43 -6.229 4.204 -8.011 317 HD1 HIS 43 1HD HIS 43 -7.048 1.563 -6.437 318 HD2 HIS 43 2HD HIS 43 -8.172 2.575 -10.306 319 HE1 HIS 43 1HE HIS 43 -7.594 -0.615 -7.570 320 HE2 HIS 43 2HE HIS 43 -8.190 0.015 -9.934 321 H THR 44 H THR 44 -10.036 4.778 -6.862 322 HA THR 44 HA THR 44 -11.064 2.644 -5.136 323 HB THR 44 HB THR 44 -13.036 3.815 -4.915 324 HG1 THR 44 1HG THR 44 -14.002 4.623 -6.612 325 HG21 THR 44 1HG2 THR 44 -10.867 5.194 -4.333 326 HG22 THR 44 2HG2 THR 44 -12.466 5.931 -4.217 327 HG23 THR 44 3HG2 THR 44 -11.452 6.240 -5.626 328 HA PRO 45 HA PRO 45 -12.224 0.083 -8.518 329 HB2 PRO 45 1HB PRO 45 -14.332 -1.222 -7.412 330 HB3 PRO 45 2HB PRO 45 -12.656 -1.544 -6.955 331 HG2 PRO 45 1HG PRO 45 -14.705 0.143 -5.571 332 HG3 PRO 45 2HG PRO 45 -13.546 -1.005 -4.876 333 HD2 PRO 45 1HD PRO 45 -13.138 1.672 -4.852 334 HD3 PRO 45 2HD PRO 45 -11.806 0.504 -4.966 335 H GLY 46 H GLY 46 -12.914 2.024 -9.761 336 HA2 GLY 46 1HA GLY 46 -14.839 2.104 -11.363 337 HA3 GLY 46 2HA GLY 46 -15.860 2.188 -9.935 338 H GLY 47 H GLY 47 -13.387 3.920 -8.927 339 HA2 GLY 47 1HA GLY 47 -14.559 6.429 -9.935 340 HA3 GLY 47 2HA GLY 47 -13.729 6.245 -8.397 341 H GLN 48 H GLN 48 -12.130 7.724 -8.610 342 HA GLN 48 HA GLN 48 -10.388 7.514 -10.971 343 HB2 GLN 48 1HB GLN 48 -9.683 9.768 -10.541 344 HB3 GLN 48 2HB GLN 48 -11.441 9.730 -10.503 345 HG2 GLN 48 1HG GLN 48 -11.305 9.599 -8.015 346 HG3 GLN 48 2HG GLN 48 -9.567 9.860 -8.156 347 HE21 GLN 48 1HE2 GLN 48 -10.077 11.731 -6.800 348 HE22 GLN 48 2HE2 GLN 48 -10.577 13.197 -7.566 349 H THR 49 H THR 49 -8.052 8.395 -10.293 350 HA THR 49 HA THR 49 -7.209 6.757 -7.992 351 HB THR 49 HB THR 49 -5.686 7.343 -10.538 352 HG1 THR 49 1HG THR 49 -6.601 5.551 -11.168 353 HG21 THR 49 1HG2 THR 49 -4.066 5.658 -9.546 354 HG22 THR 49 2HG2 THR 49 -4.893 5.912 -8.009 355 HG23 THR 49 3HG2 THR 49 -4.076 7.257 -8.804 356 H GLN 50 H GLN 50 -5.547 7.538 -6.662 357 HA GLN 50 HA GLN 50 -4.791 10.350 -7.051 358 HB2 GLN 50 1HB GLN 50 -6.592 10.352 -5.433 359 HB3 GLN 50 2HB GLN 50 -5.795 9.098 -4.492 360 HG2 GLN 50 1HG GLN 50 -5.389 11.087 -3.337 361 HG3 GLN 50 2HG GLN 50 -3.887 10.735 -4.191 362 HE21 GLN 50 1HE2 GLN 50 -3.400 12.984 -3.899 363 HE22 GLN 50 2HE2 GLN 50 -4.063 14.158 -4.980 364 H GLU 51 H GLU 51 -2.673 10.685 -6.892 365 HA GLU 51 HA GLU 51 -1.002 8.527 -5.825 366 HB2 GLU 51 1HB GLU 51 -0.471 10.811 -7.709 367 HB3 GLU 51 2HB GLU 51 0.847 9.929 -6.951 368 HG2 GLU 51 1HG GLU 51 0.037 7.854 -7.945 369 HG3 GLU 51 2HG GLU 51 -1.291 8.733 -8.701 370 H ILE 52 H ILE 52 0.612 8.896 -4.299 371 HA ILE 52 HA ILE 52 0.628 11.524 -2.992 372 HB ILE 52 HB ILE 52 0.399 8.890 -1.532 373 HG12 ILE 52 1HG1 ILE 52 -1.542 11.197 -1.481 374 HG13 ILE 52 2HG1 ILE 52 -1.688 9.878 -2.637 375 HG21 ILE 52 1HG2 ILE 52 0.067 11.323 0.021 376 HG22 ILE 52 2HG2 ILE 52 1.057 9.900 0.344 377 HG23 ILE 52 3HG2 ILE 52 1.673 11.186 -0.693 378 HD11 ILE 52 1HD1 ILE 52 -1.414 8.614 -0.189 379 HD12 ILE 52 2HD1 ILE 52 -2.460 9.996 0.138 380 HD13 ILE 52 3HD1 ILE 52 -2.901 8.831 -1.110 381 H LEU 53 H LEU 53 2.626 12.263 -2.746 382 HA LEU 53 HA LEU 53 4.881 10.507 -3.210 383 HB2 LEU 53 1HB LEU 53 4.606 12.863 -4.133 384 HB3 LEU 53 2HB LEU 53 4.989 13.427 -2.508 385 HG LEU 53 HG LEU 53 6.888 11.570 -3.860 386 HD11 LEU 53 1HD1 LEU 53 7.614 13.010 -5.407 387 HD12 LEU 53 2HD1 LEU 53 7.436 14.398 -4.336 388 HD13 LEU 53 3HD1 LEU 53 6.040 13.784 -5.222 389 HD21 LEU 53 1HD2 LEU 53 8.508 12.747 -2.547 390 HD22 LEU 53 2HD2 LEU 53 7.155 12.319 -1.500 391 HD23 LEU 53 3HD2 LEU 53 7.323 13.972 -2.093 392 H LEU 54 H LEU 54 5.298 9.235 -1.481 393 HA LEU 54 HA LEU 54 5.051 10.067 1.218 394 HB2 LEU 54 1HB LEU 54 6.219 7.714 -0.185 395 HB3 LEU 54 2HB LEU 54 6.621 7.975 1.511 396 HG LEU 54 HG LEU 54 4.697 6.385 0.972 397 HD11 LEU 54 1HD1 LEU 54 4.075 8.675 2.825 398 HD12 LEU 54 2HD1 LEU 54 5.212 7.381 3.200 399 HD13 LEU 54 3HD1 LEU 54 3.507 7.010 2.945 400 HD21 LEU 54 1HD2 LEU 54 2.510 7.479 0.668 401 HD22 LEU 54 2HD2 LEU 54 3.582 7.715 -0.712 402 HD23 LEU 54 3HD2 LEU 54 3.333 9.023 0.445 403 HA PRO 55 HA PRO 55 8.854 12.091 2.049 404 HB2 PRO 55 1HB PRO 55 9.405 11.231 4.565 405 HB3 PRO 55 2HB PRO 55 8.109 12.377 4.204 406 HG2 PRO 55 1HG PRO 55 7.950 9.426 4.680 407 HG3 PRO 55 2HG PRO 55 6.892 10.715 5.282 408 HD2 PRO 55 1HD PRO 55 6.228 9.152 3.173 409 HD3 PRO 55 2HD PRO 55 5.716 10.847 3.304 410 H GLY 56 H GLY 56 8.688 8.643 2.114 411 HA2 GLY 56 1HA GLY 56 10.262 7.071 1.514 412 HA3 GLY 56 2HA GLY 56 11.353 8.391 1.121 413 H GLY 57 H GLY 57 10.110 6.403 3.761 414 HA2 GLY 57 1HA GLY 57 12.337 5.664 5.009 415 HA3 GLY 57 2HA GLY 57 12.223 7.336 5.540 416 H ILE 58 H ILE 58 9.504 5.168 4.981 417 HA ILE 58 HA ILE 58 9.074 4.987 7.880 418 HB ILE 58 HB ILE 58 6.793 5.599 7.750 419 HG12 ILE 58 1HG1 ILE 58 7.120 5.705 4.743 420 HG13 ILE 58 2HG1 ILE 58 6.261 4.457 5.639 421 HG21 ILE 58 1HG2 ILE 58 7.982 7.575 7.914 422 HG22 ILE 58 2HG2 ILE 58 8.640 7.435 6.284 423 HG23 ILE 58 3HG2 ILE 58 6.949 7.877 6.518 424 HD11 ILE 58 1HD1 ILE 58 5.500 7.319 5.212 425 HD12 ILE 58 2HD1 ILE 58 4.588 5.856 4.836 426 HD13 ILE 58 3HD1 ILE 58 4.797 6.359 6.513 427 H THR 59 H THR 59 7.135 3.446 8.300 428 HA THR 59 HA THR 59 7.439 1.118 6.517 429 HB THR 59 HB THR 59 6.756 -0.207 8.611 430 HG1 THR 59 1HG THR 59 6.942 0.808 10.541 431 HG21 THR 59 1HG2 THR 59 8.914 -0.764 8.639 432 HG22 THR 59 2HG2 THR 59 9.345 0.776 9.383 433 HG23 THR 59 3HG2 THR 59 9.247 0.642 7.628 434 H SER 60 H SER 60 5.246 3.274 8.075 435 HA SER 60 HA SER 60 3.016 1.981 6.705 436 HB2 SER 60 1HB SER 60 1.581 2.137 8.719 437 HB3 SER 60 2HB SER 60 2.936 1.032 8.955 438 HG SER 60 HG SER 60 3.947 3.154 9.804 439 H HIS 61 H HIS 61 1.342 3.370 6.149 440 HA HIS 61 HA HIS 61 1.778 6.218 6.759 441 HB2 HIS 61 1HB HIS 61 2.380 5.377 4.371 442 HB3 HIS 61 2HB HIS 61 0.636 5.316 4.131 443 HD1 HIS 61 1HD HIS 61 0.560 7.228 2.450 444 HD2 HIS 61 2HD HIS 61 2.291 8.287 6.075 445 HE1 HIS 61 1HE HIS 61 0.770 9.733 2.388 446 HE2 HIS 61 2HE HIS 61 1.898 10.344 4.556 447 H GLN 62 H GLN 62 -0.015 7.447 7.177 448 HA GLN 62 HA GLN 62 -2.489 5.956 7.622 449 HB2 GLN 62 1HB GLN 62 -1.472 7.317 9.460 450 HB3 GLN 62 2HB GLN 62 -1.794 8.759 8.507 451 HG2 GLN 62 1HG GLN 62 -3.454 8.185 10.331 452 HG3 GLN 62 2HG GLN 62 -4.109 8.533 8.731 453 HE21 GLN 62 1HE2 GLN 62 -4.963 6.850 7.497 454 HE22 GLN 62 2HE2 GLN 62 -5.409 5.337 8.201 455 H LEU 63 H LEU 63 -3.845 5.935 5.952 456 HA LEU 63 HA LEU 63 -3.924 8.112 4.050 457 HB2 LEU 63 1HB LEU 63 -5.454 5.527 4.256 458 HB3 LEU 63 2HB LEU 63 -5.692 6.703 2.965 459 HG LEU 63 HG LEU 63 -3.003 5.471 3.481 460 HD11 LEU 63 1HD1 LEU 63 -5.285 4.349 1.873 461 HD12 LEU 63 2HD1 LEU 63 -4.395 3.573 3.182 462 HD13 LEU 63 3HD1 LEU 63 -3.602 3.876 1.636 463 HD21 LEU 63 1HD2 LEU 63 -3.237 5.888 0.821 464 HD22 LEU 63 2HD2 LEU 63 -2.567 7.064 1.952 465 HD23 LEU 63 3HD2 LEU 63 -4.252 7.188 1.445 466 H LEU 64 H LEU 64 -5.696 9.438 3.622 467 HA LEU 64 HA LEU 64 -7.839 9.432 5.636 468 HB2 LEU 64 1HB LEU 64 -6.269 11.800 4.637 469 HB3 LEU 64 2HB LEU 64 -7.774 11.933 5.545 470 HG LEU 64 HG LEU 64 -5.281 10.610 6.606 471 HD11 LEU 64 1HD1 LEU 64 -6.002 13.424 6.379 472 HD12 LEU 64 2HD1 LEU 64 -4.453 12.676 6.764 473 HD13 LEU 64 3HD1 LEU 64 -5.652 12.922 8.033 474 HD21 LEU 64 1HD2 LEU 64 -7.420 9.896 7.607 475 HD22 LEU 64 2HD2 LEU 64 -7.772 11.578 8.004 476 HD23 LEU 64 3HD2 LEU 64 -6.392 10.767 8.746 477 H GLY 65 H GLY 65 -9.779 10.644 4.951 478 HA2 GLY 65 1HA GLY 65 -11.398 11.226 3.418 479 HA3 GLY 65 2HA GLY 65 -10.126 11.378 2.215 480 H LEU 66 H LEU 66 -11.514 8.694 4.113 481 HA LEU 66 HA LEU 66 -11.619 7.126 1.628 482 HB2 LEU 66 1HB LEU 66 -11.791 6.094 4.450 483 HB3 LEU 66 2HB LEU 66 -11.561 5.154 2.977 484 HG LEU 66 HG LEU 66 -9.571 6.992 4.300 485 HD11 LEU 66 1HD1 LEU 66 -9.061 4.140 3.649 486 HD12 LEU 66 2HD1 LEU 66 -10.100 4.507 5.026 487 HD13 LEU 66 3HD1 LEU 66 -8.451 5.128 4.977 488 HD21 LEU 66 1HD2 LEU 66 -8.041 6.182 2.479 489 HD22 LEU 66 2HD2 LEU 66 -9.293 7.311 1.962 490 HD23 LEU 66 3HD2 LEU 66 -9.474 5.586 1.639 491 H PHE 67 H PHE 67 -13.418 5.321 1.867 492 HA PHE 67 HA PHE 67 -15.909 6.692 2.644 493 HB2 PHE 67 1HB PHE 67 -15.385 4.855 0.302 494 HB3 PHE 67 2HB PHE 67 -16.993 5.367 0.802 495 HD1 PHE 67 2HD PHE 67 -16.519 8.193 1.470 496 HD2 PHE 67 1HD PHE 67 -15.076 5.842 -1.771 497 HE1 PHE 67 2HE PHE 67 -16.298 10.224 0.100 498 HE2 PHE 67 1HE PHE 67 -14.852 7.869 -3.147 499 HZ PHE 67 HZ PHE 67 -15.464 10.064 -2.212 500 HA PRO 68 HA PRO 68 -16.821 3.289 5.271 501 HB2 PRO 68 1HB PRO 68 -19.533 3.399 5.262 502 HB3 PRO 68 2HB PRO 68 -18.527 4.576 6.113 503 HG2 PRO 68 1HG PRO 68 -19.854 4.801 3.439 504 HG3 PRO 68 2HG PRO 68 -19.745 6.003 4.739 505 HD2 PRO 68 1HD PRO 68 -18.140 6.064 2.559 506 HD3 PRO 68 2HD PRO 68 -17.603 6.623 4.156 507 H SER 69 H SER 69 -16.562 1.229 4.699 508 HA SER 69 HA SER 69 -16.898 -0.812 3.749 509 HB2 SER 69 1HB SER 69 -19.265 -0.430 4.415 510 HB3 SER 69 2HB SER 69 -19.559 0.316 2.845 511 HG SER 69 HG SER 69 -18.726 -2.358 3.313 512 H THR 70 H THR 70 -15.485 1.172 2.318 513 HA THR 70 HA THR 70 -16.175 0.497 -0.468 514 HB THR 70 HB THR 70 -14.757 2.938 0.611 515 HG1 THR 70 1HG THR 70 -17.216 2.627 0.479 516 HG21 THR 70 1HG2 THR 70 -15.074 3.507 -1.983 517 HG22 THR 70 2HG2 THR 70 -14.857 1.761 -2.109 518 HG23 THR 70 3HG2 THR 70 -13.612 2.752 -1.348 519 H SER 71 H SER 71 -14.822 -0.845 -1.447 520 HA SER 71 HA SER 71 -12.378 -1.673 -0.238 521 HB2 SER 71 1HB SER 71 -13.826 -3.163 -1.624 522 HB3 SER 71 2HB SER 71 -13.357 -2.234 -3.048 523 HG SER 71 HG SER 71 -11.352 -3.289 -1.402 524 H TYR 72 H TYR 72 -10.305 -1.139 -0.695 525 HA TYR 72 HA TYR 72 -9.834 0.797 -2.860 526 HB2 TYR 72 1HB TYR 72 -8.985 0.956 0.018 527 HB3 TYR 72 2HB TYR 72 -8.056 1.767 -1.238 528 HD1 TYR 72 2HD TYR 72 -8.985 3.673 -2.438 529 HD2 TYR 72 1HD TYR 72 -11.198 1.732 0.634 530 HE1 TYR 72 2HE TYR 72 -10.526 5.588 -2.345 531 HE2 TYR 72 1HE TYR 72 -12.745 3.641 0.735 532 HH TYR 72 HH TYR 72 -12.114 6.608 -0.948 533 H ASN 73 H ASN 73 -7.694 0.809 -3.726 534 HA ASN 73 HA ASN 73 -6.150 -1.630 -3.138 535 HB2 ASN 73 1HB ASN 73 -7.507 -1.494 -5.373 536 HB3 ASN 73 2HB ASN 73 -6.199 -0.434 -5.888 537 HD21 ASN 73 1HD2 ASN 73 -4.358 -1.310 -6.581 538 HD22 ASN 73 2HD2 ASN 73 -3.975 -2.994 -6.521 539 H ALA 74 H ALA 74 -4.435 -0.878 -2.043 540 HA ALA 74 HA ALA 74 -3.140 1.600 -2.874 541 HB1 ALA 74 1HB ALA 74 -3.355 1.551 -0.563 542 HB2 ALA 74 2HB ALA 74 -2.922 -0.156 -0.459 543 HB3 ALA 74 3HB ALA 74 -1.684 1.047 -0.818 544 H ARG 75 H ARG 75 -0.786 1.673 -3.104 545 HA ARG 75 HA ARG 75 0.514 -0.834 -3.821 546 HB2 ARG 75 1HB ARG 75 -0.510 -0.138 -5.916 547 HB3 ARG 75 2HB ARG 75 0.194 1.465 -5.756 548 HG2 ARG 75 1HG ARG 75 2.448 0.420 -5.878 549 HG3 ARG 75 2HG ARG 75 1.659 -1.122 -6.213 550 HD2 ARG 75 1HD ARG 75 2.345 -0.112 -8.290 551 HD3 ARG 75 2HD ARG 75 0.585 -0.101 -8.190 552 HE ARG 75 HE ARG 75 1.831 2.323 -7.262 553 HH11 ARG 75 2HH1 ARG 75 0.567 0.609 -10.016 554 HH12 ARG 75 1HH1 ARG 75 0.264 2.046 -10.936 555 HH21 ARG 75 2HH2 ARG 75 1.436 4.222 -8.463 556 HH22 ARG 75 1HH2 ARG 75 0.760 4.100 -10.051 557 H LEU 76 H LEU 76 2.627 -0.839 -3.315 558 HA LEU 76 HA LEU 76 3.812 1.715 -2.457 559 HB2 LEU 76 1HB LEU 76 3.459 -0.281 -0.844 560 HB3 LEU 76 2HB LEU 76 4.854 -0.978 -1.665 561 HG LEU 76 HG LEU 76 6.109 1.131 -1.022 562 HD11 LEU 76 1HD1 LEU 76 5.045 2.786 -0.006 563 HD12 LEU 76 2HD1 LEU 76 4.557 1.702 1.296 564 HD13 LEU 76 3HD1 LEU 76 3.536 1.882 -0.131 565 HD21 LEU 76 1HD2 LEU 76 5.133 -0.920 0.929 566 HD22 LEU 76 2HD2 LEU 76 6.253 0.346 1.432 567 HD23 LEU 76 3HD2 LEU 76 6.711 -0.780 0.153 568 H GLN 77 H GLN 77 5.037 2.512 -4.045 569 HA GLN 77 HA GLN 77 6.945 0.690 -5.353 570 HB2 GLN 77 1HB GLN 77 4.931 1.747 -6.713 571 HB3 GLN 77 2HB GLN 77 6.003 3.140 -6.770 572 HG2 GLN 77 1HG GLN 77 7.768 1.449 -7.607 573 HG3 GLN 77 2HG GLN 77 6.376 0.423 -7.951 574 HE21 GLN 77 1HE2 GLN 77 7.039 0.583 -10.170 575 HE22 GLN 77 2HE2 GLN 77 6.595 1.967 -11.104 576 H ALA 78 H ALA 78 8.988 1.182 -4.946 577 HA ALA 78 HA ALA 78 9.630 3.865 -3.952 578 HB1 ALA 78 1HB ALA 78 10.771 2.711 -2.434 579 HB2 ALA 78 2HB ALA 78 10.552 1.205 -3.326 580 HB3 ALA 78 3HB ALA 78 11.902 2.271 -3.714 581 H MET 79 H MET 79 11.213 5.141 -4.869 582 HA MET 79 HA MET 79 11.787 4.587 -7.658 583 HB2 MET 79 1HB MET 79 12.627 7.004 -6.059 584 HB3 MET 79 2HB MET 79 12.499 6.865 -7.807 585 HG2 MET 79 1HG MET 79 10.040 6.524 -7.512 586 HG3 MET 79 2HG MET 79 10.258 6.913 -5.807 587 HE1 MET 79 1HE MET 79 10.674 9.600 -4.943 588 HE2 MET 79 2HE MET 79 9.396 10.428 -5.833 589 HE3 MET 79 3HE MET 79 9.142 8.782 -5.253 590 H TRP 80 H TRP 80 13.585 3.627 -8.315 591 HA TRP 80 HA TRP 80 15.983 3.817 -6.612 592 HB2 TRP 80 1HB TRP 80 14.764 1.487 -8.028 593 HB3 TRP 80 2HB TRP 80 16.517 1.552 -7.873 594 HD1 TRP 80 HD TRP 80 17.521 1.467 -5.351 595 HE1 TRP 80 1HE TRP 80 16.547 0.462 -3.191 596 HE3 TRP 80 3HE TRP 80 12.628 1.066 -6.778 597 HZ2 TRP 80 2HZ TRP 80 14.036 -0.389 -2.221 598 HZ3 TRP 80 3HZ TRP 80 11.004 0.146 -5.175 599 HH2 TRP 80 HH TRP 80 11.695 -0.566 -2.944 600 H GLY 81 H GLY 81 18.038 3.747 -7.722 601 HA2 GLY 81 1HA GLY 81 18.475 5.549 -9.661 602 HA3 GLY 81 2HA GLY 81 19.472 4.110 -9.511 603 H GLN 82 H GLN 82 17.415 5.840 -11.515 604 HA GLN 82 HA GLN 82 16.232 5.326 -13.427 605 HB2 GLN 82 1HB GLN 82 18.933 4.040 -13.743 606 HB3 GLN 82 2HB GLN 82 17.761 4.052 -15.054 607 HG2 GLN 82 1HG GLN 82 17.704 6.625 -14.556 608 HG3 GLN 82 2HG GLN 82 19.286 6.302 -13.849 609 HE21 GLN 82 1HE2 GLN 82 20.808 6.863 -15.220 610 HE22 GLN 82 2HE2 GLN 82 20.815 6.559 -16.920 611 H SER 83 H SER 83 15.305 3.681 -11.439 612 HA SER 83 HA SER 83 14.382 1.427 -12.971 613 HB2 SER 83 1HB SER 83 16.184 1.040 -10.584 614 HB3 SER 83 2HB SER 83 15.042 -0.201 -11.099 615 HG SER 83 HG SER 83 17.271 -0.284 -11.978 616 H LEU 84 H LEU 84 12.548 0.412 -12.052 617 HA LEU 84 HA LEU 84 11.441 1.722 -9.665 618 HB2 LEU 84 1HB LEU 84 10.037 1.222 -12.282 619 HB3 LEU 84 2HB LEU 84 9.205 1.651 -10.788 620 HG LEU 84 HG LEU 84 11.297 3.408 -12.053 621 HD11 LEU 84 1HD1 LEU 84 9.688 3.347 -13.729 622 HD12 LEU 84 2HD1 LEU 84 9.214 4.741 -12.759 623 HD13 LEU 84 3HD1 LEU 84 8.355 3.211 -12.581 624 HD21 LEU 84 1HD2 LEU 84 11.070 4.272 -9.973 625 HD22 LEU 84 2HD2 LEU 84 9.468 3.574 -9.736 626 HD23 LEU 84 3HD2 LEU 84 9.659 5.037 -10.704 627 H LEU 85 H LEU 85 12.280 -0.299 -8.711 628 HA LEU 85 HA LEU 85 11.728 -2.863 -9.210 629 HB2 LEU 85 1HB LEU 85 11.279 -1.565 -6.527 630 HB3 LEU 85 2HB LEU 85 11.565 -3.281 -6.809 631 HG LEU 85 HG LEU 85 13.526 -1.026 -7.217 632 HD11 LEU 85 1HD1 LEU 85 14.038 -3.348 -5.452 633 HD12 LEU 85 2HD1 LEU 85 12.884 -2.140 -4.888 634 HD13 LEU 85 3HD1 LEU 85 14.534 -1.663 -5.288 635 HD21 LEU 85 1HD2 LEU 85 13.549 -3.875 -8.082 636 HD22 LEU 85 2HD2 LEU 85 15.056 -3.137 -7.539 637 HD23 LEU 85 3HD2 LEU 85 14.173 -2.441 -8.898 638 HA PRO 86 HA PRO 86 7.404 -3.586 -9.455 639 HB2 PRO 86 1HB PRO 86 7.254 -6.127 -8.511 640 HB3 PRO 86 2HB PRO 86 7.924 -5.729 -10.098 641 HG2 PRO 86 1HG PRO 86 9.350 -6.295 -7.527 642 HG3 PRO 86 2HG PRO 86 9.732 -6.856 -9.165 643 HD2 PRO 86 1HD PRO 86 11.036 -4.794 -7.990 644 HD3 PRO 86 2HD PRO 86 10.755 -4.873 -9.742 645 HA PRO 87 HA PRO 87 6.221 -2.431 -5.258 646 HB2 PRO 87 1HB PRO 87 3.784 -1.466 -5.968 647 HB3 PRO 87 2HB PRO 87 5.279 -0.544 -6.170 648 HG2 PRO 87 1HG PRO 87 3.743 -2.129 -8.192 649 HG3 PRO 87 2HG PRO 87 4.496 -0.532 -8.359 650 HD2 PRO 87 1HD PRO 87 5.651 -2.794 -9.301 651 HD3 PRO 87 2HD PRO 87 6.597 -1.419 -8.694 652 H VAL 88 H VAL 88 4.023 -2.774 -4.066 653 HA VAL 88 HA VAL 88 2.989 -5.448 -4.753 654 HB VAL 88 HB VAL 88 2.586 -5.542 -2.160 655 HG11 VAL 88 1HG1 VAL 88 5.444 -5.938 -2.841 656 HG12 VAL 88 2HG1 VAL 88 4.301 -7.033 -2.060 657 HG13 VAL 88 3HG1 VAL 88 4.251 -6.803 -3.809 658 HG21 VAL 88 1HG2 VAL 88 4.234 -4.411 -0.841 659 HG22 VAL 88 2HG2 VAL 88 5.016 -3.762 -2.282 660 HG23 VAL 88 3HG2 VAL 88 3.405 -3.208 -1.828 661 H SER 89 H SER 89 0.890 -5.456 -5.178 662 HA SER 89 HA SER 89 -0.761 -3.226 -4.234 663 HB2 SER 89 1HB SER 89 -2.298 -3.776 -5.990 664 HB3 SER 89 2HB SER 89 -0.679 -3.818 -6.689 665 HG SER 89 HG SER 89 -0.747 -5.996 -6.753 666 H THR 90 H THR 90 -2.325 -3.480 -2.766 667 HA THR 90 HA THR 90 -3.249 -6.193 -2.123 668 HB THR 90 HB THR 90 -1.479 -5.457 -0.488 669 HG1 THR 90 1HG THR 90 -3.288 -6.937 -0.005 670 HG21 THR 90 1HG2 THR 90 -1.875 -3.717 1.046 671 HG22 THR 90 2HG2 THR 90 -3.574 -3.586 0.588 672 HG23 THR 90 3HG2 THR 90 -2.317 -3.039 -0.521 673 H SER 91 H SER 91 -5.366 -6.352 -1.441 674 HA SER 91 HA SER 91 -6.962 -3.903 -1.756 675 HB2 SER 91 1HB SER 91 -8.850 -5.388 -2.259 676 HB3 SER 91 2HB SER 91 -7.489 -5.724 -3.329 677 HG SER 91 HG SER 91 -7.001 -7.348 -1.505 678 H PHE 92 H PHE 92 -8.296 -3.195 -0.172 679 HA PHE 92 HA PHE 92 -8.804 -4.873 2.154 680 HB2 PHE 92 1HB PHE 92 -7.999 -3.234 3.744 681 HB3 PHE 92 2HB PHE 92 -6.692 -3.653 2.641 682 HD1 PHE 92 1HD PHE 92 -6.149 -2.075 0.758 683 HD2 PHE 92 2HD PHE 92 -8.723 -1.021 3.979 684 HE1 PHE 92 1HE PHE 92 -5.830 0.307 0.229 685 HE2 PHE 92 2HE PHE 92 -8.410 1.362 3.455 686 HZ PHE 92 HZ PHE 92 -6.962 2.029 1.578 687 H THR 93 H THR 93 -10.713 -4.433 3.160 688 HA THR 93 HA THR 93 -12.345 -2.302 1.955 689 HB THR 93 HB THR 93 -13.278 -4.777 3.423 690 HG1 THR 93 1HG THR 93 -13.871 -5.470 1.312 691 HG21 THR 93 1HG2 THR 93 -15.148 -3.543 3.647 692 HG22 THR 93 2HG2 THR 93 -15.376 -3.876 1.930 693 HG23 THR 93 3HG2 THR 93 -14.630 -2.364 2.443 694 H THR 94 H THR 94 -13.320 -0.778 3.197 695 HA THR 94 HA THR 94 -12.366 -0.484 5.910 696 HB THR 94 HB THR 94 -13.591 1.681 5.863 697 HG1 THR 94 1HG THR 94 -14.901 2.154 4.241 698 HG21 THR 94 1HG2 THR 94 -12.213 2.070 3.389 699 HG22 THR 94 2HG2 THR 94 -11.307 0.923 4.377 700 HG23 THR 94 3HG2 THR 94 -11.708 2.516 5.018 701 H GLY 95 H GLY 95 -13.852 0.083 7.687 702 HA2 GLY 95 1HA GLY 95 -15.926 -1.882 7.909 703 HA3 GLY 95 2HA GLY 95 -15.484 -0.692 9.124 704 H GLY 96 H GLY 96 -17.762 -0.442 9.526 705 HA2 GLY 96 1HA GLY 96 -19.053 1.284 7.504 706 HA3 GLY 96 2HA GLY 96 -19.952 0.077 8.411 707 H LEU 97 H LEU 97 -20.015 3.126 8.192 708 HA LEU 97 HA LEU 97 -19.250 4.262 10.632 709 HB2 LEU 97 1HB LEU 97 -21.362 4.976 8.624 710 HB3 LEU 97 2HB LEU 97 -21.117 5.929 10.086 711 HG LEU 97 HG LEU 97 -19.020 5.451 7.969 712 HD11 LEU 97 1HD1 LEU 97 -19.772 8.166 8.155 713 HD12 LEU 97 2HD1 LEU 97 -21.252 7.221 7.989 714 HD13 LEU 97 3HD1 LEU 97 -19.969 7.067 6.789 715 HD21 LEU 97 1HD2 LEU 97 -17.864 7.306 9.148 716 HD22 LEU 97 2HD2 LEU 97 -18.021 5.841 10.118 717 HD23 LEU 97 3HD2 LEU 97 -19.088 7.214 10.413 718 H ARG 98 H ARG 98 -19.822 2.678 12.214 719 HA ARG 98 HA ARG 98 -22.577 3.001 13.146 720 HB2 ARG 98 1HB ARG 98 -22.379 0.846 11.865 721 HB3 ARG 98 2HB ARG 98 -21.210 0.309 13.064 722 HG2 ARG 98 1HG ARG 98 -22.794 0.064 14.704 723 HG3 ARG 98 2HG ARG 98 -23.885 1.245 13.976 724 HD2 ARG 98 1HD ARG 98 -24.592 -0.278 12.322 725 HD3 ARG 98 2HD ARG 98 -23.264 -1.386 12.665 726 HE ARG 98 HE ARG 98 -24.939 -1.038 14.936 727 HH11 ARG 98 2HH1 ARG 98 -24.727 -2.656 11.861 728 HH12 ARG 98 1HH1 ARG 98 -25.760 -3.965 12.331 729 HH21 ARG 98 2HH2 ARG 98 -26.300 -2.756 15.567 730 HH22 ARG 98 1HH2 ARG 98 -26.655 -4.021 14.439 731 H ILE 99 H ILE 99 -22.216 4.072 14.992 732 HA ILE 99 HA ILE 99 -20.164 3.017 16.825 733 HB ILE 99 HB ILE 99 -21.286 5.819 16.703 734 HG12 ILE 99 1HG1 ILE 99 -18.751 6.237 16.173 735 HG13 ILE 99 2HG1 ILE 99 -18.775 4.552 15.665 736 HG21 ILE 99 1HG2 ILE 99 -20.369 4.610 18.919 737 HG22 ILE 99 2HG2 ILE 99 -18.851 5.211 18.253 738 HG23 ILE 99 3HG2 ILE 99 -20.168 6.333 18.598 739 HD11 ILE 99 1HD1 ILE 99 -19.576 6.844 14.221 740 HD12 ILE 99 2HD1 ILE 99 -19.596 5.156 13.708 741 HD13 ILE 99 3HD1 ILE 99 -21.008 5.854 14.502 742 H SER 100 H SER 100 -20.775 2.302 18.773 743 HA SER 100 HA SER 100 -23.603 2.628 19.516 744 HB2 SER 100 1HB SER 100 -22.875 0.299 19.150 745 HB3 SER 100 2HB SER 100 -21.634 0.497 20.387 746 HG SER 100 HG SER 100 -23.709 1.208 21.643 747 H GLY 101 H GLY 101 -20.396 2.287 21.049 748 HA2 GLY 101 1HA GLY 101 -21.253 4.290 23.036 749 HA3 GLY 101 2HA GLY 101 -20.507 2.787 23.558 750 HA PRO 102 HA PRO 102 -17.173 5.504 21.278 751 HB2 PRO 102 1HB PRO 102 -17.727 8.162 21.262 752 HB3 PRO 102 2HB PRO 102 -18.188 7.077 19.945 753 HG2 PRO 102 1HG PRO 102 -19.845 8.117 22.211 754 HG3 PRO 102 2HG PRO 102 -20.270 7.953 20.497 755 HD2 PRO 102 1HD PRO 102 -21.066 6.169 22.373 756 HD3 PRO 102 2HD PRO 102 -20.721 5.701 20.695 757 H SER 103 H SER 103 -19.044 7.022 23.886 758 HA SER 103 HA SER 103 -16.603 7.874 25.222 759 HB2 SER 103 1HB SER 103 -18.157 8.913 26.863 760 HB3 SER 103 2HB SER 103 -18.463 9.441 25.208 761 HG SER 103 HG SER 103 -20.033 7.931 26.909 762 H SER 104 H SER 104 -15.903 5.610 25.497 763 HA SER 104 HA SER 104 -17.279 3.753 27.085 764 HB2 SER 104 1HB SER 104 -14.278 4.032 26.818 765 HB3 SER 104 2HB SER 104 -15.167 2.579 27.273 766 HG SER 104 HG SER 104 -15.295 2.169 25.228 767 H GLY 105 H GLY 105 -18.126 4.685 28.931 768 HA2 GLY 105 1HA GLY 105 -18.164 5.493 31.083 769 HA3 GLY 105 2HA GLY 105 -16.675 4.579 31.276 Start of MODEL 2 1 H1 GLY 1 H GLY 1 23.962 -17.602 -15.268 2 HA2 GLY 1 1HA GLY 1 22.652 -15.709 -15.886 3 HA3 GLY 1 2HA GLY 1 22.091 -16.133 -14.276 4 H SER 2 H SER 2 21.573 -13.666 -14.811 5 HA SER 2 HA SER 2 23.242 -12.167 -13.031 6 HB2 SER 2 1HB SER 2 24.082 -10.521 -14.518 7 HB3 SER 2 2HB SER 2 24.440 -12.067 -15.287 8 HG SER 2 HG SER 2 23.009 -11.661 -16.816 9 H SER 3 H SER 3 22.417 -9.918 -12.746 10 HA SER 3 HA SER 3 19.506 -9.960 -12.876 11 HB2 SER 3 1HB SER 3 20.721 -9.418 -10.743 12 HB3 SER 3 2HB SER 3 21.290 -7.935 -11.508 13 HG SER 3 HG SER 3 18.944 -8.405 -10.322 14 H GLY 4 H GLY 4 22.184 -7.783 -13.749 15 HA2 GLY 4 1HA GLY 4 21.740 -6.950 -16.163 16 HA3 GLY 4 2HA GLY 4 20.318 -6.239 -15.415 17 H SER 5 H SER 5 20.563 -4.511 -13.959 18 HA SER 5 HA SER 5 23.239 -3.283 -13.930 19 HB2 SER 5 1HB SER 5 20.593 -2.064 -14.651 20 HB3 SER 5 2HB SER 5 21.865 -1.059 -13.957 21 HG SER 5 HG SER 5 21.919 -2.544 -16.365 22 H SER 6 H SER 6 20.001 -2.927 -12.473 23 HA SER 6 HA SER 6 21.308 -2.757 -9.841 24 HB2 SER 6 1HB SER 6 19.284 -0.922 -11.065 25 HB3 SER 6 2HB SER 6 19.249 -1.191 -9.322 26 HG SER 6 HG SER 6 21.281 -0.048 -10.903 27 H GLY 7 H GLY 7 20.806 -4.731 -9.049 28 HA2 GLY 7 1HA GLY 7 17.981 -5.573 -9.172 29 HA3 GLY 7 2HA GLY 7 19.344 -6.668 -8.993 30 H LEU 8 H LEU 8 17.337 -4.291 -7.372 31 HA LEU 8 HA LEU 8 18.497 -5.050 -4.789 32 HB2 LEU 8 1HB LEU 8 16.501 -2.871 -5.365 33 HB3 LEU 8 2HB LEU 8 17.411 -3.116 -3.876 34 HG LEU 8 HG LEU 8 19.462 -2.774 -5.541 35 HD11 LEU 8 1HD1 LEU 8 18.841 -0.905 -7.101 36 HD12 LEU 8 2HD1 LEU 8 17.153 -1.338 -6.830 37 HD13 LEU 8 3HD1 LEU 8 18.255 -2.503 -7.564 38 HD21 LEU 8 1HD2 LEU 8 19.306 -0.312 -4.950 39 HD22 LEU 8 2HD2 LEU 8 19.248 -1.451 -3.605 40 HD23 LEU 8 3HD2 LEU 8 17.763 -0.696 -4.188 41 H GLU 9 H GLU 9 16.763 -5.040 -2.960 42 HA GLU 9 HA GLU 9 14.818 -7.072 -3.691 43 HB2 GLU 9 1HB GLU 9 15.966 -6.054 -1.127 44 HB3 GLU 9 2HB GLU 9 14.417 -6.885 -1.089 45 HG2 GLU 9 1HG GLU 9 16.810 -8.096 -2.421 46 HG3 GLU 9 2HG GLU 9 16.533 -8.256 -0.688 47 H ALA 10 H ALA 10 12.588 -6.947 -3.086 48 HA ALA 10 HA ALA 10 11.571 -4.186 -3.127 49 HB1 ALA 10 1HB ALA 10 10.998 -6.264 -4.817 50 HB2 ALA 10 2HB ALA 10 9.641 -6.302 -3.691 51 HB3 ALA 10 3HB ALA 10 10.003 -4.826 -4.586 52 HA PRO 11 HA PRO 11 9.681 -4.565 0.815 53 HB2 PRO 11 1HB PRO 11 7.332 -3.253 0.452 54 HB3 PRO 11 2HB PRO 11 8.892 -2.426 0.531 55 HG2 PRO 11 1HG PRO 11 7.277 -3.199 -1.868 56 HG3 PRO 11 2HG PRO 11 8.147 -1.688 -1.545 57 HD2 PRO 11 1HD PRO 11 9.149 -3.632 -3.141 58 HD3 PRO 11 2HD PRO 11 10.183 -2.583 -2.150 59 H ARG 12 H ARG 12 8.450 -5.981 1.938 60 HA ARG 12 HA ARG 12 6.298 -7.393 0.516 61 HB2 ARG 12 1HB ARG 12 7.010 -9.512 1.394 62 HB3 ARG 12 2HB ARG 12 8.383 -8.767 0.585 63 HG2 ARG 12 1HG ARG 12 8.040 -8.384 3.520 64 HG3 ARG 12 2HG ARG 12 8.672 -9.914 2.907 65 HD2 ARG 12 1HD ARG 12 9.826 -7.310 1.987 66 HD3 ARG 12 2HD ARG 12 10.322 -8.013 3.526 67 HE ARG 12 HE ARG 12 10.494 -9.915 1.423 68 HH11 ARG 12 2HH1 ARG 12 12.098 -7.148 2.798 69 HH12 ARG 12 1HH1 ARG 12 13.668 -7.612 2.229 70 HH21 ARG 12 2HH2 ARG 12 12.555 -10.536 0.669 71 HH22 ARG 12 1HH2 ARG 12 13.926 -9.539 1.017 72 H ASP 13 H ASP 13 5.174 -8.905 2.299 73 HA ASP 13 HA ASP 13 3.792 -8.970 4.105 74 HB2 ASP 13 1HB ASP 13 6.012 -7.274 5.245 75 HB3 ASP 13 2HB ASP 13 4.620 -7.781 6.197 76 H LEU 14 H LEU 14 2.993 -7.277 2.139 77 HA LEU 14 HA LEU 14 2.310 -4.706 3.295 78 HB2 LEU 14 1HB LEU 14 2.925 -4.846 0.941 79 HB3 LEU 14 2HB LEU 14 1.583 -5.950 0.646 80 HG LEU 14 HG LEU 14 -0.008 -4.170 1.121 81 HD11 LEU 14 1HD1 LEU 14 2.453 -2.735 1.944 82 HD12 LEU 14 2HD1 LEU 14 0.834 -2.703 2.640 83 HD13 LEU 14 3HD1 LEU 14 1.177 -1.800 1.165 84 HD21 LEU 14 1HD2 LEU 14 1.774 -4.283 -1.078 85 HD22 LEU 14 2HD2 LEU 14 1.458 -2.583 -0.728 86 HD23 LEU 14 3HD2 LEU 14 0.115 -3.685 -1.039 87 H GLU 15 H GLU 15 0.899 -5.101 4.967 88 HA GLU 15 HA GLU 15 -1.713 -6.217 4.185 89 HB2 GLU 15 1HB GLU 15 -0.401 -7.705 5.724 90 HB3 GLU 15 2HB GLU 15 -0.471 -6.429 6.930 91 HG2 GLU 15 1HG GLU 15 -2.158 -8.230 7.225 92 HG3 GLU 15 2HG GLU 15 -2.833 -6.607 7.102 93 H ALA 16 H ALA 16 -3.557 -5.278 5.149 94 HA ALA 16 HA ALA 16 -3.159 -2.484 5.890 95 HB1 ALA 16 1HB ALA 16 -5.039 -2.117 4.769 96 HB2 ALA 16 2HB ALA 16 -5.060 -3.827 4.336 97 HB3 ALA 16 3HB ALA 16 -5.920 -3.270 5.772 98 H LYS 17 H LYS 17 -3.470 -1.692 7.878 99 HA LYS 17 HA LYS 17 -4.808 -3.391 9.873 100 HB2 LYS 17 1HB LYS 17 -2.278 -1.790 10.297 101 HB3 LYS 17 2HB LYS 17 -3.151 -2.661 11.550 102 HG2 LYS 17 1HG LYS 17 -2.780 -4.733 10.073 103 HG3 LYS 17 2HG LYS 17 -1.557 -3.750 9.264 104 HD2 LYS 17 1HD LYS 17 -0.431 -3.393 11.410 105 HD3 LYS 17 2HD LYS 17 -1.654 -4.378 12.216 106 HE2 LYS 17 1HE LYS 17 -0.975 -6.324 10.971 107 HE3 LYS 17 2HE LYS 17 0.140 -5.363 10.001 108 HZ1 LYS 17 1HZ LYS 17 1.651 -5.258 11.670 109 HZ2 LYS 17 2HZ LYS 17 0.936 -6.733 12.089 110 HZ3 LYS 17 3HZ LYS 17 0.492 -5.316 12.901 111 H GLU 18 H GLU 18 -5.538 -2.166 11.801 112 HA GLU 18 HA GLU 18 -6.897 -0.551 12.661 113 HB2 GLU 18 1HB GLU 18 -4.828 1.224 11.353 114 HB3 GLU 18 2HB GLU 18 -6.004 1.760 12.545 115 HG2 GLU 18 1HG GLU 18 -3.702 -0.124 12.929 116 HG3 GLU 18 2HG GLU 18 -3.982 1.435 13.702 117 H VAL 19 H VAL 19 -7.729 -1.577 10.167 118 HA VAL 19 HA VAL 19 -8.471 0.466 8.347 119 HB VAL 19 HB VAL 19 -9.712 -2.258 8.759 120 HG11 VAL 19 1HG1 VAL 19 -10.079 -1.616 6.138 121 HG12 VAL 19 2HG1 VAL 19 -11.295 -1.428 7.402 122 HG13 VAL 19 3HG1 VAL 19 -10.301 -0.052 6.923 123 HG21 VAL 19 1HG2 VAL 19 -8.127 -3.158 7.412 124 HG22 VAL 19 2HG2 VAL 19 -7.929 -1.681 6.470 125 HG23 VAL 19 3HG2 VAL 19 -7.167 -1.824 8.054 126 H THR 20 H THR 20 -10.152 1.826 8.328 127 HA THR 20 HA THR 20 -12.486 1.305 9.994 128 HB THR 20 HB THR 20 -12.264 3.875 10.648 129 HG1 THR 20 1HG THR 20 -10.028 3.631 9.504 130 HG21 THR 20 1HG2 THR 20 -12.381 2.832 12.615 131 HG22 THR 20 2HG2 THR 20 -10.628 2.642 12.565 132 HG23 THR 20 3HG2 THR 20 -11.673 1.369 11.933 133 HA PRO 21 HA PRO 21 -14.706 3.193 6.712 134 HB2 PRO 21 1HB PRO 21 -16.752 4.392 8.032 135 HB3 PRO 21 2HB PRO 21 -16.632 2.640 7.835 136 HG2 PRO 21 1HG PRO 21 -15.901 4.336 10.191 137 HG3 PRO 21 2HG PRO 21 -16.751 2.780 10.153 138 HD2 PRO 21 1HD PRO 21 -14.121 2.988 10.763 139 HD3 PRO 21 2HD PRO 21 -14.799 1.575 9.928 140 H ARG 22 H ARG 22 -12.933 4.985 8.852 141 HA ARG 22 HA ARG 22 -13.612 7.511 7.493 142 HB2 ARG 22 1HB ARG 22 -12.754 6.972 10.324 143 HB3 ARG 22 2HB ARG 22 -12.520 8.553 9.590 144 HG2 ARG 22 1HG ARG 22 -14.957 8.638 9.127 145 HG3 ARG 22 2HG ARG 22 -15.133 7.125 10.018 146 HD2 ARG 22 1HD ARG 22 -13.854 9.569 11.214 147 HD3 ARG 22 2HD ARG 22 -15.590 9.275 11.296 148 HE ARG 22 HE ARG 22 -15.215 7.603 12.840 149 HH11 ARG 22 2HH1 ARG 22 -12.198 8.659 11.462 150 HH12 ARG 22 1HH1 ARG 22 -11.224 7.813 12.619 151 HH21 ARG 22 2HH2 ARG 22 -13.944 6.485 14.368 152 HH22 ARG 22 1HH2 ARG 22 -12.218 6.576 14.271 153 H THR 23 H THR 23 -11.072 5.384 8.630 154 HA THR 23 HA THR 23 -9.225 6.594 6.740 155 HB THR 23 HB THR 23 -7.401 6.736 8.433 156 HG1 THR 23 1HG THR 23 -7.908 6.584 10.594 157 HG21 THR 23 1HG2 THR 23 -8.799 8.705 7.704 158 HG22 THR 23 2HG2 THR 23 -8.022 8.876 9.278 159 HG23 THR 23 3HG2 THR 23 -9.739 8.487 9.180 160 H ALA 24 H ALA 24 -6.959 5.339 7.147 161 HA ALA 24 HA ALA 24 -7.213 2.607 7.939 162 HB1 ALA 24 1HB ALA 24 -6.501 2.268 5.239 163 HB2 ALA 24 2HB ALA 24 -7.958 1.700 6.056 164 HB3 ALA 24 3HB ALA 24 -7.952 3.271 5.255 165 H LEU 25 H LEU 25 -5.246 1.704 8.294 166 HA LEU 25 HA LEU 25 -2.898 3.256 7.420 167 HB2 LEU 25 1HB LEU 25 -3.060 3.440 9.766 168 HB3 LEU 25 2HB LEU 25 -3.436 1.728 9.950 169 HG LEU 25 HG LEU 25 -0.995 1.474 8.930 170 HD11 LEU 25 1HD1 LEU 25 -0.631 3.969 10.541 171 HD12 LEU 25 2HD1 LEU 25 -0.919 4.053 8.804 172 HD13 LEU 25 3HD1 LEU 25 0.486 3.186 9.423 173 HD21 LEU 25 1HD2 LEU 25 -2.139 1.552 11.585 174 HD22 LEU 25 2HD2 LEU 25 -0.433 2.001 11.600 175 HD23 LEU 25 3HD2 LEU 25 -0.933 0.457 10.908 176 H LEU 26 H LEU 26 -1.218 2.212 6.465 177 HA LEU 26 HA LEU 26 -1.504 -0.696 6.085 178 HB2 LEU 26 1HB LEU 26 -0.884 1.497 4.186 179 HB3 LEU 26 2HB LEU 26 -0.055 -0.042 3.953 180 HG LEU 26 HG LEU 26 -3.031 -0.005 4.212 181 HD11 LEU 26 1HD1 LEU 26 -3.054 1.520 2.531 182 HD12 LEU 26 2HD1 LEU 26 -2.808 0.066 1.564 183 HD13 LEU 26 3HD1 LEU 26 -1.436 1.096 1.971 184 HD21 LEU 26 1HD2 LEU 26 -2.251 -2.174 4.117 185 HD22 LEU 26 2HD2 LEU 26 -0.928 -1.765 3.024 186 HD23 LEU 26 3HD2 LEU 26 -2.583 -1.837 2.417 187 H THR 27 H THR 27 0.165 -1.930 6.670 188 HA THR 27 HA THR 27 2.736 -0.602 7.238 189 HB THR 27 HB THR 27 3.127 -2.151 9.042 190 HG1 THR 27 1HG THR 27 1.133 -3.531 9.553 191 HG21 THR 27 1HG2 THR 27 1.899 -0.208 9.710 192 HG22 THR 27 2HG2 THR 27 1.198 -1.594 10.546 193 HG23 THR 27 3HG2 THR 27 0.382 -0.904 9.142 194 H TRP 28 H TRP 28 4.560 -1.479 6.416 195 HA TRP 28 HA TRP 28 4.419 -4.137 5.187 196 HB2 TRP 28 1HB TRP 28 5.400 -3.390 3.129 197 HB3 TRP 28 2HB TRP 28 3.997 -2.374 3.448 198 HD1 TRP 28 HD TRP 28 7.820 -2.245 3.327 199 HE1 TRP 28 1HE TRP 28 8.557 0.219 3.243 200 HE3 TRP 28 3HE TRP 28 3.284 -0.016 4.093 201 HZ2 TRP 28 2HZ TRP 28 7.372 2.771 3.471 202 HZ3 TRP 28 3HZ TRP 28 3.171 2.441 4.147 203 HH2 TRP 28 HH TRP 28 5.174 3.804 3.843 204 H THR 29 H THR 29 6.691 -4.817 4.439 205 HA THR 29 HA THR 29 8.541 -4.190 6.626 206 HB THR 29 HB THR 29 8.398 -6.526 4.720 207 HG1 THR 29 1HG THR 29 8.399 -7.519 6.990 208 HG21 THR 29 1HG2 THR 29 10.529 -5.899 6.767 209 HG22 THR 29 2HG2 THR 29 10.744 -5.961 5.018 210 HG23 THR 29 3HG2 THR 29 10.359 -7.431 5.912 211 H GLU 30 H GLU 30 10.166 -2.846 6.251 212 HA GLU 30 HA GLU 30 10.827 -1.965 3.614 213 HB2 GLU 30 1HB GLU 30 11.759 -1.342 6.376 214 HB3 GLU 30 2HB GLU 30 12.809 -0.907 5.035 215 HG2 GLU 30 1HG GLU 30 10.763 0.250 4.039 216 HG3 GLU 30 2HG GLU 30 10.046 0.077 5.640 217 HA PRO 31 HA PRO 31 13.868 -4.997 2.607 218 HB2 PRO 31 1HB PRO 31 15.130 -3.635 0.626 219 HB3 PRO 31 2HB PRO 31 13.536 -4.371 0.421 220 HG2 PRO 31 1HG PRO 31 14.245 -1.519 0.992 221 HG3 PRO 31 2HG PRO 31 13.039 -2.168 -0.134 222 HD2 PRO 31 1HD PRO 31 12.380 -1.190 2.304 223 HD3 PRO 31 2HD PRO 31 11.486 -2.517 1.534 224 HA PRO 32 HA PRO 32 17.695 -4.042 4.551 225 HB2 PRO 32 1HB PRO 32 19.522 -5.251 2.948 226 HB3 PRO 32 2HB PRO 32 18.416 -6.151 3.993 227 HG2 PRO 32 1HG PRO 32 18.213 -5.587 1.060 228 HG3 PRO 32 2HG PRO 32 17.887 -7.095 1.935 229 HD2 PRO 32 1HD PRO 32 15.916 -5.423 1.126 230 HD3 PRO 32 2HD PRO 32 15.793 -6.400 2.603 231 H VAL 33 H VAL 33 16.899 -2.681 1.614 232 HA VAL 33 HA VAL 33 19.208 -0.863 1.757 233 HB VAL 33 HB VAL 33 17.989 -1.997 -0.763 234 HG11 VAL 33 1HG1 VAL 33 19.976 -0.596 -1.748 235 HG12 VAL 33 2HG1 VAL 33 18.414 0.159 -1.430 236 HG13 VAL 33 3HG1 VAL 33 19.743 0.366 -0.288 237 HG21 VAL 33 1HG2 VAL 33 19.747 -3.290 0.630 238 HG22 VAL 33 2HG2 VAL 33 19.984 -3.130 -1.110 239 HG23 VAL 33 3HG2 VAL 33 20.881 -2.095 0.001 240 H ARG 34 H ARG 34 18.041 0.733 2.798 241 HA ARG 34 HA ARG 34 15.474 1.590 2.320 242 HB2 ARG 34 1HB ARG 34 17.258 2.376 4.060 243 HB3 ARG 34 2HB ARG 34 17.634 3.599 2.854 244 HG2 ARG 34 1HG ARG 34 15.031 3.983 2.919 245 HG3 ARG 34 2HG ARG 34 15.200 3.259 4.519 246 HD2 ARG 34 1HD ARG 34 17.157 4.970 4.767 247 HD3 ARG 34 2HD ARG 34 16.327 5.814 3.460 248 HE ARG 34 HE ARG 34 14.459 5.189 5.451 249 HH11 ARG 34 2HH1 ARG 34 17.230 7.235 4.945 250 HH12 ARG 34 1HH1 ARG 34 16.696 8.453 6.056 251 HH21 ARG 34 2HH2 ARG 34 13.746 6.785 6.916 252 HH22 ARG 34 1HH2 ARG 34 14.715 8.196 7.177 253 HA PRO 35 HA PRO 35 15.797 3.031 -1.889 254 HB2 PRO 35 1HB PRO 35 13.202 3.799 -2.108 255 HB3 PRO 35 2HB PRO 35 13.716 2.110 -2.203 256 HG2 PRO 35 1HG PRO 35 12.558 3.610 0.115 257 HG3 PRO 35 2HG PRO 35 12.189 1.972 -0.454 258 HD2 PRO 35 1HD PRO 35 13.820 2.449 1.654 259 HD3 PRO 35 2HD PRO 35 14.045 1.064 0.567 260 H ALA 36 H ALA 36 14.756 5.103 -2.999 261 HA ALA 36 HA ALA 36 15.827 7.361 -1.537 262 HB1 ALA 36 1HB ALA 36 15.592 6.668 -4.247 263 HB2 ALA 36 2HB ALA 36 14.602 8.110 -4.017 264 HB3 ALA 36 3HB ALA 36 16.306 8.128 -3.562 265 H GLY 37 H GLY 37 12.713 6.542 -3.075 266 HA2 GLY 37 1HA GLY 37 11.363 8.154 -1.033 267 HA3 GLY 37 2HA GLY 37 11.082 8.560 -2.720 268 H TYR 38 H TYR 38 8.847 8.057 -1.620 269 HA TYR 38 HA TYR 38 8.177 5.309 -2.407 270 HB2 TYR 38 1HB TYR 38 7.678 6.632 0.210 271 HB3 TYR 38 2HB TYR 38 6.394 5.617 -0.438 272 HD1 TYR 38 2HD TYR 38 7.395 3.284 -1.441 273 HD2 TYR 38 1HD TYR 38 9.099 5.602 1.694 274 HE1 TYR 38 2HE TYR 38 8.544 1.282 -0.593 275 HE2 TYR 38 1HE TYR 38 10.254 3.607 2.550 276 HH TYR 38 HH TYR 38 10.387 1.356 2.414 277 H LEU 39 H LEU 39 6.579 5.246 -3.838 278 HA LEU 39 HA LEU 39 4.816 7.595 -4.066 279 HB2 LEU 39 1HB LEU 39 6.129 7.427 -6.028 280 HB3 LEU 39 2HB LEU 39 5.863 5.688 -6.140 281 HG LEU 39 HG LEU 39 3.402 6.279 -6.543 282 HD11 LEU 39 1HD1 LEU 39 3.987 8.775 -7.800 283 HD12 LEU 39 2HD1 LEU 39 4.414 8.868 -6.091 284 HD13 LEU 39 3HD1 LEU 39 2.781 8.405 -6.567 285 HD21 LEU 39 1HD2 LEU 39 4.132 7.089 -8.977 286 HD22 LEU 39 2HD2 LEU 39 4.342 5.428 -8.424 287 HD23 LEU 39 3HD2 LEU 39 5.703 6.549 -8.387 288 H LEU 40 H LEU 40 3.296 6.772 -2.578 289 HA LEU 40 HA LEU 40 2.025 4.224 -3.134 290 HB2 LEU 40 1HB LEU 40 2.448 4.915 -0.824 291 HB3 LEU 40 2HB LEU 40 1.411 6.321 -1.055 292 HG LEU 40 HG LEU 40 -0.423 4.552 -1.583 293 HD11 LEU 40 1HD1 LEU 40 1.752 2.859 -1.041 294 HD12 LEU 40 2HD1 LEU 40 0.067 2.410 -1.301 295 HD13 LEU 40 3HD1 LEU 40 0.654 2.720 0.333 296 HD21 LEU 40 1HD2 LEU 40 -0.569 6.017 0.303 297 HD22 LEU 40 2HD2 LEU 40 0.657 5.098 1.177 298 HD23 LEU 40 3HD2 LEU 40 -0.921 4.379 0.853 299 H SER 41 H SER 41 0.558 4.112 -4.694 300 HA SER 41 HA SER 41 -1.269 6.394 -5.070 301 HB2 SER 41 1HB SER 41 0.225 5.960 -7.005 302 HB3 SER 41 2HB SER 41 -0.438 4.331 -7.126 303 HG SER 41 HG SER 41 -1.635 5.501 -8.517 304 H PHE 42 H PHE 42 -3.196 5.983 -4.228 305 HA PHE 42 HA PHE 42 -4.249 3.237 -4.388 306 HB2 PHE 42 1HB PHE 42 -5.384 3.555 -2.368 307 HB3 PHE 42 2HB PHE 42 -3.849 4.373 -2.097 308 HD1 PHE 42 1HD PHE 42 -7.418 4.888 -2.869 309 HD2 PHE 42 2HD PHE 42 -3.754 6.694 -1.672 310 HE1 PHE 42 1HE PHE 42 -8.628 6.952 -2.293 311 HE2 PHE 42 2HE PHE 42 -4.958 8.760 -1.093 312 HZ PHE 42 HZ PHE 42 -7.398 8.891 -1.402 313 H HIS 43 H HIS 43 -5.945 2.900 -5.659 314 HA HIS 43 HA HIS 43 -7.534 5.229 -6.513 315 HB2 HIS 43 1HB HIS 43 -7.675 4.386 -8.647 316 HB3 HIS 43 2HB HIS 43 -6.093 3.766 -8.183 317 HD1 HIS 43 1HD HIS 43 -7.137 1.360 -6.456 318 HD2 HIS 43 2HD HIS 43 -8.420 2.315 -10.290 319 HE1 HIS 43 1HE HIS 43 -8.049 -0.780 -7.412 320 HE2 HIS 43 2HE HIS 43 -8.741 -0.196 -9.763 321 H THR 44 H THR 44 -9.805 4.872 -6.914 322 HA THR 44 HA THR 44 -10.911 2.749 -5.195 323 HB THR 44 HB THR 44 -11.562 4.767 -4.205 324 HG1 THR 44 1HG THR 44 -13.686 4.486 -4.282 325 HG21 THR 44 1HG2 THR 44 -11.801 5.753 -7.014 326 HG22 THR 44 2HG2 THR 44 -10.988 6.485 -5.631 327 HG23 THR 44 3HG2 THR 44 -12.747 6.531 -5.746 328 HA PRO 45 HA PRO 45 -12.908 0.972 -8.690 329 HB2 PRO 45 1HB PRO 45 -14.995 -0.241 -7.448 330 HB3 PRO 45 2HB PRO 45 -13.335 -0.839 -7.343 331 HG2 PRO 45 1HG PRO 45 -14.880 0.816 -5.385 332 HG3 PRO 45 2HG PRO 45 -13.812 -0.568 -5.083 333 HD2 PRO 45 1HD PRO 45 -13.014 1.995 -4.723 334 HD3 PRO 45 2HD PRO 45 -11.902 0.712 -5.242 335 H GLY 46 H GLY 46 -14.300 3.425 -6.800 336 HA2 GLY 46 1HA GLY 46 -16.414 3.796 -8.829 337 HA3 GLY 46 2HA GLY 46 -16.734 4.043 -7.118 338 H GLY 47 H GLY 47 -13.640 4.981 -8.320 339 HA2 GLY 47 1HA GLY 47 -14.474 7.735 -8.788 340 HA3 GLY 47 2HA GLY 47 -13.439 7.463 -7.394 341 H GLN 48 H GLN 48 -11.811 8.770 -8.309 342 HA GLN 48 HA GLN 48 -10.464 7.605 -10.653 343 HB2 GLN 48 1HB GLN 48 -10.945 9.796 -11.255 344 HB3 GLN 48 2HB GLN 48 -10.690 10.408 -9.626 345 HG2 GLN 48 1HG GLN 48 -8.377 10.412 -9.855 346 HG3 GLN 48 2HG GLN 48 -8.417 9.305 -11.227 347 HE21 GLN 48 1HE2 GLN 48 -7.747 12.348 -10.442 348 HE22 GLN 48 2HE2 GLN 48 -8.164 13.161 -11.908 349 H THR 49 H THR 49 -8.185 7.409 -10.638 350 HA THR 49 HA THR 49 -7.080 6.373 -8.302 351 HB THR 49 HB THR 49 -5.515 7.537 -10.612 352 HG1 THR 49 1HG THR 49 -7.048 5.213 -10.358 353 HG21 THR 49 1HG2 THR 49 -4.815 5.255 -8.767 354 HG22 THR 49 2HG2 THR 49 -4.257 6.912 -8.532 355 HG23 THR 49 3HG2 THR 49 -3.781 6.016 -9.975 356 H GLN 50 H GLN 50 -5.638 7.155 -6.781 357 HA GLN 50 HA GLN 50 -5.206 10.067 -6.773 358 HB2 GLN 50 1HB GLN 50 -6.925 9.653 -5.163 359 HB3 GLN 50 2HB GLN 50 -6.044 8.291 -4.483 360 HG2 GLN 50 1HG GLN 50 -5.726 9.992 -2.940 361 HG3 GLN 50 2HG GLN 50 -4.237 9.994 -3.884 362 HE21 GLN 50 1HE2 GLN 50 -5.824 12.067 -2.317 363 HE22 GLN 50 2HE2 GLN 50 -5.917 13.413 -3.395 364 H GLU 51 H GLU 51 -3.170 10.713 -6.427 365 HA GLU 51 HA GLU 51 -1.195 8.653 -5.725 366 HB2 GLU 51 1HB GLU 51 -1.053 11.160 -7.365 367 HB3 GLU 51 2HB GLU 51 0.409 10.484 -6.660 368 HG2 GLU 51 1HG GLU 51 0.359 8.618 -7.990 369 HG3 GLU 51 2HG GLU 51 -1.383 8.712 -8.242 370 H ILE 52 H ILE 52 0.680 9.367 -4.439 371 HA ILE 52 HA ILE 52 0.284 11.694 -2.748 372 HB ILE 52 HB ILE 52 0.382 8.907 -1.592 373 HG12 ILE 52 1HG1 ILE 52 -1.726 11.057 -1.308 374 HG13 ILE 52 2HG1 ILE 52 -1.836 9.709 -2.435 375 HG21 ILE 52 1HG2 ILE 52 0.043 10.339 0.572 376 HG22 ILE 52 2HG2 ILE 52 1.659 10.075 -0.082 377 HG23 ILE 52 3HG2 ILE 52 0.822 11.597 -0.387 378 HD11 ILE 52 1HD1 ILE 52 -2.258 9.790 0.467 379 HD12 ILE 52 2HD1 ILE 52 -2.984 8.757 -0.764 380 HD13 ILE 52 3HD1 ILE 52 -1.380 8.384 -0.135 381 H LEU 53 H LEU 53 2.159 12.392 -1.715 382 HA LEU 53 HA LEU 53 4.620 11.097 -2.666 383 HB2 LEU 53 1HB LEU 53 4.015 13.545 -3.204 384 HB3 LEU 53 2HB LEU 53 4.461 13.866 -1.530 385 HG LEU 53 HG LEU 53 6.258 14.364 -3.168 386 HD11 LEU 53 1HD1 LEU 53 7.821 13.856 -1.642 387 HD12 LEU 53 2HD1 LEU 53 7.414 12.140 -1.643 388 HD13 LEU 53 3HD1 LEU 53 6.453 13.273 -0.692 389 HD21 LEU 53 1HD2 LEU 53 6.548 11.394 -3.505 390 HD22 LEU 53 2HD2 LEU 53 7.339 12.691 -4.402 391 HD23 LEU 53 3HD2 LEU 53 5.619 12.376 -4.638 392 H LEU 54 H LEU 54 5.452 9.775 -1.185 393 HA LEU 54 HA LEU 54 5.088 10.273 1.645 394 HB2 LEU 54 1HB LEU 54 6.173 8.049 -0.011 395 HB3 LEU 54 2HB LEU 54 6.648 8.151 1.683 396 HG LEU 54 HG LEU 54 4.015 8.311 2.013 397 HD11 LEU 54 1HD1 LEU 54 2.823 7.883 0.196 398 HD12 LEU 54 2HD1 LEU 54 3.571 6.289 0.101 399 HD13 LEU 54 3HD1 LEU 54 4.294 7.654 -0.750 400 HD21 LEU 54 1HD2 LEU 54 4.115 6.159 2.798 401 HD22 LEU 54 2HD2 LEU 54 5.832 6.554 2.713 402 HD23 LEU 54 3HD2 LEU 54 5.084 5.589 1.439 403 HA PRO 55 HA PRO 55 8.927 12.244 2.453 404 HB2 PRO 55 1HB PRO 55 9.478 11.304 4.939 405 HB3 PRO 55 2HB PRO 55 8.205 12.488 4.621 406 HG2 PRO 55 1HG PRO 55 7.984 9.529 5.018 407 HG3 PRO 55 2HG PRO 55 6.960 10.825 5.664 408 HD2 PRO 55 1HD PRO 55 6.244 9.335 3.520 409 HD3 PRO 55 2HD PRO 55 5.772 11.037 3.701 410 H GLY 56 H GLY 56 8.678 8.879 2.126 411 HA2 GLY 56 1HA GLY 56 10.211 7.262 1.573 412 HA3 GLY 56 2HA GLY 56 11.321 8.573 1.202 413 H GLY 57 H GLY 57 10.496 6.093 3.406 414 HA2 GLY 57 1HA GLY 57 12.538 5.387 4.708 415 HA3 GLY 57 2HA GLY 57 12.569 7.047 5.282 416 H ILE 58 H ILE 58 9.732 4.989 4.833 417 HA ILE 58 HA ILE 58 9.394 4.896 7.753 418 HB ILE 58 HB ILE 58 7.188 5.606 7.710 419 HG12 ILE 58 1HG1 ILE 58 7.236 5.011 4.751 420 HG13 ILE 58 2HG1 ILE 58 6.284 4.209 5.996 421 HG21 ILE 58 1HG2 ILE 58 8.893 7.383 7.087 422 HG22 ILE 58 2HG2 ILE 58 8.280 7.243 5.440 423 HG23 ILE 58 3HG2 ILE 58 7.203 7.751 6.741 424 HD11 ILE 58 1HD1 ILE 58 5.936 7.051 5.071 425 HD12 ILE 58 2HD1 ILE 58 4.913 5.681 4.636 426 HD13 ILE 58 3HD1 ILE 58 4.976 6.239 6.308 427 H THR 59 H THR 59 7.404 3.389 8.238 428 HA THR 59 HA THR 59 7.656 0.996 6.534 429 HB THR 59 HB THR 59 7.235 -0.333 8.643 430 HG1 THR 59 1HG THR 59 6.542 1.115 10.124 431 HG21 THR 59 1HG2 THR 59 9.566 -0.197 9.408 432 HG22 THR 59 2HG2 THR 59 9.762 1.319 8.527 433 HG23 THR 59 3HG2 THR 59 9.461 -0.180 7.648 434 H SER 60 H SER 60 5.584 3.252 8.023 435 HA SER 60 HA SER 60 3.260 1.811 7.004 436 HB2 SER 60 1HB SER 60 2.987 3.047 9.713 437 HB3 SER 60 2HB SER 60 2.082 1.716 8.992 438 HG SER 60 HG SER 60 4.296 0.635 9.117 439 H HIS 61 H HIS 61 1.757 3.120 6.118 440 HA HIS 61 HA HIS 61 2.053 6.020 6.548 441 HB2 HIS 61 1HB HIS 61 2.783 4.914 4.254 442 HB3 HIS 61 2HB HIS 61 1.053 4.985 3.932 443 HD1 HIS 61 1HD HIS 61 0.803 6.893 2.365 444 HD2 HIS 61 2HD HIS 61 3.291 7.817 5.562 445 HE1 HIS 61 1HE HIS 61 1.339 9.338 2.115 446 HE2 HIS 61 2HE HIS 61 2.913 9.854 4.012 447 H GLN 62 H GLN 62 0.242 7.127 7.007 448 HA GLN 62 HA GLN 62 -2.241 5.610 7.227 449 HB2 GLN 62 1HB GLN 62 -1.535 6.846 9.196 450 HB3 GLN 62 2HB GLN 62 -1.467 8.339 8.270 451 HG2 GLN 62 1HG GLN 62 -3.473 8.540 9.372 452 HG3 GLN 62 2HG GLN 62 -3.972 7.883 7.815 453 HE21 GLN 62 1HE2 GLN 62 -5.448 6.371 7.980 454 HE22 GLN 62 2HE2 GLN 62 -5.610 5.232 9.269 455 H LEU 63 H LEU 63 -4.083 6.062 6.120 456 HA LEU 63 HA LEU 63 -3.873 8.111 4.016 457 HB2 LEU 63 1HB LEU 63 -5.475 5.560 4.102 458 HB3 LEU 63 2HB LEU 63 -5.585 6.764 2.819 459 HG LEU 63 HG LEU 63 -3.050 5.283 3.498 460 HD11 LEU 63 1HD1 LEU 63 -4.679 3.653 2.807 461 HD12 LEU 63 2HD1 LEU 63 -3.541 3.928 1.488 462 HD13 LEU 63 3HD1 LEU 63 -5.149 4.650 1.430 463 HD21 LEU 63 1HD2 LEU 63 -2.193 6.154 1.495 464 HD22 LEU 63 2HD2 LEU 63 -3.001 7.517 2.270 465 HD23 LEU 63 3HD2 LEU 63 -3.785 6.669 0.937 466 H LEU 64 H LEU 64 -5.577 9.510 3.642 467 HA LEU 64 HA LEU 64 -7.749 9.466 5.631 468 HB2 LEU 64 1HB LEU 64 -6.313 11.890 4.558 469 HB3 LEU 64 2HB LEU 64 -7.691 11.916 5.657 470 HG LEU 64 HG LEU 64 -5.027 10.684 6.342 471 HD11 LEU 64 1HD1 LEU 64 -4.712 12.729 7.730 472 HD12 LEU 64 2HD1 LEU 64 -6.090 13.447 6.895 473 HD13 LEU 64 3HD1 LEU 64 -4.638 13.015 5.991 474 HD21 LEU 64 1HD2 LEU 64 -6.219 11.373 8.667 475 HD22 LEU 64 2HD2 LEU 64 -6.342 9.777 7.927 476 HD23 LEU 64 3HD2 LEU 64 -7.627 10.962 7.688 477 H GLY 65 H GLY 65 -9.745 10.457 4.961 478 HA2 GLY 65 1HA GLY 65 -11.391 11.030 3.450 479 HA3 GLY 65 2HA GLY 65 -10.132 11.303 2.254 480 H LEU 66 H LEU 66 -11.976 8.746 3.874 481 HA LEU 66 HA LEU 66 -11.803 7.183 1.385 482 HB2 LEU 66 1HB LEU 66 -11.850 6.031 4.168 483 HB3 LEU 66 2HB LEU 66 -11.696 5.141 2.655 484 HG LEU 66 HG LEU 66 -9.642 7.036 3.796 485 HD11 LEU 66 1HD1 LEU 66 -9.211 4.112 3.459 486 HD12 LEU 66 2HD1 LEU 66 -10.131 4.679 4.852 487 HD13 LEU 66 3HD1 LEU 66 -8.479 5.240 4.600 488 HD21 LEU 66 1HD2 LEU 66 -9.421 5.176 1.435 489 HD22 LEU 66 2HD2 LEU 66 -8.219 6.334 2.006 490 HD23 LEU 66 3HD2 LEU 66 -9.734 6.907 1.306 491 H PHE 67 H PHE 67 -13.548 5.383 1.426 492 HA PHE 67 HA PHE 67 -16.071 6.641 2.268 493 HB2 PHE 67 1HB PHE 67 -15.486 4.720 0.009 494 HB3 PHE 67 2HB PHE 67 -17.109 5.215 0.480 495 HD1 PHE 67 2HD PHE 67 -16.699 8.079 1.025 496 HD2 PHE 67 1HD PHE 67 -15.196 5.619 -2.107 497 HE1 PHE 67 2HE PHE 67 -16.519 10.052 -0.433 498 HE2 PHE 67 1HE PHE 67 -15.012 7.589 -3.570 499 HZ PHE 67 HZ PHE 67 -15.675 9.809 -2.734 500 HA PRO 68 HA PRO 68 -16.900 3.326 5.029 501 HB2 PRO 68 1HB PRO 68 -19.615 3.339 4.989 502 HB3 PRO 68 2HB PRO 68 -18.660 4.588 5.797 503 HG2 PRO 68 1HG PRO 68 -19.963 4.647 3.103 504 HG3 PRO 68 2HG PRO 68 -19.911 5.908 4.349 505 HD2 PRO 68 1HD PRO 68 -18.285 5.931 2.184 506 HD3 PRO 68 2HD PRO 68 -17.785 6.578 3.760 507 H SER 69 H SER 69 -16.628 1.233 4.610 508 HA SER 69 HA SER 69 -16.841 -0.847 3.714 509 HB2 SER 69 1HB SER 69 -19.216 -0.539 4.397 510 HB3 SER 69 2HB SER 69 -19.561 0.121 2.798 511 HG SER 69 HG SER 69 -19.335 -1.830 1.921 512 H THR 70 H THR 70 -15.540 1.138 2.178 513 HA THR 70 HA THR 70 -16.243 0.327 -0.568 514 HB THR 70 HB THR 70 -14.858 2.840 0.383 515 HG1 THR 70 1HG THR 70 -17.435 2.194 -0.497 516 HG21 THR 70 1HG2 THR 70 -15.562 2.925 -2.378 517 HG22 THR 70 2HG2 THR 70 -14.586 1.484 -2.092 518 HG23 THR 70 3HG2 THR 70 -13.966 3.072 -1.643 519 H SER 71 H SER 71 -14.870 -1.021 -1.509 520 HA SER 71 HA SER 71 -12.432 -1.816 -0.322 521 HB2 SER 71 1HB SER 71 -13.847 -3.237 -1.834 522 HB3 SER 71 2HB SER 71 -13.284 -2.262 -3.192 523 HG SER 71 HG SER 71 -12.035 -4.286 -1.887 524 H TYR 72 H TYR 72 -10.346 -1.262 -0.716 525 HA TYR 72 HA TYR 72 -9.822 0.750 -2.794 526 HB2 TYR 72 1HB TYR 72 -9.200 0.900 0.132 527 HB3 TYR 72 2HB TYR 72 -8.122 1.677 -1.022 528 HD1 TYR 72 2HD TYR 72 -8.952 3.532 -2.435 529 HD2 TYR 72 1HD TYR 72 -11.354 1.814 0.627 530 HE1 TYR 72 2HE TYR 72 -10.437 5.491 -2.509 531 HE2 TYR 72 1HE TYR 72 -12.847 3.767 0.560 532 HH TYR 72 HH TYR 72 -13.477 5.547 -1.089 533 H ASN 73 H ASN 73 -7.927 0.526 -3.882 534 HA ASN 73 HA ASN 73 -6.227 -1.749 -3.100 535 HB2 ASN 73 1HB ASN 73 -7.367 -2.171 -5.202 536 HB3 ASN 73 2HB ASN 73 -6.809 -0.632 -5.850 537 HD21 ASN 73 1HD2 ASN 73 -5.541 -1.240 -7.483 538 HD22 ASN 73 2HD2 ASN 73 -4.167 -2.278 -7.338 539 H ALA 74 H ALA 74 -4.536 -0.898 -2.037 540 HA ALA 74 HA ALA 74 -3.278 1.542 -3.049 541 HB1 ALA 74 1HB ALA 74 -3.882 1.138 -0.581 542 HB2 ALA 74 2HB ALA 74 -2.453 0.104 -0.553 543 HB3 ALA 74 3HB ALA 74 -2.296 1.813 -0.956 544 H ARG 75 H ARG 75 -1.027 1.657 -3.457 545 HA ARG 75 HA ARG 75 0.339 -0.918 -3.819 546 HB2 ARG 75 1HB ARG 75 -0.708 0.042 -5.966 547 HB3 ARG 75 2HB ARG 75 0.542 1.275 -5.868 548 HG2 ARG 75 1HG ARG 75 2.245 -0.535 -5.879 549 HG3 ARG 75 2HG ARG 75 0.941 -1.693 -6.150 550 HD2 ARG 75 1HD ARG 75 1.648 0.627 -7.944 551 HD3 ARG 75 2HD ARG 75 2.046 -1.065 -8.243 552 HE ARG 75 HE ARG 75 -0.749 -0.707 -7.872 553 HH11 ARG 75 2HH1 ARG 75 1.822 -0.298 -10.182 554 HH12 ARG 75 1HH1 ARG 75 0.783 -0.442 -11.561 555 HH21 ARG 75 2HH2 ARG 75 -2.128 -0.898 -9.678 556 HH22 ARG 75 1HH2 ARG 75 -1.464 -0.783 -11.273 557 H LEU 76 H LEU 76 2.494 -0.915 -3.373 558 HA LEU 76 HA LEU 76 3.639 1.645 -2.470 559 HB2 LEU 76 1HB LEU 76 3.288 -0.010 -0.687 560 HB3 LEU 76 2HB LEU 76 4.310 -1.151 -1.559 561 HG LEU 76 HG LEU 76 6.178 0.551 -1.303 562 HD11 LEU 76 1HD1 LEU 76 5.981 2.353 0.093 563 HD12 LEU 76 2HD1 LEU 76 4.647 1.646 1.003 564 HD13 LEU 76 3HD1 LEU 76 4.362 2.315 -0.604 565 HD21 LEU 76 1HD2 LEU 76 6.641 -1.144 0.093 566 HD22 LEU 76 2HD2 LEU 76 4.992 -1.220 0.714 567 HD23 LEU 76 3HD2 LEU 76 6.120 -0.022 1.350 568 H GLN 77 H GLN 77 5.007 2.417 -3.935 569 HA GLN 77 HA GLN 77 6.918 0.550 -5.171 570 HB2 GLN 77 1HB GLN 77 4.983 1.613 -6.630 571 HB3 GLN 77 2HB GLN 77 6.065 3.000 -6.648 572 HG2 GLN 77 1HG GLN 77 7.861 1.461 -7.483 573 HG3 GLN 77 2HG GLN 77 6.615 0.228 -7.668 574 HE21 GLN 77 1HE2 GLN 77 7.533 0.450 -9.919 575 HE22 GLN 77 2HE2 GLN 77 6.749 1.577 -10.968 576 H ALA 78 H ALA 78 8.981 1.055 -4.845 577 HA ALA 78 HA ALA 78 9.609 3.711 -3.761 578 HB1 ALA 78 1HB ALA 78 11.873 2.109 -3.513 579 HB2 ALA 78 2HB ALA 78 10.721 2.527 -2.244 580 HB3 ALA 78 3HB ALA 78 10.516 1.037 -3.165 581 H MET 79 H MET 79 11.078 5.050 -4.708 582 HA MET 79 HA MET 79 11.748 4.500 -7.466 583 HB2 MET 79 1HB MET 79 12.605 6.930 -5.914 584 HB3 MET 79 2HB MET 79 12.318 6.780 -7.643 585 HG2 MET 79 1HG MET 79 9.905 6.438 -7.144 586 HG3 MET 79 2HG MET 79 10.258 6.786 -5.453 587 HE1 MET 79 1HE MET 79 9.527 8.479 -4.605 588 HE2 MET 79 2HE MET 79 10.511 9.935 -4.750 589 HE3 MET 79 3HE MET 79 8.872 9.910 -5.401 590 H TRP 80 H TRP 80 13.552 3.512 -8.058 591 HA TRP 80 HA TRP 80 15.933 3.786 -6.342 592 HB2 TRP 80 1HB TRP 80 14.750 1.404 -7.695 593 HB3 TRP 80 2HB TRP 80 16.503 1.497 -7.558 594 HD1 TRP 80 HD TRP 80 17.491 1.649 -4.988 595 HE1 TRP 80 1HE TRP 80 16.564 0.627 -2.815 596 HE3 TRP 80 3HE TRP 80 12.685 0.769 -6.491 597 HZ2 TRP 80 2HZ TRP 80 14.120 -0.416 -1.865 598 HZ3 TRP 80 3HZ TRP 80 11.115 -0.245 -4.890 599 HH2 TRP 80 HH TRP 80 11.820 -0.824 -2.625 600 H GLY 81 H GLY 81 17.205 5.229 -7.342 601 HA2 GLY 81 1HA GLY 81 18.361 6.315 -9.013 602 HA3 GLY 81 2HA GLY 81 18.705 4.682 -9.565 603 H GLN 82 H GLN 82 17.938 4.063 -11.490 604 HA GLN 82 HA GLN 82 16.068 5.885 -12.842 605 HB2 GLN 82 1HB GLN 82 16.966 4.961 -14.946 606 HB3 GLN 82 2HB GLN 82 18.216 5.704 -13.957 607 HG2 GLN 82 1HG GLN 82 18.632 3.311 -13.090 608 HG3 GLN 82 2HG GLN 82 17.732 2.810 -14.521 609 HE21 GLN 82 1HE2 GLN 82 20.352 5.030 -13.624 610 HE22 GLN 82 2HE2 GLN 82 21.348 4.678 -14.991 611 H SER 83 H SER 83 16.624 2.579 -11.897 612 HA SER 83 HA SER 83 14.380 1.563 -13.417 613 HB2 SER 83 1HB SER 83 16.395 0.350 -11.550 614 HB3 SER 83 2HB SER 83 14.936 -0.544 -11.978 615 HG SER 83 HG SER 83 15.543 -0.486 -14.115 616 H LEU 84 H LEU 84 12.577 0.454 -12.401 617 HA LEU 84 HA LEU 84 11.887 1.571 -9.764 618 HB2 LEU 84 1HB LEU 84 10.095 1.165 -12.153 619 HB3 LEU 84 2HB LEU 84 9.526 1.600 -10.542 620 HG LEU 84 HG LEU 84 11.470 3.323 -12.054 621 HD11 LEU 84 1HD1 LEU 84 9.138 4.625 -12.353 622 HD12 LEU 84 2HD1 LEU 84 8.578 2.959 -12.487 623 HD13 LEU 84 3HD1 LEU 84 9.827 3.559 -13.578 624 HD21 LEU 84 1HD2 LEU 84 11.178 3.652 -9.614 625 HD22 LEU 84 2HD2 LEU 84 9.465 3.964 -9.894 626 HD23 LEU 84 3HD2 LEU 84 10.682 5.047 -10.573 627 H LEU 85 H LEU 85 12.381 -0.238 -8.576 628 HA LEU 85 HA LEU 85 12.014 -2.879 -9.145 629 HB2 LEU 85 1HB LEU 85 11.514 -1.548 -6.487 630 HB3 LEU 85 2HB LEU 85 11.809 -3.268 -6.733 631 HG LEU 85 HG LEU 85 13.760 -1.003 -7.128 632 HD11 LEU 85 1HD1 LEU 85 14.351 -3.329 -5.417 633 HD12 LEU 85 2HD1 LEU 85 13.100 -2.233 -4.831 634 HD13 LEU 85 3HD1 LEU 85 14.715 -1.619 -5.182 635 HD21 LEU 85 1HD2 LEU 85 15.383 -2.709 -7.763 636 HD22 LEU 85 2HD2 LEU 85 14.036 -2.663 -8.901 637 HD23 LEU 85 3HD2 LEU 85 14.126 -3.944 -7.691 638 HA PRO 86 HA PRO 86 7.715 -3.726 -9.432 639 HB2 PRO 86 1HB PRO 86 7.622 -6.257 -8.455 640 HB3 PRO 86 2HB PRO 86 8.302 -5.862 -10.039 641 HG2 PRO 86 1HG PRO 86 9.709 -6.353 -7.442 642 HG3 PRO 86 2HG PRO 86 10.128 -6.926 -9.067 643 HD2 PRO 86 1HD PRO 86 11.359 -4.813 -7.905 644 HD3 PRO 86 2HD PRO 86 11.104 -4.923 -9.659 645 HA PRO 87 HA PRO 87 6.505 -2.546 -5.236 646 HB2 PRO 87 1HB PRO 87 4.107 -1.516 -5.983 647 HB3 PRO 87 2HB PRO 87 5.626 -0.627 -6.143 648 HG2 PRO 87 1HG PRO 87 4.096 -2.150 -8.216 649 HG3 PRO 87 2HG PRO 87 4.889 -0.570 -8.348 650 HD2 PRO 87 1HD PRO 87 6.010 -2.846 -9.294 651 HD3 PRO 87 2HD PRO 87 6.975 -1.502 -8.651 652 H VAL 88 H VAL 88 4.273 -2.851 -4.095 653 HA VAL 88 HA VAL 88 3.143 -5.460 -4.869 654 HB VAL 88 HB VAL 88 2.813 -5.777 -2.328 655 HG11 VAL 88 1HG1 VAL 88 5.697 -5.964 -2.996 656 HG12 VAL 88 2HG1 VAL 88 4.610 -7.175 -2.314 657 HG13 VAL 88 3HG1 VAL 88 4.558 -6.813 -4.040 658 HG21 VAL 88 1HG2 VAL 88 4.391 -4.687 -0.886 659 HG22 VAL 88 2HG2 VAL 88 5.143 -3.863 -2.253 660 HG23 VAL 88 3HG2 VAL 88 3.498 -3.448 -1.769 661 H SER 89 H SER 89 0.989 -5.544 -4.978 662 HA SER 89 HA SER 89 -0.524 -3.222 -3.993 663 HB2 SER 89 1HB SER 89 -2.139 -3.644 -5.695 664 HB3 SER 89 2HB SER 89 -0.562 -3.793 -6.470 665 HG SER 89 HG SER 89 -2.169 -5.507 -6.897 666 H THR 90 H THR 90 -2.358 -3.483 -2.756 667 HA THR 90 HA THR 90 -3.138 -6.195 -1.980 668 HB THR 90 HB THR 90 -1.433 -5.318 -0.330 669 HG1 THR 90 1HG THR 90 -3.452 -6.773 0.058 670 HG21 THR 90 1HG2 THR 90 -2.374 -3.704 1.361 671 HG22 THR 90 2HG2 THR 90 -3.667 -3.367 0.210 672 HG23 THR 90 3HG2 THR 90 -1.993 -3.005 -0.212 673 H SER 91 H SER 91 -5.252 -6.379 -1.198 674 HA SER 91 HA SER 91 -6.931 -4.017 -1.710 675 HB2 SER 91 1HB SER 91 -8.782 -5.734 -1.971 676 HB3 SER 91 2HB SER 91 -7.526 -5.780 -3.207 677 HG SER 91 HG SER 91 -6.743 -7.619 -2.370 678 H PHE 92 H PHE 92 -8.024 -3.129 -0.085 679 HA PHE 92 HA PHE 92 -8.619 -4.730 2.296 680 HB2 PHE 92 1HB PHE 92 -7.811 -3.020 3.796 681 HB3 PHE 92 2HB PHE 92 -6.509 -3.458 2.695 682 HD1 PHE 92 1HD PHE 92 -5.988 -1.945 0.767 683 HD2 PHE 92 2HD PHE 92 -8.606 -0.816 3.927 684 HE1 PHE 92 1HE PHE 92 -5.721 0.419 0.139 685 HE2 PHE 92 2HE PHE 92 -8.344 1.549 3.304 686 HZ PHE 92 HZ PHE 92 -6.901 2.170 1.407 687 H THR 93 H THR 93 -10.547 -4.283 3.239 688 HA THR 93 HA THR 93 -12.183 -2.206 1.949 689 HB THR 93 HB THR 93 -13.107 -4.632 3.502 690 HG1 THR 93 1HG THR 93 -12.459 -5.465 1.613 691 HG21 THR 93 1HG2 THR 93 -14.556 -2.478 3.370 692 HG22 THR 93 2HG2 THR 93 -15.296 -4.036 3.000 693 HG23 THR 93 3HG2 THR 93 -14.809 -2.958 1.692 694 H THR 94 H THR 94 -13.235 -0.674 3.134 695 HA THR 94 HA THR 94 -12.293 -0.271 5.846 696 HB THR 94 HB THR 94 -13.517 1.895 5.700 697 HG1 THR 94 1HG THR 94 -14.934 2.141 4.157 698 HG21 THR 94 1HG2 THR 94 -11.150 1.156 4.484 699 HG22 THR 94 2HG2 THR 94 -11.704 2.808 4.752 700 HG23 THR 94 3HG2 THR 94 -12.013 2.014 3.208 701 H GLY 95 H GLY 95 -13.693 0.137 7.642 702 HA2 GLY 95 1HA GLY 95 -15.795 -1.739 7.887 703 HA3 GLY 95 2HA GLY 95 -15.401 -0.479 9.048 704 H GLY 96 H GLY 96 -17.725 -0.323 9.359 705 HA2 GLY 96 1HA GLY 96 -18.947 1.398 7.295 706 HA3 GLY 96 2HA GLY 96 -19.862 0.107 8.059 707 H LEU 97 H LEU 97 -19.877 3.222 7.999 708 HA LEU 97 HA LEU 97 -19.474 4.112 10.640 709 HB2 LEU 97 1HB LEU 97 -21.374 5.202 8.568 710 HB3 LEU 97 2HB LEU 97 -20.800 6.051 10.002 711 HG LEU 97 HG LEU 97 -18.992 5.143 7.768 712 HD11 LEU 97 1HD1 LEU 97 -20.761 7.472 7.983 713 HD12 LEU 97 2HD1 LEU 97 -20.013 6.737 6.566 714 HD13 LEU 97 3HD1 LEU 97 -19.086 7.846 7.575 715 HD21 LEU 97 1HD2 LEU 97 -17.883 5.482 9.904 716 HD22 LEU 97 2HD2 LEU 97 -18.612 7.081 10.049 717 HD23 LEU 97 3HD2 LEU 97 -17.441 6.758 8.769 718 H ARG 98 H ARG 98 -20.437 3.058 12.279 719 HA ARG 98 HA ARG 98 -23.348 3.145 12.405 720 HB2 ARG 98 1HB ARG 98 -22.534 0.875 11.503 721 HB3 ARG 98 2HB ARG 98 -21.928 0.593 13.130 722 HG2 ARG 98 1HG ARG 98 -24.108 0.675 14.053 723 HG3 ARG 98 2HG ARG 98 -24.792 1.290 12.547 724 HD2 ARG 98 1HD ARG 98 -25.363 -0.987 12.591 725 HD3 ARG 98 2HD ARG 98 -23.994 -0.879 11.485 726 HE ARG 98 HE ARG 98 -22.854 -1.432 13.892 727 HH11 ARG 98 2HH1 ARG 98 -25.352 -2.921 11.978 728 HH12 ARG 98 1HH1 ARG 98 -25.017 -4.522 12.551 729 HH21 ARG 98 2HH2 ARG 98 -22.405 -3.534 14.654 730 HH22 ARG 98 1HH2 ARG 98 -23.342 -4.869 14.074 731 H ILE 99 H ILE 99 -24.181 2.888 14.570 732 HA ILE 99 HA ILE 99 -22.291 3.879 16.559 733 HB ILE 99 HB ILE 99 -25.294 3.608 16.736 734 HG12 ILE 99 1HG1 ILE 99 -24.896 6.248 16.669 735 HG13 ILE 99 2HG1 ILE 99 -23.486 5.754 15.739 736 HG21 ILE 99 1HG2 ILE 99 -24.185 5.564 18.490 737 HG22 ILE 99 2HG2 ILE 99 -25.110 4.117 18.886 738 HG23 ILE 99 3HG2 ILE 99 -23.355 4.029 18.741 739 HD11 ILE 99 1HD1 ILE 99 -26.204 5.979 14.912 740 HD12 ILE 99 2HD1 ILE 99 -24.769 5.627 13.949 741 HD13 ILE 99 3HD1 ILE 99 -25.664 4.312 14.711 742 H SER 100 H SER 100 -21.439 2.624 18.074 743 HA SER 100 HA SER 100 -22.095 -0.142 18.261 744 HB2 SER 100 1HB SER 100 -19.812 0.887 18.670 745 HB3 SER 100 2HB SER 100 -20.431 1.441 20.226 746 HG SER 100 HG SER 100 -20.791 -0.716 20.796 747 H GLY 101 H GLY 101 -23.978 -0.760 19.120 748 HA2 GLY 101 1HA GLY 101 -25.544 0.655 20.932 749 HA3 GLY 101 2HA GLY 101 -25.640 -1.080 20.670 750 HA PRO 102 HA PRO 102 -23.603 0.201 24.848 751 HB2 PRO 102 1HB PRO 102 -25.778 0.465 26.451 752 HB3 PRO 102 2HB PRO 102 -25.049 1.825 25.589 753 HG2 PRO 102 1HG PRO 102 -27.455 0.196 24.869 754 HG3 PRO 102 2HG PRO 102 -27.226 1.953 24.781 755 HD2 PRO 102 1HD PRO 102 -27.032 0.348 22.609 756 HD3 PRO 102 2HD PRO 102 -26.070 1.829 22.791 757 H SER 103 H SER 103 -23.025 -1.460 26.124 758 HA SER 103 HA SER 103 -24.798 -3.814 26.200 759 HB2 SER 103 1HB SER 103 -21.809 -3.596 25.965 760 HB3 SER 103 2HB SER 103 -22.552 -5.052 26.627 761 HG SER 103 HG SER 103 -23.147 -5.604 24.690 762 H SER 104 H SER 104 -25.810 -3.582 28.124 763 HA SER 104 HA SER 104 -24.496 -2.625 30.475 764 HB2 SER 104 1HB SER 104 -26.854 -2.227 30.277 765 HB3 SER 104 2HB SER 104 -27.182 -3.942 30.036 766 HG SER 104 HG SER 104 -27.365 -2.787 32.267 767 H GLY 105 H GLY 105 -23.036 -3.770 31.554 768 HA2 GLY 105 1HA GLY 105 -23.249 -5.917 33.058 769 HA3 GLY 105 2HA GLY 105 -23.154 -6.694 31.485 Start of MODEL 3 1 H1 GLY 1 H GLY 1 8.865 -6.420 -14.256 2 HA2 GLY 1 1HA GLY 1 10.447 -5.573 -15.906 3 HA3 GLY 1 2HA GLY 1 11.269 -4.739 -14.595 4 H SER 2 H SER 2 11.862 -7.014 -16.667 5 HA SER 2 HA SER 2 12.861 -9.045 -14.818 6 HB2 SER 2 1HB SER 2 13.576 -10.062 -17.161 7 HB3 SER 2 2HB SER 2 11.913 -10.183 -16.585 8 HG SER 2 HG SER 2 12.972 -8.304 -18.426 9 H SER 3 H SER 3 13.987 -6.256 -15.253 10 HA SER 3 HA SER 3 16.746 -7.083 -15.882 11 HB2 SER 3 1HB SER 3 15.590 -5.415 -17.469 12 HB3 SER 3 2HB SER 3 15.744 -4.253 -16.151 13 HG SER 3 HG SER 3 17.515 -4.528 -17.857 14 H GLY 4 H GLY 4 18.060 -7.062 -14.190 15 HA2 GLY 4 1HA GLY 4 17.843 -4.930 -12.210 16 HA3 GLY 4 2HA GLY 4 17.616 -6.570 -11.622 17 H SER 5 H SER 5 19.901 -4.415 -13.237 18 HA SER 5 HA SER 5 22.121 -6.074 -13.326 19 HB2 SER 5 1HB SER 5 21.781 -3.645 -14.209 20 HB3 SER 5 2HB SER 5 22.406 -3.165 -12.632 21 HG SER 5 HG SER 5 24.001 -3.429 -14.358 22 H SER 6 H SER 6 20.975 -4.009 -10.686 23 HA SER 6 HA SER 6 23.055 -5.109 -8.936 24 HB2 SER 6 1HB SER 6 21.217 -2.728 -8.672 25 HB3 SER 6 2HB SER 6 22.204 -3.319 -7.336 26 HG SER 6 HG SER 6 23.484 -2.887 -9.770 27 H GLY 7 H GLY 7 22.482 -5.853 -6.794 28 HA2 GLY 7 1HA GLY 7 20.204 -7.592 -6.855 29 HA3 GLY 7 2HA GLY 7 21.340 -7.407 -5.526 30 H LEU 8 H LEU 8 18.669 -5.697 -7.140 31 HA LEU 8 HA LEU 8 18.096 -4.155 -4.770 32 HB2 LEU 8 1HB LEU 8 17.054 -4.307 -7.541 33 HB3 LEU 8 2HB LEU 8 15.967 -3.684 -6.302 34 HG LEU 8 HG LEU 8 17.063 -1.855 -7.429 35 HD11 LEU 8 1HD1 LEU 8 18.620 -1.397 -5.132 36 HD12 LEU 8 2HD1 LEU 8 17.233 -2.358 -4.622 37 HD13 LEU 8 3HD1 LEU 8 16.984 -0.831 -5.467 38 HD21 LEU 8 1HD2 LEU 8 19.280 -1.703 -7.877 39 HD22 LEU 8 2HD2 LEU 8 19.157 -3.462 -7.822 40 HD23 LEU 8 3HD2 LEU 8 19.750 -2.574 -6.417 41 H GLU 9 H GLU 9 16.055 -4.195 -3.655 42 HA GLU 9 HA GLU 9 14.559 -6.709 -3.882 43 HB2 GLU 9 1HB GLU 9 16.014 -5.667 -1.493 44 HB3 GLU 9 2HB GLU 9 14.486 -6.498 -1.242 45 HG2 GLU 9 1HG GLU 9 16.784 -7.672 -2.783 46 HG3 GLU 9 2HG GLU 9 16.521 -7.932 -1.059 47 H ALA 10 H ALA 10 12.396 -6.535 -3.551 48 HA ALA 10 HA ALA 10 11.350 -3.826 -3.203 49 HB1 ALA 10 1HB ALA 10 10.620 -6.042 -4.823 50 HB2 ALA 10 2HB ALA 10 9.270 -5.675 -3.748 51 HB3 ALA 10 3HB ALA 10 9.928 -4.419 -4.797 52 HA PRO 11 HA PRO 11 9.623 -4.457 0.780 53 HB2 PRO 11 1HB PRO 11 7.165 -3.325 0.571 54 HB3 PRO 11 2HB PRO 11 8.658 -2.380 0.602 55 HG2 PRO 11 1HG PRO 11 6.991 -3.210 -1.741 56 HG3 PRO 11 2HG PRO 11 7.755 -1.645 -1.411 57 HD2 PRO 11 1HD PRO 11 8.825 -3.458 -3.114 58 HD3 PRO 11 2HD PRO 11 9.822 -2.358 -2.140 59 H ARG 12 H ARG 12 8.389 -5.862 1.979 60 HA ARG 12 HA ARG 12 6.374 -7.466 0.571 61 HB2 ARG 12 1HB ARG 12 7.258 -9.525 1.376 62 HB3 ARG 12 2HB ARG 12 8.598 -8.651 0.647 63 HG2 ARG 12 1HG ARG 12 9.221 -7.879 2.952 64 HG3 ARG 12 2HG ARG 12 8.011 -9.004 3.573 65 HD2 ARG 12 1HD ARG 12 10.242 -9.995 3.610 66 HD3 ARG 12 2HD ARG 12 9.176 -10.861 2.503 67 HE ARG 12 HE ARG 12 10.786 -8.817 1.260 68 HH11 ARG 12 2HH1 ARG 12 10.586 -12.161 2.207 69 HH12 ARG 12 1HH1 ARG 12 11.761 -12.694 1.052 70 HH21 ARG 12 2HH2 ARG 12 12.335 -9.507 -0.266 71 HH22 ARG 12 1HH2 ARG 12 12.756 -11.184 -0.354 72 H ASP 13 H ASP 13 5.176 -8.903 2.217 73 HA ASP 13 HA ASP 13 3.787 -9.045 4.013 74 HB2 ASP 13 1HB ASP 13 5.857 -9.193 5.311 75 HB3 ASP 13 2HB ASP 13 5.958 -7.436 5.373 76 H LEU 14 H LEU 14 3.201 -7.083 2.148 77 HA LEU 14 HA LEU 14 2.501 -4.672 3.625 78 HB2 LEU 14 1HB LEU 14 3.358 -4.255 1.463 79 HB3 LEU 14 2HB LEU 14 2.306 -5.467 0.734 80 HG LEU 14 HG LEU 14 0.387 -3.893 1.501 81 HD11 LEU 14 1HD1 LEU 14 1.336 -2.262 2.799 82 HD12 LEU 14 2HD1 LEU 14 1.342 -1.468 1.225 83 HD13 LEU 14 3HD1 LEU 14 2.818 -2.207 1.845 84 HD21 LEU 14 1HD2 LEU 14 1.681 -2.475 -0.654 85 HD22 LEU 14 2HD2 LEU 14 0.233 -3.481 -0.678 86 HD23 LEU 14 3HD2 LEU 14 1.824 -4.221 -0.861 87 H GLU 15 H GLU 15 0.812 -5.059 4.957 88 HA GLU 15 HA GLU 15 -1.680 -5.978 3.692 89 HB2 GLU 15 1HB GLU 15 -0.614 -7.737 5.159 90 HB3 GLU 15 2HB GLU 15 -0.877 -6.657 6.521 91 HG2 GLU 15 1HG GLU 15 -2.596 -8.444 6.230 92 HG3 GLU 15 2HG GLU 15 -3.228 -6.800 6.300 93 H ALA 16 H ALA 16 -3.637 -5.316 4.921 94 HA ALA 16 HA ALA 16 -3.335 -2.551 5.786 95 HB1 ALA 16 1HB ALA 16 -6.053 -3.495 5.811 96 HB2 ALA 16 2HB ALA 16 -5.310 -2.238 4.821 97 HB3 ALA 16 3HB ALA 16 -5.260 -3.920 4.294 98 H LYS 17 H LYS 17 -3.740 -1.804 7.802 99 HA LYS 17 HA LYS 17 -4.838 -3.644 9.800 100 HB2 LYS 17 1HB LYS 17 -2.224 -2.152 10.040 101 HB3 LYS 17 2HB LYS 17 -3.060 -2.870 11.410 102 HG2 LYS 17 1HG LYS 17 -1.637 -4.566 10.931 103 HG3 LYS 17 2HG LYS 17 -2.968 -5.019 9.863 104 HD2 LYS 17 1HD LYS 17 -1.870 -4.080 7.969 105 HD3 LYS 17 2HD LYS 17 -0.644 -3.314 8.983 106 HE2 LYS 17 1HE LYS 17 0.063 -5.611 9.696 107 HE3 LYS 17 2HE LYS 17 -1.031 -6.259 8.475 108 HZ1 LYS 17 1HZ LYS 17 0.815 -6.155 7.216 109 HZ2 LYS 17 2HZ LYS 17 1.540 -4.946 8.152 110 HZ3 LYS 17 3HZ LYS 17 0.359 -4.538 7.011 111 H GLU 18 H GLU 18 -5.604 -2.576 11.738 112 HA GLU 18 HA GLU 18 -6.885 -0.995 12.761 113 HB2 GLU 18 1HB GLU 18 -4.954 0.980 11.543 114 HB3 GLU 18 2HB GLU 18 -5.926 1.197 12.992 115 HG2 GLU 18 1HG GLU 18 -3.903 -0.998 12.823 116 HG3 GLU 18 2HG GLU 18 -3.425 0.648 13.233 117 H VAL 19 H VAL 19 -7.518 -1.749 9.985 118 HA VAL 19 HA VAL 19 -8.315 0.413 8.417 119 HB VAL 19 HB VAL 19 -9.605 -2.310 8.644 120 HG11 VAL 19 1HG1 VAL 19 -10.133 -1.574 6.137 121 HG12 VAL 19 2HG1 VAL 19 -11.226 -1.226 7.478 122 HG13 VAL 19 3HG1 VAL 19 -10.124 0.020 6.890 123 HG21 VAL 19 1HG2 VAL 19 -7.256 -2.433 8.037 124 HG22 VAL 19 2HG2 VAL 19 -8.267 -2.839 6.649 125 HG23 VAL 19 3HG2 VAL 19 -7.506 -1.251 6.752 126 H THR 20 H THR 20 -9.958 1.818 8.495 127 HA THR 20 HA THR 20 -12.276 1.256 10.184 128 HB THR 20 HB THR 20 -12.040 3.782 10.919 129 HG1 THR 20 1HG THR 20 -9.306 3.095 10.934 130 HG21 THR 20 1HG2 THR 20 -10.400 2.744 12.805 131 HG22 THR 20 2HG2 THR 20 -11.025 1.267 12.073 132 HG23 THR 20 3HG2 THR 20 -12.138 2.457 12.747 133 HA PRO 21 HA PRO 21 -14.576 3.236 7.014 134 HB2 PRO 21 1HB PRO 21 -16.563 4.439 8.421 135 HB3 PRO 21 2HB PRO 21 -16.473 2.689 8.189 136 HG2 PRO 21 1HG PRO 21 -15.643 4.332 10.550 137 HG3 PRO 21 2HG PRO 21 -16.515 2.789 10.512 138 HD2 PRO 21 1HD PRO 21 -13.864 2.951 11.040 139 HD3 PRO 21 2HD PRO 21 -14.588 1.563 10.203 140 H ARG 22 H ARG 22 -12.873 5.023 9.303 141 HA ARG 22 HA ARG 22 -13.474 7.551 7.913 142 HB2 ARG 22 1HB ARG 22 -14.059 7.962 10.125 143 HB3 ARG 22 2HB ARG 22 -12.770 6.948 10.760 144 HG2 ARG 22 1HG ARG 22 -11.206 8.599 10.615 145 HG3 ARG 22 2HG ARG 22 -12.008 9.392 9.258 146 HD2 ARG 22 1HD ARG 22 -12.408 10.872 10.984 147 HD3 ARG 22 2HD ARG 22 -13.874 9.893 10.993 148 HE ARG 22 HE ARG 22 -11.816 8.927 12.756 149 HH11 ARG 22 2HH1 ARG 22 -14.529 11.083 12.419 150 HH12 ARG 22 1HH1 ARG 22 -14.859 11.143 14.119 151 HH21 ARG 22 2HH2 ARG 22 -12.241 8.998 14.996 152 HH22 ARG 22 1HH2 ARG 22 -13.557 9.957 15.584 153 H THR 23 H THR 23 -11.018 5.304 8.894 154 HA THR 23 HA THR 23 -9.107 6.602 7.144 155 HB THR 23 HB THR 23 -7.311 6.467 8.960 156 HG1 THR 23 1HG THR 23 -9.274 5.495 10.361 157 HG21 THR 23 1HG2 THR 23 -9.317 8.563 9.666 158 HG22 THR 23 2HG2 THR 23 -8.627 8.546 8.043 159 HG23 THR 23 3HG2 THR 23 -7.574 8.704 9.448 160 H ALA 24 H ALA 24 -6.915 5.286 7.349 161 HA ALA 24 HA ALA 24 -7.234 2.507 8.020 162 HB1 ALA 24 1HB ALA 24 -7.514 1.560 5.994 163 HB2 ALA 24 2HB ALA 24 -8.237 3.120 5.596 164 HB3 ALA 24 3HB ALA 24 -6.558 2.791 5.167 165 H LEU 25 H LEU 25 -5.309 1.627 8.499 166 HA LEU 25 HA LEU 25 -2.903 3.158 7.772 167 HB2 LEU 25 1HB LEU 25 -3.170 3.101 10.127 168 HB3 LEU 25 2HB LEU 25 -3.521 1.374 10.112 169 HG LEU 25 HG LEU 25 -1.047 1.267 9.151 170 HD11 LEU 25 1HD1 LEU 25 -1.285 3.981 9.776 171 HD12 LEU 25 2HD1 LEU 25 0.187 3.096 9.377 172 HD13 LEU 25 3HD1 LEU 25 -0.301 3.281 11.061 173 HD21 LEU 25 1HD2 LEU 25 -1.799 1.589 12.054 174 HD22 LEU 25 2HD2 LEU 25 -0.277 0.912 11.474 175 HD23 LEU 25 3HD2 LEU 25 -1.799 0.093 11.119 176 H LEU 26 H LEU 26 -1.305 2.220 6.638 177 HA LEU 26 HA LEU 26 -1.492 -0.677 6.138 178 HB2 LEU 26 1HB LEU 26 -1.146 1.601 4.254 179 HB3 LEU 26 2HB LEU 26 -0.330 0.081 3.892 180 HG LEU 26 HG LEU 26 -3.279 0.156 4.430 181 HD11 LEU 26 1HD1 LEU 26 -3.796 1.010 2.434 182 HD12 LEU 26 2HD1 LEU 26 -2.507 0.125 1.619 183 HD13 LEU 26 3HD1 LEU 26 -2.154 1.652 2.428 184 HD21 LEU 26 1HD2 LEU 26 -1.647 -1.932 4.197 185 HD22 LEU 26 2HD2 LEU 26 -1.963 -1.652 2.485 186 HD23 LEU 26 3HD2 LEU 26 -3.303 -1.955 3.591 187 H THR 27 H THR 27 0.217 -1.720 6.887 188 HA THR 27 HA THR 27 2.763 -0.272 7.151 189 HB THR 27 HB THR 27 3.356 -1.655 8.938 190 HG1 THR 27 1HG THR 27 2.964 -3.698 8.293 191 HG21 THR 27 1HG2 THR 27 0.739 -0.501 8.947 192 HG22 THR 27 2HG2 THR 27 1.876 -0.676 10.284 193 HG23 THR 27 3HG2 THR 27 0.727 -1.966 9.927 194 H TRP 28 H TRP 28 4.721 -1.298 6.556 195 HA TRP 28 HA TRP 28 4.568 -3.765 5.020 196 HB2 TRP 28 1HB TRP 28 5.616 -2.814 3.040 197 HB3 TRP 28 2HB TRP 28 4.105 -1.975 3.377 198 HD1 TRP 28 HD TRP 28 7.862 -1.425 3.211 199 HE1 TRP 28 1HE TRP 28 8.349 1.095 3.398 200 HE3 TRP 28 3HE TRP 28 3.176 0.219 4.425 201 HZ2 TRP 28 2HZ TRP 28 6.935 3.466 3.984 202 HZ3 TRP 28 3HZ TRP 28 2.828 2.629 4.782 203 HH2 TRP 28 HH TRP 28 4.669 4.217 4.566 204 H THR 29 H THR 29 6.718 -4.595 4.440 205 HA THR 29 HA THR 29 8.644 -3.939 6.540 206 HB THR 29 HB THR 29 8.492 -6.300 4.657 207 HG1 THR 29 1HG THR 29 7.692 -5.793 7.289 208 HG21 THR 29 1HG2 THR 29 10.694 -5.276 6.244 209 HG22 THR 29 2HG2 THR 29 10.675 -6.575 5.051 210 HG23 THR 29 3HG2 THR 29 10.241 -6.910 6.727 211 H GLU 30 H GLU 30 10.345 -2.705 6.119 212 HA GLU 30 HA GLU 30 10.954 -1.785 3.504 213 HB2 GLU 30 1HB GLU 30 12.127 -1.427 6.220 214 HB3 GLU 30 2HB GLU 30 13.124 -1.012 4.832 215 HG2 GLU 30 1HG GLU 30 11.693 0.687 4.153 216 HG3 GLU 30 2HG GLU 30 10.344 0.059 5.098 217 HA PRO 31 HA PRO 31 13.589 -5.042 2.118 218 HB2 PRO 31 1HB PRO 31 14.800 -3.707 0.088 219 HB3 PRO 31 2HB PRO 31 13.134 -4.289 -0.004 220 HG2 PRO 31 1HG PRO 31 14.149 -1.541 0.612 221 HG3 PRO 31 2HG PRO 31 12.798 -2.027 -0.428 222 HD2 PRO 31 1HD PRO 31 12.439 -1.108 2.094 223 HD3 PRO 31 2HD PRO 31 11.365 -2.314 1.355 224 HA PRO 32 HA PRO 32 17.641 -4.524 3.746 225 HB2 PRO 32 1HB PRO 32 19.209 -5.799 1.933 226 HB3 PRO 32 2HB PRO 32 18.120 -6.654 3.031 227 HG2 PRO 32 1HG PRO 32 17.719 -5.922 0.157 228 HG3 PRO 32 2HG PRO 32 17.334 -7.440 0.989 229 HD2 PRO 32 1HD PRO 32 15.459 -5.565 0.436 230 HD3 PRO 32 2HD PRO 32 15.376 -6.605 1.873 231 H VAL 33 H VAL 33 16.693 -2.882 1.039 232 HA VAL 33 HA VAL 33 19.178 -1.313 1.017 233 HB VAL 33 HB VAL 33 17.587 -1.952 -1.469 234 HG11 VAL 33 1HG1 VAL 33 18.659 -0.195 -2.311 235 HG12 VAL 33 2HG1 VAL 33 19.610 0.000 -0.838 236 HG13 VAL 33 3HG1 VAL 33 20.165 -1.090 -2.110 237 HG21 VAL 33 1HG2 VAL 33 19.096 -3.772 -0.224 238 HG22 VAL 33 2HG2 VAL 33 18.986 -3.664 -1.981 239 HG23 VAL 33 3HG2 VAL 33 20.356 -2.943 -1.138 240 H ARG 34 H ARG 34 18.532 0.513 1.990 241 HA ARG 34 HA ARG 34 15.965 1.587 2.013 242 HB2 ARG 34 1HB ARG 34 18.071 2.175 3.428 243 HB3 ARG 34 2HB ARG 34 18.394 3.343 2.154 244 HG2 ARG 34 1HG ARG 34 16.581 4.642 2.694 245 HG3 ARG 34 2HG ARG 34 15.703 3.299 3.429 246 HD2 ARG 34 1HD ARG 34 16.325 4.435 5.311 247 HD3 ARG 34 2HD ARG 34 17.715 3.365 5.130 248 HE ARG 34 HE ARG 34 18.241 5.723 3.727 249 HH11 ARG 34 2HH1 ARG 34 17.794 4.638 7.005 250 HH12 ARG 34 1HH1 ARG 34 18.815 5.861 7.687 251 HH21 ARG 34 2HH2 ARG 34 19.587 7.337 4.613 252 HH22 ARG 34 1HH2 ARG 34 19.834 7.396 6.326 253 HA PRO 35 HA PRO 35 15.775 2.969 -2.237 254 HB2 PRO 35 1HB PRO 35 13.211 3.849 -2.098 255 HB3 PRO 35 2HB PRO 35 13.633 2.140 -2.260 256 HG2 PRO 35 1HG PRO 35 12.871 3.679 0.192 257 HG3 PRO 35 2HG PRO 35 12.356 2.060 -0.318 258 HD2 PRO 35 1HD PRO 35 14.281 2.458 1.545 259 HD3 PRO 35 2HD PRO 35 14.294 1.069 0.440 260 H ALA 36 H ALA 36 14.611 5.096 -3.168 261 HA ALA 36 HA ALA 36 15.899 7.311 -1.761 262 HB1 ALA 36 1HB ALA 36 15.948 6.642 -4.376 263 HB2 ALA 36 2HB ALA 36 14.634 7.819 -4.369 264 HB3 ALA 36 3HB ALA 36 16.229 8.274 -3.769 265 H GLY 37 H GLY 37 12.736 6.259 -2.902 266 HA2 GLY 37 1HA GLY 37 11.452 8.052 -1.032 267 HA3 GLY 37 2HA GLY 37 11.162 8.448 -2.719 268 H TYR 38 H TYR 38 8.910 8.031 -1.759 269 HA TYR 38 HA TYR 38 8.195 5.267 -2.427 270 HB2 TYR 38 1HB TYR 38 7.630 6.708 0.124 271 HB3 TYR 38 2HB TYR 38 6.393 5.629 -0.512 272 HD1 TYR 38 2HD TYR 38 7.919 3.419 -1.616 273 HD2 TYR 38 1HD TYR 38 8.593 5.648 1.945 274 HE1 TYR 38 2HE TYR 38 9.092 1.491 -0.638 275 HE2 TYR 38 1HE TYR 38 9.770 3.727 2.932 276 HH TYR 38 HH TYR 38 9.716 0.605 1.498 277 H LEU 39 H LEU 39 6.238 5.019 -3.452 278 HA LEU 39 HA LEU 39 4.648 7.447 -3.917 279 HB2 LEU 39 1HB LEU 39 5.922 7.264 -5.887 280 HB3 LEU 39 2HB LEU 39 5.724 5.514 -5.946 281 HG LEU 39 HG LEU 39 3.296 5.897 -6.443 282 HD11 LEU 39 1HD1 LEU 39 3.312 8.424 -7.548 283 HD12 LEU 39 2HD1 LEU 39 4.132 8.641 -6.003 284 HD13 LEU 39 3HD1 LEU 39 2.513 7.944 -6.051 285 HD21 LEU 39 1HD2 LEU 39 5.320 7.032 -8.370 286 HD22 LEU 39 2HD2 LEU 39 3.687 6.515 -8.792 287 HD23 LEU 39 3HD2 LEU 39 4.862 5.336 -8.206 288 H LEU 40 H LEU 40 3.060 6.736 -2.491 289 HA LEU 40 HA LEU 40 1.841 4.137 -2.852 290 HB2 LEU 40 1HB LEU 40 2.128 5.163 -0.620 291 HB3 LEU 40 2HB LEU 40 1.001 6.434 -1.089 292 HG LEU 40 HG LEU 40 -0.624 4.410 -1.493 293 HD11 LEU 40 1HD1 LEU 40 -0.017 2.416 -0.731 294 HD12 LEU 40 2HD1 LEU 40 0.495 3.093 0.815 295 HD13 LEU 40 3HD1 LEU 40 1.616 3.055 -0.546 296 HD21 LEU 40 1HD2 LEU 40 0.057 5.310 1.303 297 HD22 LEU 40 2HD2 LEU 40 -1.500 4.719 0.720 298 HD23 LEU 40 3HD2 LEU 40 -0.871 6.264 0.146 299 H SER 41 H SER 41 0.410 3.780 -4.403 300 HA SER 41 HA SER 41 -1.287 6.008 -5.306 301 HB2 SER 41 1HB SER 41 -1.311 5.098 -7.446 302 HB3 SER 41 2HB SER 41 0.316 4.684 -6.904 303 HG SER 41 HG SER 41 -0.996 2.680 -6.106 304 H PHE 42 H PHE 42 -3.245 5.968 -4.437 305 HA PHE 42 HA PHE 42 -4.551 3.356 -4.040 306 HB2 PHE 42 1HB PHE 42 -5.598 4.142 -2.094 307 HB3 PHE 42 2HB PHE 42 -3.964 4.786 -1.976 308 HD1 PHE 42 2HD PHE 42 -3.561 7.185 -2.614 309 HD2 PHE 42 1HD PHE 42 -7.462 5.558 -2.115 310 HE1 PHE 42 2HE PHE 42 -4.473 9.457 -2.373 311 HE2 PHE 42 1HE PHE 42 -8.382 7.828 -1.874 312 HZ PHE 42 HZ PHE 42 -6.887 9.781 -2.002 313 H HIS 43 H HIS 43 -6.298 2.995 -5.230 314 HA HIS 43 HA HIS 43 -7.921 5.272 -6.122 315 HB2 HIS 43 1HB HIS 43 -7.851 4.714 -8.356 316 HB3 HIS 43 2HB HIS 43 -6.221 4.256 -7.869 317 HD1 HIS 43 1HD HIS 43 -6.100 1.566 -7.117 318 HD2 HIS 43 2HD HIS 43 -9.109 2.758 -9.721 319 HE1 HIS 43 1HE HIS 43 -6.877 -0.538 -8.255 320 HE2 HIS 43 2HE HIS 43 -8.639 0.220 -9.887 321 H THR 44 H THR 44 -10.094 4.662 -6.810 322 HA THR 44 HA THR 44 -11.079 2.405 -5.224 323 HB THR 44 HB THR 44 -13.091 3.487 -4.999 324 HG1 THR 44 1HG THR 44 -14.025 4.702 -6.577 325 HG21 THR 44 1HG2 THR 44 -11.507 5.953 -5.646 326 HG22 THR 44 2HG2 THR 44 -11.094 4.945 -4.259 327 HG23 THR 44 3HG2 THR 44 -12.686 5.697 -4.361 328 HA PRO 45 HA PRO 45 -12.101 -0.070 -8.706 329 HB2 PRO 45 1HB PRO 45 -14.329 -1.331 -7.804 330 HB3 PRO 45 2HB PRO 45 -12.707 -1.704 -7.209 331 HG2 PRO 45 1HG PRO 45 -14.824 0.021 -5.982 332 HG3 PRO 45 2HG PRO 45 -13.759 -1.166 -5.206 333 HD2 PRO 45 1HD PRO 45 -13.285 1.498 -5.109 334 HD3 PRO 45 2HD PRO 45 -11.979 0.296 -5.125 335 H GLY 46 H GLY 46 -13.822 2.618 -7.893 336 HA2 GLY 46 1HA GLY 46 -15.361 2.479 -10.368 337 HA3 GLY 46 2HA GLY 46 -16.280 2.704 -8.887 338 H GLY 47 H GLY 47 -13.088 4.063 -9.409 339 HA2 GLY 47 1HA GLY 47 -14.154 6.664 -10.123 340 HA3 GLY 47 2HA GLY 47 -13.480 6.562 -8.503 341 H GLN 48 H GLN 48 -12.128 8.313 -9.588 342 HA GLN 48 HA GLN 48 -10.102 7.414 -11.423 343 HB2 GLN 48 1HB GLN 48 -11.152 9.822 -11.030 344 HB3 GLN 48 2HB GLN 48 -9.813 9.960 -9.899 345 HG2 GLN 48 1HG GLN 48 -8.243 9.439 -11.700 346 HG3 GLN 48 2HG GLN 48 -9.589 9.322 -12.832 347 HE21 GLN 48 1HE2 GLN 48 -7.914 11.513 -10.642 348 HE22 GLN 48 2HE2 GLN 48 -8.306 12.961 -11.499 349 H THR 49 H THR 49 -7.763 7.762 -10.918 350 HA THR 49 HA THR 49 -7.179 6.613 -8.285 351 HB THR 49 HB THR 49 -5.574 6.692 -10.840 352 HG1 THR 49 1HG THR 49 -7.349 5.066 -10.266 353 HG21 THR 49 1HG2 THR 49 -3.744 6.677 -9.542 354 HG22 THR 49 2HG2 THR 49 -4.219 5.032 -9.117 355 HG23 THR 49 3HG2 THR 49 -4.679 6.380 -8.077 356 H GLN 50 H GLN 50 -5.725 7.522 -6.870 357 HA GLN 50 HA GLN 50 -4.736 10.209 -7.567 358 HB2 GLN 50 1HB GLN 50 -6.625 10.263 -5.954 359 HB3 GLN 50 2HB GLN 50 -5.674 9.282 -4.847 360 HG2 GLN 50 1HG GLN 50 -5.663 11.686 -4.296 361 HG3 GLN 50 2HG GLN 50 -4.055 11.025 -4.592 362 HE21 GLN 50 1HE2 GLN 50 -2.813 12.359 -5.673 363 HE22 GLN 50 2HE2 GLN 50 -3.315 13.452 -6.913 364 H GLU 51 H GLU 51 -2.623 10.570 -7.279 365 HA GLU 51 HA GLU 51 -1.037 8.434 -6.039 366 HB2 GLU 51 1HB GLU 51 -0.342 10.580 -8.039 367 HB3 GLU 51 2HB GLU 51 0.883 9.613 -7.230 368 HG2 GLU 51 1HG GLU 51 0.633 8.403 -9.134 369 HG3 GLU 51 2HG GLU 51 -0.582 7.619 -8.126 370 H ILE 52 H ILE 52 0.261 8.793 -4.317 371 HA ILE 52 HA ILE 52 0.439 11.549 -3.293 372 HB ILE 52 HB ILE 52 0.157 9.112 -1.539 373 HG12 ILE 52 1HG1 ILE 52 -1.985 11.158 -2.124 374 HG13 ILE 52 2HG1 ILE 52 -1.880 9.616 -2.965 375 HG21 ILE 52 1HG2 ILE 52 0.817 11.876 -1.080 376 HG22 ILE 52 2HG2 ILE 52 -0.652 11.432 -0.213 377 HG23 ILE 52 3HG2 ILE 52 0.834 10.517 0.044 378 HD11 ILE 52 1HD1 ILE 52 -1.858 9.476 -0.028 379 HD12 ILE 52 2HD1 ILE 52 -3.361 10.025 -0.771 380 HD13 ILE 52 3HD1 ILE 52 -2.678 8.460 -1.213 381 H LEU 53 H LEU 53 2.387 12.190 -2.516 382 HA LEU 53 HA LEU 53 4.638 10.416 -3.006 383 HB2 LEU 53 1HB LEU 53 4.429 12.913 -3.666 384 HB3 LEU 53 2HB LEU 53 4.857 13.222 -1.985 385 HG LEU 53 HG LEU 53 6.606 11.484 -3.681 386 HD11 LEU 53 1HD1 LEU 53 7.896 13.742 -3.988 387 HD12 LEU 53 2HD1 LEU 53 6.285 14.442 -3.841 388 HD13 LEU 53 3HD1 LEU 53 6.624 13.272 -5.116 389 HD21 LEU 53 1HD2 LEU 53 8.264 12.827 -2.137 390 HD22 LEU 53 2HD2 LEU 53 7.392 11.417 -1.534 391 HD23 LEU 53 3HD2 LEU 53 6.816 13.041 -1.154 392 H LEU 54 H LEU 54 5.300 9.116 -1.437 393 HA LEU 54 HA LEU 54 4.927 9.925 1.355 394 HB2 LEU 54 1HB LEU 54 5.157 7.335 -0.066 395 HB3 LEU 54 2HB LEU 54 5.795 7.411 1.575 396 HG LEU 54 HG LEU 54 3.396 8.440 2.058 397 HD11 LEU 54 1HD1 LEU 54 1.777 7.006 0.668 398 HD12 LEU 54 2HD1 LEU 54 3.095 6.908 -0.499 399 HD13 LEU 54 3HD1 LEU 54 2.426 8.478 -0.056 400 HD21 LEU 54 1HD2 LEU 54 2.797 6.376 2.953 401 HD22 LEU 54 2HD2 LEU 54 4.558 6.303 2.896 402 HD23 LEU 54 3HD2 LEU 54 3.600 5.475 1.667 403 HA PRO 55 HA PRO 55 9.216 10.787 1.864 404 HB2 PRO 55 1HB PRO 55 9.388 10.478 4.556 405 HB3 PRO 55 2HB PRO 55 8.612 11.873 3.797 406 HG2 PRO 55 1HG PRO 55 7.367 9.406 4.949 407 HG3 PRO 55 2HG PRO 55 6.857 11.096 5.110 408 HD2 PRO 55 1HD PRO 55 5.679 9.377 3.381 409 HD3 PRO 55 2HD PRO 55 5.830 11.114 3.046 410 H GLY 56 H GLY 56 10.285 9.092 0.853 411 HA2 GLY 56 1HA GLY 56 10.378 6.435 1.496 412 HA3 GLY 56 2HA GLY 56 11.747 7.312 0.827 413 H GLY 57 H GLY 57 10.366 5.874 3.643 414 HA2 GLY 57 1HA GLY 57 12.736 5.421 4.963 415 HA3 GLY 57 2HA GLY 57 12.193 6.990 5.539 416 H ILE 58 H ILE 58 9.365 6.320 5.351 417 HA ILE 58 HA ILE 58 9.108 5.040 7.916 418 HB ILE 58 HB ILE 58 6.923 5.770 7.958 419 HG12 ILE 58 1HG1 ILE 58 6.959 5.590 4.942 420 HG13 ILE 58 2HG1 ILE 58 6.051 4.582 6.064 421 HG21 ILE 58 1HG2 ILE 58 7.867 7.724 5.900 422 HG22 ILE 58 2HG2 ILE 58 6.966 8.014 7.387 423 HG23 ILE 58 3HG2 ILE 58 8.680 7.606 7.460 424 HD11 ILE 58 1HD1 ILE 58 5.601 7.531 5.681 425 HD12 ILE 58 2HD1 ILE 58 4.673 6.258 4.886 426 HD13 ILE 58 3HD1 ILE 58 4.625 6.419 6.642 427 H THR 59 H THR 59 7.292 3.382 8.186 428 HA THR 59 HA THR 59 7.421 1.396 6.012 429 HB THR 59 HB THR 59 7.290 -0.357 7.842 430 HG1 THR 59 1HG THR 59 6.864 1.555 9.419 431 HG21 THR 59 1HG2 THR 59 9.659 1.362 7.268 432 HG22 THR 59 2HG2 THR 59 9.364 -0.326 6.851 433 HG23 THR 59 3HG2 THR 59 9.799 0.112 8.502 434 H SER 60 H SER 60 5.474 3.308 7.947 435 HA SER 60 HA SER 60 3.095 1.887 7.055 436 HB2 SER 60 1HB SER 60 3.173 2.741 9.930 437 HB3 SER 60 2HB SER 60 2.134 1.549 9.150 438 HG SER 60 HG SER 60 4.265 0.398 8.815 439 H HIS 61 H HIS 61 1.725 3.302 6.213 440 HA HIS 61 HA HIS 61 1.868 6.102 7.119 441 HB2 HIS 61 1HB HIS 61 2.505 5.400 4.671 442 HB3 HIS 61 2HB HIS 61 0.759 5.340 4.443 443 HD1 HIS 61 1HD HIS 61 0.526 7.369 2.962 444 HD2 HIS 61 2HD HIS 61 2.534 8.178 6.508 445 HE1 HIS 61 1HE HIS 61 0.746 9.873 3.054 446 HE2 HIS 61 2HE HIS 61 2.039 10.333 5.166 447 H GLN 62 H GLN 62 -0.080 7.285 7.288 448 HA GLN 62 HA GLN 62 -2.436 5.579 7.712 449 HB2 GLN 62 1HB GLN 62 -1.713 6.733 9.715 450 HB3 GLN 62 2HB GLN 62 -1.719 8.276 8.871 451 HG2 GLN 62 1HG GLN 62 -3.676 8.279 10.138 452 HG3 GLN 62 2HG GLN 62 -4.202 7.886 8.502 453 HE21 GLN 62 1HE2 GLN 62 -5.297 6.056 8.164 454 HE22 GLN 62 2HE2 GLN 62 -5.589 4.841 9.357 455 H LEU 63 H LEU 63 -3.767 5.605 6.023 456 HA LEU 63 HA LEU 63 -3.898 7.825 4.206 457 HB2 LEU 63 1HB LEU 63 -5.346 5.207 4.424 458 HB3 LEU 63 2HB LEU 63 -5.824 6.427 3.245 459 HG LEU 63 HG LEU 63 -3.102 5.133 3.386 460 HD11 LEU 63 1HD1 LEU 63 -5.429 3.952 2.550 461 HD12 LEU 63 2HD1 LEU 63 -3.805 3.509 2.027 462 HD13 LEU 63 3HD1 LEU 63 -4.772 4.617 1.054 463 HD21 LEU 63 1HD2 LEU 63 -2.541 6.949 2.201 464 HD22 LEU 63 2HD2 LEU 63 -4.221 7.384 1.887 465 HD23 LEU 63 3HD2 LEU 63 -3.421 6.173 0.884 466 H LEU 64 H LEU 64 -5.512 9.315 3.955 467 HA LEU 64 HA LEU 64 -7.640 9.310 5.993 468 HB2 LEU 64 1HB LEU 64 -6.427 11.798 4.828 469 HB3 LEU 64 2HB LEU 64 -7.461 11.646 6.248 470 HG LEU 64 HG LEU 64 -4.641 10.588 6.091 471 HD11 LEU 64 1HD1 LEU 64 -5.724 13.227 7.013 472 HD12 LEU 64 2HD1 LEU 64 -4.357 12.898 5.950 473 HD13 LEU 64 3HD1 LEU 64 -4.232 12.559 7.676 474 HD21 LEU 64 1HD2 LEU 64 -4.839 10.011 8.297 475 HD22 LEU 64 2HD2 LEU 64 -6.487 9.709 7.746 476 HD23 LEU 64 3HD2 LEU 64 -6.105 11.199 8.610 477 H GLY 65 H GLY 65 -9.559 10.627 5.373 478 HA2 GLY 65 1HA GLY 65 -11.284 11.091 3.932 479 HA3 GLY 65 2HA GLY 65 -10.055 11.426 2.721 480 H LEU 66 H LEU 66 -11.764 8.741 4.299 481 HA LEU 66 HA LEU 66 -11.656 7.304 1.729 482 HB2 LEU 66 1HB LEU 66 -11.637 6.060 4.474 483 HB3 LEU 66 2HB LEU 66 -11.546 5.209 2.934 484 HG LEU 66 HG LEU 66 -9.433 7.095 3.974 485 HD11 LEU 66 1HD1 LEU 66 -8.443 4.489 3.850 486 HD12 LEU 66 2HD1 LEU 66 -10.010 4.357 4.646 487 HD13 LEU 66 3HD1 LEU 66 -8.780 5.439 5.298 488 HD21 LEU 66 1HD2 LEU 66 -8.364 6.830 2.031 489 HD22 LEU 66 2HD2 LEU 66 -9.916 6.281 1.398 490 HD23 LEU 66 3HD2 LEU 66 -8.728 5.105 1.963 491 H PHE 67 H PHE 67 -13.419 5.661 1.506 492 HA PHE 67 HA PHE 67 -15.926 6.816 2.496 493 HB2 PHE 67 1HB PHE 67 -15.346 4.986 0.161 494 HB3 PHE 67 2HB PHE 67 -16.969 5.458 0.656 495 HD1 PHE 67 2HD PHE 67 -16.566 8.298 1.316 496 HD2 PHE 67 1HD PHE 67 -15.064 5.973 -1.917 497 HE1 PHE 67 2HE PHE 67 -16.395 10.330 -0.061 498 HE2 PHE 67 1HE PHE 67 -14.890 8.001 -3.300 499 HZ PHE 67 HZ PHE 67 -15.557 10.183 -2.373 500 HA PRO 68 HA PRO 68 -16.695 3.396 5.152 501 HB2 PRO 68 1HB PRO 68 -19.407 3.498 5.241 502 HB3 PRO 68 2HB PRO 68 -18.374 4.672 6.066 503 HG2 PRO 68 1HG PRO 68 -19.796 4.915 3.443 504 HG3 PRO 68 2HG PRO 68 -19.644 6.106 4.748 505 HD2 PRO 68 1HD PRO 68 -18.118 6.190 2.512 506 HD3 PRO 68 2HD PRO 68 -17.526 6.737 4.094 507 H SER 69 H SER 69 -16.479 1.333 4.580 508 HA SER 69 HA SER 69 -16.860 -0.705 3.639 509 HB2 SER 69 1HB SER 69 -19.216 -0.290 4.325 510 HB3 SER 69 2HB SER 69 -19.512 0.462 2.758 511 HG SER 69 HG SER 69 -18.859 -1.581 1.824 512 H THR 70 H THR 70 -15.479 1.331 2.190 513 HA THR 70 HA THR 70 -16.178 0.634 -0.587 514 HB THR 70 HB THR 70 -14.718 3.069 0.452 515 HG1 THR 70 1HG THR 70 -17.199 2.748 0.414 516 HG21 THR 70 1HG2 THR 70 -13.938 2.063 -1.785 517 HG22 THR 70 2HG2 THR 70 -14.370 3.772 -1.754 518 HG23 THR 70 3HG2 THR 70 -15.502 2.587 -2.406 519 H SER 71 H SER 71 -14.871 -0.821 -1.459 520 HA SER 71 HA SER 71 -12.413 -1.613 -0.308 521 HB2 SER 71 1HB SER 71 -13.863 -3.095 -1.693 522 HB3 SER 71 2HB SER 71 -13.403 -2.161 -3.116 523 HG SER 71 HG SER 71 -11.172 -2.726 -2.489 524 H TYR 72 H TYR 72 -10.320 -1.161 -0.835 525 HA TYR 72 HA TYR 72 -9.850 0.816 -2.960 526 HB2 TYR 72 1HB TYR 72 -8.991 0.930 -0.087 527 HB3 TYR 72 2HB TYR 72 -8.024 1.714 -1.331 528 HD1 TYR 72 2HD TYR 72 -8.906 3.635 -2.566 529 HD2 TYR 72 1HD TYR 72 -11.148 1.804 0.552 530 HE1 TYR 72 2HE TYR 72 -10.377 5.604 -2.476 531 HE2 TYR 72 1HE TYR 72 -12.626 3.767 0.650 532 HH TYR 72 HH TYR 72 -12.362 6.304 0.015 533 H ASN 73 H ASN 73 -7.516 0.954 -3.571 534 HA ASN 73 HA ASN 73 -6.052 -1.544 -3.102 535 HB2 ASN 73 1HB ASN 73 -7.296 -1.802 -5.220 536 HB3 ASN 73 2HB ASN 73 -6.531 -0.341 -5.838 537 HD21 ASN 73 1HD2 ASN 73 -6.436 -3.573 -5.987 538 HD22 ASN 73 2HD2 ASN 73 -4.772 -3.817 -6.384 539 H ALA 74 H ALA 74 -4.305 -0.786 -2.071 540 HA ALA 74 HA ALA 74 -3.042 1.690 -2.965 541 HB1 ALA 74 1HB ALA 74 -1.531 0.773 -0.869 542 HB2 ALA 74 2HB ALA 74 -2.877 1.906 -0.747 543 HB3 ALA 74 3HB ALA 74 -3.145 0.186 -0.468 544 H ARG 75 H ARG 75 -0.789 1.807 -3.438 545 HA ARG 75 HA ARG 75 0.547 -0.724 -4.050 546 HB2 ARG 75 1HB ARG 75 -0.721 0.377 -6.066 547 HB3 ARG 75 2HB ARG 75 0.653 1.474 -6.079 548 HG2 ARG 75 1HG ARG 75 2.166 -0.439 -6.333 549 HG3 ARG 75 2HG ARG 75 0.773 -1.522 -6.356 550 HD2 ARG 75 1HD ARG 75 1.212 0.726 -8.316 551 HD3 ARG 75 2HD ARG 75 1.667 -0.951 -8.613 552 HE ARG 75 HE ARG 75 -1.054 -0.810 -7.885 553 HH11 ARG 75 2HH1 ARG 75 1.098 -0.065 -10.518 554 HH12 ARG 75 1HH1 ARG 75 -0.118 -0.251 -11.738 555 HH21 ARG 75 2HH2 ARG 75 -2.665 -1.057 -9.482 556 HH22 ARG 75 1HH2 ARG 75 -2.259 -0.814 -11.147 557 H LEU 76 H LEU 76 2.364 -0.628 -2.910 558 HA LEU 76 HA LEU 76 3.652 1.929 -2.398 559 HB2 LEU 76 1HB LEU 76 3.301 0.170 -0.634 560 HB3 LEU 76 2HB LEU 76 4.510 -0.803 -1.469 561 HG LEU 76 HG LEU 76 6.047 1.259 -1.117 562 HD11 LEU 76 1HD1 LEU 76 3.960 2.545 -0.240 563 HD12 LEU 76 2HD1 LEU 76 5.526 2.772 0.539 564 HD13 LEU 76 3HD1 LEU 76 4.321 1.716 1.275 565 HD21 LEU 76 1HD2 LEU 76 5.742 -1.117 0.168 566 HD22 LEU 76 2HD2 LEU 76 5.569 0.025 1.501 567 HD23 LEU 76 3HD2 LEU 76 7.023 0.049 0.501 568 H GLN 77 H GLN 77 5.015 2.688 -3.872 569 HA GLN 77 HA GLN 77 6.877 0.799 -5.152 570 HB2 GLN 77 1HB GLN 77 4.947 1.918 -6.568 571 HB3 GLN 77 2HB GLN 77 6.044 3.291 -6.573 572 HG2 GLN 77 1HG GLN 77 7.801 1.551 -7.361 573 HG3 GLN 77 2HG GLN 77 6.386 0.593 -7.795 574 HE21 GLN 77 1HE2 GLN 77 7.721 1.034 -9.884 575 HE22 GLN 77 2HE2 GLN 77 7.155 2.362 -10.834 576 H ALA 78 H ALA 78 8.953 1.246 -4.832 577 HA ALA 78 HA ALA 78 9.660 3.866 -3.715 578 HB1 ALA 78 1HB ALA 78 11.878 2.133 -3.607 579 HB2 ALA 78 2HB ALA 78 10.857 2.677 -2.275 580 HB3 ALA 78 3HB ALA 78 10.467 1.187 -3.133 581 H MET 79 H MET 79 11.230 5.159 -4.609 582 HA MET 79 HA MET 79 11.821 4.655 -7.410 583 HB2 MET 79 1HB MET 79 12.489 7.067 -5.715 584 HB3 MET 79 2HB MET 79 12.594 6.961 -7.467 585 HG2 MET 79 1HG MET 79 10.101 6.481 -7.433 586 HG3 MET 79 2HG MET 79 10.138 6.996 -5.749 587 HE1 MET 79 1HE MET 79 10.630 9.161 -4.886 588 HE2 MET 79 2HE MET 79 10.318 10.667 -5.748 589 HE3 MET 79 3HE MET 79 9.014 9.504 -5.505 590 H TRP 80 H TRP 80 13.642 3.729 -8.052 591 HA TRP 80 HA TRP 80 16.019 3.956 -6.324 592 HB2 TRP 80 1HB TRP 80 14.902 1.612 -7.823 593 HB3 TRP 80 2HB TRP 80 16.636 1.714 -7.533 594 HD1 TRP 80 HD TRP 80 17.435 1.668 -4.925 595 HE1 TRP 80 1HE TRP 80 16.325 0.602 -2.862 596 HE3 TRP 80 3HE TRP 80 12.703 1.072 -6.766 597 HZ2 TRP 80 2HZ TRP 80 13.780 -0.364 -2.114 598 HZ3 TRP 80 3HZ TRP 80 10.990 0.068 -5.313 599 HH2 TRP 80 HH TRP 80 11.519 -0.634 -3.035 600 H GLY 81 H GLY 81 18.076 4.002 -7.390 601 HA2 GLY 81 1HA GLY 81 18.480 5.802 -9.333 602 HA3 GLY 81 2HA GLY 81 19.529 4.402 -9.159 603 H GLN 82 H GLN 82 17.559 6.068 -11.253 604 HA GLN 82 HA GLN 82 16.404 5.504 -13.177 605 HB2 GLN 82 1HB GLN 82 17.985 4.320 -14.779 606 HB3 GLN 82 2HB GLN 82 18.573 5.813 -14.060 607 HG2 GLN 82 1HG GLN 82 20.016 4.668 -12.601 608 HG3 GLN 82 2HG GLN 82 19.231 3.121 -12.915 609 HE21 GLN 82 1HE2 GLN 82 21.747 2.874 -13.159 610 HE22 GLN 82 2HE2 GLN 82 22.307 2.932 -14.792 611 H SER 83 H SER 83 15.484 3.842 -11.188 612 HA SER 83 HA SER 83 14.632 1.568 -12.728 613 HB2 SER 83 1HB SER 83 16.393 1.204 -10.303 614 HB3 SER 83 2HB SER 83 15.321 -0.065 -10.895 615 HG SER 83 HG SER 83 16.513 0.548 -13.014 616 H LEU 84 H LEU 84 12.773 0.584 -11.896 617 HA LEU 84 HA LEU 84 11.644 1.794 -9.466 618 HB2 LEU 84 1HB LEU 84 10.114 1.286 -12.012 619 HB3 LEU 84 2HB LEU 84 9.481 1.989 -10.525 620 HG LEU 84 HG LEU 84 11.598 3.282 -12.241 621 HD11 LEU 84 1HD1 LEU 84 9.395 4.836 -12.493 622 HD12 LEU 84 2HD1 LEU 84 8.670 3.229 -12.459 623 HD13 LEU 84 3HD1 LEU 84 9.896 3.617 -13.665 624 HD21 LEU 84 1HD2 LEU 84 10.058 4.114 -9.805 625 HD22 LEU 84 2HD2 LEU 84 10.740 5.304 -10.913 626 HD23 LEU 84 3HD2 LEU 84 11.799 4.159 -10.088 627 H LEU 85 H LEU 85 12.443 -0.263 -8.572 628 HA LEU 85 HA LEU 85 11.875 -2.804 -9.202 629 HB2 LEU 85 1HB LEU 85 11.421 -1.638 -6.460 630 HB3 LEU 85 2HB LEU 85 11.724 -3.334 -6.831 631 HG LEU 85 HG LEU 85 13.662 -1.038 -7.093 632 HD11 LEU 85 1HD1 LEU 85 13.966 -3.518 -5.437 633 HD12 LEU 85 2HD1 LEU 85 13.125 -2.096 -4.821 634 HD13 LEU 85 3HD1 LEU 85 14.818 -1.980 -5.301 635 HD21 LEU 85 1HD2 LEU 85 13.883 -2.657 -8.950 636 HD22 LEU 85 2HD2 LEU 85 14.098 -3.946 -7.765 637 HD23 LEU 85 3HD2 LEU 85 15.282 -2.643 -7.875 638 HA PRO 86 HA PRO 86 7.543 -3.461 -9.486 639 HB2 PRO 86 1HB PRO 86 7.363 -6.043 -8.668 640 HB3 PRO 86 2HB PRO 86 8.039 -5.576 -10.233 641 HG2 PRO 86 1HG PRO 86 9.456 -6.283 -7.693 642 HG3 PRO 86 2HG PRO 86 9.833 -6.768 -9.356 643 HD2 PRO 86 1HD PRO 86 11.160 -4.781 -8.082 644 HD3 PRO 86 2HD PRO 86 10.879 -4.770 -9.835 645 HA PRO 87 HA PRO 87 6.381 -2.500 -5.232 646 HB2 PRO 87 1HB PRO 87 3.968 -1.446 -5.892 647 HB3 PRO 87 2HB PRO 87 5.482 -0.547 -6.042 648 HG2 PRO 87 1HG PRO 87 3.917 -1.987 -8.149 649 HG3 PRO 87 2HG PRO 87 4.705 -0.400 -8.228 650 HD2 PRO 87 1HD PRO 87 5.813 -2.631 -9.289 651 HD3 PRO 87 2HD PRO 87 6.787 -1.312 -8.608 652 H VAL 88 H VAL 88 4.166 -2.854 -4.068 653 HA VAL 88 HA VAL 88 3.068 -5.459 -4.906 654 HB VAL 88 HB VAL 88 2.708 -5.829 -2.387 655 HG11 VAL 88 1HG1 VAL 88 5.614 -5.876 -3.021 656 HG12 VAL 88 2HG1 VAL 88 4.589 -7.130 -2.320 657 HG13 VAL 88 3HG1 VAL 88 4.515 -6.793 -4.051 658 HG21 VAL 88 1HG2 VAL 88 3.530 -3.325 -2.070 659 HG22 VAL 88 2HG2 VAL 88 3.803 -4.561 -0.842 660 HG23 VAL 88 3HG2 VAL 88 5.098 -4.123 -1.956 661 H SER 89 H SER 89 0.912 -5.603 -5.016 662 HA SER 89 HA SER 89 -0.652 -3.269 -4.178 663 HB2 SER 89 1HB SER 89 -2.376 -4.087 -5.709 664 HB3 SER 89 2HB SER 89 -0.827 -3.966 -6.544 665 HG SER 89 HG SER 89 -0.643 -6.304 -5.908 666 H THR 90 H THR 90 -2.301 -3.393 -2.737 667 HA THR 90 HA THR 90 -3.106 -6.014 -1.716 668 HB THR 90 HB THR 90 -1.244 -5.083 -0.272 669 HG1 THR 90 1HG THR 90 -3.259 -6.452 0.370 670 HG21 THR 90 1HG2 THR 90 -3.386 -3.130 0.575 671 HG22 THR 90 2HG2 THR 90 -1.977 -2.715 -0.401 672 HG23 THR 90 3HG2 THR 90 -1.767 -3.283 1.255 673 H SER 91 H SER 91 -5.239 -6.142 -1.454 674 HA SER 91 HA SER 91 -6.806 -3.673 -1.615 675 HB2 SER 91 1HB SER 91 -8.675 -5.079 -2.257 676 HB3 SER 91 2HB SER 91 -7.272 -5.515 -3.233 677 HG SER 91 HG SER 91 -8.651 -6.990 -1.367 678 H PHE 92 H PHE 92 -8.316 -3.090 -0.097 679 HA PHE 92 HA PHE 92 -8.827 -4.800 2.188 680 HB2 PHE 92 1HB PHE 92 -8.083 -3.159 3.842 681 HB3 PHE 92 2HB PHE 92 -6.740 -3.656 2.817 682 HD1 PHE 92 1HD PHE 92 -5.994 -2.132 0.970 683 HD2 PHE 92 2HD PHE 92 -8.729 -0.910 3.994 684 HE1 PHE 92 1HE PHE 92 -5.527 0.224 0.435 685 HE2 PHE 92 2HE PHE 92 -8.268 1.447 3.464 686 HZ PHE 92 HZ PHE 92 -6.666 2.018 1.682 687 H THR 93 H THR 93 -10.801 -4.454 3.044 688 HA THR 93 HA THR 93 -12.402 -2.306 1.859 689 HB THR 93 HB THR 93 -13.348 -4.700 3.446 690 HG1 THR 93 1HG THR 93 -13.198 -4.259 0.632 691 HG21 THR 93 1HG2 THR 93 -15.174 -3.357 3.566 692 HG22 THR 93 2HG2 THR 93 -15.442 -3.966 1.932 693 HG23 THR 93 3HG2 THR 93 -14.688 -2.390 2.174 694 H THR 94 H THR 94 -13.188 -0.650 3.015 695 HA THR 94 HA THR 94 -12.319 -0.327 5.745 696 HB THR 94 HB THR 94 -13.458 1.896 5.582 697 HG1 THR 94 1HG THR 94 -14.775 2.241 3.968 698 HG21 THR 94 1HG2 THR 94 -11.156 0.955 4.149 699 HG22 THR 94 2HG2 THR 94 -11.424 2.520 4.918 700 HG23 THR 94 3HG2 THR 94 -11.928 2.260 3.248 701 H GLY 95 H GLY 95 -13.752 0.249 7.504 702 HA2 GLY 95 1HA GLY 95 -15.990 -1.525 7.673 703 HA3 GLY 95 2HA GLY 95 -15.464 -0.393 8.910 704 H GLY 96 H GLY 96 -17.606 0.209 9.371 705 HA2 GLY 96 1HA GLY 96 -18.791 1.965 7.313 706 HA3 GLY 96 2HA GLY 96 -19.783 0.879 8.274 707 H LEU 97 H LEU 97 -19.278 3.967 7.948 708 HA LEU 97 HA LEU 97 -18.432 5.060 10.336 709 HB2 LEU 97 1HB LEU 97 -20.563 5.955 8.414 710 HB3 LEU 97 2HB LEU 97 -20.065 6.924 9.799 711 HG LEU 97 HG LEU 97 -18.304 6.097 7.492 712 HD11 LEU 97 1HD1 LEU 97 -19.244 7.829 6.460 713 HD12 LEU 97 2HD1 LEU 97 -18.424 8.854 7.637 714 HD13 LEU 97 3HD1 LEU 97 -20.087 8.343 7.922 715 HD21 LEU 97 1HD2 LEU 97 -16.778 6.298 9.181 716 HD22 LEU 97 2HD2 LEU 97 -17.774 7.427 10.100 717 HD23 LEU 97 3HD2 LEU 97 -16.893 7.984 8.676 718 H ARG 98 H ARG 98 -19.122 4.908 12.358 719 HA ARG 98 HA ARG 98 -21.945 4.791 12.971 720 HB2 ARG 98 1HB ARG 98 -21.677 2.744 14.393 721 HB3 ARG 98 2HB ARG 98 -21.571 2.447 12.663 722 HG2 ARG 98 1HG ARG 98 -18.993 2.738 13.113 723 HG3 ARG 98 2HG ARG 98 -19.467 2.284 14.752 724 HD2 ARG 98 1HD ARG 98 -20.471 0.665 12.461 725 HD3 ARG 98 2HD ARG 98 -18.795 0.465 12.972 726 HE ARG 98 HE ARG 98 -20.252 0.280 15.278 727 HH11 ARG 98 2HH1 ARG 98 -20.249 -1.372 12.213 728 HH12 ARG 98 1HH1 ARG 98 -20.806 -2.873 12.874 729 HH21 ARG 98 2HH2 ARG 98 -20.985 -1.692 16.160 730 HH22 ARG 98 1HH2 ARG 98 -21.226 -3.054 15.119 731 H ILE 99 H ILE 99 -22.269 4.719 15.410 732 HA ILE 99 HA ILE 99 -20.015 5.933 16.846 733 HB ILE 99 HB ILE 99 -22.830 7.026 16.901 734 HG12 ILE 99 1HG1 ILE 99 -20.416 8.512 15.914 735 HG13 ILE 99 2HG1 ILE 99 -21.291 7.433 14.833 736 HG21 ILE 99 1HG2 ILE 99 -20.868 8.774 18.008 737 HG22 ILE 99 2HG2 ILE 99 -22.273 8.049 18.788 738 HG23 ILE 99 3HG2 ILE 99 -20.730 7.195 18.780 739 HD11 ILE 99 1HD1 ILE 99 -21.838 10.077 15.244 740 HD12 ILE 99 2HD1 ILE 99 -22.949 8.892 14.555 741 HD13 ILE 99 3HD1 ILE 99 -23.023 9.276 16.275 742 H SER 100 H SER 100 -19.810 5.311 18.930 743 HA SER 100 HA SER 100 -21.997 3.735 20.113 744 HB2 SER 100 1HB SER 100 -19.837 2.494 19.200 745 HB3 SER 100 2HB SER 100 -19.167 3.018 20.744 746 HG SER 100 HG SER 100 -21.415 2.067 21.442 747 H GLY 101 H GLY 101 -21.892 3.581 22.484 748 HA2 GLY 101 1HA GLY 101 -20.245 5.533 23.863 749 HA3 GLY 101 2HA GLY 101 -21.963 5.902 23.828 750 HA PRO 102 HA PRO 102 -21.234 1.858 26.443 751 HB2 PRO 102 1HB PRO 102 -18.752 1.685 27.528 752 HB3 PRO 102 2HB PRO 102 -19.173 0.958 25.973 753 HG2 PRO 102 1HG PRO 102 -17.771 3.542 26.538 754 HG3 PRO 102 2HG PRO 102 -17.395 2.308 25.321 755 HD2 PRO 102 1HD PRO 102 -18.717 4.594 24.719 756 HD3 PRO 102 2HD PRO 102 -19.020 3.064 23.871 757 H SER 103 H SER 103 -19.171 4.603 27.412 758 HA SER 103 HA SER 103 -20.913 5.491 29.439 759 HB2 SER 103 1HB SER 103 -19.779 4.799 31.441 760 HB3 SER 103 2HB SER 103 -20.100 3.349 30.489 761 HG SER 103 HG SER 103 -17.817 3.973 29.641 762 H SER 104 H SER 104 -19.584 6.962 31.057 763 HA SER 104 HA SER 104 -18.495 9.043 29.610 764 HB2 SER 104 1HB SER 104 -17.561 9.837 31.798 765 HB3 SER 104 2HB SER 104 -19.266 9.394 31.869 766 HG SER 104 HG SER 104 -18.675 7.437 32.818 767 H GLY 105 H GLY 105 -16.810 6.391 31.255 768 HA2 GLY 105 1HA GLY 105 -14.788 5.419 30.603 769 HA3 GLY 105 2HA GLY 105 -14.554 6.731 29.457 Start of MODEL 4 1 H1 GLY 1 H GLY 1 24.562 -10.956 -19.632 2 HA2 GLY 1 1HA GLY 1 24.295 -13.574 -18.326 3 HA3 GLY 1 2HA GLY 1 25.361 -12.275 -17.811 4 H SER 2 H SER 2 21.910 -13.055 -18.171 5 HA SER 2 HA SER 2 21.313 -11.223 -15.960 6 HB2 SER 2 1HB SER 2 19.577 -12.516 -18.064 7 HB3 SER 2 2HB SER 2 18.903 -11.673 -16.669 8 HG SER 2 HG SER 2 19.202 -10.390 -18.636 9 H SER 3 H SER 3 21.587 -12.222 -14.058 10 HA SER 3 HA SER 3 20.854 -15.013 -13.729 11 HB2 SER 3 1HB SER 3 22.166 -12.993 -11.909 12 HB3 SER 3 2HB SER 3 21.707 -14.605 -11.362 13 HG SER 3 HG SER 3 23.700 -14.961 -12.057 14 H GLY 4 H GLY 4 20.049 -11.935 -12.109 15 HA2 GLY 4 1HA GLY 4 17.422 -11.823 -12.076 16 HA3 GLY 4 2HA GLY 4 17.650 -13.187 -10.992 17 H SER 5 H SER 5 19.261 -12.736 -9.167 18 HA SER 5 HA SER 5 18.287 -10.487 -7.709 19 HB2 SER 5 1HB SER 5 18.897 -12.635 -6.630 20 HB3 SER 5 2HB SER 5 20.587 -12.338 -7.035 21 HG SER 5 HG SER 5 19.984 -11.695 -4.878 22 H SER 6 H SER 6 19.024 -8.477 -7.721 23 HA SER 6 HA SER 6 21.568 -7.901 -9.026 24 HB2 SER 6 1HB SER 6 20.704 -5.470 -8.650 25 HB3 SER 6 2HB SER 6 19.922 -6.476 -9.869 26 HG SER 6 HG SER 6 18.281 -5.650 -8.687 27 H GLY 7 H GLY 7 19.935 -6.473 -6.194 28 HA2 GLY 7 1HA GLY 7 22.051 -7.093 -4.395 29 HA3 GLY 7 2HA GLY 7 22.196 -5.441 -4.976 30 H LEU 8 H LEU 8 19.311 -5.056 -5.198 31 HA LEU 8 HA LEU 8 18.717 -4.773 -2.330 32 HB2 LEU 8 1HB LEU 8 16.983 -3.081 -3.441 33 HB3 LEU 8 2HB LEU 8 18.627 -2.622 -3.001 34 HG LEU 8 HG LEU 8 19.351 -2.784 -5.279 35 HD11 LEU 8 1HD1 LEU 8 18.285 -3.870 -6.937 36 HD12 LEU 8 2HD1 LEU 8 16.688 -3.354 -6.397 37 HD13 LEU 8 3HD1 LEU 8 17.492 -4.707 -5.603 38 HD21 LEU 8 1HD2 LEU 8 16.772 -1.415 -5.729 39 HD22 LEU 8 2HD2 LEU 8 18.421 -0.847 -5.987 40 HD23 LEU 8 3HD2 LEU 8 17.734 -0.853 -4.362 41 H GLU 9 H GLU 9 16.223 -4.551 -1.982 42 HA GLU 9 HA GLU 9 14.776 -6.510 -3.614 43 HB2 GLU 9 1HB GLU 9 15.332 -6.663 -0.680 44 HB3 GLU 9 2HB GLU 9 13.803 -7.280 -1.291 45 HG2 GLU 9 1HG GLU 9 15.180 -8.652 -2.921 46 HG3 GLU 9 2HG GLU 9 16.578 -8.214 -1.940 47 H ALA 10 H ALA 10 12.405 -6.508 -3.097 48 HA ALA 10 HA ALA 10 11.524 -3.739 -2.770 49 HB1 ALA 10 1HB ALA 10 10.219 -4.253 -4.488 50 HB2 ALA 10 2HB ALA 10 10.687 -5.951 -4.391 51 HB3 ALA 10 3HB ALA 10 9.329 -5.354 -3.437 52 HA PRO 11 HA PRO 11 9.475 -4.260 1.076 53 HB2 PRO 11 1HB PRO 11 7.027 -3.156 0.678 54 HB3 PRO 11 2HB PRO 11 8.509 -2.197 0.777 55 HG2 PRO 11 1HG PRO 11 7.001 -3.108 -1.643 56 HG3 PRO 11 2HG PRO 11 7.731 -1.527 -1.309 57 HD2 PRO 11 1HD PRO 11 8.921 -3.377 -2.888 58 HD3 PRO 11 2HD PRO 11 9.846 -2.242 -1.885 59 H ARG 12 H ARG 12 8.411 -5.818 2.163 60 HA ARG 12 HA ARG 12 6.354 -7.368 0.747 61 HB2 ARG 12 1HB ARG 12 7.264 -9.447 1.529 62 HB3 ARG 12 2HB ARG 12 8.548 -8.563 0.715 63 HG2 ARG 12 1HG ARG 12 9.718 -8.204 2.643 64 HG3 ARG 12 2HG ARG 12 8.275 -8.261 3.658 65 HD2 ARG 12 1HD ARG 12 9.508 -10.228 4.128 66 HD3 ARG 12 2HD ARG 12 8.141 -10.720 3.129 67 HE ARG 12 HE ARG 12 10.404 -10.183 1.517 68 HH11 ARG 12 2HH1 ARG 12 9.112 -12.536 3.734 69 HH12 ARG 12 1HH1 ARG 12 9.979 -13.863 3.035 70 HH21 ARG 12 2HH2 ARG 12 11.551 -11.922 0.588 71 HH22 ARG 12 1HH2 ARG 12 11.366 -13.513 1.246 72 H ASP 13 H ASP 13 5.409 -9.023 2.505 73 HA ASP 13 HA ASP 13 4.039 -9.230 4.310 74 HB2 ASP 13 1HB ASP 13 6.401 -7.766 5.396 75 HB3 ASP 13 2HB ASP 13 4.969 -7.901 6.412 76 H LEU 14 H LEU 14 3.240 -7.342 2.458 77 HA LEU 14 HA LEU 14 2.498 -4.907 3.821 78 HB2 LEU 14 1HB LEU 14 3.012 -4.765 1.488 79 HB3 LEU 14 2HB LEU 14 1.829 -6.013 1.102 80 HG LEU 14 HG LEU 14 0.057 -4.399 1.921 81 HD11 LEU 14 1HD1 LEU 14 1.783 -2.109 1.363 82 HD12 LEU 14 2HD1 LEU 14 2.182 -2.962 2.854 83 HD13 LEU 14 3HD1 LEU 14 0.553 -2.331 2.608 84 HD21 LEU 14 1HD2 LEU 14 -0.246 -3.637 -0.200 85 HD22 LEU 14 2HD2 LEU 14 1.000 -4.843 -0.523 86 HD23 LEU 14 3HD2 LEU 14 1.436 -3.139 -0.383 87 H GLU 15 H GLU 15 0.883 -4.871 5.230 88 HA GLU 15 HA GLU 15 -1.602 -6.275 4.563 89 HB2 GLU 15 1HB GLU 15 -1.846 -7.184 6.763 90 HB3 GLU 15 2HB GLU 15 -0.262 -7.657 6.166 91 HG2 GLU 15 1HG GLU 15 -0.509 -5.194 7.817 92 HG3 GLU 15 2HG GLU 15 -0.571 -6.771 8.603 93 H ALA 16 H ALA 16 -3.474 -5.284 5.276 94 HA ALA 16 HA ALA 16 -3.182 -2.483 5.986 95 HB1 ALA 16 1HB ALA 16 -5.516 -4.164 5.118 96 HB2 ALA 16 2HB ALA 16 -5.708 -2.505 5.684 97 HB3 ALA 16 3HB ALA 16 -4.731 -2.841 4.256 98 H LYS 17 H LYS 17 -3.281 -1.764 8.001 99 HA LYS 17 HA LYS 17 -4.704 -3.388 10.008 100 HB2 LYS 17 1HB LYS 17 -2.367 -1.565 10.573 101 HB3 LYS 17 2HB LYS 17 -3.103 -2.735 11.660 102 HG2 LYS 17 1HG LYS 17 -2.385 -4.426 9.769 103 HG3 LYS 17 2HG LYS 17 -1.212 -3.156 9.411 104 HD2 LYS 17 1HD LYS 17 -0.166 -3.365 11.469 105 HD3 LYS 17 2HD LYS 17 -1.578 -4.110 12.223 106 HE2 LYS 17 1HE LYS 17 -1.201 -6.112 10.790 107 HE3 LYS 17 2HE LYS 17 0.290 -5.366 10.216 108 HZ1 LYS 17 1HZ LYS 17 1.283 -6.296 11.948 109 HZ2 LYS 17 2HZ LYS 17 -0.185 -6.798 12.621 110 HZ3 LYS 17 3HZ LYS 17 0.418 -5.254 12.962 111 H GLU 18 H GLU 18 -5.452 -2.096 11.918 112 HA GLU 18 HA GLU 18 -6.941 -0.537 12.673 113 HB2 GLU 18 1HB GLU 18 -4.912 1.296 11.383 114 HB3 GLU 18 2HB GLU 18 -6.129 1.796 12.548 115 HG2 GLU 18 1HG GLU 18 -3.993 -0.243 13.115 116 HG3 GLU 18 2HG GLU 18 -3.854 1.472 13.497 117 H VAL 19 H VAL 19 -7.769 -1.654 10.279 118 HA VAL 19 HA VAL 19 -8.485 0.303 8.340 119 HB VAL 19 HB VAL 19 -9.665 -2.433 8.843 120 HG11 VAL 19 1HG1 VAL 19 -10.383 -0.306 6.996 121 HG12 VAL 19 2HG1 VAL 19 -10.001 -1.820 6.176 122 HG13 VAL 19 3HG1 VAL 19 -11.253 -1.780 7.417 123 HG21 VAL 19 1HG2 VAL 19 -8.249 -3.101 6.926 124 HG22 VAL 19 2HG2 VAL 19 -7.521 -1.495 6.939 125 HG23 VAL 19 3HG2 VAL 19 -7.311 -2.569 8.322 126 H THR 20 H THR 20 -10.010 1.799 8.476 127 HA THR 20 HA THR 20 -12.430 1.248 10.039 128 HB THR 20 HB THR 20 -12.216 3.847 10.606 129 HG1 THR 20 1HG THR 20 -9.990 4.269 11.127 130 HG21 THR 20 1HG2 THR 20 -12.481 2.720 12.534 131 HG22 THR 20 2HG2 THR 20 -10.725 2.825 12.661 132 HG23 THR 20 3HG2 THR 20 -11.476 1.376 11.993 133 HA PRO 21 HA PRO 21 -14.628 3.022 6.680 134 HB2 PRO 21 1HB PRO 21 -16.698 4.241 7.944 135 HB3 PRO 21 2HB PRO 21 -16.562 2.485 7.798 136 HG2 PRO 21 1HG PRO 21 -15.869 4.251 10.113 137 HG3 PRO 21 2HG PRO 21 -16.707 2.689 10.110 138 HD2 PRO 21 1HD PRO 21 -14.085 2.935 10.741 139 HD3 PRO 21 2HD PRO 21 -14.743 1.494 9.939 140 H ARG 22 H ARG 22 -12.943 4.907 8.842 141 HA ARG 22 HA ARG 22 -13.576 7.369 7.349 142 HB2 ARG 22 1HB ARG 22 -12.636 7.110 10.212 143 HB3 ARG 22 2HB ARG 22 -12.883 8.627 9.358 144 HG2 ARG 22 1HG ARG 22 -15.196 8.382 9.336 145 HG3 ARG 22 2HG ARG 22 -15.109 6.649 9.657 146 HD2 ARG 22 1HD ARG 22 -14.220 7.154 11.910 147 HD3 ARG 22 2HD ARG 22 -14.430 8.872 11.578 148 HE ARG 22 HE ARG 22 -16.844 7.393 11.209 149 HH11 ARG 22 2HH1 ARG 22 -14.792 8.880 13.595 150 HH12 ARG 22 1HH1 ARG 22 -16.074 9.126 14.734 151 HH21 ARG 22 2HH2 ARG 22 -18.541 7.711 12.700 152 HH22 ARG 22 1HH2 ARG 22 -18.206 8.461 14.224 153 H THR 23 H THR 23 -11.139 5.194 8.494 154 HA THR 23 HA THR 23 -9.176 6.439 6.773 155 HB THR 23 HB THR 23 -7.446 6.622 8.524 156 HG1 THR 23 1HG THR 23 -7.872 6.126 10.572 157 HG21 THR 23 1HG2 THR 23 -9.055 8.523 7.841 158 HG22 THR 23 2HG2 THR 23 -8.092 8.725 9.305 159 HG23 THR 23 3HG2 THR 23 -9.790 8.264 9.422 160 H ALA 24 H ALA 24 -7.172 5.142 6.633 161 HA ALA 24 HA ALA 24 -7.351 2.415 7.636 162 HB1 ALA 24 1HB ALA 24 -7.526 1.324 5.632 163 HB2 ALA 24 2HB ALA 24 -8.520 2.744 5.303 164 HB3 ALA 24 3HB ALA 24 -6.860 2.674 4.712 165 H LEU 25 H LEU 25 -5.407 1.772 8.286 166 HA LEU 25 HA LEU 25 -3.050 3.207 7.274 167 HB2 LEU 25 1HB LEU 25 -3.217 3.438 9.614 168 HB3 LEU 25 2HB LEU 25 -3.601 1.732 9.832 169 HG LEU 25 HG LEU 25 -1.208 1.314 8.956 170 HD11 LEU 25 1HD1 LEU 25 -0.465 3.917 10.109 171 HD12 LEU 25 2HD1 LEU 25 -1.191 3.970 8.503 172 HD13 LEU 25 3HD1 LEU 25 0.261 3.009 8.783 173 HD21 LEU 25 1HD2 LEU 25 -2.114 2.232 11.622 174 HD22 LEU 25 2HD2 LEU 25 -0.375 2.091 11.364 175 HD23 LEU 25 3HD2 LEU 25 -1.419 0.688 11.128 176 H LEU 26 H LEU 26 -1.377 2.152 6.329 177 HA LEU 26 HA LEU 26 -1.622 -0.771 6.049 178 HB2 LEU 26 1HB LEU 26 -1.099 1.357 4.045 179 HB3 LEU 26 2HB LEU 26 -0.262 -0.181 3.846 180 HG LEU 26 HG LEU 26 -3.217 -0.211 4.223 181 HD11 LEU 26 1HD1 LEU 26 -1.801 1.033 1.964 182 HD12 LEU 26 2HD1 LEU 26 -3.457 1.249 2.529 183 HD13 LEU 26 3HD1 LEU 26 -3.042 -0.145 1.532 184 HD21 LEU 26 1HD2 LEU 26 -3.092 -2.263 3.237 185 HD22 LEU 26 2HD2 LEU 26 -1.475 -2.184 3.937 186 HD23 LEU 26 3HD2 LEU 26 -1.716 -1.820 2.227 187 H THR 27 H THR 27 0.046 -1.897 6.789 188 HA THR 27 HA THR 27 2.587 -0.488 7.261 189 HB THR 27 HB THR 27 3.080 -2.200 8.946 190 HG1 THR 27 1HG THR 27 1.973 -3.994 8.921 191 HG21 THR 27 1HG2 THR 27 0.316 -1.110 9.449 192 HG22 THR 27 2HG2 THR 27 1.767 -0.109 9.493 193 HG23 THR 27 3HG2 THR 27 1.583 -1.445 10.629 194 H TRP 28 H TRP 28 4.408 -1.161 6.294 195 HA TRP 28 HA TRP 28 4.416 -3.786 4.975 196 HB2 TRP 28 1HB TRP 28 5.335 -2.887 2.953 197 HB3 TRP 28 2HB TRP 28 3.895 -1.948 3.337 198 HD1 TRP 28 HD TRP 28 7.717 -1.660 3.245 199 HE1 TRP 28 1HE TRP 28 8.349 0.835 3.266 200 HE3 TRP 28 3HE TRP 28 3.082 0.346 4.040 201 HZ2 TRP 28 2HZ TRP 28 7.055 3.324 3.578 202 HZ3 TRP 28 3HZ TRP 28 2.865 2.792 4.188 203 HH2 TRP 28 HH TRP 28 4.812 4.249 3.962 204 H THR 29 H THR 29 6.558 -4.613 4.512 205 HA THR 29 HA THR 29 8.466 -3.789 6.563 206 HB THR 29 HB THR 29 8.266 -6.257 4.841 207 HG1 THR 29 1HG THR 29 8.478 -6.228 7.644 208 HG21 THR 29 1HG2 THR 29 10.539 -6.217 4.914 209 HG22 THR 29 2HG2 THR 29 10.256 -6.882 6.524 210 HG23 THR 29 3HG2 THR 29 10.583 -5.160 6.325 211 H GLU 30 H GLU 30 9.989 -2.375 6.034 212 HA GLU 30 HA GLU 30 10.649 -1.717 3.352 213 HB2 GLU 30 1HB GLU 30 11.662 -0.929 6.048 214 HB3 GLU 30 2HB GLU 30 12.646 -0.553 4.640 215 HG2 GLU 30 1HG GLU 30 10.369 0.416 3.736 216 HG3 GLU 30 2HG GLU 30 10.007 0.529 5.458 217 HA PRO 31 HA PRO 31 13.696 -4.772 2.463 218 HB2 PRO 31 1HB PRO 31 14.993 -3.481 0.458 219 HB3 PRO 31 2HB PRO 31 13.394 -4.206 0.257 220 HG2 PRO 31 1HG PRO 31 14.129 -1.347 0.753 221 HG3 PRO 31 2HG PRO 31 12.927 -2.014 -0.366 222 HD2 PRO 31 1HD PRO 31 12.254 -0.959 2.035 223 HD3 PRO 31 2HD PRO 31 11.354 -2.298 1.294 224 HA PRO 32 HA PRO 32 17.513 -3.803 4.418 225 HB2 PRO 32 1HB PRO 32 19.344 -5.076 2.869 226 HB3 PRO 32 2HB PRO 32 18.218 -5.934 3.927 227 HG2 PRO 32 1HG PRO 32 18.051 -5.450 0.978 228 HG3 PRO 32 2HG PRO 32 17.699 -6.930 1.890 229 HD2 PRO 32 1HD PRO 32 15.755 -5.261 1.015 230 HD3 PRO 32 2HD PRO 32 15.606 -6.195 2.517 231 H VAL 33 H VAL 33 16.796 -2.566 1.388 232 HA VAL 33 HA VAL 33 19.149 -0.794 1.484 233 HB VAL 33 HB VAL 33 17.802 -1.952 -0.954 234 HG11 VAL 33 1HG1 VAL 33 20.026 -0.370 -1.682 235 HG12 VAL 33 2HG1 VAL 33 18.328 -0.124 -2.098 236 HG13 VAL 33 3HG1 VAL 33 18.998 0.618 -0.644 237 HG21 VAL 33 1HG2 VAL 33 20.072 -2.738 -1.477 238 HG22 VAL 33 2HG2 VAL 33 20.648 -2.056 0.045 239 HG23 VAL 33 3HG2 VAL 33 19.486 -3.382 0.057 240 H ARG 34 H ARG 34 18.288 1.005 2.369 241 HA ARG 34 HA ARG 34 15.683 1.940 2.089 242 HB2 ARG 34 1HB ARG 34 17.701 2.687 3.635 243 HB3 ARG 34 2HB ARG 34 17.908 3.905 2.383 244 HG2 ARG 34 1HG ARG 34 16.551 4.991 3.885 245 HG3 ARG 34 2HG ARG 34 15.373 4.334 2.746 246 HD2 ARG 34 1HD ARG 34 14.463 3.794 4.813 247 HD3 ARG 34 2HD ARG 34 15.292 2.311 4.343 248 HE ARG 34 HE ARG 34 16.944 4.037 5.912 249 HH11 ARG 34 2HH1 ARG 34 14.418 1.645 6.064 250 HH12 ARG 34 1HH1 ARG 34 14.816 1.138 7.672 251 HH21 ARG 34 2HH2 ARG 34 17.477 3.378 8.029 252 HH22 ARG 34 1HH2 ARG 34 16.556 2.125 8.790 253 HA PRO 35 HA PRO 35 15.926 3.147 -2.224 254 HB2 PRO 35 1HB PRO 35 13.288 3.749 -2.450 255 HB3 PRO 35 2HB PRO 35 13.902 2.092 -2.495 256 HG2 PRO 35 1HG PRO 35 12.668 3.593 -0.218 257 HG3 PRO 35 2HG PRO 35 12.396 1.918 -0.732 258 HD2 PRO 35 1HD PRO 35 14.005 2.561 1.349 259 HD3 PRO 35 2HD PRO 35 14.308 1.157 0.305 260 H ALA 36 H ALA 36 15.281 5.111 -3.445 261 HA ALA 36 HA ALA 36 16.094 7.456 -2.095 262 HB1 ALA 36 1HB ALA 36 14.668 8.054 -4.519 263 HB2 ALA 36 2HB ALA 36 16.391 8.194 -4.168 264 HB3 ALA 36 3HB ALA 36 15.732 6.667 -4.754 265 H GLY 37 H GLY 37 12.912 6.396 -3.291 266 HA2 GLY 37 1HA GLY 37 11.617 7.936 -1.201 267 HA3 GLY 37 2HA GLY 37 11.298 8.494 -2.836 268 H TYR 38 H TYR 38 9.120 7.836 -1.585 269 HA TYR 38 HA TYR 38 8.420 5.186 -2.653 270 HB2 TYR 38 1HB TYR 38 7.992 6.275 0.082 271 HB3 TYR 38 2HB TYR 38 6.691 5.316 -0.616 272 HD1 TYR 38 2HD TYR 38 8.073 3.239 -2.088 273 HD2 TYR 38 1HD TYR 38 9.047 4.969 1.675 274 HE1 TYR 38 2HE TYR 38 9.248 1.175 -1.450 275 HE2 TYR 38 1HE TYR 38 10.227 2.910 2.323 276 HH TYR 38 HH TYR 38 10.634 0.772 1.780 277 H LEU 39 H LEU 39 6.507 5.047 -3.725 278 HA LEU 39 HA LEU 39 4.860 7.487 -3.845 279 HB2 LEU 39 1HB LEU 39 6.332 6.901 -5.875 280 HB3 LEU 39 2HB LEU 39 5.178 5.599 -6.153 281 HG LEU 39 HG LEU 39 3.446 7.601 -6.033 282 HD11 LEU 39 1HD1 LEU 39 5.444 9.157 -5.552 283 HD12 LEU 39 2HD1 LEU 39 4.232 9.670 -6.725 284 HD13 LEU 39 3HD1 LEU 39 5.771 9.014 -7.279 285 HD21 LEU 39 1HD2 LEU 39 3.190 7.251 -8.243 286 HD22 LEU 39 2HD2 LEU 39 4.394 5.989 -7.978 287 HD23 LEU 39 3HD2 LEU 39 4.888 7.565 -8.600 288 H LEU 40 H LEU 40 3.311 6.765 -2.408 289 HA LEU 40 HA LEU 40 2.054 4.186 -2.777 290 HB2 LEU 40 1HB LEU 40 2.396 5.046 -0.532 291 HB3 LEU 40 2HB LEU 40 1.426 6.468 -0.909 292 HG LEU 40 HG LEU 40 -0.474 4.750 -1.332 293 HD11 LEU 40 1HD1 LEU 40 -0.093 2.842 0.413 294 HD12 LEU 40 2HD1 LEU 40 1.608 3.120 0.044 295 HD13 LEU 40 3HD1 LEU 40 0.490 2.668 -1.242 296 HD21 LEU 40 1HD2 LEU 40 -0.207 6.436 0.551 297 HD22 LEU 40 2HD2 LEU 40 0.418 5.100 1.517 298 HD23 LEU 40 3HD2 LEU 40 -1.226 5.034 0.878 299 H SER 41 H SER 41 0.896 4.104 -4.633 300 HA SER 41 HA SER 41 -1.092 6.222 -5.103 301 HB2 SER 41 1HB SER 41 -1.137 4.885 -7.423 302 HB3 SER 41 2HB SER 41 0.033 6.164 -7.098 303 HG SER 41 HG SER 41 0.565 3.455 -6.492 304 H PHE 42 H PHE 42 -3.055 5.728 -4.406 305 HA PHE 42 HA PHE 42 -4.031 2.978 -4.795 306 HB2 PHE 42 1HB PHE 42 -5.152 3.012 -2.683 307 HB3 PHE 42 2HB PHE 42 -3.488 3.507 -2.390 308 HD1 PHE 42 2HD PHE 42 -2.983 5.941 -2.073 309 HD2 PHE 42 1HD PHE 42 -6.955 4.414 -2.143 310 HE1 PHE 42 2HE PHE 42 -3.786 7.990 -0.973 311 HE2 PHE 42 1HE PHE 42 -7.765 6.460 -1.044 312 HZ PHE 42 HZ PHE 42 -6.180 8.251 -0.457 313 H HIS 43 H HIS 43 -6.029 2.767 -5.655 314 HA HIS 43 HA HIS 43 -7.661 5.194 -5.970 315 HB2 HIS 43 1HB HIS 43 -7.907 4.937 -8.243 316 HB3 HIS 43 2HB HIS 43 -6.263 4.337 -8.047 317 HD1 HIS 43 1HD HIS 43 -5.977 1.699 -8.091 318 HD2 HIS 43 2HD HIS 43 -9.716 3.114 -9.221 319 HE1 HIS 43 1HE HIS 43 -7.101 -0.226 -9.255 320 HE2 HIS 43 2HE HIS 43 -9.328 0.680 -10.005 321 H THR 44 H THR 44 -9.934 4.775 -6.388 322 HA THR 44 HA THR 44 -10.818 2.340 -5.016 323 HB THR 44 HB THR 44 -11.631 4.446 -4.073 324 HG1 THR 44 1HG THR 44 -14.003 3.913 -4.493 325 HG21 THR 44 1HG2 THR 44 -13.251 5.815 -5.363 326 HG22 THR 44 2HG2 THR 44 -12.873 4.856 -6.795 327 HG23 THR 44 3HG2 THR 44 -11.625 5.848 -6.042 328 HA PRO 45 HA PRO 45 -12.338 0.563 -8.752 329 HB2 PRO 45 1HB PRO 45 -14.159 -1.145 -7.685 330 HB3 PRO 45 2HB PRO 45 -12.415 -1.421 -7.595 331 HG2 PRO 45 1HG PRO 45 -14.265 -0.295 -5.528 332 HG3 PRO 45 2HG PRO 45 -12.951 -1.470 -5.333 333 HD2 PRO 45 1HD PRO 45 -12.667 1.149 -4.709 334 HD3 PRO 45 2HD PRO 45 -11.324 0.162 -5.319 335 H GLY 46 H GLY 46 -13.330 2.617 -9.424 336 HA2 GLY 46 1HA GLY 46 -15.513 2.909 -10.600 337 HA3 GLY 46 2HA GLY 46 -16.261 2.593 -9.041 338 H GLY 47 H GLY 47 -13.360 4.517 -9.346 339 HA2 GLY 47 1HA GLY 47 -14.881 7.005 -9.189 340 HA3 GLY 47 2HA GLY 47 -13.891 6.596 -7.796 341 H GLN 48 H GLN 48 -12.041 7.665 -7.780 342 HA GLN 48 HA GLN 48 -10.631 8.059 -10.334 343 HB2 GLN 48 1HB GLN 48 -9.898 10.247 -9.600 344 HB3 GLN 48 2HB GLN 48 -11.654 10.169 -9.547 345 HG2 GLN 48 1HG GLN 48 -11.683 10.031 -7.201 346 HG3 GLN 48 2HG GLN 48 -9.957 9.680 -7.123 347 HE21 GLN 48 1HE2 GLN 48 -12.373 12.133 -7.518 348 HE22 GLN 48 2HE2 GLN 48 -11.320 13.491 -7.343 349 H THR 49 H THR 49 -8.275 8.988 -9.628 350 HA THR 49 HA THR 49 -7.224 7.026 -7.694 351 HB THR 49 HB THR 49 -5.906 8.077 -10.204 352 HG1 THR 49 1HG THR 49 -6.155 5.366 -9.845 353 HG21 THR 49 1HG2 THR 49 -4.277 7.794 -8.392 354 HG22 THR 49 2HG2 THR 49 -4.053 6.579 -9.650 355 HG23 THR 49 3HG2 THR 49 -4.847 6.145 -8.137 356 H GLN 50 H GLN 50 -5.668 7.681 -6.243 357 HA GLN 50 HA GLN 50 -4.993 10.547 -6.244 358 HB2 GLN 50 1HB GLN 50 -6.669 10.219 -4.547 359 HB3 GLN 50 2HB GLN 50 -5.811 8.827 -3.900 360 HG2 GLN 50 1HG GLN 50 -4.141 10.142 -2.952 361 HG3 GLN 50 2HG GLN 50 -4.542 11.536 -3.953 362 HE21 GLN 50 1HE2 GLN 50 -6.750 12.447 -3.586 363 HE22 GLN 50 2HE2 GLN 50 -7.312 12.527 -1.955 364 H GLU 51 H GLU 51 -2.882 10.914 -6.273 365 HA GLU 51 HA GLU 51 -1.069 8.739 -5.492 366 HB2 GLU 51 1HB GLU 51 -0.775 11.081 -7.356 367 HB3 GLU 51 2HB GLU 51 0.631 10.219 -6.749 368 HG2 GLU 51 1HG GLU 51 -0.190 8.151 -7.725 369 HG3 GLU 51 2HG GLU 51 -1.633 8.984 -8.300 370 H ILE 52 H ILE 52 0.621 9.078 -4.069 371 HA ILE 52 HA ILE 52 0.805 11.695 -2.765 372 HB ILE 52 HB ILE 52 0.355 9.076 -1.342 373 HG12 ILE 52 1HG1 ILE 52 -1.083 11.734 -1.184 374 HG13 ILE 52 2HG1 ILE 52 -1.651 10.328 -2.079 375 HG21 ILE 52 1HG2 ILE 52 0.546 10.909 0.646 376 HG22 ILE 52 2HG2 ILE 52 1.854 9.840 0.145 377 HG23 ILE 52 3HG2 ILE 52 1.779 11.490 -0.473 378 HD11 ILE 52 1HD1 ILE 52 -1.241 9.323 0.438 379 HD12 ILE 52 2HD1 ILE 52 -1.851 10.948 0.750 380 HD13 ILE 52 3HD1 ILE 52 -2.789 9.828 -0.239 381 H LEU 53 H LEU 53 2.846 12.323 -2.497 382 HA LEU 53 HA LEU 53 4.983 10.432 -3.068 383 HB2 LEU 53 1HB LEU 53 4.746 12.817 -4.019 384 HB3 LEU 53 2HB LEU 53 5.352 13.341 -2.449 385 HG LEU 53 HG LEU 53 6.910 11.343 -4.033 386 HD11 LEU 53 1HD1 LEU 53 6.201 13.426 -5.420 387 HD12 LEU 53 2HD1 LEU 53 7.886 12.905 -5.417 388 HD13 LEU 53 3HD1 LEU 53 7.382 14.266 -4.415 389 HD21 LEU 53 1HD2 LEU 53 7.298 13.119 -1.735 390 HD22 LEU 53 2HD2 LEU 53 8.632 13.113 -2.889 391 HD23 LEU 53 3HD2 LEU 53 8.099 11.603 -2.149 392 H LEU 54 H LEU 54 5.129 9.182 -1.218 393 HA LEU 54 HA LEU 54 5.160 10.165 1.414 394 HB2 LEU 54 1HB LEU 54 5.979 7.640 0.080 395 HB3 LEU 54 2HB LEU 54 6.560 7.932 1.718 396 HG LEU 54 HG LEU 54 3.982 8.388 2.150 397 HD11 LEU 54 1HD1 LEU 54 2.998 8.101 0.088 398 HD12 LEU 54 2HD1 LEU 54 2.806 6.500 0.800 399 HD13 LEU 54 3HD1 LEU 54 4.090 6.795 -0.373 400 HD21 LEU 54 1HD2 LEU 54 5.627 6.598 3.046 401 HD22 LEU 54 2HD2 LEU 54 4.833 5.532 1.887 402 HD23 LEU 54 3HD2 LEU 54 3.891 6.308 3.162 403 HA PRO 55 HA PRO 55 9.184 11.800 2.032 404 HB2 PRO 55 1HB PRO 55 9.788 10.922 4.529 405 HB3 PRO 55 2HB PRO 55 8.588 12.182 4.218 406 HG2 PRO 55 1HG PRO 55 8.179 9.265 4.753 407 HG3 PRO 55 2HG PRO 55 7.281 10.655 5.389 408 HD2 PRO 55 1HD PRO 55 6.359 9.137 3.345 409 HD3 PRO 55 2HD PRO 55 6.016 10.874 3.474 410 H GLY 56 H GLY 56 8.770 8.349 2.576 411 HA2 GLY 56 1HA GLY 56 10.137 6.645 1.750 412 HA3 GLY 56 2HA GLY 56 11.345 7.850 1.331 413 H GLY 57 H GLY 57 10.449 5.439 3.527 414 HA2 GLY 57 1HA GLY 57 12.441 4.688 4.865 415 HA3 GLY 57 2HA GLY 57 12.514 6.349 5.434 416 H ILE 58 H ILE 58 9.352 5.194 4.984 417 HA ILE 58 HA ILE 58 9.088 4.785 7.890 418 HB ILE 58 HB ILE 58 6.878 5.620 7.801 419 HG12 ILE 58 1HG1 ILE 58 7.140 5.554 4.788 420 HG13 ILE 58 2HG1 ILE 58 6.123 4.506 5.770 421 HG21 ILE 58 1HG2 ILE 58 9.057 7.157 6.745 422 HG22 ILE 58 2HG2 ILE 58 7.533 7.716 6.059 423 HG23 ILE 58 3HG2 ILE 58 7.745 7.664 7.809 424 HD11 ILE 58 1HD1 ILE 58 4.564 6.002 5.103 425 HD12 ILE 58 2HD1 ILE 58 5.137 6.842 6.545 426 HD13 ILE 58 3HD1 ILE 58 5.727 7.319 4.953 427 H THR 59 H THR 59 7.250 3.343 8.523 428 HA THR 59 HA THR 59 6.967 1.104 6.626 429 HB THR 59 HB THR 59 6.939 -0.433 8.574 430 HG1 THR 59 1HG THR 59 7.961 1.735 10.098 431 HG21 THR 59 1HG2 THR 59 9.239 1.070 7.606 432 HG22 THR 59 2HG2 THR 59 9.053 -0.664 7.870 433 HG23 THR 59 3HG2 THR 59 9.497 0.391 9.212 434 H SER 60 H SER 60 5.274 3.513 7.671 435 HA SER 60 HA SER 60 2.767 2.140 7.514 436 HB2 SER 60 1HB SER 60 2.015 3.195 9.777 437 HB3 SER 60 2HB SER 60 2.909 1.675 9.797 438 HG SER 60 HG SER 60 4.822 3.200 9.969 439 H HIS 61 H HIS 61 1.349 3.436 6.540 440 HA HIS 61 HA HIS 61 1.721 6.348 6.765 441 HB2 HIS 61 1HB HIS 61 2.415 5.109 4.529 442 HB3 HIS 61 2HB HIS 61 0.683 5.181 4.219 443 HD1 HIS 61 1HD HIS 61 0.581 6.954 2.459 444 HD2 HIS 61 2HD HIS 61 2.819 8.122 5.759 445 HE1 HIS 61 1HE HIS 61 1.102 9.387 2.091 446 HE2 HIS 61 2HE HIS 61 2.529 10.049 4.058 447 H GLN 62 H GLN 62 -0.059 7.471 7.261 448 HA GLN 62 HA GLN 62 -2.547 6.019 7.618 449 HB2 GLN 62 1HB GLN 62 -1.703 7.519 9.392 450 HB3 GLN 62 2HB GLN 62 -1.856 8.884 8.293 451 HG2 GLN 62 1HG GLN 62 -3.707 8.494 10.015 452 HG3 GLN 62 2HG GLN 62 -4.172 8.836 8.349 453 HE21 GLN 62 1HE2 GLN 62 -4.990 7.161 7.065 454 HE22 GLN 62 2HE2 GLN 62 -5.627 5.714 7.761 455 H LEU 63 H LEU 63 -3.999 5.912 6.050 456 HA LEU 63 HA LEU 63 -4.008 7.948 3.950 457 HB2 LEU 63 1HB LEU 63 -5.110 5.174 4.179 458 HB3 LEU 63 2HB LEU 63 -5.708 6.276 2.941 459 HG LEU 63 HG LEU 63 -2.847 5.362 3.244 460 HD11 LEU 63 1HD1 LEU 63 -3.479 3.543 2.145 461 HD12 LEU 63 2HD1 LEU 63 -3.926 4.573 0.784 462 HD13 LEU 63 3HD1 LEU 63 -5.131 4.146 1.999 463 HD21 LEU 63 1HD2 LEU 63 -2.652 7.425 2.236 464 HD22 LEU 63 2HD2 LEU 63 -4.217 7.300 1.430 465 HD23 LEU 63 3HD2 LEU 63 -2.842 6.365 0.838 466 H LEU 64 H LEU 64 -5.465 9.519 3.923 467 HA LEU 64 HA LEU 64 -7.897 9.203 5.552 468 HB2 LEU 64 1HB LEU 64 -6.547 11.755 4.689 469 HB3 LEU 64 2HB LEU 64 -7.948 11.618 5.750 470 HG LEU 64 HG LEU 64 -5.371 10.329 6.541 471 HD11 LEU 64 1HD1 LEU 64 -4.879 12.496 7.767 472 HD12 LEU 64 2HD1 LEU 64 -6.016 13.261 6.658 473 HD13 LEU 64 3HD1 LEU 64 -4.565 12.478 6.032 474 HD21 LEU 64 1HD2 LEU 64 -6.264 10.314 8.639 475 HD22 LEU 64 2HD2 LEU 64 -7.750 10.239 7.692 476 HD23 LEU 64 3HD2 LEU 64 -7.212 11.777 8.369 477 H GLY 65 H GLY 65 -9.874 10.103 4.745 478 HA2 GLY 65 1HA GLY 65 -11.360 10.801 3.100 479 HA3 GLY 65 2HA GLY 65 -10.007 10.972 1.991 480 H LEU 66 H LEU 66 -11.946 8.485 3.636 481 HA LEU 66 HA LEU 66 -11.776 6.879 1.175 482 HB2 LEU 66 1HB LEU 66 -11.848 5.772 3.976 483 HB3 LEU 66 2HB LEU 66 -11.683 4.859 2.478 484 HG LEU 66 HG LEU 66 -9.634 6.759 3.619 485 HD11 LEU 66 1HD1 LEU 66 -8.476 4.959 4.432 486 HD12 LEU 66 2HD1 LEU 66 -9.219 3.828 3.302 487 HD13 LEU 66 3HD1 LEU 66 -10.134 4.416 4.690 488 HD21 LEU 66 1HD2 LEU 66 -9.611 6.697 1.174 489 HD22 LEU 66 2HD2 LEU 66 -9.504 4.937 1.218 490 HD23 LEU 66 3HD2 LEU 66 -8.182 5.918 1.852 491 H PHE 67 H PHE 67 -13.512 4.958 1.508 492 HA PHE 67 HA PHE 67 -16.036 6.284 2.253 493 HB2 PHE 67 1HB PHE 67 -15.487 4.355 -0.010 494 HB3 PHE 67 2HB PHE 67 -17.099 4.869 0.476 495 HD1 PHE 67 2HD PHE 67 -16.679 7.726 0.999 496 HD2 PHE 67 1HD PHE 67 -15.184 5.249 -2.123 497 HE1 PHE 67 2HE PHE 67 -16.492 9.693 -0.468 498 HE2 PHE 67 1HE PHE 67 -14.994 7.212 -3.594 499 HZ PHE 67 HZ PHE 67 -15.650 9.437 -2.768 500 HA PRO 68 HA PRO 68 -16.882 2.965 5.000 501 HB2 PRO 68 1HB PRO 68 -19.594 2.907 4.896 502 HB3 PRO 68 2HB PRO 68 -18.691 4.188 5.713 503 HG2 PRO 68 1HG PRO 68 -19.932 4.187 2.989 504 HG3 PRO 68 2HG PRO 68 -19.942 5.461 4.222 505 HD2 PRO 68 1HD PRO 68 -18.265 5.505 2.096 506 HD3 PRO 68 2HD PRO 68 -17.821 6.180 3.677 507 H SER 69 H SER 69 -16.593 0.863 4.649 508 HA SER 69 HA SER 69 -16.709 -1.224 3.751 509 HB2 SER 69 1HB SER 69 -19.087 -1.016 4.400 510 HB3 SER 69 2HB SER 69 -19.445 -0.319 2.820 511 HG SER 69 HG SER 69 -19.891 -2.518 2.775 512 H THR 70 H THR 70 -15.476 0.824 2.205 513 HA THR 70 HA THR 70 -16.100 -0.053 -0.539 514 HB THR 70 HB THR 70 -14.797 2.511 0.395 515 HG1 THR 70 1HG THR 70 -17.251 2.049 0.361 516 HG21 THR 70 1HG2 THR 70 -15.428 2.724 -2.309 517 HG22 THR 70 2HG2 THR 70 -14.679 1.135 -2.150 518 HG23 THR 70 3HG2 THR 70 -13.816 2.576 -1.610 519 H SER 71 H SER 71 -14.645 -1.280 -1.529 520 HA SER 71 HA SER 71 -12.153 -1.915 -0.267 521 HB2 SER 71 1HB SER 71 -13.428 -3.618 -1.498 522 HB3 SER 71 2HB SER 71 -13.216 -2.705 -2.991 523 HG SER 71 HG SER 71 -11.692 -4.521 -2.474 524 H TYR 72 H TYR 72 -10.182 -1.115 -0.649 525 HA TYR 72 HA TYR 72 -9.849 0.698 -2.948 526 HB2 TYR 72 1HB TYR 72 -8.953 0.993 -0.096 527 HB3 TYR 72 2HB TYR 72 -8.095 1.817 -1.393 528 HD1 TYR 72 1HD TYR 72 -11.297 1.575 0.409 529 HD2 TYR 72 2HD TYR 72 -9.051 3.716 -2.501 530 HE1 TYR 72 1HE TYR 72 -12.949 3.395 0.483 531 HE2 TYR 72 2HE TYR 72 -10.696 5.543 -2.435 532 HH TYR 72 HH TYR 72 -13.606 5.323 -0.417 533 H ASN 73 H ASN 73 -7.976 0.556 -4.118 534 HA ASN 73 HA ASN 73 -6.246 -1.734 -3.477 535 HB2 ASN 73 1HB ASN 73 -7.389 -1.941 -5.618 536 HB3 ASN 73 2HB ASN 73 -6.778 -0.369 -6.124 537 HD21 ASN 73 1HD2 ASN 73 -4.904 -0.286 -7.164 538 HD22 ASN 73 2HD2 ASN 73 -3.796 -1.601 -7.336 539 H ALA 74 H ALA 74 -4.561 -0.992 -2.326 540 HA ALA 74 HA ALA 74 -3.296 1.535 -3.055 541 HB1 ALA 74 1HB ALA 74 -3.244 1.614 -0.816 542 HB2 ALA 74 2HB ALA 74 -3.414 -0.134 -0.651 543 HB3 ALA 74 3HB ALA 74 -1.830 0.572 -0.972 544 H ARG 75 H ARG 75 -1.071 1.715 -3.533 545 HA ARG 75 HA ARG 75 0.346 -0.762 -4.187 546 HB2 ARG 75 1HB ARG 75 -0.932 0.419 -6.182 547 HB3 ARG 75 2HB ARG 75 0.475 1.473 -6.161 548 HG2 ARG 75 1HG ARG 75 1.913 -0.541 -6.387 549 HG3 ARG 75 2HG ARG 75 0.448 -1.507 -6.571 550 HD2 ARG 75 1HD ARG 75 1.028 0.860 -8.327 551 HD3 ARG 75 2HD ARG 75 1.645 -0.749 -8.699 552 HE ARG 75 HE ARG 75 -1.124 -0.899 -8.235 553 HH11 ARG 75 2HH1 ARG 75 1.154 0.316 -10.570 554 HH12 ARG 75 1HH1 ARG 75 0.065 0.161 -11.908 555 HH21 ARG 75 2HH2 ARG 75 -2.568 -1.108 -9.989 556 HH22 ARG 75 1HH2 ARG 75 -2.053 -0.649 -11.576 557 H LEU 76 H LEU 76 2.327 -0.705 -3.370 558 HA LEU 76 HA LEU 76 3.503 1.904 -2.709 559 HB2 LEU 76 1HB LEU 76 3.154 0.289 -0.868 560 HB3 LEU 76 2HB LEU 76 4.240 -0.834 -1.684 561 HG LEU 76 HG LEU 76 6.026 0.960 -1.458 562 HD11 LEU 76 1HD1 LEU 76 4.140 2.670 -0.855 563 HD12 LEU 76 2HD1 LEU 76 5.729 2.786 -0.101 564 HD13 LEU 76 3HD1 LEU 76 4.387 2.054 0.779 565 HD21 LEU 76 1HD2 LEU 76 6.732 -0.325 0.206 566 HD22 LEU 76 2HD2 LEU 76 5.120 -1.033 0.301 567 HD23 LEU 76 3HD2 LEU 76 5.531 0.361 1.301 568 H GLN 77 H GLN 77 4.748 2.593 -4.338 569 HA GLN 77 HA GLN 77 6.704 0.698 -5.462 570 HB2 GLN 77 1HB GLN 77 4.792 1.619 -6.974 571 HB3 GLN 77 2HB GLN 77 5.741 3.100 -6.978 572 HG2 GLN 77 1HG GLN 77 7.678 1.423 -7.633 573 HG3 GLN 77 2HG GLN 77 6.315 0.471 -8.219 574 HE21 GLN 77 1HE2 GLN 77 7.046 0.724 -10.350 575 HE22 GLN 77 2HE2 GLN 77 6.828 2.207 -11.210 576 H ALA 78 H ALA 78 8.721 1.171 -4.930 577 HA ALA 78 HA ALA 78 9.373 3.869 -4.014 578 HB1 ALA 78 1HB ALA 78 11.620 2.173 -3.800 579 HB2 ALA 78 2HB ALA 78 10.586 2.784 -2.508 580 HB3 ALA 78 3HB ALA 78 10.213 1.244 -3.282 581 H MET 79 H MET 79 11.096 5.075 -4.851 582 HA MET 79 HA MET 79 11.671 4.514 -7.653 583 HB2 MET 79 1HB MET 79 12.487 6.964 -6.098 584 HB3 MET 79 2HB MET 79 12.332 6.791 -7.841 585 HG2 MET 79 1HG MET 79 9.895 6.494 -7.553 586 HG3 MET 79 2HG MET 79 10.097 6.798 -5.829 587 HE1 MET 79 1HE MET 79 10.498 9.833 -4.980 588 HE2 MET 79 2HE MET 79 8.912 10.050 -5.721 589 HE3 MET 79 3HE MET 79 9.338 8.504 -4.986 590 H TRP 80 H TRP 80 13.420 3.365 -8.121 591 HA TRP 80 HA TRP 80 15.791 3.643 -6.395 592 HB2 TRP 80 1HB TRP 80 14.617 1.324 -7.863 593 HB3 TRP 80 2HB TRP 80 16.366 1.387 -7.666 594 HD1 TRP 80 HD TRP 80 17.310 1.282 -5.121 595 HE1 TRP 80 1HE TRP 80 16.284 0.263 -2.992 596 HE3 TRP 80 3HE TRP 80 12.452 0.899 -6.665 597 HZ2 TRP 80 2HZ TRP 80 13.750 -0.591 -2.087 598 HZ3 TRP 80 3HZ TRP 80 10.789 -0.030 -5.108 599 HH2 TRP 80 HH TRP 80 11.427 -0.759 -2.867 600 H GLY 81 H GLY 81 17.891 3.520 -7.451 601 HA2 GLY 81 1HA GLY 81 18.446 5.355 -9.317 602 HA3 GLY 81 2HA GLY 81 19.376 3.868 -9.206 603 H GLN 82 H GLN 82 17.470 5.770 -11.190 604 HA GLN 82 HA GLN 82 16.269 5.366 -13.126 605 HB2 GLN 82 1HB GLN 82 18.985 4.132 -13.430 606 HB3 GLN 82 2HB GLN 82 17.833 4.063 -14.757 607 HG2 GLN 82 1HG GLN 82 18.556 6.649 -13.427 608 HG3 GLN 82 2HG GLN 82 19.517 5.972 -14.741 609 HE21 GLN 82 1HE2 GLN 82 16.950 7.940 -13.964 610 HE22 GLN 82 2HE2 GLN 82 16.209 8.047 -15.521 611 H SER 83 H SER 83 15.289 3.640 -11.233 612 HA SER 83 HA SER 83 14.368 1.470 -12.892 613 HB2 SER 83 1HB SER 83 15.929 0.892 -10.363 614 HB3 SER 83 2HB SER 83 14.973 -0.300 -11.244 615 HG SER 83 HG SER 83 16.730 -0.586 -12.353 616 H LEU 84 H LEU 84 12.508 0.414 -12.039 617 HA LEU 84 HA LEU 84 11.319 1.709 -9.681 618 HB2 LEU 84 1HB LEU 84 9.944 1.119 -12.298 619 HB3 LEU 84 2HB LEU 84 9.135 1.677 -10.835 620 HG LEU 84 HG LEU 84 11.216 3.243 -12.360 621 HD11 LEU 84 1HD1 LEU 84 8.675 2.742 -13.199 622 HD12 LEU 84 2HD1 LEU 84 9.609 4.182 -13.603 623 HD13 LEU 84 3HD1 LEU 84 8.460 4.223 -12.266 624 HD21 LEU 84 1HD2 LEU 84 10.131 5.101 -10.936 625 HD22 LEU 84 2HD2 LEU 84 11.305 4.027 -10.176 626 HD23 LEU 84 3HD2 LEU 84 9.579 3.777 -9.910 627 H LEU 85 H LEU 85 12.186 -0.312 -8.718 628 HA LEU 85 HA LEU 85 11.638 -2.881 -9.234 629 HB2 LEU 85 1HB LEU 85 11.261 -1.555 -6.553 630 HB3 LEU 85 2HB LEU 85 11.453 -3.288 -6.811 631 HG LEU 85 HG LEU 85 13.527 -1.160 -7.336 632 HD11 LEU 85 1HD1 LEU 85 12.840 -2.119 -4.936 633 HD12 LEU 85 2HD1 LEU 85 14.496 -1.698 -5.368 634 HD13 LEU 85 3HD1 LEU 85 13.968 -3.379 -5.438 635 HD21 LEU 85 1HD2 LEU 85 13.702 -2.943 -8.972 636 HD22 LEU 85 2HD2 LEU 85 13.654 -4.153 -7.690 637 HD23 LEU 85 3HD2 LEU 85 15.025 -3.049 -7.810 638 HA PRO 86 HA PRO 86 7.311 -3.606 -9.425 639 HB2 PRO 86 1HB PRO 86 7.169 -6.143 -8.469 640 HB3 PRO 86 2HB PRO 86 7.823 -5.753 -10.064 641 HG2 PRO 86 1HG PRO 86 9.274 -6.308 -7.504 642 HG3 PRO 86 2HG PRO 86 9.639 -6.877 -9.144 643 HD2 PRO 86 1HD PRO 86 10.957 -4.811 -7.992 644 HD3 PRO 86 2HD PRO 86 10.659 -4.897 -9.739 645 HA PRO 87 HA PRO 87 6.144 -2.432 -5.236 646 HB2 PRO 87 1HB PRO 87 3.677 -1.533 -5.927 647 HB3 PRO 87 2HB PRO 87 5.148 -0.581 -6.165 648 HG2 PRO 87 1HG PRO 87 3.621 -2.233 -8.140 649 HG3 PRO 87 2HG PRO 87 4.336 -0.623 -8.343 650 HD2 PRO 87 1HD PRO 87 5.528 -2.873 -9.264 651 HD3 PRO 87 2HD PRO 87 6.452 -1.468 -8.692 652 H VAL 88 H VAL 88 3.916 -2.777 -4.048 653 HA VAL 88 HA VAL 88 2.983 -5.510 -4.644 654 HB VAL 88 HB VAL 88 2.538 -5.512 -2.055 655 HG11 VAL 88 1HG1 VAL 88 4.037 -7.023 -3.348 656 HG12 VAL 88 2HG1 VAL 88 5.344 -5.864 -3.098 657 HG13 VAL 88 3HG1 VAL 88 4.606 -6.674 -1.716 658 HG21 VAL 88 1HG2 VAL 88 4.962 -3.736 -2.138 659 HG22 VAL 88 2HG2 VAL 88 3.333 -3.101 -1.906 660 HG23 VAL 88 3HG2 VAL 88 4.013 -4.232 -0.736 661 H SER 89 H SER 89 0.897 -5.599 -5.113 662 HA SER 89 HA SER 89 -0.847 -3.394 -4.286 663 HB2 SER 89 1HB SER 89 -2.393 -4.213 -6.004 664 HB3 SER 89 2HB SER 89 -0.789 -3.951 -6.688 665 HG SER 89 HG SER 89 -0.513 -6.309 -6.179 666 H THR 90 H THR 90 -2.300 -3.637 -2.725 667 HA THR 90 HA THR 90 -3.272 -6.328 -2.072 668 HB THR 90 HB THR 90 -1.375 -5.459 -0.514 669 HG1 THR 90 1HG THR 90 -2.786 -7.272 -0.098 670 HG21 THR 90 1HG2 THR 90 -2.292 -3.224 -0.154 671 HG22 THR 90 2HG2 THR 90 -2.197 -4.111 1.368 672 HG23 THR 90 3HG2 THR 90 -3.748 -3.924 0.551 673 H SER 91 H SER 91 -5.410 -6.420 -1.752 674 HA SER 91 HA SER 91 -6.916 -3.925 -1.839 675 HB2 SER 91 1HB SER 91 -8.884 -5.458 -2.169 676 HB3 SER 91 2HB SER 91 -7.638 -5.599 -3.409 677 HG SER 91 HG SER 91 -7.193 -7.565 -2.755 678 H PHE 92 H PHE 92 -7.947 -3.075 -0.148 679 HA PHE 92 HA PHE 92 -8.405 -4.760 2.219 680 HB2 PHE 92 1HB PHE 92 -7.736 -2.903 3.672 681 HB3 PHE 92 2HB PHE 92 -6.412 -3.379 2.615 682 HD1 PHE 92 1HD PHE 92 -5.960 -1.990 0.554 683 HD2 PHE 92 2HD PHE 92 -8.530 -0.707 3.696 684 HE1 PHE 92 1HE PHE 92 -5.744 0.334 -0.223 685 HE2 PHE 92 2HE PHE 92 -8.318 1.619 2.923 686 HZ PHE 92 HZ PHE 92 -6.924 2.142 0.961 687 H THR 93 H THR 93 -10.338 -4.509 3.204 688 HA THR 93 HA THR 93 -12.207 -2.611 1.973 689 HB THR 93 HB THR 93 -12.879 -4.957 3.756 690 HG1 THR 93 1HG THR 93 -12.457 -4.761 0.976 691 HG21 THR 93 1HG2 THR 93 -14.774 -3.652 3.773 692 HG22 THR 93 2HG2 THR 93 -15.069 -4.624 2.331 693 HG23 THR 93 3HG2 THR 93 -14.455 -2.979 2.175 694 H THR 94 H THR 94 -13.174 -1.022 3.107 695 HA THR 94 HA THR 94 -12.173 -0.455 5.761 696 HB THR 94 HB THR 94 -13.613 1.620 5.536 697 HG1 THR 94 1HG THR 94 -14.964 1.654 3.918 698 HG21 THR 94 1HG2 THR 94 -12.117 2.260 3.336 699 HG22 THR 94 2HG2 THR 94 -11.239 0.876 3.988 700 HG23 THR 94 3HG2 THR 94 -11.535 2.289 5.000 701 H GLY 95 H GLY 95 -13.592 0.111 7.552 702 HA2 GLY 95 1HA GLY 95 -15.606 -1.880 7.953 703 HA3 GLY 95 2HA GLY 95 -15.166 -0.603 9.078 704 H GLY 96 H GLY 96 -17.578 -0.705 9.389 705 HA2 GLY 96 1HA GLY 96 -18.927 0.975 7.366 706 HA3 GLY 96 2HA GLY 96 -19.755 -0.227 8.345 707 H LEU 97 H LEU 97 -20.519 2.489 8.138 708 HA LEU 97 HA LEU 97 -19.658 3.753 10.615 709 HB2 LEU 97 1HB LEU 97 -21.622 4.685 8.526 710 HB3 LEU 97 2HB LEU 97 -21.033 5.638 9.887 711 HG LEU 97 HG LEU 97 -19.223 4.582 7.725 712 HD11 LEU 97 1HD1 LEU 97 -19.460 7.290 7.326 713 HD12 LEU 97 2HD1 LEU 97 -21.119 6.788 7.648 714 HD13 LEU 97 3HD1 LEU 97 -20.206 6.029 6.343 715 HD21 LEU 97 1HD2 LEU 97 -18.922 6.736 9.814 716 HD22 LEU 97 2HD2 LEU 97 -17.747 6.379 8.547 717 HD23 LEU 97 3HD2 LEU 97 -18.104 5.173 9.785 718 H ARG 98 H ARG 98 -20.577 2.067 11.976 719 HA ARG 98 HA ARG 98 -23.389 2.631 12.570 720 HB2 ARG 98 1HB ARG 98 -23.946 0.301 12.809 721 HB3 ARG 98 2HB ARG 98 -23.278 0.553 11.202 722 HG2 ARG 98 1HG ARG 98 -21.356 -0.610 11.667 723 HG3 ARG 98 2HG ARG 98 -21.469 -0.313 13.403 724 HD2 ARG 98 1HD ARG 98 -23.178 -1.927 13.662 725 HD3 ARG 98 2HD ARG 98 -23.437 -2.037 11.921 726 HE ARG 98 HE ARG 98 -21.533 -3.487 13.452 727 HH11 ARG 98 2HH1 ARG 98 -22.038 -1.991 10.350 728 HH12 ARG 98 1HH1 ARG 98 -20.934 -3.037 9.519 729 HH21 ARG 98 2HH2 ARG 98 -20.077 -4.870 12.371 730 HH22 ARG 98 1HH2 ARG 98 -19.820 -4.675 10.670 731 H ILE 99 H ILE 99 -23.879 1.143 14.693 732 HA ILE 99 HA ILE 99 -21.959 2.134 16.654 733 HB ILE 99 HB ILE 99 -24.726 0.975 16.978 734 HG12 ILE 99 1HG1 ILE 99 -24.989 3.397 17.959 735 HG13 ILE 99 2HG1 ILE 99 -23.559 3.734 16.990 736 HG21 ILE 99 1HG2 ILE 99 -22.649 1.717 18.993 737 HG22 ILE 99 2HG2 ILE 99 -24.359 1.911 19.374 738 HG23 ILE 99 3HG2 ILE 99 -23.725 0.321 18.954 739 HD11 ILE 99 1HD1 ILE 99 -24.829 3.987 15.205 740 HD12 ILE 99 2HD1 ILE 99 -25.416 2.331 15.370 741 HD13 ILE 99 3HD1 ILE 99 -26.261 3.652 16.178 742 H SER 100 H SER 100 -20.616 0.876 17.786 743 HA SER 100 HA SER 100 -20.572 -1.971 17.202 744 HB2 SER 100 1HB SER 100 -18.542 -0.275 17.337 745 HB3 SER 100 2HB SER 100 -18.604 -0.687 19.050 746 HG SER 100 HG SER 100 -18.040 -2.714 18.605 747 H GLY 101 H GLY 101 -21.195 -3.538 18.557 748 HA2 GLY 101 1HA GLY 101 -21.896 -2.745 21.317 749 HA3 GLY 101 2HA GLY 101 -22.823 -3.906 20.380 750 HA PRO 102 HA PRO 102 -19.118 -5.803 22.814 751 HB2 PRO 102 1HB PRO 102 -20.247 -6.275 25.237 752 HB3 PRO 102 2HB PRO 102 -19.349 -4.798 24.867 753 HG2 PRO 102 1HG PRO 102 -22.307 -5.256 24.905 754 HG3 PRO 102 2HG PRO 102 -21.380 -3.881 25.532 755 HD2 PRO 102 1HD PRO 102 -22.678 -3.801 23.157 756 HD3 PRO 102 2HD PRO 102 -21.170 -2.912 23.451 757 H SER 103 H SER 103 -22.332 -6.421 22.020 758 HA SER 103 HA SER 103 -23.520 -8.311 21.583 759 HB2 SER 103 1HB SER 103 -21.309 -8.817 20.382 760 HB3 SER 103 2HB SER 103 -20.934 -9.853 21.759 761 HG SER 103 HG SER 103 -23.019 -10.885 21.292 762 H SER 104 H SER 104 -23.471 -7.527 24.233 763 HA SER 104 HA SER 104 -22.771 -9.543 26.063 764 HB2 SER 104 1HB SER 104 -24.898 -7.398 26.262 765 HB3 SER 104 2HB SER 104 -24.334 -8.381 27.613 766 HG SER 104 HG SER 104 -22.435 -7.005 26.091 767 H GLY 105 H GLY 105 -23.594 -11.502 26.340 768 HA2 GLY 105 1HA GLY 105 -26.349 -12.061 26.508 769 HA3 GLY 105 2HA GLY 105 -25.779 -12.508 24.906 Start of MODEL 5 1 H1 GLY 1 H GLY 1 12.042 -10.581 -21.640 2 HA2 GLY 1 1HA GLY 1 14.846 -9.668 -21.846 3 HA3 GLY 1 2HA GLY 1 13.513 -8.615 -21.397 4 H SER 2 H SER 2 13.699 -8.072 -19.333 5 HA SER 2 HA SER 2 14.392 -8.184 -17.134 6 HB2 SER 2 1HB SER 2 13.067 -9.909 -15.884 7 HB3 SER 2 2HB SER 2 12.102 -8.928 -16.987 8 HG SER 2 HG SER 2 11.473 -10.921 -17.495 9 H SER 3 H SER 3 16.417 -9.206 -18.702 10 HA SER 3 HA SER 3 17.241 -11.751 -17.562 11 HB2 SER 3 1HB SER 3 19.151 -11.583 -19.095 12 HB3 SER 3 2HB SER 3 17.635 -11.316 -19.956 13 HG SER 3 HG SER 3 18.713 -9.612 -20.624 14 H GLY 4 H GLY 4 18.289 -8.363 -17.559 15 HA2 GLY 4 1HA GLY 4 20.526 -8.833 -15.834 16 HA3 GLY 4 2HA GLY 4 19.858 -7.267 -16.271 17 H SER 5 H SER 5 20.338 -9.402 -13.775 18 HA SER 5 HA SER 5 18.054 -8.396 -12.227 19 HB2 SER 5 1HB SER 5 18.238 -10.269 -10.839 20 HB3 SER 5 2HB SER 5 18.653 -10.920 -12.425 21 HG SER 5 HG SER 5 20.920 -10.238 -11.628 22 H SER 6 H SER 6 18.529 -7.962 -9.878 23 HA SER 6 HA SER 6 21.217 -6.967 -9.353 24 HB2 SER 6 1HB SER 6 18.789 -5.172 -9.124 25 HB3 SER 6 2HB SER 6 20.451 -4.739 -8.724 26 HG SER 6 HG SER 6 19.629 -5.575 -11.305 27 H GLY 7 H GLY 7 21.562 -6.411 -7.093 28 HA2 GLY 7 1HA GLY 7 20.436 -8.309 -5.340 29 HA3 GLY 7 2HA GLY 7 21.437 -6.945 -4.864 30 H LEU 8 H LEU 8 19.588 -4.983 -6.030 31 HA LEU 8 HA LEU 8 18.174 -4.158 -3.879 32 HB2 LEU 8 1HB LEU 8 17.461 -3.938 -6.792 33 HB3 LEU 8 2HB LEU 8 16.555 -3.111 -5.526 34 HG LEU 8 HG LEU 8 19.503 -2.696 -5.990 35 HD11 LEU 8 1HD1 LEU 8 18.828 -0.584 -7.093 36 HD12 LEU 8 2HD1 LEU 8 17.156 -1.146 -7.073 37 HD13 LEU 8 3HD1 LEU 8 18.370 -2.026 -8.002 38 HD21 LEU 8 1HD2 LEU 8 18.413 -2.147 -3.756 39 HD22 LEU 8 2HD2 LEU 8 17.534 -0.886 -4.620 40 HD23 LEU 8 3HD2 LEU 8 19.296 -0.847 -4.556 41 H GLU 9 H GLU 9 15.981 -4.281 -3.189 42 HA GLU 9 HA GLU 9 14.419 -6.538 -4.204 43 HB2 GLU 9 1HB GLU 9 15.408 -6.195 -1.388 44 HB3 GLU 9 2HB GLU 9 13.921 -7.073 -1.716 45 HG2 GLU 9 1HG GLU 9 16.629 -7.742 -2.847 46 HG3 GLU 9 2HG GLU 9 15.848 -8.560 -1.496 47 H ALA 10 H ALA 10 12.173 -6.475 -3.588 48 HA ALA 10 HA ALA 10 11.244 -3.726 -3.204 49 HB1 ALA 10 1HB ALA 10 10.266 -6.059 -4.657 50 HB2 ALA 10 2HB ALA 10 9.010 -5.220 -3.746 51 HB3 ALA 10 3HB ALA 10 9.971 -4.342 -4.935 52 HA PRO 11 HA PRO 11 9.537 -4.326 0.793 53 HB2 PRO 11 1HB PRO 11 7.091 -3.160 0.617 54 HB3 PRO 11 2HB PRO 11 8.598 -2.236 0.627 55 HG2 PRO 11 1HG PRO 11 6.887 -3.045 -1.693 56 HG3 PRO 11 2HG PRO 11 7.678 -1.490 -1.374 57 HD2 PRO 11 1HD PRO 11 8.699 -3.318 -3.090 58 HD3 PRO 11 2HD PRO 11 9.724 -2.232 -2.131 59 H ARG 12 H ARG 12 8.275 -5.693 2.018 60 HA ARG 12 HA ARG 12 6.238 -7.286 0.628 61 HB2 ARG 12 1HB ARG 12 7.097 -9.347 1.445 62 HB3 ARG 12 2HB ARG 12 8.455 -8.493 0.722 63 HG2 ARG 12 1HG ARG 12 9.386 -7.975 2.809 64 HG3 ARG 12 2HG ARG 12 7.892 -8.364 3.664 65 HD2 ARG 12 1HD ARG 12 9.474 -10.406 2.122 66 HD3 ARG 12 2HD ARG 12 9.757 -10.067 3.829 67 HE ARG 12 HE ARG 12 7.019 -10.686 3.188 68 HH11 ARG 12 2HH1 ARG 12 10.132 -11.973 4.067 69 HH12 ARG 12 1HH1 ARG 12 9.484 -13.435 4.735 70 HH21 ARG 12 2HH2 ARG 12 6.154 -12.606 4.064 71 HH22 ARG 12 1HH2 ARG 12 7.222 -13.794 4.732 72 H ASP 13 H ASP 13 5.240 -8.847 2.449 73 HA ASP 13 HA ASP 13 3.854 -8.954 4.250 74 HB2 ASP 13 1HB ASP 13 6.170 -8.629 5.356 75 HB3 ASP 13 2HB ASP 13 5.633 -6.979 5.660 76 H LEU 14 H LEU 14 3.286 -7.018 2.229 77 HA LEU 14 HA LEU 14 2.398 -4.609 3.550 78 HB2 LEU 14 1HB LEU 14 3.168 -4.419 1.293 79 HB3 LEU 14 2HB LEU 14 2.041 -5.661 0.751 80 HG LEU 14 HG LEU 14 0.182 -4.066 1.390 81 HD11 LEU 14 1HD1 LEU 14 2.317 -2.610 2.465 82 HD12 LEU 14 2HD1 LEU 14 0.629 -2.114 2.339 83 HD13 LEU 14 3HD1 LEU 14 1.768 -1.698 1.058 84 HD21 LEU 14 1HD2 LEU 14 0.123 -3.269 -0.736 85 HD22 LEU 14 2HD2 LEU 14 1.418 -4.449 -0.937 86 HD23 LEU 14 3HD2 LEU 14 1.806 -2.744 -0.706 87 H GLU 15 H GLU 15 0.644 -4.612 4.783 88 HA GLU 15 HA GLU 15 -1.799 -5.845 3.777 89 HB2 GLU 15 1HB GLU 15 -0.789 -7.580 5.183 90 HB3 GLU 15 2HB GLU 15 -0.671 -6.442 6.518 91 HG2 GLU 15 1HG GLU 15 -2.548 -7.869 6.888 92 HG3 GLU 15 2HG GLU 15 -3.137 -6.250 6.516 93 H ALA 16 H ALA 16 -3.725 -5.079 4.852 94 HA ALA 16 HA ALA 16 -3.503 -2.302 5.577 95 HB1 ALA 16 1HB ALA 16 -5.946 -2.332 5.618 96 HB2 ALA 16 2HB ALA 16 -5.320 -3.066 4.140 97 HB3 ALA 16 3HB ALA 16 -5.930 -4.087 5.442 98 H LYS 17 H LYS 17 -3.487 -1.451 7.558 99 HA LYS 17 HA LYS 17 -4.132 -3.215 9.830 100 HB2 LYS 17 1HB LYS 17 -2.098 -0.981 9.689 101 HB3 LYS 17 2HB LYS 17 -2.501 -1.885 11.143 102 HG2 LYS 17 1HG LYS 17 -1.636 -3.413 8.750 103 HG3 LYS 17 2HG LYS 17 -0.419 -2.502 9.647 104 HD2 LYS 17 1HD LYS 17 -0.616 -3.813 11.512 105 HD3 LYS 17 2HD LYS 17 -2.304 -4.211 11.187 106 HE2 LYS 17 1HE LYS 17 -1.659 -5.740 9.444 107 HE3 LYS 17 2HE LYS 17 0.029 -5.252 9.586 108 HZ1 LYS 17 1HZ LYS 17 -0.856 -6.072 12.108 109 HZ2 LYS 17 2HZ LYS 17 0.304 -6.804 11.119 110 HZ3 LYS 17 3HZ LYS 17 -1.320 -7.260 10.996 111 H GLU 18 H GLU 18 -4.894 -2.088 11.784 112 HA GLU 18 HA GLU 18 -6.725 -0.946 12.621 113 HB2 GLU 18 1HB GLU 18 -5.072 1.393 11.667 114 HB3 GLU 18 2HB GLU 18 -6.171 1.355 13.038 115 HG2 GLU 18 1HG GLU 18 -3.844 -0.504 12.975 116 HG3 GLU 18 2HG GLU 18 -3.598 1.190 13.397 117 H VAL 19 H VAL 19 -7.435 -1.796 10.118 118 HA VAL 19 HA VAL 19 -8.254 0.229 8.339 119 HB VAL 19 HB VAL 19 -9.445 -2.520 8.735 120 HG11 VAL 19 1HG1 VAL 19 -11.034 -1.660 7.388 121 HG12 VAL 19 2HG1 VAL 19 -10.006 -0.332 6.846 122 HG13 VAL 19 3HG1 VAL 19 -9.830 -1.934 6.129 123 HG21 VAL 19 1HG2 VAL 19 -8.025 -3.021 6.692 124 HG22 VAL 19 2HG2 VAL 19 -7.185 -1.507 7.028 125 HG23 VAL 19 3HG2 VAL 19 -7.161 -2.810 8.216 126 H THR 20 H THR 20 -9.820 1.683 8.501 127 HA THR 20 HA THR 20 -12.219 1.062 10.060 128 HB THR 20 HB THR 20 -12.029 3.592 10.822 129 HG1 THR 20 1HG THR 20 -9.381 2.793 10.231 130 HG21 THR 20 1HG2 THR 20 -10.500 2.542 12.787 131 HG22 THR 20 2HG2 THR 20 -11.071 1.066 12.008 132 HG23 THR 20 3HG2 THR 20 -12.230 2.242 12.627 133 HA PRO 21 HA PRO 21 -14.408 3.059 6.822 134 HB2 PRO 21 1HB PRO 21 -16.461 4.226 8.160 135 HB3 PRO 21 2HB PRO 21 -16.346 2.480 7.913 136 HG2 PRO 21 1HG PRO 21 -15.628 4.103 10.324 137 HG3 PRO 21 2HG PRO 21 -16.483 2.552 10.233 138 HD2 PRO 21 1HD PRO 21 -13.858 2.733 10.870 139 HD3 PRO 21 2HD PRO 21 -14.533 1.348 9.989 140 H ARG 22 H ARG 22 -12.826 4.837 9.208 141 HA ARG 22 HA ARG 22 -13.456 7.394 7.894 142 HB2 ARG 22 1HB ARG 22 -12.497 6.725 10.666 143 HB3 ARG 22 2HB ARG 22 -12.318 8.344 10.003 144 HG2 ARG 22 1HG ARG 22 -14.975 6.959 10.073 145 HG3 ARG 22 2HG ARG 22 -14.359 7.870 11.453 146 HD2 ARG 22 1HD ARG 22 -15.584 9.481 10.359 147 HD3 ARG 22 2HD ARG 22 -13.980 9.745 9.678 148 HE ARG 22 HE ARG 22 -15.673 7.940 8.182 149 HH11 ARG 22 2HH1 ARG 22 -14.586 11.216 8.630 150 HH12 ARG 22 1HH1 ARG 22 -15.009 11.714 7.026 151 HH21 ARG 22 2HH2 ARG 22 -16.235 8.583 6.067 152 HH22 ARG 22 1HH2 ARG 22 -15.948 10.216 5.569 153 H THR 23 H THR 23 -10.892 5.196 8.790 154 HA THR 23 HA THR 23 -9.108 6.492 6.912 155 HB THR 23 HB THR 23 -7.285 6.860 8.418 156 HG1 THR 23 1HG THR 23 -8.950 5.512 10.263 157 HG21 THR 23 1HG2 THR 23 -8.866 8.695 8.314 158 HG22 THR 23 2HG2 THR 23 -8.224 8.562 9.951 159 HG23 THR 23 3HG2 THR 23 -9.842 7.963 9.586 160 H ALA 24 H ALA 24 -6.880 5.258 7.020 161 HA ALA 24 HA ALA 24 -7.069 2.494 7.811 162 HB1 ALA 24 1HB ALA 24 -6.896 1.521 5.616 163 HB2 ALA 24 2HB ALA 24 -8.340 2.533 5.685 164 HB3 ALA 24 3HB ALA 24 -6.891 3.117 4.867 165 H LEU 25 H LEU 25 -5.120 2.040 8.576 166 HA LEU 25 HA LEU 25 -2.795 3.468 7.511 167 HB2 LEU 25 1HB LEU 25 -2.941 3.697 9.846 168 HB3 LEU 25 2HB LEU 25 -3.319 1.990 10.070 169 HG LEU 25 HG LEU 25 -0.870 1.725 9.054 170 HD11 LEU 25 1HD1 LEU 25 -1.088 4.522 9.511 171 HD12 LEU 25 2HD1 LEU 25 0.300 3.600 8.935 172 HD13 LEU 25 3HD1 LEU 25 0.066 3.853 10.665 173 HD21 LEU 25 1HD2 LEU 25 -1.127 0.682 11.054 174 HD22 LEU 25 2HD2 LEU 25 -1.903 2.075 11.810 175 HD23 LEU 25 3HD2 LEU 25 -0.151 2.047 11.597 176 H LEU 26 H LEU 26 -1.421 2.483 6.193 177 HA LEU 26 HA LEU 26 -1.556 -0.438 5.947 178 HB2 LEU 26 1HB LEU 26 -0.781 1.775 4.104 179 HB3 LEU 26 2HB LEU 26 -0.110 0.166 3.844 180 HG LEU 26 HG LEU 26 -3.073 0.598 4.043 181 HD11 LEU 26 1HD1 LEU 26 -1.271 1.087 1.700 182 HD12 LEU 26 2HD1 LEU 26 -2.595 2.077 2.312 183 HD13 LEU 26 3HD1 LEU 26 -2.940 0.562 1.479 184 HD21 LEU 26 1HD2 LEU 26 -2.173 -1.386 2.185 185 HD22 LEU 26 2HD2 LEU 26 -3.157 -1.581 3.635 186 HD23 LEU 26 3HD2 LEU 26 -1.398 -1.640 3.749 187 H THR 27 H THR 27 0.174 -1.726 6.309 188 HA THR 27 HA THR 27 2.698 -0.412 7.081 189 HB THR 27 HB THR 27 3.065 -2.221 8.717 190 HG1 THR 27 1HG THR 27 0.624 -3.100 7.648 191 HG21 THR 27 1HG2 THR 27 2.139 -0.207 9.597 192 HG22 THR 27 2HG2 THR 27 1.250 -1.543 10.329 193 HG23 THR 27 3HG2 THR 27 0.528 -0.619 9.012 194 H TRP 28 H TRP 28 4.622 -1.462 6.544 195 HA TRP 28 HA TRP 28 4.544 -3.968 5.099 196 HB2 TRP 28 1HB TRP 28 5.424 -3.163 3.034 197 HB3 TRP 28 2HB TRP 28 4.023 -2.162 3.407 198 HD1 TRP 28 HD TRP 28 7.851 -2.006 3.238 199 HE1 TRP 28 1HE TRP 28 8.565 0.465 3.153 200 HE3 TRP 28 3HE TRP 28 3.300 0.182 4.037 201 HZ2 TRP 28 2HZ TRP 28 7.360 3.006 3.394 202 HZ3 TRP 28 3HZ TRP 28 3.167 2.639 4.096 203 HH2 TRP 28 HH TRP 28 5.156 4.019 3.781 204 H THR 29 H THR 29 6.743 -4.719 4.516 205 HA THR 29 HA THR 29 8.641 -3.880 6.581 206 HB THR 29 HB THR 29 8.501 -6.366 4.874 207 HG1 THR 29 1HG THR 29 7.915 -5.696 7.533 208 HG21 THR 29 1HG2 THR 29 10.419 -6.926 6.687 209 HG22 THR 29 2HG2 THR 29 10.740 -5.213 6.414 210 HG23 THR 29 3HG2 THR 29 10.757 -6.341 5.059 211 H GLU 30 H GLU 30 10.128 -2.442 6.010 212 HA GLU 30 HA GLU 30 10.748 -1.758 3.348 213 HB2 GLU 30 1HB GLU 30 11.918 -1.108 6.021 214 HB3 GLU 30 2HB GLU 30 12.823 -0.689 4.574 215 HG2 GLU 30 1HG GLU 30 11.135 0.763 3.812 216 HG3 GLU 30 2HG GLU 30 9.968 0.139 4.976 217 HA PRO 31 HA PRO 31 13.666 -4.856 2.217 218 HB2 PRO 31 1HB PRO 31 14.948 -3.514 0.235 219 HB3 PRO 31 2HB PRO 31 13.318 -4.172 0.051 220 HG2 PRO 31 1HG PRO 31 14.171 -1.368 0.660 221 HG3 PRO 31 2HG PRO 31 12.912 -1.939 -0.452 222 HD2 PRO 31 1HD PRO 31 12.350 -0.979 2.017 223 HD3 PRO 31 2HD PRO 31 11.380 -2.249 1.242 224 HA PRO 32 HA PRO 32 17.577 -4.118 4.087 225 HB2 PRO 32 1HB PRO 32 19.314 -5.360 2.410 226 HB3 PRO 32 2HB PRO 32 18.194 -6.240 3.457 227 HG2 PRO 32 1HG PRO 32 17.950 -5.588 0.545 228 HG3 PRO 32 2HG PRO 32 17.579 -7.104 1.388 229 HD2 PRO 32 1HD PRO 32 15.664 -5.329 0.670 230 HD3 PRO 32 2HD PRO 32 15.532 -6.340 2.123 231 H VAL 33 H VAL 33 16.954 -2.891 0.954 232 HA VAL 33 HA VAL 33 19.317 -1.135 1.133 233 HB VAL 33 HB VAL 33 17.818 -1.956 -1.359 234 HG11 VAL 33 1HG1 VAL 33 19.520 0.266 -0.822 235 HG12 VAL 33 2HG1 VAL 33 20.345 -0.829 -1.934 236 HG13 VAL 33 3HG1 VAL 33 18.749 -0.197 -2.339 237 HG21 VAL 33 1HG2 VAL 33 19.123 -3.798 -0.492 238 HG22 VAL 33 2HG2 VAL 33 19.904 -3.148 -1.934 239 HG23 VAL 33 3HG2 VAL 33 20.540 -2.759 -0.335 240 H ARG 34 H ARG 34 18.364 0.509 2.306 241 HA ARG 34 HA ARG 34 15.857 1.591 2.073 242 HB2 ARG 34 1HB ARG 34 17.797 2.192 3.678 243 HB3 ARG 34 2HB ARG 34 18.254 3.364 2.448 244 HG2 ARG 34 1HG ARG 34 16.010 4.376 2.625 245 HG3 ARG 34 2HG ARG 34 15.634 3.243 3.925 246 HD2 ARG 34 1HD ARG 34 18.003 5.091 4.027 247 HD3 ARG 34 2HD ARG 34 16.408 5.568 4.607 248 HE ARG 34 HE ARG 34 18.256 3.779 5.889 249 HH11 ARG 34 2HH1 ARG 34 14.913 4.698 5.573 250 HH12 ARG 34 1HH1 ARG 34 14.460 4.075 7.125 251 HH21 ARG 34 2HH2 ARG 34 17.672 2.955 7.934 252 HH22 ARG 34 1HH2 ARG 34 16.030 3.085 8.467 253 HA PRO 35 HA PRO 35 15.998 3.042 -2.163 254 HB2 PRO 35 1HB PRO 35 13.392 3.798 -2.246 255 HB3 PRO 35 2HB PRO 35 13.909 2.115 -2.403 256 HG2 PRO 35 1HG PRO 35 12.850 3.555 -0.002 257 HG3 PRO 35 2HG PRO 35 12.465 1.927 -0.591 258 HD2 PRO 35 1HD PRO 35 14.187 2.367 1.451 259 HD3 PRO 35 2HD PRO 35 14.370 1.008 0.324 260 H ALA 36 H ALA 36 14.984 5.128 -3.199 261 HA ALA 36 HA ALA 36 16.036 7.360 -1.679 262 HB1 ALA 36 1HB ALA 36 14.862 7.351 -4.456 263 HB2 ALA 36 2HB ALA 36 15.833 8.625 -3.717 264 HB3 ALA 36 3HB ALA 36 16.561 7.060 -4.080 265 H GLY 37 H GLY 37 12.928 6.196 -2.846 266 HA2 GLY 37 1HA GLY 37 11.560 7.901 -0.958 267 HA3 GLY 37 2HA GLY 37 11.264 8.320 -2.639 268 H TYR 38 H TYR 38 9.015 7.820 -1.958 269 HA TYR 38 HA TYR 38 8.403 5.067 -2.665 270 HB2 TYR 38 1HB TYR 38 7.883 6.263 0.014 271 HB3 TYR 38 2HB TYR 38 6.637 5.227 -0.674 272 HD1 TYR 38 2HD TYR 38 7.575 2.932 -1.656 273 HD2 TYR 38 1HD TYR 38 9.497 5.274 1.331 274 HE1 TYR 38 2HE TYR 38 8.804 0.942 -0.895 275 HE2 TYR 38 1HE TYR 38 10.732 3.291 2.100 276 HH TYR 38 HH TYR 38 9.929 0.289 1.527 277 H LEU 39 H LEU 39 6.254 4.766 -3.403 278 HA LEU 39 HA LEU 39 4.675 7.212 -3.781 279 HB2 LEU 39 1HB LEU 39 6.079 6.677 -5.797 280 HB3 LEU 39 2HB LEU 39 5.148 5.190 -5.960 281 HG LEU 39 HG LEU 39 3.820 7.883 -5.971 282 HD11 LEU 39 1HD1 LEU 39 4.674 6.419 -8.449 283 HD12 LEU 39 2HD1 LEU 39 5.657 7.686 -7.716 284 HD13 LEU 39 3HD1 LEU 39 4.035 8.056 -8.301 285 HD21 LEU 39 1HD2 LEU 39 2.256 6.161 -5.689 286 HD22 LEU 39 2HD2 LEU 39 3.083 5.101 -6.830 287 HD23 LEU 39 3HD2 LEU 39 2.215 6.522 -7.415 288 H LEU 40 H LEU 40 2.994 6.693 -2.486 289 HA LEU 40 HA LEU 40 1.773 4.046 -2.727 290 HB2 LEU 40 1HB LEU 40 2.257 4.892 -0.482 291 HB3 LEU 40 2HB LEU 40 1.227 6.290 -0.788 292 HG LEU 40 HG LEU 40 -0.598 4.421 -1.183 293 HD11 LEU 40 1HD1 LEU 40 1.631 3.020 0.144 294 HD12 LEU 40 2HD1 LEU 40 0.337 2.393 -0.876 295 HD13 LEU 40 3HD1 LEU 40 0.026 2.749 0.823 296 HD21 LEU 40 1HD2 LEU 40 -1.134 4.580 1.261 297 HD22 LEU 40 2HD2 LEU 40 -0.863 6.126 0.457 298 HD23 LEU 40 3HD2 LEU 40 0.397 5.429 1.475 299 H SER 41 H SER 41 0.398 3.924 -4.390 300 HA SER 41 HA SER 41 -1.424 6.178 -4.881 301 HB2 SER 41 1HB SER 41 -0.187 5.629 -6.855 302 HB3 SER 41 2HB SER 41 -0.514 3.907 -6.656 303 HG SER 41 HG SER 41 -2.706 4.341 -7.076 304 H PHE 42 H PHE 42 -3.376 5.979 -4.030 305 HA PHE 42 HA PHE 42 -4.559 3.287 -3.831 306 HB2 PHE 42 1HB PHE 42 -5.649 3.904 -1.825 307 HB3 PHE 42 2HB PHE 42 -4.004 4.510 -1.658 308 HD1 PHE 42 2HD PHE 42 -3.610 6.976 -2.292 309 HD2 PHE 42 1HD PHE 42 -7.447 5.318 -1.492 310 HE1 PHE 42 2HE PHE 42 -4.486 9.230 -1.840 311 HE2 PHE 42 1HE PHE 42 -8.330 7.569 -1.040 312 HZ PHE 42 HZ PHE 42 -6.849 9.529 -1.212 313 H HIS 43 H HIS 43 -6.230 2.957 -5.125 314 HA HIS 43 HA HIS 43 -8.010 5.210 -5.755 315 HB2 HIS 43 1HB HIS 43 -7.939 4.865 -8.033 316 HB3 HIS 43 2HB HIS 43 -6.279 4.465 -7.601 317 HD1 HIS 43 1HD HIS 43 -6.145 1.678 -6.948 318 HD2 HIS 43 2HD HIS 43 -8.932 3.021 -9.721 319 HE1 HIS 43 1HE HIS 43 -6.766 -0.343 -8.311 320 HE2 HIS 43 2HE HIS 43 -8.389 0.512 -10.037 321 H THR 44 H THR 44 -10.166 4.594 -6.376 322 HA THR 44 HA THR 44 -11.030 2.186 -4.985 323 HB THR 44 HB THR 44 -13.109 3.132 -4.781 324 HG1 THR 44 1HG THR 44 -14.123 4.120 -6.401 325 HG21 THR 44 1HG2 THR 44 -12.888 5.399 -4.161 326 HG22 THR 44 2HG2 THR 44 -11.609 5.680 -5.342 327 HG23 THR 44 3HG2 THR 44 -11.291 4.694 -3.915 328 HA PRO 45 HA PRO 45 -11.795 -0.252 -8.557 329 HB2 PRO 45 1HB PRO 45 -13.969 -1.669 -7.761 330 HB3 PRO 45 2HB PRO 45 -12.347 -1.959 -7.123 331 HG2 PRO 45 1HG PRO 45 -14.602 -0.399 -5.923 332 HG3 PRO 45 2HG PRO 45 -13.492 -1.540 -5.143 333 HD2 PRO 45 1HD PRO 45 -13.185 1.144 -4.964 334 HD3 PRO 45 2HD PRO 45 -11.808 0.024 -4.967 335 H GLY 46 H GLY 46 -12.408 1.737 -9.778 336 HA2 GLY 46 1HA GLY 46 -14.140 1.816 -11.595 337 HA3 GLY 46 2HA GLY 46 -15.317 1.820 -10.290 338 H GLY 47 H GLY 47 -12.875 3.573 -9.079 339 HA2 GLY 47 1HA GLY 47 -13.993 6.091 -10.149 340 HA3 GLY 47 2HA GLY 47 -13.479 5.883 -8.482 341 H GLN 48 H GLN 48 -12.498 7.996 -9.827 342 HA GLN 48 HA GLN 48 -10.213 7.714 -11.349 343 HB2 GLN 48 1HB GLN 48 -11.552 9.828 -10.344 344 HB3 GLN 48 2HB GLN 48 -10.144 9.842 -9.290 345 HG2 GLN 48 1HG GLN 48 -9.339 11.162 -10.931 346 HG3 GLN 48 2HG GLN 48 -8.889 9.603 -11.618 347 HE21 GLN 48 1HE2 GLN 48 -10.014 8.805 -13.380 348 HE22 GLN 48 2HE2 GLN 48 -11.066 9.791 -14.332 349 H THR 49 H THR 49 -7.951 8.404 -10.520 350 HA THR 49 HA THR 49 -7.316 6.760 -8.156 351 HB THR 49 HB THR 49 -5.713 7.208 -10.675 352 HG1 THR 49 1HG THR 49 -7.092 5.505 -10.929 353 HG21 THR 49 1HG2 THR 49 -3.899 5.995 -9.683 354 HG22 THR 49 2HG2 THR 49 -4.832 5.697 -8.216 355 HG23 THR 49 3HG2 THR 49 -4.302 7.332 -8.608 356 H GLN 50 H GLN 50 -5.756 7.502 -6.708 357 HA GLN 50 HA GLN 50 -4.942 10.313 -7.046 358 HB2 GLN 50 1HB GLN 50 -6.706 10.255 -5.404 359 HB3 GLN 50 2HB GLN 50 -5.925 8.936 -4.544 360 HG2 GLN 50 1HG GLN 50 -4.389 10.295 -3.559 361 HG3 GLN 50 2HG GLN 50 -4.406 11.459 -4.883 362 HE21 GLN 50 1HE2 GLN 50 -4.428 12.525 -2.487 363 HE22 GLN 50 2HE2 GLN 50 -5.990 13.121 -2.053 364 H GLU 51 H GLU 51 -2.895 10.874 -6.370 365 HA GLU 51 HA GLU 51 -1.163 8.633 -5.557 366 HB2 GLU 51 1HB GLU 51 -0.697 10.904 -7.463 367 HB3 GLU 51 2HB GLU 51 0.661 10.126 -6.661 368 HG2 GLU 51 1HG GLU 51 -0.176 7.945 -7.570 369 HG3 GLU 51 2HG GLU 51 -1.330 8.871 -8.529 370 H ILE 52 H ILE 52 0.373 8.982 -3.974 371 HA ILE 52 HA ILE 52 0.349 11.612 -2.658 372 HB ILE 52 HB ILE 52 0.189 8.944 -1.250 373 HG12 ILE 52 1HG1 ILE 52 -1.771 11.227 -1.538 374 HG13 ILE 52 2HG1 ILE 52 -1.971 9.571 -2.101 375 HG21 ILE 52 1HG2 ILE 52 1.650 10.582 -0.113 376 HG22 ILE 52 2HG2 ILE 52 0.298 11.712 -0.063 377 HG23 ILE 52 3HG2 ILE 52 0.204 10.187 0.817 378 HD11 ILE 52 1HD1 ILE 52 -2.327 10.719 0.589 379 HD12 ILE 52 2HD1 ILE 52 -3.201 9.420 -0.222 380 HD13 ILE 52 3HD1 ILE 52 -1.627 9.103 0.506 381 H LEU 53 H LEU 53 2.324 12.411 -2.411 382 HA LEU 53 HA LEU 53 4.645 10.921 -3.098 383 HB2 LEU 53 1HB LEU 53 4.393 13.352 -3.459 384 HB3 LEU 53 2HB LEU 53 4.446 13.593 -1.714 385 HG LEU 53 HG LEU 53 6.760 12.587 -1.763 386 HD11 LEU 53 1HD1 LEU 53 7.914 12.702 -3.962 387 HD12 LEU 53 2HD1 LEU 53 6.341 12.923 -4.727 388 HD13 LEU 53 3HD1 LEU 53 6.696 11.431 -3.858 389 HD21 LEU 53 1HD2 LEU 53 6.435 15.098 -3.396 390 HD22 LEU 53 2HD2 LEU 53 7.801 14.645 -2.377 391 HD23 LEU 53 3HD2 LEU 53 6.243 15.030 -1.644 392 H LEU 54 H LEU 54 5.052 9.224 -1.761 393 HA LEU 54 HA LEU 54 5.051 9.595 1.120 394 HB2 LEU 54 1HB LEU 54 5.253 7.286 -0.737 395 HB3 LEU 54 2HB LEU 54 5.958 7.114 0.869 396 HG LEU 54 HG LEU 54 3.559 6.278 0.481 397 HD11 LEU 54 1HD1 LEU 54 3.513 8.129 2.771 398 HD12 LEU 54 2HD1 LEU 54 4.895 7.038 2.690 399 HD13 LEU 54 3HD1 LEU 54 3.257 6.385 2.710 400 HD21 LEU 54 1HD2 LEU 54 3.157 9.256 0.496 401 HD22 LEU 54 2HD2 LEU 54 1.886 8.129 0.969 402 HD23 LEU 54 3HD2 LEU 54 2.555 8.071 -0.663 403 HA PRO 55 HA PRO 55 9.350 10.483 1.460 404 HB2 PRO 55 1HB PRO 55 9.745 9.692 4.027 405 HB3 PRO 55 2HB PRO 55 8.883 11.174 3.601 406 HG2 PRO 55 1HG PRO 55 7.784 8.497 4.366 407 HG3 PRO 55 2HG PRO 55 7.255 10.111 4.876 408 HD2 PRO 55 1HD PRO 55 5.975 8.699 2.952 409 HD3 PRO 55 2HD PRO 55 6.065 10.472 2.936 410 H GLY 56 H GLY 56 11.232 9.179 2.932 411 HA2 GLY 56 1HA GLY 56 11.200 6.405 1.930 412 HA3 GLY 56 2HA GLY 56 12.582 7.449 1.629 413 H GLY 57 H GLY 57 10.995 5.394 3.882 414 HA2 GLY 57 1HA GLY 57 12.802 4.421 5.421 415 HA3 GLY 57 2HA GLY 57 12.961 6.084 5.965 416 H ILE 58 H ILE 58 9.897 4.613 5.114 417 HA ILE 58 HA ILE 58 9.182 4.535 7.970 418 HB ILE 58 HB ILE 58 7.098 5.541 7.610 419 HG12 ILE 58 1HG1 ILE 58 7.590 5.353 4.629 420 HG13 ILE 58 2HG1 ILE 58 6.537 4.284 5.549 421 HG21 ILE 58 1HG2 ILE 58 7.612 7.690 6.515 422 HG22 ILE 58 2HG2 ILE 58 8.885 7.167 7.616 423 HG23 ILE 58 3HG2 ILE 58 9.097 6.985 5.875 424 HD11 ILE 58 1HD1 ILE 58 5.265 5.983 4.375 425 HD12 ILE 58 2HD1 ILE 58 5.114 6.179 6.121 426 HD13 ILE 58 3HD1 ILE 58 6.171 7.250 5.201 427 H THR 59 H THR 59 7.532 3.039 8.547 428 HA THR 59 HA THR 59 7.093 0.912 6.552 429 HB THR 59 HB THR 59 7.151 -0.739 8.357 430 HG1 THR 59 1HG THR 59 7.781 -0.076 10.450 431 HG21 THR 59 1HG2 THR 59 9.650 -0.129 9.106 432 HG22 THR 59 2HG2 THR 59 9.474 1.001 7.763 433 HG23 THR 59 3HG2 THR 59 9.255 -0.728 7.496 434 H SER 60 H SER 60 5.480 3.300 7.620 435 HA SER 60 HA SER 60 2.945 2.004 7.554 436 HB2 SER 60 1HB SER 60 2.224 2.845 9.843 437 HB3 SER 60 2HB SER 60 3.314 1.459 9.845 438 HG SER 60 HG SER 60 3.723 3.471 11.248 439 H HIS 61 H HIS 61 1.472 3.378 6.765 440 HA HIS 61 HA HIS 61 1.815 6.255 7.176 441 HB2 HIS 61 1HB HIS 61 2.840 5.335 4.942 442 HB3 HIS 61 2HB HIS 61 1.159 5.285 4.418 443 HD1 HIS 61 1HD HIS 61 0.722 7.270 3.025 444 HD2 HIS 61 2HD HIS 61 3.171 8.173 6.257 445 HE1 HIS 61 1HE HIS 61 1.136 9.746 2.883 446 HE2 HIS 61 2HE HIS 61 2.690 10.255 4.799 447 H GLN 62 H GLN 62 -0.048 7.185 7.706 448 HA GLN 62 HA GLN 62 -2.495 5.656 7.585 449 HB2 GLN 62 1HB GLN 62 -2.070 6.924 9.588 450 HB3 GLN 62 2HB GLN 62 -1.866 8.406 8.664 451 HG2 GLN 62 1HG GLN 62 -3.986 8.713 9.406 452 HG3 GLN 62 2HG GLN 62 -4.329 7.862 7.901 453 HE21 GLN 62 1HE2 GLN 62 -5.243 5.870 7.964 454 HE22 GLN 62 2HE2 GLN 62 -5.756 5.090 9.417 455 H LEU 63 H LEU 63 -4.290 6.082 6.364 456 HA LEU 63 HA LEU 63 -3.924 8.030 4.188 457 HB2 LEU 63 1HB LEU 63 -5.495 5.466 4.317 458 HB3 LEU 63 2HB LEU 63 -5.649 6.629 3.002 459 HG LEU 63 HG LEU 63 -3.107 5.178 3.733 460 HD11 LEU 63 1HD1 LEU 63 -3.497 3.864 1.720 461 HD12 LEU 63 2HD1 LEU 63 -5.040 4.681 1.472 462 HD13 LEU 63 3HD1 LEU 63 -4.807 3.644 2.880 463 HD21 LEU 63 1HD2 LEU 63 -3.494 7.524 2.281 464 HD22 LEU 63 2HD2 LEU 63 -3.294 6.261 1.065 465 HD23 LEU 63 3HD2 LEU 63 -2.053 6.506 2.295 466 H LEU 64 H LEU 64 -5.584 9.426 3.637 467 HA LEU 64 HA LEU 64 -7.860 9.524 5.505 468 HB2 LEU 64 1HB LEU 64 -6.529 11.929 4.282 469 HB3 LEU 64 2HB LEU 64 -7.759 11.902 5.544 470 HG LEU 64 HG LEU 64 -4.909 10.953 5.840 471 HD11 LEU 64 1HD1 LEU 64 -4.806 12.919 7.417 472 HD12 LEU 64 2HD1 LEU 64 -6.321 13.465 6.700 473 HD13 LEU 64 3HD1 LEU 64 -4.877 13.312 5.699 474 HD21 LEU 64 1HD2 LEU 64 -5.862 11.245 8.345 475 HD22 LEU 64 2HD2 LEU 64 -5.857 9.715 7.467 476 HD23 LEU 64 3HD2 LEU 64 -7.320 10.700 7.514 477 H GLY 65 H GLY 65 -9.857 10.058 4.667 478 HA2 GLY 65 1HA GLY 65 -11.373 10.762 3.011 479 HA3 GLY 65 2HA GLY 65 -10.061 10.766 1.842 480 H LEU 66 H LEU 66 -11.455 8.294 4.002 481 HA LEU 66 HA LEU 66 -11.623 6.509 1.668 482 HB2 LEU 66 1HB LEU 66 -11.578 5.701 4.567 483 HB3 LEU 66 2HB LEU 66 -11.413 4.654 3.158 484 HG LEU 66 HG LEU 66 -9.402 6.655 4.182 485 HD11 LEU 66 1HD1 LEU 66 -9.734 4.348 5.282 486 HD12 LEU 66 2HD1 LEU 66 -8.104 4.842 4.826 487 HD13 LEU 66 3HD1 LEU 66 -8.999 3.711 3.811 488 HD21 LEU 66 1HD2 LEU 66 -8.011 6.126 2.350 489 HD22 LEU 66 2HD2 LEU 66 -9.592 6.501 1.663 490 HD23 LEU 66 3HD2 LEU 66 -9.074 4.822 1.820 491 H PHE 67 H PHE 67 -13.473 5.231 1.371 492 HA PHE 67 HA PHE 67 -15.891 6.398 2.520 493 HB2 PHE 67 1HB PHE 67 -15.474 4.516 0.190 494 HB3 PHE 67 2HB PHE 67 -17.052 5.070 0.739 495 HD1 PHE 67 2HD PHE 67 -16.565 7.890 1.310 496 HD2 PHE 67 1HD PHE 67 -15.160 5.464 -1.892 497 HE1 PHE 67 2HE PHE 67 -16.356 9.889 -0.109 498 HE2 PHE 67 1HE PHE 67 -14.947 7.459 -3.316 499 HZ PHE 67 HZ PHE 67 -15.547 9.675 -2.425 500 HA PRO 68 HA PRO 68 -16.746 3.029 5.204 501 HB2 PRO 68 1HB PRO 68 -19.460 3.071 5.204 502 HB3 PRO 68 2HB PRO 68 -18.481 4.293 6.024 503 HG2 PRO 68 1HG PRO 68 -19.822 4.421 3.350 504 HG3 PRO 68 2HG PRO 68 -19.739 5.655 4.621 505 HD2 PRO 68 1HD PRO 68 -18.143 5.705 2.433 506 HD3 PRO 68 2HD PRO 68 -17.615 6.315 4.014 507 H SER 69 H SER 69 -16.403 0.975 4.645 508 HA SER 69 HA SER 69 -16.679 -1.093 3.736 509 HB2 SER 69 1HB SER 69 -19.031 -0.826 4.467 510 HB3 SER 69 2HB SER 69 -19.411 -0.072 2.919 511 HG SER 69 HG SER 69 -19.861 -2.101 2.455 512 H THR 70 H THR 70 -15.356 0.873 2.237 513 HA THR 70 HA THR 70 -16.092 0.113 -0.516 514 HB THR 70 HB THR 70 -14.735 2.656 0.400 515 HG1 THR 70 1HG THR 70 -17.230 2.425 -0.928 516 HG21 THR 70 1HG2 THR 70 -15.699 2.634 -2.322 517 HG22 THR 70 2HG2 THR 70 -14.520 1.350 -2.059 518 HG23 THR 70 3HG2 THR 70 -14.095 3.024 -1.705 519 H SER 71 H SER 71 -14.675 -1.168 -1.487 520 HA SER 71 HA SER 71 -12.182 -1.851 -0.322 521 HB2 SER 71 1HB SER 71 -13.361 -3.487 -1.653 522 HB3 SER 71 2HB SER 71 -13.328 -2.428 -3.063 523 HG SER 71 HG SER 71 -10.886 -3.079 -1.894 524 H TYR 72 H TYR 72 -10.098 -1.342 -0.920 525 HA TYR 72 HA TYR 72 -9.762 0.763 -2.944 526 HB2 TYR 72 1HB TYR 72 -8.781 0.760 -0.100 527 HB3 TYR 72 2HB TYR 72 -7.960 1.696 -1.344 528 HD1 TYR 72 1HD TYR 72 -11.035 1.358 0.629 529 HD2 TYR 72 2HD TYR 72 -8.982 3.671 -2.294 530 HE1 TYR 72 1HE TYR 72 -12.651 3.185 0.949 531 HE2 TYR 72 2HE TYR 72 -10.591 5.504 -1.981 532 HH TYR 72 HH TYR 72 -12.197 6.317 -0.523 533 H ASN 73 H ASN 73 -7.686 0.861 -3.920 534 HA ASN 73 HA ASN 73 -6.104 -1.603 -3.589 535 HB2 ASN 73 1HB ASN 73 -7.167 -1.714 -5.723 536 HB3 ASN 73 2HB ASN 73 -6.760 -0.039 -6.086 537 HD21 ASN 73 1HD2 ASN 73 -5.440 -3.257 -5.626 538 HD22 ASN 73 2HD2 ASN 73 -4.011 -3.007 -6.565 539 H ALA 74 H ALA 74 -4.420 -0.969 -2.362 540 HA ALA 74 HA ALA 74 -3.070 1.555 -2.959 541 HB1 ALA 74 1HB ALA 74 -1.735 0.925 -0.879 542 HB2 ALA 74 2HB ALA 74 -3.440 1.317 -0.656 543 HB3 ALA 74 3HB ALA 74 -2.916 -0.367 -0.657 544 H ARG 75 H ARG 75 -0.904 1.696 -3.526 545 HA ARG 75 HA ARG 75 0.493 -0.811 -4.137 546 HB2 ARG 75 1HB ARG 75 -0.734 0.358 -6.146 547 HB3 ARG 75 2HB ARG 75 0.641 1.453 -6.089 548 HG2 ARG 75 1HG ARG 75 1.983 -0.831 -6.084 549 HG3 ARG 75 2HG ARG 75 0.513 -1.400 -6.878 550 HD2 ARG 75 1HD ARG 75 0.869 0.808 -8.296 551 HD3 ARG 75 2HD ARG 75 2.545 0.562 -7.804 552 HE ARG 75 HE ARG 75 1.727 -1.871 -8.751 553 HH11 ARG 75 2HH1 ARG 75 1.871 1.367 -10.023 554 HH12 ARG 75 1HH1 ARG 75 2.108 0.853 -11.660 555 HH21 ARG 75 2HH2 ARG 75 2.039 -2.560 -10.903 556 HH22 ARG 75 1HH2 ARG 75 2.203 -1.381 -12.160 557 H LEU 76 H LEU 76 2.376 -0.778 -3.120 558 HA LEU 76 HA LEU 76 3.612 1.789 -2.458 559 HB2 LEU 76 1HB LEU 76 3.185 -0.094 -0.772 560 HB3 LEU 76 2HB LEU 76 4.544 -0.912 -1.540 561 HG LEU 76 HG LEU 76 5.902 1.173 -0.982 562 HD11 LEU 76 1HD1 LEU 76 4.312 2.795 -0.460 563 HD12 LEU 76 2HD1 LEU 76 4.956 2.314 1.109 564 HD13 LEU 76 3HD1 LEU 76 3.394 1.699 0.572 565 HD21 LEU 76 1HD2 LEU 76 6.005 -1.036 0.194 566 HD22 LEU 76 2HD2 LEU 76 4.857 -0.393 1.369 567 HD23 LEU 76 3HD2 LEU 76 6.445 0.353 1.187 568 H GLN 77 H GLN 77 4.979 2.549 -3.932 569 HA GLN 77 HA GLN 77 6.898 0.673 -5.144 570 HB2 GLN 77 1HB GLN 77 4.985 1.735 -6.620 571 HB3 GLN 77 2HB GLN 77 6.056 3.131 -6.617 572 HG2 GLN 77 1HG GLN 77 7.873 1.624 -7.449 573 HG3 GLN 77 2HG GLN 77 6.650 0.369 -7.642 574 HE21 GLN 77 1HE2 GLN 77 7.920 0.934 -9.843 575 HE22 GLN 77 2HE2 GLN 77 6.989 1.920 -10.913 576 H ALA 78 H ALA 78 8.953 1.151 -4.754 577 HA ALA 78 HA ALA 78 9.595 3.799 -3.669 578 HB1 ALA 78 1HB ALA 78 10.542 1.099 -3.158 579 HB2 ALA 78 2HB ALA 78 11.857 2.252 -3.387 580 HB3 ALA 78 3HB ALA 78 10.635 2.542 -2.149 581 H MET 79 H MET 79 11.099 5.132 -4.581 582 HA MET 79 HA MET 79 11.740 4.647 -7.353 583 HB2 MET 79 1HB MET 79 12.562 6.987 -5.631 584 HB3 MET 79 2HB MET 79 12.540 6.919 -7.388 585 HG2 MET 79 1HG MET 79 10.105 6.713 -7.347 586 HG3 MET 79 2HG MET 79 10.133 6.796 -5.587 587 HE1 MET 79 1HE MET 79 8.924 9.658 -5.020 588 HE2 MET 79 2HE MET 79 9.981 8.430 -4.322 589 HE3 MET 79 3HE MET 79 10.555 10.088 -4.505 590 H TRP 80 H TRP 80 13.499 3.607 -7.992 591 HA TRP 80 HA TRP 80 15.905 3.739 -6.294 592 HB2 TRP 80 1HB TRP 80 14.612 1.451 -7.703 593 HB3 TRP 80 2HB TRP 80 16.372 1.476 -7.615 594 HD1 TRP 80 HD TRP 80 17.438 1.504 -5.071 595 HE1 TRP 80 1HE TRP 80 16.538 0.437 -2.909 596 HE3 TRP 80 3HE TRP 80 12.563 0.843 -6.462 597 HZ2 TRP 80 2HZ TRP 80 14.086 -0.555 -1.924 598 HZ3 TRP 80 3HZ TRP 80 11.005 -0.173 -4.851 599 HH2 TRP 80 HH TRP 80 11.752 -0.857 -2.630 600 H GLY 81 H GLY 81 17.109 5.271 -7.285 601 HA2 GLY 81 1HA GLY 81 18.087 6.464 -9.029 602 HA3 GLY 81 2HA GLY 81 18.765 4.873 -9.341 603 H GLN 82 H GLN 82 18.738 4.594 -11.476 604 HA GLN 82 HA GLN 82 16.572 5.643 -13.087 605 HB2 GLN 82 1HB GLN 82 19.154 5.473 -13.637 606 HB3 GLN 82 2HB GLN 82 18.697 3.876 -14.215 607 HG2 GLN 82 1HG GLN 82 18.703 5.475 -16.029 608 HG3 GLN 82 2HG GLN 82 17.069 4.885 -15.727 609 HE21 GLN 82 1HE2 GLN 82 19.206 7.492 -14.606 610 HE22 GLN 82 2HE2 GLN 82 18.005 8.732 -14.668 611 H SER 83 H SER 83 15.619 3.765 -11.312 612 HA SER 83 HA SER 83 14.434 1.866 -13.116 613 HB2 SER 83 1HB SER 83 16.354 0.964 -10.976 614 HB3 SER 83 2HB SER 83 15.075 -0.092 -11.575 615 HG SER 83 HG SER 83 15.965 0.064 -13.635 616 H LEU 84 H LEU 84 12.611 0.784 -12.207 617 HA LEU 84 HA LEU 84 11.717 1.873 -9.622 618 HB2 LEU 84 1HB LEU 84 10.063 1.490 -12.113 619 HB3 LEU 84 2HB LEU 84 9.429 1.961 -10.537 620 HG LEU 84 HG LEU 84 11.492 3.634 -11.928 621 HD11 LEU 84 1HD1 LEU 84 9.906 3.602 -13.615 622 HD12 LEU 84 2HD1 LEU 84 9.416 4.994 -12.650 623 HD13 LEU 84 3HD1 LEU 84 8.558 3.462 -12.486 624 HD21 LEU 84 1HD2 LEU 84 9.357 4.164 -9.868 625 HD22 LEU 84 2HD2 LEU 84 10.347 5.415 -10.619 626 HD23 LEU 84 3HD2 LEU 84 11.104 4.170 -9.624 627 H LEU 85 H LEU 85 12.326 -0.051 -8.580 628 HA LEU 85 HA LEU 85 11.895 -2.643 -9.244 629 HB2 LEU 85 1HB LEU 85 11.432 -1.401 -6.537 630 HB3 LEU 85 2HB LEU 85 11.642 -3.125 -6.837 631 HG LEU 85 HG LEU 85 13.705 -0.953 -7.187 632 HD11 LEU 85 1HD1 LEU 85 14.167 -3.322 -5.494 633 HD12 LEU 85 2HD1 LEU 85 12.978 -2.163 -4.901 634 HD13 LEU 85 3HD1 LEU 85 14.625 -1.637 -5.246 635 HD21 LEU 85 1HD2 LEU 85 14.130 -2.440 -8.951 636 HD22 LEU 85 2HD2 LEU 85 13.719 -3.852 -7.977 637 HD23 LEU 85 3HD2 LEU 85 15.207 -2.960 -7.654 638 HA PRO 86 HA PRO 86 7.588 -3.431 -9.574 639 HB2 PRO 86 1HB PRO 86 7.461 -5.996 -8.696 640 HB3 PRO 86 2HB PRO 86 8.152 -5.550 -10.260 641 HG2 PRO 86 1HG PRO 86 9.541 -6.157 -7.679 642 HG3 PRO 86 2HG PRO 86 9.960 -6.672 -9.323 643 HD2 PRO 86 1HD PRO 86 11.212 -4.620 -8.076 644 HD3 PRO 86 2HD PRO 86 10.963 -4.660 -9.833 645 HA PRO 87 HA PRO 87 6.325 -2.397 -5.367 646 HB2 PRO 87 1HB PRO 87 3.896 -1.425 -6.095 647 HB3 PRO 87 2HB PRO 87 5.389 -0.489 -6.242 648 HG2 PRO 87 1HG PRO 87 3.901 -2.023 -8.338 649 HG3 PRO 87 2HG PRO 87 4.647 -0.418 -8.444 650 HD2 PRO 87 1HD PRO 87 5.833 -2.645 -9.429 651 HD3 PRO 87 2HD PRO 87 6.759 -1.283 -8.765 652 H VAL 88 H VAL 88 4.051 -2.755 -4.271 653 HA VAL 88 HA VAL 88 3.072 -5.429 -5.037 654 HB VAL 88 HB VAL 88 2.618 -5.671 -2.499 655 HG11 VAL 88 1HG1 VAL 88 5.533 -5.791 -2.968 656 HG12 VAL 88 2HG1 VAL 88 4.421 -7.035 -2.394 657 HG13 VAL 88 3HG1 VAL 88 4.513 -6.660 -4.115 658 HG21 VAL 88 1HG2 VAL 88 3.647 -3.127 -2.435 659 HG22 VAL 88 2HG2 VAL 88 3.495 -4.208 -1.050 660 HG23 VAL 88 3HG2 VAL 88 5.019 -4.115 -1.931 661 H SER 89 H SER 89 0.898 -5.772 -4.964 662 HA SER 89 HA SER 89 -0.767 -3.441 -4.273 663 HB2 SER 89 1HB SER 89 -2.359 -4.185 -5.944 664 HB3 SER 89 2HB SER 89 -0.763 -4.080 -6.685 665 HG SER 89 HG SER 89 -2.073 -6.427 -5.774 666 H THR 90 H THR 90 -2.351 -3.666 -2.809 667 HA THR 90 HA THR 90 -3.185 -6.360 -2.008 668 HB THR 90 HB THR 90 -1.365 -5.442 -0.463 669 HG1 THR 90 1HG THR 90 -2.661 -7.120 0.255 670 HG21 THR 90 1HG2 THR 90 -2.014 -3.814 1.187 671 HG22 THR 90 2HG2 THR 90 -3.645 -3.726 0.523 672 HG23 THR 90 3HG2 THR 90 -2.278 -3.123 -0.413 673 H SER 91 H SER 91 -5.321 -6.536 -1.719 674 HA SER 91 HA SER 91 -6.934 -4.111 -1.922 675 HB2 SER 91 1HB SER 91 -8.823 -5.844 -2.157 676 HB3 SER 91 2HB SER 91 -7.648 -5.743 -3.469 677 HG SER 91 HG SER 91 -7.971 -7.725 -1.509 678 H PHE 92 H PHE 92 -7.841 -3.208 -0.207 679 HA PHE 92 HA PHE 92 -8.470 -4.888 2.122 680 HB2 PHE 92 1HB PHE 92 -7.631 -3.223 3.643 681 HB3 PHE 92 2HB PHE 92 -6.356 -3.598 2.488 682 HD1 PHE 92 1HD PHE 92 -5.847 -2.001 0.658 683 HD2 PHE 92 2HD PHE 92 -8.536 -1.049 3.817 684 HE1 PHE 92 1HE PHE 92 -5.643 0.388 0.107 685 HE2 PHE 92 2HE PHE 92 -8.337 1.342 3.271 686 HZ PHE 92 HZ PHE 92 -6.890 2.063 1.413 687 H THR 93 H THR 93 -10.356 -4.426 3.168 688 HA THR 93 HA THR 93 -12.029 -2.332 1.946 689 HB THR 93 HB THR 93 -13.003 -4.751 3.472 690 HG1 THR 93 1HG THR 93 -12.622 -4.343 0.680 691 HG21 THR 93 1HG2 THR 93 -14.548 -3.108 1.492 692 HG22 THR 93 2HG2 THR 93 -14.435 -2.622 3.183 693 HG23 THR 93 3HG2 THR 93 -15.151 -4.176 2.758 694 H THR 94 H THR 94 -13.137 -0.892 3.220 695 HA THR 94 HA THR 94 -12.137 -0.581 5.930 696 HB THR 94 HB THR 94 -13.193 1.601 5.910 697 HG1 THR 94 1HG THR 94 -14.671 2.162 4.440 698 HG21 THR 94 1HG2 THR 94 -11.581 0.812 3.514 699 HG22 THR 94 2HG2 THR 94 -11.111 1.783 4.909 700 HG23 THR 94 3HG2 THR 94 -12.169 2.466 3.675 701 H GLY 95 H GLY 95 -13.551 -0.192 7.745 702 HA2 GLY 95 1HA GLY 95 -15.635 -2.112 7.935 703 HA3 GLY 95 2HA GLY 95 -15.224 -0.909 9.149 704 H GLY 96 H GLY 96 -17.252 -0.224 9.674 705 HA2 GLY 96 1HA GLY 96 -18.604 1.381 7.635 706 HA3 GLY 96 2HA GLY 96 -19.532 0.098 8.397 707 H LEU 97 H LEU 97 -19.956 2.999 8.441 708 HA LEU 97 HA LEU 97 -19.216 4.049 10.963 709 HB2 LEU 97 1HB LEU 97 -21.484 4.796 9.125 710 HB3 LEU 97 2HB LEU 97 -20.967 5.738 10.521 711 HG LEU 97 HG LEU 97 -19.206 5.156 8.145 712 HD11 LEU 97 1HD1 LEU 97 -21.348 7.099 8.500 713 HD12 LEU 97 2HD1 LEU 97 -20.499 6.598 7.038 714 HD13 LEU 97 3HD1 LEU 97 -19.799 7.833 8.085 715 HD21 LEU 97 1HD2 LEU 97 -18.720 7.507 9.813 716 HD22 LEU 97 2HD2 LEU 97 -17.594 6.296 9.200 717 HD23 LEU 97 3HD2 LEU 97 -18.525 5.974 10.663 718 H ARG 98 H ARG 98 -19.715 2.543 12.557 719 HA ARG 98 HA ARG 98 -22.585 2.325 13.170 720 HB2 ARG 98 1HB ARG 98 -21.405 0.188 12.279 721 HB3 ARG 98 2HB ARG 98 -20.659 0.132 13.870 722 HG2 ARG 98 1HG ARG 98 -22.511 -1.246 14.084 723 HG3 ARG 98 2HG ARG 98 -23.056 0.283 14.776 724 HD2 ARG 98 1HD ARG 98 -24.128 0.851 12.641 725 HD3 ARG 98 2HD ARG 98 -23.602 -0.695 11.976 726 HE ARG 98 HE ARG 98 -25.055 -1.201 14.307 727 HH11 ARG 98 2HH1 ARG 98 -25.559 0.060 11.101 728 HH12 ARG 98 1HH1 ARG 98 -27.212 -0.453 11.018 729 HH21 ARG 98 2HH2 ARG 98 -27.230 -1.881 14.209 730 HH22 ARG 98 1HH2 ARG 98 -28.162 -1.556 12.787 731 H ILE 99 H ILE 99 -23.159 2.692 15.255 732 HA ILE 99 HA ILE 99 -21.174 3.863 16.985 733 HB ILE 99 HB ILE 99 -24.113 3.372 17.483 734 HG12 ILE 99 1HG1 ILE 99 -23.955 6.016 17.163 735 HG13 ILE 99 2HG1 ILE 99 -22.584 5.560 16.158 736 HG21 ILE 99 1HG2 ILE 99 -22.576 3.666 19.488 737 HG22 ILE 99 2HG2 ILE 99 -22.336 5.318 18.921 738 HG23 ILE 99 3HG2 ILE 99 -23.950 4.766 19.368 739 HD11 ILE 99 1HD1 ILE 99 -23.890 4.710 14.543 740 HD12 ILE 99 2HD1 ILE 99 -25.062 4.052 15.686 741 HD13 ILE 99 3HD1 ILE 99 -25.106 5.763 15.264 742 H SER 100 H SER 100 -23.422 1.110 17.216 743 HA SER 100 HA SER 100 -21.947 0.122 19.541 744 HB2 SER 100 1HB SER 100 -23.809 -1.292 19.982 745 HB3 SER 100 2HB SER 100 -24.491 0.261 19.498 746 HG SER 100 HG SER 100 -25.311 -0.638 17.778 747 H GLY 101 H GLY 101 -20.916 0.042 16.751 748 HA2 GLY 101 1HA GLY 101 -19.707 -1.403 15.441 749 HA3 GLY 101 2HA GLY 101 -19.708 -2.489 16.822 750 HA PRO 102 HA PRO 102 -22.339 -4.105 13.216 751 HB2 PRO 102 1HB PRO 102 -20.688 -6.110 12.424 752 HB3 PRO 102 2HB PRO 102 -20.611 -4.478 11.748 753 HG2 PRO 102 1HG PRO 102 -18.909 -5.733 13.867 754 HG3 PRO 102 2HG PRO 102 -18.424 -4.708 12.504 755 HD2 PRO 102 1HD PRO 102 -18.678 -3.755 15.025 756 HD3 PRO 102 2HD PRO 102 -19.018 -2.764 13.592 757 H SER 103 H SER 103 -22.915 -6.543 12.940 758 HA SER 103 HA SER 103 -22.924 -7.812 15.600 759 HB2 SER 103 1HB SER 103 -25.134 -6.834 14.980 760 HB3 SER 103 2HB SER 103 -25.169 -7.894 13.571 761 HG SER 103 HG SER 103 -24.997 -8.761 16.269 762 H SER 104 H SER 104 -23.109 -10.137 15.612 763 HA SER 104 HA SER 104 -21.823 -11.332 13.257 764 HB2 SER 104 1HB SER 104 -20.569 -11.580 15.335 765 HB3 SER 104 2HB SER 104 -21.970 -12.306 16.121 766 HG SER 104 HG SER 104 -20.941 -14.059 15.469 767 H GLY 105 H GLY 105 -24.177 -12.278 15.774 768 HA2 GLY 105 1HA GLY 105 -26.228 -13.326 15.536 769 HA3 GLY 105 2HA GLY 105 -26.032 -13.234 13.792 Start of MODEL 6 1 H1 GLY 1 H GLY 1 13.447 -1.996 -16.438 2 HA2 GLY 1 1HA GLY 1 13.211 -3.429 -14.460 3 HA3 GLY 1 2HA GLY 1 12.482 -4.632 -15.513 4 H SER 2 H SER 2 15.500 -2.872 -14.909 5 HA SER 2 HA SER 2 17.059 -4.739 -16.449 6 HB2 SER 2 1HB SER 2 18.917 -3.372 -15.963 7 HB3 SER 2 2HB SER 2 17.566 -2.242 -16.064 8 HG SER 2 HG SER 2 19.092 -2.131 -14.175 9 H SER 3 H SER 3 18.532 -6.249 -15.674 10 HA SER 3 HA SER 3 18.557 -6.798 -12.802 11 HB2 SER 3 1HB SER 3 17.825 -8.866 -14.889 12 HB3 SER 3 2HB SER 3 18.092 -9.195 -13.177 13 HG SER 3 HG SER 3 16.103 -8.640 -12.860 14 H GLY 4 H GLY 4 20.177 -8.552 -12.275 15 HA2 GLY 4 1HA GLY 4 22.164 -9.745 -12.847 16 HA3 GLY 4 2HA GLY 4 22.353 -8.697 -14.244 17 H SER 5 H SER 5 23.068 -9.173 -10.918 18 HA SER 5 HA SER 5 24.492 -8.133 -9.481 19 HB2 SER 5 1HB SER 5 25.970 -8.217 -11.548 20 HB3 SER 5 2HB SER 5 25.496 -6.545 -11.848 21 HG SER 5 HG SER 5 26.817 -7.549 -9.545 22 H SER 6 H SER 6 21.901 -7.096 -9.728 23 HA SER 6 HA SER 6 22.148 -4.196 -9.736 24 HB2 SER 6 1HB SER 6 19.788 -6.061 -9.458 25 HB3 SER 6 2HB SER 6 19.649 -4.312 -9.280 26 HG SER 6 HG SER 6 20.890 -4.488 -11.472 27 H GLY 7 H GLY 7 20.896 -6.668 -7.482 28 HA2 GLY 7 1HA GLY 7 21.098 -6.800 -5.185 29 HA3 GLY 7 2HA GLY 7 22.193 -5.427 -5.245 30 H LEU 8 H LEU 8 18.736 -6.074 -5.851 31 HA LEU 8 HA LEU 8 18.090 -3.834 -4.071 32 HB2 LEU 8 1HB LEU 8 17.066 -4.259 -6.867 33 HB3 LEU 8 2HB LEU 8 16.253 -3.221 -5.698 34 HG LEU 8 HG LEU 8 19.104 -2.793 -6.571 35 HD11 LEU 8 1HD1 LEU 8 16.574 -1.601 -7.695 36 HD12 LEU 8 2HD1 LEU 8 17.723 -2.637 -8.541 37 HD13 LEU 8 3HD1 LEU 8 18.204 -1.018 -8.031 38 HD21 LEU 8 1HD2 LEU 8 18.940 -0.710 -5.527 39 HD22 LEU 8 2HD2 LEU 8 18.159 -1.817 -4.398 40 HD23 LEU 8 3HD2 LEU 8 17.180 -0.785 -5.443 41 H GLU 9 H GLU 9 16.140 -4.013 -2.969 42 HA GLU 9 HA GLU 9 14.654 -6.523 -3.351 43 HB2 GLU 9 1HB GLU 9 15.933 -5.454 -0.885 44 HB3 GLU 9 2HB GLU 9 14.376 -6.252 -0.714 45 HG2 GLU 9 1HG GLU 9 15.212 -8.289 -1.546 46 HG3 GLU 9 2HG GLU 9 16.688 -7.528 -2.137 47 H ALA 10 H ALA 10 12.466 -6.396 -3.168 48 HA ALA 10 HA ALA 10 11.337 -3.711 -3.012 49 HB1 ALA 10 1HB ALA 10 10.726 -6.064 -4.486 50 HB2 ALA 10 2HB ALA 10 9.323 -5.641 -3.503 51 HB3 ALA 10 3HB ALA 10 10.006 -4.459 -4.619 52 HA PRO 11 HA PRO 11 9.463 -4.097 0.936 53 HB2 PRO 11 1HB PRO 11 6.992 -3.044 0.547 54 HB3 PRO 11 2HB PRO 11 8.462 -2.062 0.569 55 HG2 PRO 11 1HG PRO 11 6.912 -3.100 -1.772 56 HG3 PRO 11 2HG PRO 11 7.628 -1.496 -1.526 57 HD2 PRO 11 1HD PRO 11 8.807 -3.400 -3.049 58 HD3 PRO 11 2HD PRO 11 9.738 -2.209 -2.118 59 H ARG 12 H ARG 12 8.395 -5.581 2.135 60 HA ARG 12 HA ARG 12 6.366 -7.248 0.815 61 HB2 ARG 12 1HB ARG 12 7.304 -9.259 1.749 62 HB3 ARG 12 2HB ARG 12 8.562 -8.422 0.849 63 HG2 ARG 12 1HG ARG 12 9.345 -7.464 3.036 64 HG3 ARG 12 2HG ARG 12 8.221 -8.569 3.830 65 HD2 ARG 12 1HD ARG 12 9.449 -10.336 2.287 66 HD3 ARG 12 2HD ARG 12 10.743 -9.141 2.365 67 HE ARG 12 HE ARG 12 9.806 -10.836 4.504 68 HH11 ARG 12 2HH1 ARG 12 11.548 -7.946 3.651 69 HH12 ARG 12 1HH1 ARG 12 12.451 -7.897 5.130 70 HH21 ARG 12 2HH2 ARG 12 10.987 -10.784 6.454 71 HH22 ARG 12 1HH2 ARG 12 12.131 -9.513 6.723 72 H ASP 13 H ASP 13 5.215 -8.654 2.513 73 HA ASP 13 HA ASP 13 3.886 -8.795 4.355 74 HB2 ASP 13 1HB ASP 13 6.025 -8.737 5.592 75 HB3 ASP 13 2HB ASP 13 5.942 -6.977 5.629 76 H LEU 14 H LEU 14 3.188 -6.951 2.399 77 HA LEU 14 HA LEU 14 2.388 -4.506 3.757 78 HB2 LEU 14 1HB LEU 14 3.160 -4.160 1.558 79 HB3 LEU 14 2HB LEU 14 2.183 -5.483 0.925 80 HG LEU 14 HG LEU 14 0.193 -3.943 1.714 81 HD11 LEU 14 1HD1 LEU 14 0.826 -1.549 1.223 82 HD12 LEU 14 2HD1 LEU 14 2.507 -2.049 1.405 83 HD13 LEU 14 3HD1 LEU 14 1.391 -2.199 2.762 84 HD21 LEU 14 1HD2 LEU 14 -0.162 -3.798 -0.477 85 HD22 LEU 14 2HD2 LEU 14 1.424 -4.537 -0.701 86 HD23 LEU 14 3HD2 LEU 14 1.260 -2.780 -0.711 87 H GLU 15 H GLU 15 0.737 -4.847 5.135 88 HA GLU 15 HA GLU 15 -1.718 -6.017 4.010 89 HB2 GLU 15 1HB GLU 15 -0.373 -7.438 5.747 90 HB3 GLU 15 2HB GLU 15 -1.066 -6.325 6.918 91 HG2 GLU 15 1HG GLU 15 -2.582 -8.047 6.940 92 HG3 GLU 15 2HG GLU 15 -3.316 -6.934 5.787 93 H ALA 16 H ALA 16 -3.563 -4.908 4.376 94 HA ALA 16 HA ALA 16 -3.370 -2.238 5.376 95 HB1 ALA 16 1HB ALA 16 -5.965 -2.428 5.054 96 HB2 ALA 16 2HB ALA 16 -4.887 -2.362 3.660 97 HB3 ALA 16 3HB ALA 16 -5.537 -3.910 4.199 98 H LYS 17 H LYS 17 -3.004 -2.074 7.526 99 HA LYS 17 HA LYS 17 -4.729 -3.586 9.359 100 HB2 LYS 17 1HB LYS 17 -2.239 -1.998 9.999 101 HB3 LYS 17 2HB LYS 17 -3.109 -3.071 11.088 102 HG2 LYS 17 1HG LYS 17 -2.573 -4.785 9.091 103 HG3 LYS 17 2HG LYS 17 -1.195 -3.693 8.937 104 HD2 LYS 17 1HD LYS 17 -0.312 -4.307 10.942 105 HD3 LYS 17 2HD LYS 17 -1.892 -4.605 11.669 106 HE2 LYS 17 1HE LYS 17 -0.652 -6.382 9.576 107 HE3 LYS 17 2HE LYS 17 -0.471 -6.646 11.309 108 HZ1 LYS 17 1HZ LYS 17 -2.954 -6.755 9.702 109 HZ2 LYS 17 2HZ LYS 17 -2.975 -6.657 11.391 110 HZ3 LYS 17 3HZ LYS 17 -2.256 -7.986 10.630 111 H GLU 18 H GLU 18 -5.124 -2.272 11.491 112 HA GLU 18 HA GLU 18 -6.535 -0.697 12.374 113 HB2 GLU 18 1HB GLU 18 -4.711 1.248 10.965 114 HB3 GLU 18 2HB GLU 18 -5.590 1.492 12.468 115 HG2 GLU 18 1HG GLU 18 -4.161 -0.496 13.326 116 HG3 GLU 18 2HG GLU 18 -3.117 -0.097 11.962 117 H VAL 19 H VAL 19 -7.403 -1.694 9.835 118 HA VAL 19 HA VAL 19 -8.240 0.378 8.104 119 HB VAL 19 HB VAL 19 -9.423 -2.374 8.501 120 HG11 VAL 19 1HG1 VAL 19 -9.953 -1.692 5.928 121 HG12 VAL 19 2HG1 VAL 19 -11.095 -1.522 7.263 122 HG13 VAL 19 3HG1 VAL 19 -10.137 -0.137 6.739 123 HG21 VAL 19 1HG2 VAL 19 -8.138 -2.727 6.289 124 HG22 VAL 19 2HG2 VAL 19 -7.221 -1.301 6.774 125 HG23 VAL 19 3HG2 VAL 19 -7.233 -2.734 7.803 126 H THR 20 H THR 20 -9.834 1.806 8.283 127 HA THR 20 HA THR 20 -12.179 1.199 9.906 128 HB THR 20 HB THR 20 -11.895 3.690 10.786 129 HG1 THR 20 1HG THR 20 -9.948 4.415 10.426 130 HG21 THR 20 1HG2 THR 20 -10.280 2.303 12.587 131 HG22 THR 20 2HG2 THR 20 -11.285 1.065 11.834 132 HG23 THR 20 3HG2 THR 20 -12.036 2.445 12.633 133 HA PRO 21 HA PRO 21 -14.366 3.430 6.823 134 HB2 PRO 21 1HB PRO 21 -16.354 4.592 8.262 135 HB3 PRO 21 2HB PRO 21 -16.300 2.858 7.924 136 HG2 PRO 21 1HG PRO 21 -15.484 4.333 10.398 137 HG3 PRO 21 2HG PRO 21 -16.391 2.816 10.248 138 HD2 PRO 21 1HD PRO 21 -13.749 2.882 10.838 139 HD3 PRO 21 2HD PRO 21 -14.486 1.565 9.902 140 H ARG 22 H ARG 22 -12.675 5.032 9.256 141 HA ARG 22 HA ARG 22 -13.192 7.655 8.018 142 HB2 ARG 22 1HB ARG 22 -12.341 6.938 10.822 143 HB3 ARG 22 2HB ARG 22 -12.245 8.574 10.185 144 HG2 ARG 22 1HG ARG 22 -14.731 8.346 9.678 145 HG3 ARG 22 2HG ARG 22 -14.686 6.915 10.711 146 HD2 ARG 22 1HD ARG 22 -13.651 8.392 12.484 147 HD3 ARG 22 2HD ARG 22 -14.065 9.763 11.456 148 HE ARG 22 HE ARG 22 -16.410 8.424 11.710 149 HH11 ARG 22 2HH1 ARG 22 -14.079 9.665 13.978 150 HH12 ARG 22 1HH1 ARG 22 -15.251 9.964 15.219 151 HH21 ARG 22 2HH2 ARG 22 -17.963 8.812 13.336 152 HH22 ARG 22 1HH2 ARG 22 -17.459 9.477 14.853 153 H THR 23 H THR 23 -10.848 5.239 8.711 154 HA THR 23 HA THR 23 -8.881 6.582 7.105 155 HB THR 23 HB THR 23 -7.087 6.460 8.868 156 HG1 THR 23 1HG THR 23 -9.107 6.595 10.815 157 HG21 THR 23 1HG2 THR 23 -8.477 8.540 8.162 158 HG22 THR 23 2HG2 THR 23 -7.473 8.628 9.609 159 HG23 THR 23 3HG2 THR 23 -9.212 8.376 9.756 160 H ALA 24 H ALA 24 -6.696 5.224 7.340 161 HA ALA 24 HA ALA 24 -7.093 2.431 7.908 162 HB1 ALA 24 1HB ALA 24 -8.176 2.767 5.665 163 HB2 ALA 24 2HB ALA 24 -6.578 3.168 5.035 164 HB3 ALA 24 3HB ALA 24 -6.884 1.566 5.706 165 H LEU 25 H LEU 25 -5.188 1.387 8.246 166 HA LEU 25 HA LEU 25 -2.736 2.939 7.744 167 HB2 LEU 25 1HB LEU 25 -3.414 2.513 10.131 168 HB3 LEU 25 2HB LEU 25 -3.124 0.801 9.828 169 HG LEU 25 HG LEU 25 -1.252 1.824 11.003 170 HD11 LEU 25 1HD1 LEU 25 -1.101 0.140 8.899 171 HD12 LEU 25 2HD1 LEU 25 0.282 0.624 9.880 172 HD13 LEU 25 3HD1 LEU 25 -0.042 1.440 8.350 173 HD21 LEU 25 1HD2 LEU 25 -1.625 4.110 10.019 174 HD22 LEU 25 2HD2 LEU 25 -0.818 3.532 8.562 175 HD23 LEU 25 3HD2 LEU 25 0.056 3.582 10.094 176 H LEU 26 H LEU 26 -1.029 1.994 6.730 177 HA LEU 26 HA LEU 26 -1.353 -0.814 5.898 178 HB2 LEU 26 1HB LEU 26 -0.724 1.619 4.324 179 HB3 LEU 26 2HB LEU 26 0.119 0.133 3.890 180 HG LEU 26 HG LEU 26 -2.853 0.080 4.129 181 HD11 LEU 26 1HD1 LEU 26 -2.257 0.585 1.437 182 HD12 LEU 26 2HD1 LEU 26 -1.428 1.835 2.364 183 HD13 LEU 26 3HD1 LEU 26 -3.167 1.606 2.552 184 HD21 LEU 26 1HD2 LEU 26 -1.284 -1.211 1.965 185 HD22 LEU 26 2HD2 LEU 26 -2.701 -1.792 2.841 186 HD23 LEU 26 3HD2 LEU 26 -1.109 -1.847 3.601 187 H THR 27 H THR 27 0.075 -1.871 7.141 188 HA THR 27 HA THR 27 2.711 -0.719 7.638 189 HB THR 27 HB THR 27 3.008 -2.762 9.103 190 HG1 THR 27 1HG THR 27 1.522 -4.211 8.458 191 HG21 THR 27 1HG2 THR 27 2.043 -1.704 10.893 192 HG22 THR 27 2HG2 THR 27 0.553 -1.348 10.019 193 HG23 THR 27 3HG2 THR 27 2.003 -0.393 9.715 194 H TRP 28 H TRP 28 4.508 -1.347 6.622 195 HA TRP 28 HA TRP 28 4.592 -3.946 5.290 196 HB2 TRP 28 1HB TRP 28 5.221 -3.087 3.171 197 HB3 TRP 28 2HB TRP 28 3.810 -2.153 3.661 198 HD1 TRP 28 HD TRP 28 7.649 -1.811 3.421 199 HE1 TRP 28 1HE TRP 28 8.218 0.688 3.189 200 HE3 TRP 28 3HE TRP 28 2.964 0.147 4.016 201 HZ2 TRP 28 2HZ TRP 28 6.861 3.162 3.251 202 HZ3 TRP 28 3HZ TRP 28 2.685 2.589 3.917 203 HH2 TRP 28 HH TRP 28 4.595 4.064 3.543 204 H THR 29 H THR 29 6.754 -4.625 4.722 205 HA THR 29 HA THR 29 8.714 -3.605 6.618 206 HB THR 29 HB THR 29 8.731 -6.046 4.837 207 HG1 THR 29 1HG THR 29 7.451 -5.784 6.953 208 HG21 THR 29 1HG2 THR 29 10.904 -4.699 6.240 209 HG22 THR 29 2HG2 THR 29 10.963 -5.978 5.027 210 HG23 THR 29 3HG2 THR 29 10.711 -6.384 6.724 211 H GLU 30 H GLU 30 10.396 -2.365 6.087 212 HA GLU 30 HA GLU 30 10.718 -1.518 3.345 213 HB2 GLU 30 1HB GLU 30 11.760 -0.643 5.993 214 HB3 GLU 30 2HB GLU 30 12.704 -0.230 4.569 215 HG2 GLU 30 1HG GLU 30 10.880 0.981 3.622 216 HG3 GLU 30 2HG GLU 30 9.785 0.418 4.883 217 HA PRO 31 HA PRO 31 13.931 -4.347 2.294 218 HB2 PRO 31 1HB PRO 31 14.978 -2.991 0.187 219 HB3 PRO 31 2HB PRO 31 13.435 -3.850 0.106 220 HG2 PRO 31 1HG PRO 31 13.958 -0.931 0.512 221 HG3 PRO 31 2HG PRO 31 12.745 -1.718 -0.513 222 HD2 PRO 31 1HD PRO 31 12.147 -0.676 1.914 223 HD3 PRO 31 2HD PRO 31 11.315 -2.099 1.254 224 HA PRO 32 HA PRO 32 17.681 -2.971 4.140 225 HB2 PRO 32 1HB PRO 32 19.504 -4.467 2.795 226 HB3 PRO 32 2HB PRO 32 18.406 -5.147 4.002 227 HG2 PRO 32 1HG PRO 32 18.186 -5.168 1.017 228 HG3 PRO 32 2HG PRO 32 17.869 -6.476 2.172 229 HD2 PRO 32 1HD PRO 32 15.889 -4.999 1.063 230 HD3 PRO 32 2HD PRO 32 15.776 -5.669 2.703 231 H VAL 33 H VAL 33 16.803 -2.095 1.092 232 HA VAL 33 HA VAL 33 19.285 -0.562 0.658 233 HB VAL 33 HB VAL 33 17.281 -1.417 -1.436 234 HG11 VAL 33 1HG1 VAL 33 18.839 0.759 -1.565 235 HG12 VAL 33 2HG1 VAL 33 19.979 -0.451 -2.158 236 HG13 VAL 33 3HG1 VAL 33 18.432 -0.220 -2.974 237 HG21 VAL 33 1HG2 VAL 33 19.985 -2.506 -0.688 238 HG22 VAL 33 2HG2 VAL 33 18.446 -3.364 -0.752 239 HG23 VAL 33 3HG2 VAL 33 19.217 -2.825 -2.243 240 H ARG 34 H ARG 34 18.389 1.050 2.112 241 HA ARG 34 HA ARG 34 16.052 2.375 2.069 242 HB2 ARG 34 1HB ARG 34 18.356 2.883 3.276 243 HB3 ARG 34 2HB ARG 34 18.493 4.091 2.005 244 HG2 ARG 34 1HG ARG 34 17.489 5.328 3.632 245 HG3 ARG 34 2HG ARG 34 16.064 4.717 2.789 246 HD2 ARG 34 1HD ARG 34 15.819 2.946 4.426 247 HD3 ARG 34 2HD ARG 34 17.299 3.460 5.237 248 HE ARG 34 HE ARG 34 15.378 5.562 5.086 249 HH11 ARG 34 2HH1 ARG 34 16.247 2.680 6.835 250 HH12 ARG 34 1HH1 ARG 34 15.467 3.177 8.300 251 HH21 ARG 34 2HH2 ARG 34 14.347 6.228 7.009 252 HH22 ARG 34 1HH2 ARG 34 14.386 5.195 8.398 253 HA PRO 35 HA PRO 35 15.933 3.513 -2.314 254 HB2 PRO 35 1HB PRO 35 13.250 3.926 -2.348 255 HB3 PRO 35 2HB PRO 35 13.977 2.320 -2.478 256 HG2 PRO 35 1HG PRO 35 12.795 3.676 -0.085 257 HG3 PRO 35 2HG PRO 35 12.609 1.997 -0.626 258 HD2 PRO 35 1HD PRO 35 14.307 2.708 1.361 259 HD3 PRO 35 2HD PRO 35 14.637 1.354 0.261 260 H ALA 36 H ALA 36 15.231 5.462 -3.434 261 HA ALA 36 HA ALA 36 15.901 7.819 -2.062 262 HB1 ALA 36 1HB ALA 36 15.976 8.701 -4.107 263 HB2 ALA 36 2HB ALA 36 15.567 7.092 -4.703 264 HB3 ALA 36 3HB ALA 36 14.295 8.283 -4.436 265 H GLY 37 H GLY 37 12.734 6.646 -3.207 266 HA2 GLY 37 1HA GLY 37 11.431 7.957 -0.976 267 HA3 GLY 37 2HA GLY 37 11.048 8.641 -2.549 268 H TYR 38 H TYR 38 8.893 7.853 -1.464 269 HA TYR 38 HA TYR 38 8.331 5.189 -2.585 270 HB2 TYR 38 1HB TYR 38 7.586 6.328 0.080 271 HB3 TYR 38 2HB TYR 38 6.494 5.189 -0.700 272 HD1 TYR 38 2HD TYR 38 8.012 3.125 -1.809 273 HD2 TYR 38 1HD TYR 38 8.876 5.351 1.712 274 HE1 TYR 38 2HE TYR 38 9.358 1.249 -0.960 275 HE2 TYR 38 1HE TYR 38 10.225 3.483 2.571 276 HH TYR 38 HH TYR 38 10.062 0.600 1.820 277 H LEU 39 H LEU 39 6.277 4.894 -3.506 278 HA LEU 39 HA LEU 39 4.686 7.337 -3.893 279 HB2 LEU 39 1HB LEU 39 5.983 7.063 -5.888 280 HB3 LEU 39 2HB LEU 39 5.557 5.356 -5.987 281 HG LEU 39 HG LEU 39 3.110 6.350 -6.184 282 HD11 LEU 39 1HD1 LEU 39 3.025 8.427 -7.367 283 HD12 LEU 39 2HD1 LEU 39 4.785 8.534 -7.406 284 HD13 LEU 39 3HD1 LEU 39 3.927 8.680 -5.873 285 HD21 LEU 39 1HD2 LEU 39 4.129 6.706 -8.776 286 HD22 LEU 39 2HD2 LEU 39 3.386 5.258 -8.096 287 HD23 LEU 39 3HD2 LEU 39 5.135 5.474 -8.014 288 H LEU 40 H LEU 40 3.081 6.699 -2.486 289 HA LEU 40 HA LEU 40 1.814 4.103 -2.858 290 HB2 LEU 40 1HB LEU 40 2.246 4.893 -0.590 291 HB3 LEU 40 2HB LEU 40 1.254 6.319 -0.891 292 HG LEU 40 HG LEU 40 -0.614 4.525 -1.352 293 HD11 LEU 40 1HD1 LEU 40 1.456 3.036 0.223 294 HD12 LEU 40 2HD1 LEU 40 0.552 2.512 -1.198 295 HD13 LEU 40 3HD1 LEU 40 -0.260 2.654 0.361 296 HD21 LEU 40 1HD2 LEU 40 0.390 5.746 1.149 297 HD22 LEU 40 2HD2 LEU 40 -0.829 4.481 1.310 298 HD23 LEU 40 3HD2 LEU 40 -1.170 5.919 0.346 299 H SER 41 H SER 41 0.507 4.037 -4.585 300 HA SER 41 HA SER 41 -1.306 6.296 -5.070 301 HB2 SER 41 1HB SER 41 0.176 5.505 -6.940 302 HB3 SER 41 2HB SER 41 -0.702 3.976 -6.917 303 HG SER 41 HG SER 41 -2.364 4.904 -7.845 304 H PHE 42 H PHE 42 -3.298 6.108 -4.316 305 HA PHE 42 HA PHE 42 -4.502 3.422 -4.171 306 HB2 PHE 42 1HB PHE 42 -5.563 3.955 -2.151 307 HB3 PHE 42 2HB PHE 42 -3.957 4.653 -1.968 308 HD1 PHE 42 2HD PHE 42 -3.672 7.131 -2.427 309 HD2 PHE 42 1HD PHE 42 -7.472 5.275 -1.948 310 HE1 PHE 42 2HE PHE 42 -4.679 9.324 -1.950 311 HE2 PHE 42 1HE PHE 42 -8.486 7.465 -1.471 312 HZ PHE 42 HZ PHE 42 -7.089 9.494 -1.470 313 H HIS 43 H HIS 43 -6.172 3.142 -5.480 314 HA HIS 43 HA HIS 43 -7.773 5.495 -6.245 315 HB2 HIS 43 1HB HIS 43 -7.872 4.809 -8.453 316 HB3 HIS 43 2HB HIS 43 -6.241 4.309 -8.016 317 HD1 HIS 43 1HD HIS 43 -6.107 1.672 -7.226 318 HD2 HIS 43 2HD HIS 43 -9.355 2.827 -9.544 319 HE1 HIS 43 1HE HIS 43 -7.042 -0.458 -8.182 320 HE2 HIS 43 2HE HIS 43 -8.954 0.274 -9.649 321 H THR 44 H THR 44 -10.014 5.026 -6.831 322 HA THR 44 HA THR 44 -11.128 3.004 -5.045 323 HB THR 44 HB THR 44 -13.072 4.223 -4.969 324 HG1 THR 44 1HG THR 44 -14.011 4.917 -6.739 325 HG21 THR 44 1HG2 THR 44 -11.419 6.530 -5.913 326 HG22 THR 44 2HG2 THR 44 -10.935 5.644 -4.466 327 HG23 THR 44 3HG2 THR 44 -12.515 6.425 -4.536 328 HA PRO 45 HA PRO 45 -12.298 0.182 -8.201 329 HB2 PRO 45 1HB PRO 45 -14.600 -0.820 -7.168 330 HB3 PRO 45 2HB PRO 45 -13.004 -1.214 -6.519 331 HG2 PRO 45 1HG PRO 45 -15.012 0.775 -5.531 332 HG3 PRO 45 2HG PRO 45 -14.022 -0.369 -4.606 333 HD2 PRO 45 1HD PRO 45 -13.386 2.253 -4.836 334 HD3 PRO 45 2HD PRO 45 -12.156 0.981 -4.692 335 H GLY 46 H GLY 46 -13.854 3.049 -7.741 336 HA2 GLY 46 1HA GLY 46 -15.300 2.785 -10.235 337 HA3 GLY 46 2HA GLY 46 -16.321 3.043 -8.828 338 H GLY 47 H GLY 47 -13.118 4.410 -9.483 339 HA2 GLY 47 1HA GLY 47 -14.197 6.983 -10.202 340 HA3 GLY 47 2HA GLY 47 -13.544 6.935 -8.571 341 H GLN 48 H GLN 48 -12.169 8.655 -9.629 342 HA GLN 48 HA GLN 48 -10.142 7.781 -11.465 343 HB2 GLN 48 1HB GLN 48 -11.157 10.187 -11.003 344 HB3 GLN 48 2HB GLN 48 -9.828 10.272 -9.855 345 HG2 GLN 48 1HG GLN 48 -8.446 9.430 -11.944 346 HG3 GLN 48 2HG GLN 48 -9.778 10.187 -12.817 347 HE21 GLN 48 1HE2 GLN 48 -7.173 11.092 -13.012 348 HE22 GLN 48 2HE2 GLN 48 -7.063 12.658 -12.290 349 H THR 49 H THR 49 -7.837 7.866 -11.005 350 HA THR 49 HA THR 49 -7.265 6.714 -8.380 351 HB THR 49 HB THR 49 -5.640 6.800 -10.926 352 HG1 THR 49 1HG THR 49 -7.196 5.223 -11.033 353 HG21 THR 49 1HG2 THR 49 -4.380 5.000 -9.324 354 HG22 THR 49 2HG2 THR 49 -4.849 6.231 -8.152 355 HG23 THR 49 3HG2 THR 49 -3.862 6.670 -9.546 356 H GLN 50 H GLN 50 -5.777 7.546 -6.956 357 HA GLN 50 HA GLN 50 -4.694 10.207 -7.610 358 HB2 GLN 50 1HB GLN 50 -6.564 10.275 -5.967 359 HB3 GLN 50 2HB GLN 50 -5.615 9.256 -4.893 360 HG2 GLN 50 1HG GLN 50 -5.575 11.698 -4.367 361 HG3 GLN 50 2HG GLN 50 -3.994 10.945 -4.569 362 HE21 GLN 50 1HE2 GLN 50 -6.297 13.179 -5.873 363 HE22 GLN 50 2HE2 GLN 50 -5.255 13.885 -7.056 364 H GLU 51 H GLU 51 -2.600 10.637 -7.065 365 HA GLU 51 HA GLU 51 -1.061 8.374 -5.976 366 HB2 GLU 51 1HB GLU 51 -0.091 10.597 -7.781 367 HB3 GLU 51 2HB GLU 51 0.857 9.227 -7.221 368 HG2 GLU 51 1HG GLU 51 0.293 8.493 -9.295 369 HG3 GLU 51 2HG GLU 51 -1.061 7.847 -8.370 370 H ILE 52 H ILE 52 0.025 8.649 -4.134 371 HA ILE 52 HA ILE 52 0.317 11.394 -3.099 372 HB ILE 52 HB ILE 52 -0.050 8.848 -1.515 373 HG12 ILE 52 1HG1 ILE 52 -1.915 11.214 -1.695 374 HG13 ILE 52 2HG1 ILE 52 -2.069 9.803 -2.736 375 HG21 ILE 52 1HG2 ILE 52 0.203 11.705 -0.585 376 HG22 ILE 52 2HG2 ILE 52 -0.146 10.314 0.440 377 HG23 ILE 52 3HG2 ILE 52 1.410 10.436 -0.380 378 HD11 ILE 52 1HD1 ILE 52 -2.931 8.530 -1.099 379 HD12 ILE 52 2HD1 ILE 52 -1.912 9.252 0.148 380 HD13 ILE 52 3HD1 ILE 52 -3.360 10.094 -0.406 381 H LEU 53 H LEU 53 2.262 12.023 -2.275 382 HA LEU 53 HA LEU 53 4.521 10.258 -2.828 383 HB2 LEU 53 1HB LEU 53 4.143 13.185 -2.515 384 HB3 LEU 53 2HB LEU 53 5.718 12.514 -2.096 385 HG LEU 53 HG LEU 53 5.760 13.353 -4.356 386 HD11 LEU 53 1HD1 LEU 53 6.784 11.045 -3.624 387 HD12 LEU 53 2HD1 LEU 53 6.843 11.577 -5.304 388 HD13 LEU 53 3HD1 LEU 53 5.621 10.413 -4.790 389 HD21 LEU 53 1HD2 LEU 53 4.242 11.802 -5.953 390 HD22 LEU 53 2HD2 LEU 53 3.734 13.378 -5.347 391 HD23 LEU 53 3HD2 LEU 53 3.198 11.907 -4.535 392 H LEU 54 H LEU 54 5.186 8.993 -1.228 393 HA LEU 54 HA LEU 54 4.849 9.870 1.544 394 HB2 LEU 54 1HB LEU 54 5.539 7.190 0.354 395 HB3 LEU 54 2HB LEU 54 5.456 7.513 2.085 396 HG LEU 54 HG LEU 54 3.267 7.194 0.099 397 HD11 LEU 54 1HD1 LEU 54 2.517 6.460 2.693 398 HD12 LEU 54 2HD1 LEU 54 4.197 5.955 2.515 399 HD13 LEU 54 3HD1 LEU 54 2.983 5.397 1.365 400 HD21 LEU 54 1HD2 LEU 54 2.942 9.476 0.933 401 HD22 LEU 54 2HD2 LEU 54 3.008 8.876 2.590 402 HD23 LEU 54 3HD2 LEU 54 1.693 8.380 1.524 403 HA PRO 55 HA PRO 55 9.114 10.833 2.037 404 HB2 PRO 55 1HB PRO 55 9.338 10.475 4.719 405 HB3 PRO 55 2HB PRO 55 8.503 11.857 4.001 406 HG2 PRO 55 1HG PRO 55 7.360 9.327 5.119 407 HG3 PRO 55 2HG PRO 55 6.796 10.995 5.323 408 HD2 PRO 55 1HD PRO 55 5.650 9.273 3.576 409 HD3 PRO 55 2HD PRO 55 5.737 11.021 3.276 410 H GLY 56 H GLY 56 10.289 9.240 1.013 411 HA2 GLY 56 1HA GLY 56 10.471 6.566 1.521 412 HA3 GLY 56 2HA GLY 56 11.830 7.526 0.957 413 H GLY 57 H GLY 57 10.438 5.829 3.600 414 HA2 GLY 57 1HA GLY 57 12.508 5.132 5.049 415 HA3 GLY 57 2HA GLY 57 12.458 6.838 5.468 416 H ILE 58 H ILE 58 9.661 4.771 4.901 417 HA ILE 58 HA ILE 58 9.081 4.779 7.777 418 HB ILE 58 HB ILE 58 6.938 5.643 7.575 419 HG12 ILE 58 1HG1 ILE 58 7.131 5.211 4.586 420 HG13 ILE 58 2HG1 ILE 58 6.202 4.230 5.714 421 HG21 ILE 58 1HG2 ILE 58 7.869 7.344 5.379 422 HG22 ILE 58 2HG2 ILE 58 7.403 7.767 7.025 423 HG23 ILE 58 3HG2 ILE 58 9.024 7.154 6.698 424 HD11 ILE 58 1HD1 ILE 58 4.853 5.850 4.409 425 HD12 ILE 58 2HD1 ILE 58 4.711 6.041 6.157 426 HD13 ILE 58 3HD1 ILE 58 5.712 7.156 5.226 427 H THR 59 H THR 59 7.411 3.225 8.394 428 HA THR 59 HA THR 59 7.392 0.907 6.576 429 HB THR 59 HB THR 59 6.889 -0.396 8.725 430 HG1 THR 59 1HG THR 59 8.027 1.917 9.934 431 HG21 THR 59 1HG2 THR 59 9.597 0.795 8.974 432 HG22 THR 59 2HG2 THR 59 9.183 0.038 7.435 433 HG23 THR 59 3HG2 THR 59 9.104 -0.898 8.928 434 H SER 60 H SER 60 5.450 3.262 8.034 435 HA SER 60 HA SER 60 3.055 2.007 7.000 436 HB2 SER 60 1HB SER 60 1.804 2.094 9.075 437 HB3 SER 60 2HB SER 60 3.251 1.116 9.322 438 HG SER 60 HG SER 60 2.494 3.205 10.711 439 H HIS 61 H HIS 61 1.429 3.464 6.530 440 HA HIS 61 HA HIS 61 1.915 6.279 7.219 441 HB2 HIS 61 1HB HIS 61 2.674 5.605 4.849 442 HB3 HIS 61 2HB HIS 61 0.957 5.472 4.481 443 HD1 HIS 61 1HD HIS 61 0.127 7.509 3.380 444 HD2 HIS 61 2HD HIS 61 3.104 8.371 6.147 445 HE1 HIS 61 1HE HIS 61 0.414 10.007 3.304 446 HE2 HIS 61 2HE HIS 61 2.279 10.495 4.924 447 H GLN 62 H GLN 62 0.138 7.420 7.768 448 HA GLN 62 HA GLN 62 -2.347 5.968 8.049 449 HB2 GLN 62 1HB GLN 62 -1.595 7.348 9.899 450 HB3 GLN 62 2HB GLN 62 -1.554 8.769 8.863 451 HG2 GLN 62 1HG GLN 62 -3.514 8.932 10.160 452 HG3 GLN 62 2HG GLN 62 -4.024 8.476 8.535 453 HE21 GLN 62 1HE2 GLN 62 -4.308 6.105 8.188 454 HE22 GLN 62 2HE2 GLN 62 -5.026 5.195 9.468 455 H LEU 63 H LEU 63 -3.715 5.855 6.402 456 HA LEU 63 HA LEU 63 -3.755 7.915 4.359 457 HB2 LEU 63 1HB LEU 63 -4.962 5.202 4.665 458 HB3 LEU 63 2HB LEU 63 -5.627 6.319 3.475 459 HG LEU 63 HG LEU 63 -2.800 5.267 3.555 460 HD11 LEU 63 1HD1 LEU 63 -4.426 4.783 1.191 461 HD12 LEU 63 2HD1 LEU 63 -5.075 4.025 2.645 462 HD13 LEU 63 3HD1 LEU 63 -3.426 3.673 2.128 463 HD21 LEU 63 1HD2 LEU 63 -2.278 7.089 2.389 464 HD22 LEU 63 2HD2 LEU 63 -3.967 7.580 2.261 465 HD23 LEU 63 3HD2 LEU 63 -3.288 6.446 1.094 466 H LEU 64 H LEU 64 -5.536 9.178 3.819 467 HA LEU 64 HA LEU 64 -7.758 9.195 5.746 468 HB2 LEU 64 1HB LEU 64 -6.495 11.681 4.617 469 HB3 LEU 64 2HB LEU 64 -7.731 11.575 5.868 470 HG LEU 64 HG LEU 64 -4.901 10.588 6.199 471 HD11 LEU 64 1HD1 LEU 64 -4.775 12.949 5.912 472 HD12 LEU 64 2HD1 LEU 64 -4.652 12.617 7.639 473 HD13 LEU 64 3HD1 LEU 64 -6.168 13.211 6.962 474 HD21 LEU 64 1HD2 LEU 64 -6.496 9.487 7.655 475 HD22 LEU 64 2HD2 LEU 64 -7.145 11.047 8.163 476 HD23 LEU 64 3HD2 LEU 64 -5.492 10.598 8.586 477 H GLY 65 H GLY 65 -9.655 10.478 4.921 478 HA2 GLY 65 1HA GLY 65 -11.221 10.945 3.301 479 HA3 GLY 65 2HA GLY 65 -9.904 11.016 2.138 480 H LEU 66 H LEU 66 -11.501 8.511 4.117 481 HA LEU 66 HA LEU 66 -11.577 6.820 1.705 482 HB2 LEU 66 1HB LEU 66 -11.565 5.879 4.565 483 HB3 LEU 66 2HB LEU 66 -11.430 4.886 3.115 484 HG LEU 66 HG LEU 66 -9.361 6.867 4.066 485 HD11 LEU 66 1HD1 LEU 66 -9.887 4.540 5.281 486 HD12 LEU 66 2HD1 LEU 66 -8.260 5.202 5.123 487 HD13 LEU 66 3HD1 LEU 66 -8.821 3.964 3.999 488 HD21 LEU 66 1HD2 LEU 66 -9.588 6.370 1.567 489 HD22 LEU 66 2HD2 LEU 66 -9.027 4.747 1.968 490 HD23 LEU 66 3HD2 LEU 66 -8.002 6.143 2.305 491 H PHE 67 H PHE 67 -13.415 5.441 1.436 492 HA PHE 67 HA PHE 67 -15.851 6.638 2.525 493 HB2 PHE 67 1HB PHE 67 -15.399 4.768 0.193 494 HB3 PHE 67 2HB PHE 67 -16.986 5.315 0.721 495 HD1 PHE 67 2HD PHE 67 -16.446 8.142 1.338 496 HD2 PHE 67 1HD PHE 67 -15.124 5.719 -1.902 497 HE1 PHE 67 2HE PHE 67 -16.220 10.149 -0.066 498 HE2 PHE 67 1HE PHE 67 -14.895 7.722 -3.311 499 HZ PHE 67 HZ PHE 67 -15.444 9.941 -2.394 500 HA PRO 68 HA PRO 68 -16.741 3.262 5.191 501 HB2 PRO 68 1HB PRO 68 -19.455 3.337 5.183 502 HB3 PRO 68 2HB PRO 68 -18.463 4.541 6.014 503 HG2 PRO 68 1HG PRO 68 -19.795 4.705 3.338 504 HG3 PRO 68 2HG PRO 68 -19.700 5.929 4.618 505 HD2 PRO 68 1HD PRO 68 -18.098 5.976 2.435 506 HD3 PRO 68 2HD PRO 68 -17.567 6.568 4.023 507 H SER 69 H SER 69 -16.440 1.202 4.637 508 HA SER 69 HA SER 69 -16.765 -0.862 3.734 509 HB2 SER 69 1HB SER 69 -19.150 -0.460 4.366 510 HB3 SER 69 2HB SER 69 -19.422 0.214 2.759 511 HG SER 69 HG SER 69 -19.992 -1.921 2.666 512 H THR 70 H THR 70 -15.391 1.162 2.275 513 HA THR 70 HA THR 70 -16.000 0.363 -0.497 514 HB THR 70 HB THR 70 -14.682 2.912 0.459 515 HG1 THR 70 1HG THR 70 -17.173 2.523 -0.872 516 HG21 THR 70 1HG2 THR 70 -14.403 1.580 -2.000 517 HG22 THR 70 2HG2 THR 70 -13.917 3.230 -1.610 518 HG23 THR 70 3HG2 THR 70 -15.513 2.918 -2.293 519 H SER 71 H SER 71 -14.595 -1.079 -1.231 520 HA SER 71 HA SER 71 -12.105 -1.626 -0.009 521 HB2 SER 71 1HB SER 71 -13.483 -3.257 -1.350 522 HB3 SER 71 2HB SER 71 -12.949 -2.415 -2.805 523 HG SER 71 HG SER 71 -11.424 -3.902 -2.626 524 H TYR 72 H TYR 72 -10.046 -1.046 -0.523 525 HA TYR 72 HA TYR 72 -9.693 0.848 -2.749 526 HB2 TYR 72 1HB TYR 72 -8.865 1.107 0.115 527 HB3 TYR 72 2HB TYR 72 -7.865 1.839 -1.136 528 HD1 TYR 72 1HD TYR 72 -11.094 1.954 0.586 529 HD2 TYR 72 2HD TYR 72 -8.675 3.729 -2.430 530 HE1 TYR 72 1HE TYR 72 -12.590 3.906 0.544 531 HE2 TYR 72 2HE TYR 72 -10.164 5.687 -2.480 532 HH TYR 72 HH TYR 72 -12.586 6.215 -0.104 533 H ASN 73 H ASN 73 -7.732 0.767 -3.840 534 HA ASN 73 HA ASN 73 -6.093 -1.609 -3.255 535 HB2 ASN 73 1HB ASN 73 -7.441 -1.337 -5.489 536 HB3 ASN 73 2HB ASN 73 -6.111 -0.273 -5.938 537 HD21 ASN 73 1HD2 ASN 73 -4.211 -1.131 -6.550 538 HD22 ASN 73 2HD2 ASN 73 -3.882 -2.826 -6.616 539 H ALA 74 H ALA 74 -4.333 -0.980 -2.174 540 HA ALA 74 HA ALA 74 -3.031 1.547 -2.866 541 HB1 ALA 74 1HB ALA 74 -1.718 1.186 -0.812 542 HB2 ALA 74 2HB ALA 74 -3.456 1.190 -0.513 543 HB3 ALA 74 3HB ALA 74 -2.573 -0.336 -0.556 544 H ARG 75 H ARG 75 -0.844 1.682 -3.428 545 HA ARG 75 HA ARG 75 0.530 -0.830 -4.052 546 HB2 ARG 75 1HB ARG 75 -0.601 -0.085 -6.112 547 HB3 ARG 75 2HB ARG 75 0.220 1.465 -5.995 548 HG2 ARG 75 1HG ARG 75 2.365 0.394 -6.310 549 HG3 ARG 75 2HG ARG 75 1.594 -1.193 -6.325 550 HD2 ARG 75 1HD ARG 75 0.638 0.856 -8.255 551 HD3 ARG 75 2HD ARG 75 2.196 0.090 -8.560 552 HE ARG 75 HE ARG 75 0.435 -1.962 -8.034 553 HH11 ARG 75 2HH1 ARG 75 0.713 0.607 -10.367 554 HH12 ARG 75 1HH1 ARG 75 -0.092 -0.272 -11.625 555 HH21 ARG 75 2HH2 ARG 75 -0.626 -3.130 -9.682 556 HH22 ARG 75 1HH2 ARG 75 -0.854 -2.397 -11.234 557 H LEU 76 H LEU 76 2.326 -0.731 -2.874 558 HA LEU 76 HA LEU 76 3.611 1.833 -2.365 559 HB2 LEU 76 1HB LEU 76 3.224 0.178 -0.547 560 HB3 LEU 76 2HB LEU 76 4.357 -0.906 -1.353 561 HG LEU 76 HG LEU 76 6.078 0.959 -1.070 562 HD11 LEU 76 1HD1 LEU 76 4.589 1.935 1.266 563 HD12 LEU 76 2HD1 LEU 76 3.961 2.457 -0.297 564 HD13 LEU 76 3HD1 LEU 76 5.635 2.799 0.138 565 HD21 LEU 76 1HD2 LEU 76 4.958 -0.416 1.371 566 HD22 LEU 76 2HD2 LEU 76 6.576 0.273 1.226 567 HD23 LEU 76 3HD2 LEU 76 6.110 -1.104 0.226 568 H GLN 77 H GLN 77 4.882 2.520 -3.971 569 HA GLN 77 HA GLN 77 6.842 0.618 -5.074 570 HB2 GLN 77 1HB GLN 77 4.889 1.587 -6.579 571 HB3 GLN 77 2HB GLN 77 5.965 2.974 -6.681 572 HG2 GLN 77 1HG GLN 77 7.754 1.469 -7.490 573 HG3 GLN 77 2HG GLN 77 6.591 0.145 -7.491 574 HE21 GLN 77 1HE2 GLN 77 7.177 0.026 -9.769 575 HE22 GLN 77 2HE2 GLN 77 6.361 1.049 -10.897 576 H ALA 78 H ALA 78 8.901 1.161 -4.782 577 HA ALA 78 HA ALA 78 9.507 3.853 -3.797 578 HB1 ALA 78 1HB ALA 78 11.804 2.236 -3.652 579 HB2 ALA 78 2HB ALA 78 10.765 2.766 -2.329 580 HB3 ALA 78 3HB ALA 78 10.447 1.233 -3.139 581 H MET 79 H MET 79 10.955 5.201 -4.784 582 HA MET 79 HA MET 79 11.527 4.642 -7.567 583 HB2 MET 79 1HB MET 79 12.239 7.100 -5.961 584 HB3 MET 79 2HB MET 79 12.204 6.955 -7.713 585 HG2 MET 79 1HG MET 79 9.772 6.568 -7.601 586 HG3 MET 79 2HG MET 79 9.840 6.816 -5.858 587 HE1 MET 79 1HE MET 79 8.735 9.723 -5.321 588 HE2 MET 79 2HE MET 79 9.925 8.581 -4.696 589 HE3 MET 79 3HE MET 79 10.416 10.221 -5.124 590 H TRP 80 H TRP 80 13.342 3.720 -8.230 591 HA TRP 80 HA TRP 80 15.756 4.008 -6.562 592 HB2 TRP 80 1HB TRP 80 14.619 1.654 -8.011 593 HB3 TRP 80 2HB TRP 80 16.369 1.787 -7.859 594 HD1 TRP 80 HD TRP 80 17.379 1.721 -5.333 595 HE1 TRP 80 1HE TRP 80 16.455 0.636 -3.190 596 HE3 TRP 80 3HE TRP 80 12.513 1.102 -6.772 597 HZ2 TRP 80 2HZ TRP 80 13.989 -0.352 -2.236 598 HZ3 TRP 80 3HZ TRP 80 10.935 0.079 -5.185 599 HH2 TRP 80 HH TRP 80 11.660 -0.633 -2.965 600 H GLY 81 H GLY 81 17.807 3.990 -7.709 601 HA2 GLY 81 1HA GLY 81 18.138 5.854 -9.631 602 HA3 GLY 81 2HA GLY 81 19.211 4.469 -9.486 603 H GLN 82 H GLN 82 17.172 6.117 -11.529 604 HA GLN 82 HA GLN 82 15.984 5.543 -13.431 605 HB2 GLN 82 1HB GLN 82 18.773 4.481 -13.694 606 HB3 GLN 82 2HB GLN 82 17.624 4.248 -15.004 607 HG2 GLN 82 1HG GLN 82 17.279 6.682 -15.101 608 HG3 GLN 82 2HG GLN 82 18.496 6.883 -13.841 609 HE21 GLN 82 1HE2 GLN 82 20.658 6.529 -14.326 610 HE22 GLN 82 2HE2 GLN 82 21.237 6.448 -15.952 611 H SER 83 H SER 83 15.110 3.861 -11.458 612 HA SER 83 HA SER 83 14.297 1.571 -12.993 613 HB2 SER 83 1HB SER 83 16.102 1.251 -10.598 614 HB3 SER 83 2HB SER 83 15.026 -0.038 -11.137 615 HG SER 83 HG SER 83 16.645 -0.505 -12.402 616 H LEU 84 H LEU 84 12.476 0.525 -12.129 617 HA LEU 84 HA LEU 84 11.326 1.743 -9.712 618 HB2 LEU 84 1HB LEU 84 9.820 1.135 -12.251 619 HB3 LEU 84 2HB LEU 84 9.139 1.801 -10.768 620 HG LEU 84 HG LEU 84 11.288 3.276 -12.245 621 HD11 LEU 84 1HD1 LEU 84 9.962 3.413 -14.035 622 HD12 LEU 84 2HD1 LEU 84 8.947 4.460 -13.043 623 HD13 LEU 84 3HD1 LEU 84 8.577 2.740 -13.174 624 HD21 LEU 84 1HD2 LEU 84 10.693 4.035 -10.013 625 HD22 LEU 84 2HD2 LEU 84 8.995 4.128 -10.479 626 HD23 LEU 84 3HD2 LEU 84 10.174 5.207 -11.225 627 H LEU 85 H LEU 85 12.017 -0.161 -8.609 628 HA LEU 85 HA LEU 85 11.613 -2.778 -9.212 629 HB2 LEU 85 1HB LEU 85 11.142 -1.478 -6.533 630 HB3 LEU 85 2HB LEU 85 11.387 -3.203 -6.798 631 HG LEU 85 HG LEU 85 13.404 -0.998 -7.203 632 HD11 LEU 85 1HD1 LEU 85 14.306 -1.582 -5.232 633 HD12 LEU 85 2HD1 LEU 85 13.962 -3.296 -5.461 634 HD13 LEU 85 3HD1 LEU 85 12.694 -2.211 -4.892 635 HD21 LEU 85 1HD2 LEU 85 14.973 -2.796 -7.777 636 HD22 LEU 85 2HD2 LEU 85 13.660 -2.667 -8.949 637 HD23 LEU 85 3HD2 LEU 85 13.645 -3.956 -7.744 638 HA PRO 86 HA PRO 86 7.312 -3.608 -9.502 639 HB2 PRO 86 1HB PRO 86 7.206 -6.148 -8.548 640 HB3 PRO 86 2HB PRO 86 7.889 -5.742 -10.127 641 HG2 PRO 86 1HG PRO 86 9.292 -6.263 -7.534 642 HG3 PRO 86 2HG PRO 86 9.709 -6.823 -9.164 643 HD2 PRO 86 1HD PRO 86 10.950 -4.727 -7.982 644 HD3 PRO 86 2HD PRO 86 10.695 -4.820 -9.736 645 HA PRO 87 HA PRO 87 6.068 -2.461 -5.315 646 HB2 PRO 87 1HB PRO 87 3.642 -1.498 -6.060 647 HB3 PRO 87 2HB PRO 87 5.137 -0.571 -6.232 648 HG2 PRO 87 1HG PRO 87 3.639 -2.148 -8.289 649 HG3 PRO 87 2HG PRO 87 4.391 -0.548 -8.435 650 HD2 PRO 87 1HD PRO 87 5.567 -2.801 -9.369 651 HD3 PRO 87 2HD PRO 87 6.500 -1.429 -8.739 652 H VAL 88 H VAL 88 3.947 -2.870 -4.094 653 HA VAL 88 HA VAL 88 2.895 -5.522 -4.839 654 HB VAL 88 HB VAL 88 2.513 -5.796 -2.325 655 HG11 VAL 88 1HG1 VAL 88 5.420 -5.677 -3.055 656 HG12 VAL 88 2HG1 VAL 88 4.576 -6.858 -2.053 657 HG13 VAL 88 3HG1 VAL 88 4.332 -6.847 -3.800 658 HG21 VAL 88 1HG2 VAL 88 4.630 -3.655 -2.177 659 HG22 VAL 88 2HG2 VAL 88 2.926 -3.391 -1.807 660 HG23 VAL 88 3HG2 VAL 88 3.877 -4.510 -0.831 661 H SER 89 H SER 89 0.798 -5.543 -5.270 662 HA SER 89 HA SER 89 -0.869 -3.321 -4.342 663 HB2 SER 89 1HB SER 89 -2.438 -3.975 -6.075 664 HB3 SER 89 2HB SER 89 -0.824 -3.860 -6.776 665 HG SER 89 HG SER 89 -1.584 -6.341 -5.782 666 H THR 90 H THR 90 -2.429 -3.569 -2.869 667 HA THR 90 HA THR 90 -3.398 -6.262 -2.239 668 HB THR 90 HB THR 90 -1.531 -5.577 -0.648 669 HG1 THR 90 1HG THR 90 -4.140 -6.326 0.129 670 HG21 THR 90 1HG2 THR 90 -2.013 -3.986 1.074 671 HG22 THR 90 2HG2 THR 90 -3.661 -3.767 0.487 672 HG23 THR 90 3HG2 THR 90 -2.299 -3.194 -0.475 673 H SER 91 H SER 91 -5.541 -6.333 -1.993 674 HA SER 91 HA SER 91 -7.019 -3.820 -2.011 675 HB2 SER 91 1HB SER 91 -9.001 -5.386 -2.375 676 HB3 SER 91 2HB SER 91 -7.788 -5.354 -3.655 677 HG SER 91 HG SER 91 -7.948 -7.457 -3.336 678 H PHE 92 H PHE 92 -7.960 -2.994 -0.269 679 HA PHE 92 HA PHE 92 -8.572 -4.775 1.991 680 HB2 PHE 92 1HB PHE 92 -7.777 -3.111 3.566 681 HB3 PHE 92 2HB PHE 92 -6.485 -3.505 2.437 682 HD1 PHE 92 1HD PHE 92 -5.993 -1.919 0.556 683 HD2 PHE 92 2HD PHE 92 -8.567 -0.915 3.794 684 HE1 PHE 92 1HE PHE 92 -5.737 0.468 0.016 685 HE2 PHE 92 2HE PHE 92 -8.316 1.473 3.258 686 HZ PHE 92 HZ PHE 92 -6.900 2.167 1.366 687 H THR 93 H THR 93 -10.474 -4.405 3.028 688 HA THR 93 HA THR 93 -12.215 -2.356 1.847 689 HB THR 93 HB THR 93 -13.048 -4.726 3.527 690 HG1 THR 93 1HG THR 93 -12.104 -5.426 1.565 691 HG21 THR 93 1HG2 THR 93 -14.562 -2.669 3.273 692 HG22 THR 93 2HG2 THR 93 -15.252 -4.244 2.880 693 HG23 THR 93 3HG2 THR 93 -14.731 -3.163 1.589 694 H THR 94 H THR 94 -13.100 -0.761 3.041 695 HA THR 94 HA THR 94 -12.089 -0.374 5.727 696 HB THR 94 HB THR 94 -13.363 1.812 5.572 697 HG1 THR 94 1HG THR 94 -14.772 1.851 3.992 698 HG21 THR 94 1HG2 THR 94 -11.390 2.607 4.914 699 HG22 THR 94 2HG2 THR 94 -11.725 2.119 3.252 700 HG23 THR 94 3HG2 THR 94 -10.939 0.995 4.361 701 H GLY 95 H GLY 95 -13.468 0.171 7.535 702 HA2 GLY 95 1HA GLY 95 -15.614 -1.669 7.847 703 HA3 GLY 95 2HA GLY 95 -15.138 -0.430 8.999 704 H GLY 96 H GLY 96 -17.590 -0.480 9.206 705 HA2 GLY 96 1HA GLY 96 -18.805 1.285 7.175 706 HA3 GLY 96 2HA GLY 96 -19.705 0.146 8.165 707 H LEU 97 H LEU 97 -20.159 2.992 7.843 708 HA LEU 97 HA LEU 97 -19.332 4.176 10.363 709 HB2 LEU 97 1HB LEU 97 -20.885 5.183 7.998 710 HB3 LEU 97 2HB LEU 97 -20.749 6.112 9.490 711 HG LEU 97 HG LEU 97 -18.356 5.210 7.900 712 HD11 LEU 97 1HD1 LEU 97 -18.796 7.993 7.639 713 HD12 LEU 97 2HD1 LEU 97 -20.287 7.170 7.182 714 HD13 LEU 97 3HD1 LEU 97 -18.772 6.762 6.376 715 HD21 LEU 97 1HD2 LEU 97 -17.642 7.456 9.199 716 HD22 LEU 97 2HD2 LEU 97 -17.434 5.835 9.862 717 HD23 LEU 97 3HD2 LEU 97 -18.828 6.809 10.333 718 H ARG 98 H ARG 98 -20.413 3.600 12.130 719 HA ARG 98 HA ARG 98 -23.300 3.890 12.179 720 HB2 ARG 98 1HB ARG 98 -22.963 1.530 11.539 721 HB3 ARG 98 2HB ARG 98 -21.979 1.290 12.977 722 HG2 ARG 98 1HG ARG 98 -24.126 0.424 13.455 723 HG3 ARG 98 2HG ARG 98 -23.983 1.945 14.337 724 HD2 ARG 98 1HD ARG 98 -25.135 3.018 12.330 725 HD3 ARG 98 2HD ARG 98 -25.530 1.375 11.826 726 HE ARG 98 HE ARG 98 -26.412 1.459 14.378 727 HH11 ARG 98 2HH1 ARG 98 -26.915 3.512 11.612 728 HH12 ARG 98 1HH1 ARG 98 -28.503 4.002 12.101 729 HH21 ARG 98 2HH2 ARG 98 -28.502 2.097 15.033 730 HH22 ARG 98 1HH2 ARG 98 -29.404 3.197 14.047 731 H ILE 99 H ILE 99 -23.730 5.079 13.905 732 HA ILE 99 HA ILE 99 -21.824 5.252 16.082 733 HB ILE 99 HB ILE 99 -24.445 6.700 15.686 734 HG12 ILE 99 1HG1 ILE 99 -22.718 8.627 15.287 735 HG13 ILE 99 2HG1 ILE 99 -21.608 7.310 14.923 736 HG21 ILE 99 1HG2 ILE 99 -22.243 7.593 17.500 737 HG22 ILE 99 2HG2 ILE 99 -23.954 8.015 17.526 738 HG23 ILE 99 3HG2 ILE 99 -23.432 6.416 18.055 739 HD11 ILE 99 1HD1 ILE 99 -22.536 6.934 12.931 740 HD12 ILE 99 2HD1 ILE 99 -24.177 7.106 13.553 741 HD13 ILE 99 3HD1 ILE 99 -23.240 8.538 13.129 742 H SER 100 H SER 100 -21.992 3.262 17.123 743 HA SER 100 HA SER 100 -24.016 3.088 19.112 744 HB2 SER 100 1HB SER 100 -25.144 2.174 16.988 745 HB3 SER 100 2HB SER 100 -24.058 0.795 17.155 746 HG SER 100 HG SER 100 -25.583 1.636 19.357 747 H GLY 101 H GLY 101 -23.789 0.968 20.374 748 HA2 GLY 101 1HA GLY 101 -22.258 -0.954 20.736 749 HA3 GLY 101 2HA GLY 101 -20.949 0.147 20.332 750 HA PRO 102 HA PRO 102 -22.504 0.465 24.928 751 HB2 PRO 102 1HB PRO 102 -21.738 -1.866 26.090 752 HB3 PRO 102 2HB PRO 102 -23.351 -1.615 25.414 753 HG2 PRO 102 1HG PRO 102 -20.988 -3.003 24.211 754 HG3 PRO 102 2HG PRO 102 -22.693 -3.490 24.207 755 HD2 PRO 102 1HD PRO 102 -21.511 -2.307 22.077 756 HD3 PRO 102 2HD PRO 102 -23.225 -2.069 22.472 757 H SER 103 H SER 103 -19.714 -0.465 23.230 758 HA SER 103 HA SER 103 -18.023 0.642 25.366 759 HB2 SER 103 1HB SER 103 -17.947 -1.968 24.936 760 HB3 SER 103 2HB SER 103 -16.912 -1.492 23.590 761 HG SER 103 HG SER 103 -15.377 -1.240 24.985 762 H SER 104 H SER 104 -17.045 2.415 24.678 763 HA SER 104 HA SER 104 -16.758 2.895 21.817 764 HB2 SER 104 1HB SER 104 -17.699 4.614 23.457 765 HB3 SER 104 2HB SER 104 -16.047 4.809 24.041 766 HG SER 104 HG SER 104 -17.030 5.293 21.427 767 H GLY 105 H GLY 105 -14.749 2.778 24.742 768 HA2 GLY 105 1HA GLY 105 -12.583 1.714 24.656 769 HA3 GLY 105 2HA GLY 105 -12.426 2.275 22.998 Start of MODEL 7 1 H1 GLY 1 H GLY 1 19.696 -16.634 -15.698 2 HA2 GLY 1 1HA GLY 1 21.730 -17.415 -13.705 3 HA3 GLY 1 2HA GLY 1 22.014 -17.332 -15.437 4 H SER 2 H SER 2 21.668 -15.502 -12.488 5 HA SER 2 HA SER 2 22.254 -12.993 -13.852 6 HB2 SER 2 1HB SER 2 21.870 -11.938 -11.688 7 HB3 SER 2 2HB SER 2 20.546 -13.044 -12.053 8 HG SER 2 HG SER 2 21.035 -13.670 -10.072 9 H SER 3 H SER 3 24.052 -11.680 -13.318 10 HA SER 3 HA SER 3 26.306 -13.144 -12.108 11 HB2 SER 3 1HB SER 3 26.310 -12.746 -14.684 12 HB3 SER 3 2HB SER 3 26.710 -11.083 -14.257 13 HG SER 3 HG SER 3 28.546 -11.838 -13.196 14 H GLY 4 H GLY 4 24.634 -11.523 -10.596 15 HA2 GLY 4 1HA GLY 4 24.815 -9.888 -8.990 16 HA3 GLY 4 2HA GLY 4 26.511 -9.747 -9.426 17 H SER 5 H SER 5 23.277 -8.870 -10.624 18 HA SER 5 HA SER 5 24.215 -6.167 -11.125 19 HB2 SER 5 1HB SER 5 23.242 -8.002 -13.316 20 HB3 SER 5 2HB SER 5 23.217 -6.245 -13.470 21 HG SER 5 HG SER 5 25.223 -6.421 -14.038 22 H SER 6 H SER 6 22.659 -4.691 -10.774 23 HA SER 6 HA SER 6 20.681 -3.834 -10.037 24 HB2 SER 6 1HB SER 6 19.586 -5.820 -12.044 25 HB3 SER 6 2HB SER 6 18.684 -4.472 -11.351 26 HG SER 6 HG SER 6 21.132 -3.910 -12.565 27 H GLY 7 H GLY 7 21.700 -5.729 -8.321 28 HA2 GLY 7 1HA GLY 7 19.619 -7.621 -7.626 29 HA3 GLY 7 2HA GLY 7 21.138 -7.378 -6.777 30 H LEU 8 H LEU 8 18.112 -5.617 -7.449 31 HA LEU 8 HA LEU 8 18.311 -4.336 -4.832 32 HB2 LEU 8 1HB LEU 8 16.583 -3.874 -7.243 33 HB3 LEU 8 2HB LEU 8 16.235 -3.115 -5.691 34 HG LEU 8 HG LEU 8 18.850 -2.765 -7.143 35 HD11 LEU 8 1HD1 LEU 8 17.386 -1.809 -8.657 36 HD12 LEU 8 2HD1 LEU 8 17.796 -0.448 -7.613 37 HD13 LEU 8 3HD1 LEU 8 16.261 -1.290 -7.402 38 HD21 LEU 8 1HD2 LEU 8 18.366 -0.557 -5.599 39 HD22 LEU 8 2HD2 LEU 8 19.395 -1.916 -5.148 40 HD23 LEU 8 3HD2 LEU 8 17.716 -1.863 -4.608 41 H GLU 9 H GLU 9 16.106 -4.049 -3.695 42 HA GLU 9 HA GLU 9 14.571 -6.554 -3.810 43 HB2 GLU 9 1HB GLU 9 15.967 -5.326 -1.478 44 HB3 GLU 9 2HB GLU 9 14.425 -6.123 -1.195 45 HG2 GLU 9 1HG GLU 9 16.682 -7.474 -2.637 46 HG3 GLU 9 2HG GLU 9 16.525 -7.508 -0.881 47 H ALA 10 H ALA 10 12.393 -6.404 -3.274 48 HA ALA 10 HA ALA 10 11.344 -3.656 -3.194 49 HB1 ALA 10 1HB ALA 10 9.952 -4.256 -4.812 50 HB2 ALA 10 2HB ALA 10 10.713 -5.847 -4.853 51 HB3 ALA 10 3HB ALA 10 9.315 -5.564 -3.816 52 HA PRO 11 HA PRO 11 9.440 -4.230 0.717 53 HB2 PRO 11 1HB PRO 11 7.018 -3.049 0.388 54 HB3 PRO 11 2HB PRO 11 8.527 -2.134 0.484 55 HG2 PRO 11 1HG PRO 11 6.954 -2.945 -1.931 56 HG3 PRO 11 2HG PRO 11 7.735 -1.393 -1.573 57 HD2 PRO 11 1HD PRO 11 8.845 -3.238 -3.215 58 HD3 PRO 11 2HD PRO 11 9.818 -2.153 -2.201 59 H ARG 12 H ARG 12 8.264 -5.715 1.821 60 HA ARG 12 HA ARG 12 6.187 -7.209 0.379 61 HB2 ARG 12 1HB ARG 12 7.041 -9.313 1.047 62 HB3 ARG 12 2HB ARG 12 8.416 -8.423 0.408 63 HG2 ARG 12 1HG ARG 12 8.882 -7.777 2.844 64 HG3 ARG 12 2HG ARG 12 7.767 -9.082 3.254 65 HD2 ARG 12 1HD ARG 12 10.098 -9.838 3.262 66 HD3 ARG 12 2HD ARG 12 9.142 -10.670 2.036 67 HE ARG 12 HE ARG 12 10.514 -8.364 1.025 68 HH11 ARG 12 2HH1 ARG 12 10.810 -11.752 1.771 69 HH12 ARG 12 1HH1 ARG 12 12.094 -12.023 0.640 70 HH21 ARG 12 2HH2 ARG 12 12.205 -8.708 -0.468 71 HH22 ARG 12 1HH2 ARG 12 12.887 -10.291 -0.632 72 H ASP 13 H ASP 13 5.127 -8.807 2.083 73 HA ASP 13 HA ASP 13 3.760 -8.994 3.892 74 HB2 ASP 13 1HB ASP 13 6.144 -8.728 4.965 75 HB3 ASP 13 2HB ASP 13 5.521 -7.161 5.475 76 H LEU 14 H LEU 14 3.134 -6.996 2.023 77 HA LEU 14 HA LEU 14 2.364 -4.622 3.497 78 HB2 LEU 14 1HB LEU 14 3.095 -4.233 1.283 79 HB3 LEU 14 2HB LEU 14 2.044 -5.492 0.638 80 HG LEU 14 HG LEU 14 0.134 -3.931 1.519 81 HD11 LEU 14 1HD1 LEU 14 2.542 -2.163 1.480 82 HD12 LEU 14 2HD1 LEU 14 1.222 -2.235 2.646 83 HD13 LEU 14 3HD1 LEU 14 0.957 -1.513 1.059 84 HD21 LEU 14 1HD2 LEU 14 1.011 -2.560 -0.792 85 HD22 LEU 14 2HD2 LEU 14 -0.189 -3.848 -0.673 86 HD23 LEU 14 3HD2 LEU 14 1.507 -4.244 -0.958 87 H GLU 15 H GLU 15 0.672 -4.794 4.819 88 HA GLU 15 HA GLU 15 -1.821 -5.884 3.735 89 HB2 GLU 15 1HB GLU 15 -0.912 -7.705 5.037 90 HB3 GLU 15 2HB GLU 15 -0.610 -6.635 6.399 91 HG2 GLU 15 1HG GLU 15 -3.156 -6.233 6.356 92 HG3 GLU 15 2HG GLU 15 -3.210 -7.701 5.381 93 H ALA 16 H ALA 16 -3.708 -4.984 4.601 94 HA ALA 16 HA ALA 16 -3.368 -2.324 5.666 95 HB1 ALA 16 1HB ALA 16 -6.090 -2.894 5.636 96 HB2 ALA 16 2HB ALA 16 -5.170 -2.041 4.396 97 HB3 ALA 16 3HB ALA 16 -5.428 -3.781 4.263 98 H LYS 17 H LYS 17 -3.300 -1.851 7.753 99 HA LYS 17 HA LYS 17 -4.633 -3.666 9.655 100 HB2 LYS 17 1HB LYS 17 -2.094 -2.066 10.004 101 HB3 LYS 17 2HB LYS 17 -2.911 -2.912 11.310 102 HG2 LYS 17 1HG LYS 17 -2.672 -4.973 9.711 103 HG3 LYS 17 2HG LYS 17 -1.373 -4.006 9.010 104 HD2 LYS 17 1HD LYS 17 -0.405 -3.774 11.296 105 HD3 LYS 17 2HD LYS 17 -1.636 -4.896 11.880 106 HE2 LYS 17 1HE LYS 17 -0.773 -6.665 10.554 107 HE3 LYS 17 2HE LYS 17 0.270 -5.568 9.650 108 HZ1 LYS 17 1HZ LYS 17 0.630 -5.750 12.551 109 HZ2 LYS 17 2HZ LYS 17 1.772 -5.452 11.340 110 HZ3 LYS 17 3HZ LYS 17 1.202 -7.024 11.596 111 H GLU 18 H GLU 18 -5.503 -2.689 11.582 112 HA GLU 18 HA GLU 18 -6.844 -1.178 12.631 113 HB2 GLU 18 1HB GLU 18 -4.826 0.775 11.512 114 HB3 GLU 18 2HB GLU 18 -5.991 1.136 12.778 115 HG2 GLU 18 1HG GLU 18 -4.028 -1.098 13.091 116 HG3 GLU 18 2HG GLU 18 -3.574 0.569 13.436 117 H VAL 19 H VAL 19 -7.696 -1.964 10.076 118 HA VAL 19 HA VAL 19 -8.445 0.210 8.430 119 HB VAL 19 HB VAL 19 -9.712 -2.522 8.676 120 HG11 VAL 19 1HG1 VAL 19 -10.245 -1.807 6.167 121 HG12 VAL 19 2HG1 VAL 19 -11.336 -1.445 7.506 122 HG13 VAL 19 3HG1 VAL 19 -10.234 -0.206 6.904 123 HG21 VAL 19 1HG2 VAL 19 -8.383 -2.727 6.426 124 HG22 VAL 19 2HG2 VAL 19 -7.394 -1.451 7.135 125 HG23 VAL 19 3HG2 VAL 19 -7.575 -2.993 7.971 126 H THR 20 H THR 20 -10.030 1.652 8.618 127 HA THR 20 HA THR 20 -12.344 1.045 10.310 128 HB THR 20 HB THR 20 -12.111 3.582 11.029 129 HG1 THR 20 1HG THR 20 -9.708 3.792 11.480 130 HG21 THR 20 1HG2 THR 20 -10.608 2.683 12.983 131 HG22 THR 20 2HG2 THR 20 -10.881 1.125 12.201 132 HG23 THR 20 3HG2 THR 20 -12.251 2.078 12.772 133 HA PRO 21 HA PRO 21 -14.724 3.008 7.189 134 HB2 PRO 21 1HB PRO 21 -16.680 4.215 8.634 135 HB3 PRO 21 2HB PRO 21 -16.592 2.464 8.411 136 HG2 PRO 21 1HG PRO 21 -15.711 4.123 10.742 137 HG3 PRO 21 2HG PRO 21 -16.581 2.578 10.734 138 HD2 PRO 21 1HD PRO 21 -13.919 2.749 11.199 139 HD3 PRO 21 2HD PRO 21 -14.659 1.354 10.388 140 H ARG 22 H ARG 22 -12.806 4.752 9.237 141 HA ARG 22 HA ARG 22 -13.500 7.290 7.909 142 HB2 ARG 22 1HB ARG 22 -12.803 6.697 10.747 143 HB3 ARG 22 2HB ARG 22 -12.249 8.218 10.060 144 HG2 ARG 22 1HG ARG 22 -14.426 8.987 9.705 145 HG3 ARG 22 2HG ARG 22 -15.118 7.373 9.879 146 HD2 ARG 22 1HD ARG 22 -13.748 8.875 12.104 147 HD3 ARG 22 2HD ARG 22 -15.491 8.883 11.835 148 HE ARG 22 HE ARG 22 -14.500 6.230 12.016 149 HH11 ARG 22 2HH1 ARG 22 -15.297 9.020 13.939 150 HH12 ARG 22 1HH1 ARG 22 -15.642 8.100 15.366 151 HH21 ARG 22 2HH2 ARG 22 -14.951 5.008 13.888 152 HH22 ARG 22 1HH2 ARG 22 -15.444 5.818 15.336 153 H THR 23 H THR 23 -10.932 5.234 9.175 154 HA THR 23 HA THR 23 -9.091 6.416 7.236 155 HB THR 23 HB THR 23 -7.269 6.521 8.912 156 HG1 THR 23 1HG THR 23 -7.929 5.210 10.551 157 HG21 THR 23 1HG2 THR 23 -7.758 8.664 9.492 158 HG22 THR 23 2HG2 THR 23 -9.360 8.248 10.101 159 HG23 THR 23 3HG2 THR 23 -9.091 8.409 8.366 160 H ALA 24 H ALA 24 -6.934 5.124 7.315 161 HA ALA 24 HA ALA 24 -7.171 2.372 8.139 162 HB1 ALA 24 1HB ALA 24 -7.410 1.322 6.125 163 HB2 ALA 24 2HB ALA 24 -8.373 2.769 5.824 164 HB3 ALA 24 3HB ALA 24 -6.721 2.667 5.215 165 H LEU 25 H LEU 25 -5.214 1.582 8.608 166 HA LEU 25 HA LEU 25 -2.874 3.128 7.747 167 HB2 LEU 25 1HB LEU 25 -3.014 2.985 10.105 168 HB3 LEU 25 2HB LEU 25 -3.353 1.256 10.050 169 HG LEU 25 HG LEU 25 -0.980 1.026 9.088 170 HD11 LEU 25 1HD1 LEU 25 -1.001 3.871 10.000 171 HD12 LEU 25 2HD1 LEU 25 -0.296 3.163 8.547 172 HD13 LEU 25 3HD1 LEU 25 0.476 2.913 10.113 173 HD21 LEU 25 1HD2 LEU 25 -1.375 0.156 11.223 174 HD22 LEU 25 2HD2 LEU 25 -1.640 1.752 11.925 175 HD23 LEU 25 3HD2 LEU 25 -0.016 1.257 11.446 176 H LEU 26 H LEU 26 -1.187 2.211 6.666 177 HA LEU 26 HA LEU 26 -1.459 -0.630 5.934 178 HB2 LEU 26 1HB LEU 26 -1.012 1.774 4.254 179 HB3 LEU 26 2HB LEU 26 -0.156 0.299 3.808 180 HG LEU 26 HG LEU 26 -3.098 0.152 4.249 181 HD11 LEU 26 1HD1 LEU 26 -2.706 2.176 2.855 182 HD12 LEU 26 2HD1 LEU 26 -3.591 0.894 2.029 183 HD13 LEU 26 3HD1 LEU 26 -1.881 1.150 1.681 184 HD21 LEU 26 1HD2 LEU 26 -2.917 -1.788 3.138 185 HD22 LEU 26 2HD2 LEU 26 -1.198 -1.648 3.507 186 HD23 LEU 26 3HD2 LEU 26 -1.809 -1.115 1.941 187 H THR 27 H THR 27 0.114 -1.680 6.960 188 HA THR 27 HA THR 27 2.728 -0.397 7.293 189 HB THR 27 HB THR 27 3.220 -2.235 8.872 190 HG1 THR 27 1HG THR 27 0.510 -2.995 8.405 191 HG21 THR 27 1HG2 THR 27 0.596 -0.858 9.460 192 HG22 THR 27 2HG2 THR 27 2.190 -0.132 9.662 193 HG23 THR 27 3HG2 THR 27 1.722 -1.520 10.644 194 H TRP 28 H TRP 28 4.495 -1.053 6.227 195 HA TRP 28 HA TRP 28 4.405 -3.622 4.801 196 HB2 TRP 28 1HB TRP 28 5.293 -2.661 2.804 197 HB3 TRP 28 2HB TRP 28 3.919 -1.666 3.277 198 HD1 TRP 28 HD TRP 28 7.783 -1.600 3.387 199 HE1 TRP 28 1HE TRP 28 8.539 0.860 3.395 200 HE3 TRP 28 3HE TRP 28 3.205 0.656 3.699 201 HZ2 TRP 28 2HZ TRP 28 7.352 3.419 3.518 202 HZ3 TRP 28 3HZ TRP 28 3.103 3.113 3.757 203 HH2 TRP 28 HH TRP 28 5.135 4.465 3.669 204 H THR 29 H THR 29 6.495 -4.518 4.289 205 HA THR 29 HA THR 29 8.466 -3.855 6.333 206 HB THR 29 HB THR 29 8.115 -6.223 4.506 207 HG1 THR 29 1HG THR 29 8.493 -6.291 7.299 208 HG21 THR 29 1HG2 THR 29 10.376 -6.318 4.437 209 HG22 THR 29 2HG2 THR 29 10.191 -6.961 6.069 210 HG23 THR 29 3HG2 THR 29 10.568 -5.255 5.830 211 H GLU 30 H GLU 30 10.264 -2.750 5.925 212 HA GLU 30 HA GLU 30 10.830 -1.827 3.266 213 HB2 GLU 30 1HB GLU 30 11.885 -1.301 5.993 214 HB3 GLU 30 2HB GLU 30 12.964 -0.974 4.644 215 HG2 GLU 30 1HG GLU 30 11.951 1.058 4.909 216 HG3 GLU 30 2HG GLU 30 10.920 0.322 3.684 217 HA PRO 31 HA PRO 31 13.605 -5.032 2.055 218 HB2 PRO 31 1HB PRO 31 14.893 -3.706 0.067 219 HB3 PRO 31 2HB PRO 31 13.242 -4.314 -0.097 220 HG2 PRO 31 1HG PRO 31 14.187 -1.543 0.528 221 HG3 PRO 31 2HG PRO 31 12.894 -2.063 -0.569 222 HD2 PRO 31 1HD PRO 31 12.400 -1.116 1.920 223 HD3 PRO 31 2HD PRO 31 11.381 -2.348 1.147 224 HA PRO 32 HA PRO 32 17.563 -4.430 3.872 225 HB2 PRO 32 1HB PRO 32 19.235 -5.711 2.158 226 HB3 PRO 32 2HB PRO 32 18.105 -6.564 3.216 227 HG2 PRO 32 1HG PRO 32 17.836 -5.882 0.314 228 HG3 PRO 32 2HG PRO 32 17.431 -7.392 1.150 229 HD2 PRO 32 1HD PRO 32 15.561 -5.553 0.477 230 HD3 PRO 32 2HD PRO 32 15.421 -6.572 1.924 231 H VAL 33 H VAL 33 16.710 -2.811 1.137 232 HA VAL 33 HA VAL 33 19.222 -1.276 1.140 233 HB VAL 33 HB VAL 33 17.602 -2.119 -1.259 234 HG11 VAL 33 1HG1 VAL 33 19.060 0.329 -0.837 235 HG12 VAL 33 2HG1 VAL 33 19.792 -0.620 -2.132 236 HG13 VAL 33 3HG1 VAL 33 18.088 -0.173 -2.220 237 HG21 VAL 33 1HG2 VAL 33 20.462 -2.525 -0.408 238 HG22 VAL 33 2HG2 VAL 33 19.223 -3.753 -0.668 239 HG23 VAL 33 3HG2 VAL 33 19.880 -2.859 -2.039 240 H ARG 34 H ARG 34 18.926 0.794 1.618 241 HA ARG 34 HA ARG 34 16.329 1.885 2.001 242 HB2 ARG 34 1HB ARG 34 18.679 2.463 3.092 243 HB3 ARG 34 2HB ARG 34 18.719 3.656 1.801 244 HG2 ARG 34 1HG ARG 34 17.753 4.897 3.440 245 HG3 ARG 34 2HG ARG 34 16.304 4.206 2.706 246 HD2 ARG 34 1HD ARG 34 17.682 2.795 4.955 247 HD3 ARG 34 2HD ARG 34 16.590 4.139 5.285 248 HE ARG 34 HE ARG 34 14.797 2.838 4.573 249 HH11 ARG 34 2HH1 ARG 34 17.821 1.168 4.141 250 HH12 ARG 34 1HH1 ARG 34 17.080 -0.377 3.883 251 HH21 ARG 34 2HH2 ARG 34 13.810 0.809 4.236 252 HH22 ARG 34 1HH2 ARG 34 14.799 -0.580 3.937 253 HA PRO 35 HA PRO 35 15.800 3.041 -2.296 254 HB2 PRO 35 1HB PRO 35 13.251 3.927 -1.995 255 HB3 PRO 35 2HB PRO 35 13.664 2.213 -2.112 256 HG2 PRO 35 1HG PRO 35 13.094 3.861 0.321 257 HG3 PRO 35 2HG PRO 35 12.546 2.221 -0.074 258 HD2 PRO 35 1HD PRO 35 14.610 2.701 1.611 259 HD3 PRO 35 2HD PRO 35 14.540 1.263 0.572 260 H ALA 36 H ALA 36 14.870 5.086 -3.356 261 HA ALA 36 HA ALA 36 16.107 7.375 -2.054 262 HB1 ALA 36 1HB ALA 36 16.409 6.684 -4.519 263 HB2 ALA 36 2HB ALA 36 14.835 7.442 -4.765 264 HB3 ALA 36 3HB ALA 36 16.184 8.392 -4.142 265 H GLY 37 H GLY 37 12.933 6.281 -3.115 266 HA2 GLY 37 1HA GLY 37 11.664 8.177 -1.347 267 HA3 GLY 37 2HA GLY 37 11.386 8.505 -3.051 268 H TYR 38 H TYR 38 9.168 8.105 -1.771 269 HA TYR 38 HA TYR 38 8.352 5.403 -2.564 270 HB2 TYR 38 1HB TYR 38 8.109 6.637 0.133 271 HB3 TYR 38 2HB TYR 38 6.753 5.673 -0.443 272 HD1 TYR 38 2HD TYR 38 7.108 3.270 -1.009 273 HD2 TYR 38 1HD TYR 38 10.128 5.614 0.858 274 HE1 TYR 38 2HE TYR 38 8.276 1.214 -0.330 275 HE2 TYR 38 1HE TYR 38 11.305 3.565 1.542 276 HH TYR 38 HH TYR 38 9.878 0.411 1.152 277 H LEU 39 H LEU 39 6.388 5.282 -3.534 278 HA LEU 39 HA LEU 39 4.707 7.693 -3.546 279 HB2 LEU 39 1HB LEU 39 6.086 7.601 -5.594 280 HB3 LEU 39 2HB LEU 39 5.383 6.028 -5.967 281 HG LEU 39 HG LEU 39 3.145 7.169 -6.078 282 HD11 LEU 39 1HD1 LEU 39 4.788 9.408 -5.246 283 HD12 LEU 39 2HD1 LEU 39 3.033 9.228 -5.244 284 HD13 LEU 39 3HD1 LEU 39 3.863 9.762 -6.705 285 HD21 LEU 39 1HD2 LEU 39 5.402 7.644 -7.961 286 HD22 LEU 39 2HD2 LEU 39 3.856 8.434 -8.271 287 HD23 LEU 39 3HD2 LEU 39 3.943 6.675 -8.167 288 H LEU 40 H LEU 40 3.012 6.958 -2.391 289 HA LEU 40 HA LEU 40 1.953 4.293 -2.859 290 HB2 LEU 40 1HB LEU 40 2.153 5.188 -0.574 291 HB3 LEU 40 2HB LEU 40 1.011 6.463 -0.990 292 HG LEU 40 HG LEU 40 -0.606 4.502 -1.510 293 HD11 LEU 40 1HD1 LEU 40 0.556 2.914 0.594 294 HD12 LEU 40 2HD1 LEU 40 1.648 3.035 -0.786 295 HD13 LEU 40 3HD1 LEU 40 0.007 2.429 -1.011 296 HD21 LEU 40 1HD2 LEU 40 -1.386 4.516 0.781 297 HD22 LEU 40 2HD2 LEU 40 -0.850 6.132 0.320 298 HD23 LEU 40 3HD2 LEU 40 0.175 5.119 1.337 299 H SER 41 H SER 41 0.461 3.902 -4.341 300 HA SER 41 HA SER 41 -1.305 6.109 -5.178 301 HB2 SER 41 1HB SER 41 0.317 5.182 -6.898 302 HB3 SER 41 2HB SER 41 -0.605 3.679 -6.834 303 HG SER 41 HG SER 41 -1.650 6.236 -7.496 304 H PHE 42 H PHE 42 -3.297 5.900 -4.426 305 HA PHE 42 HA PHE 42 -4.446 3.195 -4.220 306 HB2 PHE 42 1HB PHE 42 -5.462 3.696 -2.195 307 HB3 PHE 42 2HB PHE 42 -3.930 4.550 -2.044 308 HD1 PHE 42 1HD PHE 42 -7.539 4.900 -2.511 309 HD2 PHE 42 2HD PHE 42 -3.838 6.959 -2.084 310 HE1 PHE 42 1HE PHE 42 -8.757 6.996 -2.091 311 HE2 PHE 42 2HE PHE 42 -5.050 9.058 -1.663 312 HZ PHE 42 HZ PHE 42 -7.513 9.078 -1.665 313 H HIS 43 H HIS 43 -6.214 2.850 -5.392 314 HA HIS 43 HA HIS 43 -7.789 5.177 -6.277 315 HB2 HIS 43 1HB HIS 43 -7.900 4.409 -8.453 316 HB3 HIS 43 2HB HIS 43 -6.274 3.898 -8.007 317 HD1 HIS 43 1HD HIS 43 -6.938 1.320 -6.473 318 HD2 HIS 43 2HD HIS 43 -8.662 2.383 -10.100 319 HE1 HIS 43 1HE HIS 43 -7.722 -0.837 -7.502 320 HE2 HIS 43 2HE HIS 43 -8.686 -0.178 -9.734 321 H THR 44 H THR 44 -10.037 4.762 -6.710 322 HA THR 44 HA THR 44 -11.096 2.636 -4.987 323 HB THR 44 HB THR 44 -12.941 3.931 -4.558 324 HG1 THR 44 1HG THR 44 -13.916 5.206 -6.041 325 HG21 THR 44 1HG2 THR 44 -12.188 5.992 -3.872 326 HG22 THR 44 2HG2 THR 44 -11.293 6.282 -5.363 327 HG23 THR 44 3HG2 THR 44 -10.652 5.173 -4.151 328 HA PRO 45 HA PRO 45 -12.727 0.317 -8.343 329 HB2 PRO 45 1HB PRO 45 -14.964 -0.718 -7.206 330 HB3 PRO 45 2HB PRO 45 -13.335 -1.263 -6.790 331 HG2 PRO 45 1HG PRO 45 -15.118 0.656 -5.341 332 HG3 PRO 45 2HG PRO 45 -14.105 -0.643 -4.685 333 HD2 PRO 45 1HD PRO 45 -13.350 1.957 -4.638 334 HD3 PRO 45 2HD PRO 45 -12.185 0.627 -4.796 335 H GLY 46 H GLY 46 -13.181 2.364 -9.535 336 HA2 GLY 46 1HA GLY 46 -15.185 2.649 -11.069 337 HA3 GLY 46 2HA GLY 46 -16.066 2.989 -9.586 338 H GLY 47 H GLY 47 -13.306 4.300 -8.787 339 HA2 GLY 47 1HA GLY 47 -14.055 6.921 -9.897 340 HA3 GLY 47 2HA GLY 47 -13.172 6.665 -8.399 341 H GLN 48 H GLN 48 -11.607 8.188 -9.155 342 HA GLN 48 HA GLN 48 -9.921 7.236 -11.363 343 HB2 GLN 48 1HB GLN 48 -10.532 9.463 -11.786 344 HB3 GLN 48 2HB GLN 48 -10.322 9.935 -10.105 345 HG2 GLN 48 1HG GLN 48 -8.520 10.884 -11.268 346 HG3 GLN 48 2HG GLN 48 -7.859 9.488 -10.417 347 HE21 GLN 48 1HE2 GLN 48 -6.118 9.435 -11.875 348 HE22 GLN 48 2HE2 GLN 48 -6.301 8.804 -13.473 349 H THR 49 H THR 49 -7.608 7.292 -11.119 350 HA THR 49 HA THR 49 -6.773 6.268 -8.568 351 HB THR 49 HB THR 49 -5.252 6.797 -11.123 352 HG1 THR 49 1HG THR 49 -5.780 4.791 -11.552 353 HG21 THR 49 1HG2 THR 49 -3.576 7.008 -9.510 354 HG22 THR 49 2HG2 THR 49 -3.512 5.299 -9.942 355 HG23 THR 49 3HG2 THR 49 -4.310 5.804 -8.453 356 H GLN 50 H GLN 50 -5.098 7.113 -7.249 357 HA GLN 50 HA GLN 50 -4.475 9.955 -7.647 358 HB2 GLN 50 1HB GLN 50 -6.294 9.910 -6.057 359 HB3 GLN 50 2HB GLN 50 -5.476 8.685 -5.096 360 HG2 GLN 50 1HG GLN 50 -5.271 10.828 -4.029 361 HG3 GLN 50 2HG GLN 50 -3.690 10.296 -4.599 362 HE21 GLN 50 1HE2 GLN 50 -2.772 12.286 -4.770 363 HE22 GLN 50 2HE2 GLN 50 -3.282 13.482 -5.907 364 H GLU 51 H GLU 51 -2.473 10.622 -6.917 365 HA GLU 51 HA GLU 51 -0.695 8.473 -5.965 366 HB2 GLU 51 1HB GLU 51 -0.093 10.810 -7.782 367 HB3 GLU 51 2HB GLU 51 1.142 9.769 -7.087 368 HG2 GLU 51 1HG GLU 51 0.317 7.874 -8.279 369 HG3 GLU 51 2HG GLU 51 -1.096 8.772 -8.829 370 H ILE 52 H ILE 52 0.495 8.823 -4.177 371 HA ILE 52 HA ILE 52 0.491 11.536 -3.031 372 HB ILE 52 HB ILE 52 0.328 9.022 -1.377 373 HG12 ILE 52 1HG1 ILE 52 -1.948 10.903 -2.022 374 HG13 ILE 52 2HG1 ILE 52 -1.695 9.367 -2.843 375 HG21 ILE 52 1HG2 ILE 52 0.982 11.650 -0.738 376 HG22 ILE 52 2HG2 ILE 52 -0.688 11.458 -0.207 377 HG23 ILE 52 3HG2 ILE 52 0.557 10.359 0.386 378 HD11 ILE 52 1HD1 ILE 52 -3.133 8.640 -1.276 379 HD12 ILE 52 2HD1 ILE 52 -1.668 8.528 -0.300 380 HD13 ILE 52 3HD1 ILE 52 -2.725 9.930 -0.145 381 H LEU 53 H LEU 53 2.447 12.305 -2.592 382 HA LEU 53 HA LEU 53 4.769 10.639 -2.927 383 HB2 LEU 53 1HB LEU 53 4.557 13.033 -3.686 384 HB3 LEU 53 2HB LEU 53 4.679 13.498 -1.990 385 HG LEU 53 HG LEU 53 6.923 12.287 -1.988 386 HD11 LEU 53 1HD1 LEU 53 7.402 11.113 -3.814 387 HD12 LEU 53 2HD1 LEU 53 7.660 12.654 -4.631 388 HD13 LEU 53 3HD1 LEU 53 6.090 11.857 -4.727 389 HD21 LEU 53 1HD2 LEU 53 6.408 14.820 -2.180 390 HD22 LEU 53 2HD2 LEU 53 6.920 14.624 -3.857 391 HD23 LEU 53 3HD2 LEU 53 8.034 14.241 -2.544 392 H LEU 54 H LEU 54 5.725 9.513 -1.377 393 HA LEU 54 HA LEU 54 5.356 10.371 1.418 394 HB2 LEU 54 1HB LEU 54 5.352 7.674 0.146 395 HB3 LEU 54 2HB LEU 54 5.916 7.838 1.808 396 HG LEU 54 HG LEU 54 3.612 9.065 2.129 397 HD11 LEU 54 1HD1 LEU 54 2.069 7.450 0.585 398 HD12 LEU 54 2HD1 LEU 54 3.393 7.823 -0.518 399 HD13 LEU 54 3HD1 LEU 54 2.457 9.129 0.208 400 HD21 LEU 54 1HD2 LEU 54 4.366 6.207 2.166 401 HD22 LEU 54 2HD2 LEU 54 2.646 6.574 2.303 402 HD23 LEU 54 3HD2 LEU 54 3.788 7.248 3.467 403 HA PRO 55 HA PRO 55 9.723 10.770 1.745 404 HB2 PRO 55 1HB PRO 55 10.020 10.363 4.413 405 HB3 PRO 55 2HB PRO 55 9.332 11.845 3.738 406 HG2 PRO 55 1HG PRO 55 7.936 9.464 4.898 407 HG3 PRO 55 2HG PRO 55 7.591 11.188 5.133 408 HD2 PRO 55 1HD PRO 55 6.165 9.636 3.433 409 HD3 PRO 55 2HD PRO 55 6.454 11.362 3.136 410 H GLY 56 H GLY 56 11.670 9.598 2.304 411 HA2 GLY 56 1HA GLY 56 11.268 6.705 2.078 412 HA3 GLY 56 2HA GLY 56 12.760 7.572 1.746 413 H GLY 57 H GLY 57 11.117 5.649 3.956 414 HA2 GLY 57 1HA GLY 57 12.824 4.811 5.666 415 HA3 GLY 57 2HA GLY 57 12.874 6.494 6.168 416 H ILE 58 H ILE 58 9.909 4.993 5.117 417 HA ILE 58 HA ILE 58 8.988 4.937 7.916 418 HB ILE 58 HB ILE 58 6.849 5.762 7.294 419 HG12 ILE 58 1HG1 ILE 58 7.778 5.735 4.414 420 HG13 ILE 58 2HG1 ILE 58 6.702 4.541 5.131 421 HG21 ILE 58 1HG2 ILE 58 8.739 7.403 7.517 422 HG22 ILE 58 2HG2 ILE 58 8.804 7.455 5.756 423 HG23 ILE 58 3HG2 ILE 58 7.347 7.979 6.600 424 HD11 ILE 58 1HD1 ILE 58 4.963 6.081 5.357 425 HD12 ILE 58 2HD1 ILE 58 6.038 7.461 5.129 426 HD13 ILE 58 3HD1 ILE 58 5.653 6.409 3.767 427 H THR 59 H THR 59 7.774 3.215 8.556 428 HA THR 59 HA THR 59 7.446 1.055 6.583 429 HB THR 59 HB THR 59 7.685 -0.540 8.303 430 HG1 THR 59 1HG THR 59 7.213 1.648 10.046 431 HG21 THR 59 1HG2 THR 59 9.862 0.066 7.919 432 HG22 THR 59 2HG2 THR 59 9.748 0.451 9.636 433 HG23 THR 59 3HG2 THR 59 9.603 1.732 8.433 434 H SER 60 H SER 60 5.603 3.359 7.354 435 HA SER 60 HA SER 60 3.169 1.962 7.116 436 HB2 SER 60 1HB SER 60 2.180 2.214 9.267 437 HB3 SER 60 2HB SER 60 3.765 1.493 9.547 438 HG SER 60 HG SER 60 3.397 3.212 10.981 439 H HIS 61 H HIS 61 1.335 3.373 6.975 440 HA HIS 61 HA HIS 61 1.768 6.229 7.199 441 HB2 HIS 61 1HB HIS 61 2.543 5.289 4.856 442 HB3 HIS 61 2HB HIS 61 0.814 5.298 4.522 443 HD1 HIS 61 1HD HIS 61 0.706 7.230 2.921 444 HD2 HIS 61 2HD HIS 61 2.687 8.182 6.446 445 HE1 HIS 61 1HE HIS 61 1.074 9.716 2.835 446 HE2 HIS 61 2HE HIS 61 2.349 10.257 4.938 447 H GLN 62 H GLN 62 -0.095 7.336 7.553 448 HA GLN 62 HA GLN 62 -2.521 5.737 7.816 449 HB2 GLN 62 1HB GLN 62 -1.863 7.064 9.743 450 HB3 GLN 62 2HB GLN 62 -1.856 8.527 8.767 451 HG2 GLN 62 1HG GLN 62 -3.862 8.647 9.915 452 HG3 GLN 62 2HG GLN 62 -4.329 8.017 8.336 453 HE21 GLN 62 1HE2 GLN 62 -5.214 6.020 8.183 454 HE22 GLN 62 2HE2 GLN 62 -5.572 5.016 9.542 455 H LEU 63 H LEU 63 -4.010 5.741 6.279 456 HA LEU 63 HA LEU 63 -3.976 7.819 4.238 457 HB2 LEU 63 1HB LEU 63 -5.301 5.142 4.482 458 HB3 LEU 63 2HB LEU 63 -5.797 6.294 3.243 459 HG LEU 63 HG LEU 63 -3.050 5.082 3.543 460 HD11 LEU 63 1HD1 LEU 63 -5.075 3.701 2.670 461 HD12 LEU 63 2HD1 LEU 63 -3.547 3.674 1.790 462 HD13 LEU 63 3HD1 LEU 63 -4.877 4.681 1.217 463 HD21 LEU 63 1HD2 LEU 63 -4.049 7.388 2.060 464 HD22 LEU 63 2HD2 LEU 63 -3.222 6.204 1.047 465 HD23 LEU 63 3HD2 LEU 63 -2.393 6.910 2.436 466 H LEU 64 H LEU 64 -5.585 9.271 3.883 467 HA LEU 64 HA LEU 64 -7.824 9.261 5.799 468 HB2 LEU 64 1HB LEU 64 -6.774 11.744 4.499 469 HB3 LEU 64 2HB LEU 64 -7.739 11.584 5.964 470 HG LEU 64 HG LEU 64 -5.700 12.163 6.837 471 HD11 LEU 64 1HD1 LEU 64 -4.847 9.361 6.786 472 HD12 LEU 64 2HD1 LEU 64 -6.517 9.613 7.292 473 HD13 LEU 64 3HD1 LEU 64 -5.205 10.418 8.152 474 HD21 LEU 64 1HD2 LEU 64 -3.540 11.411 5.961 475 HD22 LEU 64 2HD2 LEU 64 -4.494 12.229 4.724 476 HD23 LEU 64 3HD2 LEU 64 -4.371 10.469 4.724 477 H GLY 65 H GLY 65 -9.734 10.581 4.991 478 HA2 GLY 65 1HA GLY 65 -11.413 10.878 3.455 479 HA3 GLY 65 2HA GLY 65 -10.147 11.051 2.248 480 H LEU 66 H LEU 66 -11.899 8.580 4.109 481 HA LEU 66 HA LEU 66 -11.808 6.867 1.716 482 HB2 LEU 66 1HB LEU 66 -11.752 5.857 4.550 483 HB3 LEU 66 2HB LEU 66 -11.552 4.920 3.070 484 HG LEU 66 HG LEU 66 -9.598 6.956 4.141 485 HD11 LEU 66 1HD1 LEU 66 -10.026 4.476 5.139 486 HD12 LEU 66 2HD1 LEU 66 -8.469 5.304 5.157 487 HD13 LEU 66 3HD1 LEU 66 -8.831 4.134 3.888 488 HD21 LEU 66 1HD2 LEU 66 -9.230 5.017 1.868 489 HD22 LEU 66 2HD2 LEU 66 -8.154 6.322 2.367 490 HD23 LEU 66 3HD2 LEU 66 -9.717 6.697 1.640 491 H PHE 67 H PHE 67 -13.591 5.380 1.494 492 HA PHE 67 HA PHE 67 -16.061 6.508 2.579 493 HB2 PHE 67 1HB PHE 67 -15.556 4.603 0.286 494 HB3 PHE 67 2HB PHE 67 -17.160 5.100 0.816 495 HD1 PHE 67 2HD PHE 67 -16.715 7.960 1.369 496 HD2 PHE 67 1HD PHE 67 -15.346 5.515 -1.835 497 HE1 PHE 67 2HE PHE 67 -16.580 9.943 -0.082 498 HE2 PHE 67 1HE PHE 67 -15.208 7.494 -3.291 499 HZ PHE 67 HZ PHE 67 -15.826 9.711 -2.415 500 HA PRO 68 HA PRO 68 -16.763 3.167 5.346 501 HB2 PRO 68 1HB PRO 68 -19.475 3.201 5.443 502 HB3 PRO 68 2HB PRO 68 -18.471 4.432 6.218 503 HG2 PRO 68 1HG PRO 68 -19.908 4.536 3.593 504 HG3 PRO 68 2HG PRO 68 -19.783 5.781 4.851 505 HD2 PRO 68 1HD PRO 68 -18.267 5.819 2.607 506 HD3 PRO 68 2HD PRO 68 -17.684 6.442 4.164 507 H SER 69 H SER 69 -16.499 1.087 4.859 508 HA SER 69 HA SER 69 -16.806 -0.988 3.979 509 HB2 SER 69 1HB SER 69 -19.167 -0.608 4.715 510 HB3 SER 69 2HB SER 69 -19.523 0.023 3.107 511 HG SER 69 HG SER 69 -18.453 -2.193 2.543 512 H THR 70 H THR 70 -15.524 1.019 2.428 513 HA THR 70 HA THR 70 -16.273 0.201 -0.304 514 HB THR 70 HB THR 70 -14.856 2.729 0.563 515 HG1 THR 70 1HG THR 70 -17.500 2.073 0.097 516 HG21 THR 70 1HG2 THR 70 -15.588 3.160 -1.998 517 HG22 THR 70 2HG2 THR 70 -15.247 1.430 -2.060 518 HG23 THR 70 3HG2 THR 70 -14.000 2.557 -1.526 519 H SER 71 H SER 71 -14.870 -1.050 -1.339 520 HA SER 71 HA SER 71 -12.407 -1.834 -0.178 521 HB2 SER 71 1HB SER 71 -13.788 -3.276 -1.680 522 HB3 SER 71 2HB SER 71 -13.320 -2.248 -3.035 523 HG SER 71 HG SER 71 -12.013 -4.310 -2.084 524 H TYR 72 H TYR 72 -10.329 -1.261 -0.620 525 HA TYR 72 HA TYR 72 -9.880 0.819 -2.647 526 HB2 TYR 72 1HB TYR 72 -9.122 0.880 0.259 527 HB3 TYR 72 2HB TYR 72 -8.181 1.773 -0.931 528 HD1 TYR 72 2HD TYR 72 -9.209 3.640 -2.176 529 HD2 TYR 72 1HD TYR 72 -11.301 1.619 0.930 530 HE1 TYR 72 2HE TYR 72 -10.812 5.501 -2.053 531 HE2 TYR 72 1HE TYR 72 -12.911 3.474 1.060 532 HH TYR 72 HH TYR 72 -13.735 5.318 -0.643 533 H ASN 73 H ASN 73 -7.977 0.687 -3.754 534 HA ASN 73 HA ASN 73 -6.251 -1.609 -3.098 535 HB2 ASN 73 1HB ASN 73 -7.643 -1.507 -5.317 536 HB3 ASN 73 2HB ASN 73 -6.370 -0.409 -5.843 537 HD21 ASN 73 1HD2 ASN 73 -4.478 -1.222 -6.504 538 HD22 ASN 73 2HD2 ASN 73 -4.061 -2.898 -6.472 539 H ALA 74 H ALA 74 -4.543 -0.808 -2.031 540 HA ALA 74 HA ALA 74 -3.311 1.683 -2.960 541 HB1 ALA 74 1HB ALA 74 -3.920 1.110 -0.483 542 HB2 ALA 74 2HB ALA 74 -2.391 0.231 -0.522 543 HB3 ALA 74 3HB ALA 74 -2.422 1.962 -0.858 544 H ARG 75 H ARG 75 -0.928 1.780 -3.034 545 HA ARG 75 HA ARG 75 0.403 -0.764 -3.564 546 HB2 ARG 75 1HB ARG 75 -0.219 1.313 -5.590 547 HB3 ARG 75 2HB ARG 75 1.393 0.613 -5.648 548 HG2 ARG 75 1HG ARG 75 0.007 -1.642 -5.487 549 HG3 ARG 75 2HG ARG 75 -1.236 -0.623 -6.214 550 HD2 ARG 75 1HD ARG 75 1.495 -0.525 -7.375 551 HD3 ARG 75 2HD ARG 75 0.526 -1.968 -7.675 552 HE ARG 75 HE ARG 75 0.140 0.635 -8.805 553 HH11 ARG 75 2HH1 ARG 75 -1.451 -2.321 -7.884 554 HH12 ARG 75 1HH1 ARG 75 -2.755 -2.122 -9.008 555 HH21 ARG 75 2HH2 ARG 75 -1.571 0.908 -10.289 556 HH22 ARG 75 1HH2 ARG 75 -2.821 -0.286 -10.376 557 H LEU 76 H LEU 76 2.687 -0.657 -3.471 558 HA LEU 76 HA LEU 76 3.750 1.850 -2.346 559 HB2 LEU 76 1HB LEU 76 3.395 -0.021 -0.688 560 HB3 LEU 76 2HB LEU 76 4.642 -0.914 -1.556 561 HG LEU 76 HG LEU 76 6.183 1.047 -1.048 562 HD11 LEU 76 1HD1 LEU 76 4.766 1.784 1.345 563 HD12 LEU 76 2HD1 LEU 76 3.811 2.163 -0.088 564 HD13 LEU 76 3HD1 LEU 76 5.443 2.809 0.079 565 HD21 LEU 76 1HD2 LEU 76 5.102 -0.872 0.977 566 HD22 LEU 76 2HD2 LEU 76 6.364 0.278 1.420 567 HD23 LEU 76 3HD2 LEU 76 6.648 -0.891 0.130 568 H GLN 77 H GLN 77 4.878 2.643 -4.035 569 HA GLN 77 HA GLN 77 6.881 0.869 -5.270 570 HB2 GLN 77 1HB GLN 77 4.883 1.944 -6.647 571 HB3 GLN 77 2HB GLN 77 5.957 3.336 -6.669 572 HG2 GLN 77 1HG GLN 77 7.709 1.514 -7.440 573 HG3 GLN 77 2HG GLN 77 6.245 0.692 -7.977 574 HE21 GLN 77 1HE2 GLN 77 6.582 0.908 -10.139 575 HE22 GLN 77 2HE2 GLN 77 6.575 2.426 -10.963 576 H ALA 78 H ALA 78 8.911 1.366 -4.811 577 HA ALA 78 HA ALA 78 9.522 4.091 -3.885 578 HB1 ALA 78 1HB ALA 78 10.221 1.516 -2.884 579 HB2 ALA 78 2HB ALA 78 11.693 2.363 -3.358 580 HB3 ALA 78 3HB ALA 78 10.582 3.104 -2.206 581 H MET 79 H MET 79 11.431 5.132 -4.609 582 HA MET 79 HA MET 79 12.143 4.407 -7.341 583 HB2 MET 79 1HB MET 79 13.019 6.855 -5.811 584 HB3 MET 79 2HB MET 79 13.022 6.619 -7.553 585 HG2 MET 79 1HG MET 79 10.511 6.429 -7.406 586 HG3 MET 79 2HG MET 79 10.658 6.990 -5.742 587 HE1 MET 79 1HE MET 79 9.447 9.177 -5.696 588 HE2 MET 79 2HE MET 79 11.062 9.421 -5.030 589 HE3 MET 79 3HE MET 79 10.361 10.627 -6.111 590 H TRP 80 H TRP 80 13.930 3.318 -7.798 591 HA TRP 80 HA TRP 80 16.163 3.415 -5.876 592 HB2 TRP 80 1HB TRP 80 14.965 1.124 -7.385 593 HB3 TRP 80 2HB TRP 80 16.679 1.087 -6.984 594 HD1 TRP 80 HD TRP 80 17.330 0.888 -4.386 595 HE1 TRP 80 1HE TRP 80 15.991 0.062 -2.348 596 HE3 TRP 80 3HE TRP 80 12.626 1.055 -6.383 597 HZ2 TRP 80 2HZ TRP 80 13.298 -0.452 -1.677 598 HZ3 TRP 80 3HZ TRP 80 10.723 0.380 -4.976 599 HH2 TRP 80 HH TRP 80 11.054 -0.358 -2.673 600 H GLY 81 H GLY 81 17.447 4.927 -6.835 601 HA2 GLY 81 1HA GLY 81 18.598 6.007 -8.555 602 HA3 GLY 81 2HA GLY 81 19.339 4.415 -8.632 603 H GLN 82 H GLN 82 16.959 6.550 -10.050 604 HA GLN 82 HA GLN 82 15.786 6.466 -12.011 605 HB2 GLN 82 1HB GLN 82 18.548 5.532 -12.672 606 HB3 GLN 82 2HB GLN 82 17.317 5.510 -13.928 607 HG2 GLN 82 1HG GLN 82 17.183 7.780 -14.037 608 HG3 GLN 82 2HG GLN 82 17.652 8.000 -12.352 609 HE21 GLN 82 1HE2 GLN 82 18.807 9.647 -14.032 610 HE22 GLN 82 2HE2 GLN 82 20.449 9.213 -14.348 611 H SER 83 H SER 83 15.097 4.352 -10.364 612 HA SER 83 HA SER 83 14.242 2.405 -12.345 613 HB2 SER 83 1HB SER 83 15.375 1.279 -9.813 614 HB3 SER 83 2HB SER 83 15.182 0.514 -11.390 615 HG SER 83 HG SER 83 16.884 1.872 -12.144 616 H LEU 84 H LEU 84 12.372 1.273 -11.760 617 HA LEU 84 HA LEU 84 11.074 2.199 -9.283 618 HB2 LEU 84 1HB LEU 84 9.907 1.814 -12.028 619 HB3 LEU 84 2HB LEU 84 8.916 1.950 -10.577 620 HG LEU 84 HG LEU 84 10.751 4.069 -11.695 621 HD11 LEU 84 1HD1 LEU 84 8.948 4.275 -13.053 622 HD12 LEU 84 2HD1 LEU 84 8.339 5.193 -11.676 623 HD13 LEU 84 3HD1 LEU 84 7.850 3.514 -11.901 624 HD21 LEU 84 1HD2 LEU 84 10.808 4.334 -9.358 625 HD22 LEU 84 2HD2 LEU 84 9.095 3.948 -9.189 626 HD23 LEU 84 3HD2 LEU 84 9.587 5.473 -9.926 627 H LEU 85 H LEU 85 11.901 0.257 -8.294 628 HA LEU 85 HA LEU 85 11.620 -2.335 -9.071 629 HB2 LEU 85 1HB LEU 85 11.250 -1.117 -6.346 630 HB3 LEU 85 2HB LEU 85 11.280 -2.858 -6.617 631 HG LEU 85 HG LEU 85 13.540 -0.931 -7.150 632 HD11 LEU 85 1HD1 LEU 85 13.672 -3.180 -5.210 633 HD12 LEU 85 2HD1 LEU 85 12.825 -1.707 -4.740 634 HD13 LEU 85 3HD1 LEU 85 14.522 -1.634 -5.212 635 HD21 LEU 85 1HD2 LEU 85 14.387 -3.623 -7.153 636 HD22 LEU 85 2HD2 LEU 85 14.399 -2.474 -8.491 637 HD23 LEU 85 3HD2 LEU 85 12.997 -3.514 -8.233 638 HA PRO 86 HA PRO 86 7.366 -3.379 -9.352 639 HB2 PRO 86 1HB PRO 86 7.371 -5.939 -8.446 640 HB3 PRO 86 2HB PRO 86 8.039 -5.474 -10.015 641 HG2 PRO 86 1HG PRO 86 9.457 -5.981 -7.428 642 HG3 PRO 86 2HG PRO 86 9.902 -6.492 -9.067 643 HD2 PRO 86 1HD PRO 86 11.047 -4.365 -7.842 644 HD3 PRO 86 2HD PRO 86 10.800 -4.437 -9.599 645 HA PRO 87 HA PRO 87 6.098 -2.365 -5.131 646 HB2 PRO 87 1HB PRO 87 3.663 -1.411 -5.859 647 HB3 PRO 87 2HB PRO 87 5.146 -0.458 -5.989 648 HG2 PRO 87 1HG PRO 87 3.683 -1.984 -8.109 649 HG3 PRO 87 2HG PRO 87 4.413 -0.371 -8.194 650 HD2 PRO 87 1HD PRO 87 5.627 -2.574 -9.197 651 HD3 PRO 87 2HD PRO 87 6.536 -1.210 -8.514 652 H VAL 88 H VAL 88 3.854 -2.776 -4.025 653 HA VAL 88 HA VAL 88 2.831 -5.405 -4.872 654 HB VAL 88 HB VAL 88 2.545 -5.890 -2.387 655 HG11 VAL 88 1HG1 VAL 88 4.245 -6.931 -3.883 656 HG12 VAL 88 2HG1 VAL 88 5.387 -5.688 -3.370 657 HG13 VAL 88 3HG1 VAL 88 4.739 -6.831 -2.194 658 HG21 VAL 88 1HG2 VAL 88 3.208 -3.349 -1.969 659 HG22 VAL 88 2HG2 VAL 88 3.537 -4.613 -0.785 660 HG23 VAL 88 3HG2 VAL 88 4.818 -4.059 -1.863 661 H SER 89 H SER 89 0.699 -5.464 -5.112 662 HA SER 89 HA SER 89 -0.893 -3.242 -4.062 663 HB2 SER 89 1HB SER 89 -2.581 -3.889 -5.687 664 HB3 SER 89 2HB SER 89 -1.017 -3.760 -6.493 665 HG SER 89 HG SER 89 -1.126 -5.800 -6.968 666 H THR 90 H THR 90 -2.479 -3.496 -2.590 667 HA THR 90 HA THR 90 -3.285 -6.211 -1.828 668 HB THR 90 HB THR 90 -1.463 -5.369 -0.288 669 HG1 THR 90 1HG THR 90 -4.012 -6.237 0.472 670 HG21 THR 90 1HG2 THR 90 -2.261 -3.004 -0.261 671 HG22 THR 90 2HG2 THR 90 -2.002 -3.686 1.345 672 HG23 THR 90 3HG2 THR 90 -3.638 -3.528 0.706 673 H SER 91 H SER 91 -5.421 -6.391 -1.671 674 HA SER 91 HA SER 91 -7.053 -3.984 -1.754 675 HB2 SER 91 1HB SER 91 -8.929 -5.596 -2.140 676 HB3 SER 91 2HB SER 91 -7.633 -5.724 -3.330 677 HG SER 91 HG SER 91 -8.430 -7.757 -2.422 678 H PHE 92 H PHE 92 -8.204 -3.203 -0.102 679 HA PHE 92 HA PHE 92 -8.718 -4.907 2.224 680 HB2 PHE 92 1HB PHE 92 -7.949 -3.207 3.777 681 HB3 PHE 92 2HB PHE 92 -6.641 -3.628 2.676 682 HD1 PHE 92 1HD PHE 92 -6.179 -2.092 0.720 683 HD2 PHE 92 2HD PHE 92 -8.676 -1.000 3.990 684 HE1 PHE 92 1HE PHE 92 -5.910 0.282 0.129 685 HE2 PHE 92 2HE PHE 92 -8.412 1.374 3.403 686 HZ PHE 92 HZ PHE 92 -7.028 2.018 1.470 687 H THR 93 H THR 93 -10.660 -4.574 3.168 688 HA THR 93 HA THR 93 -12.357 -2.483 1.991 689 HB THR 93 HB THR 93 -13.231 -4.947 3.510 690 HG1 THR 93 1HG THR 93 -13.933 -5.421 1.178 691 HG21 THR 93 1HG2 THR 93 -15.418 -4.410 2.358 692 HG22 THR 93 2HG2 THR 93 -14.717 -2.848 1.939 693 HG23 THR 93 3HG2 THR 93 -14.932 -3.292 3.632 694 H THR 94 H THR 94 -13.282 -0.936 3.216 695 HA THR 94 HA THR 94 -12.362 -0.635 5.936 696 HB THR 94 HB THR 94 -13.567 1.529 5.875 697 HG1 THR 94 1HG THR 94 -14.849 2.040 4.221 698 HG21 THR 94 1HG2 THR 94 -11.552 2.148 5.120 699 HG22 THR 94 2HG2 THR 94 -12.272 2.141 3.510 700 HG23 THR 94 3HG2 THR 94 -11.411 0.719 4.098 701 H GLY 95 H GLY 95 -13.880 -0.033 7.689 702 HA2 GLY 95 1HA GLY 95 -15.943 -2.014 7.911 703 HA3 GLY 95 2HA GLY 95 -15.516 -0.813 9.120 704 H GLY 96 H GLY 96 -17.625 -0.250 9.612 705 HA2 GLY 96 1HA GLY 96 -18.899 1.471 7.615 706 HA3 GLY 96 2HA GLY 96 -19.849 0.149 8.276 707 H LEU 97 H LEU 97 -20.412 2.967 8.468 708 HA LEU 97 HA LEU 97 -19.787 3.767 11.170 709 HB2 LEU 97 1HB LEU 97 -21.693 4.996 9.186 710 HB3 LEU 97 2HB LEU 97 -21.131 5.735 10.684 711 HG LEU 97 HG LEU 97 -19.232 4.992 8.476 712 HD11 LEU 97 1HD1 LEU 97 -21.241 6.666 7.954 713 HD12 LEU 97 2HD1 LEU 97 -19.613 6.900 7.319 714 HD13 LEU 97 3HD1 LEU 97 -20.140 7.794 8.745 715 HD21 LEU 97 1HD2 LEU 97 -18.697 5.683 10.996 716 HD22 LEU 97 2HD2 LEU 97 -18.853 7.295 10.299 717 HD23 LEU 97 3HD2 LEU 97 -17.675 6.160 9.640 718 H ARG 98 H ARG 98 -21.010 1.355 11.322 719 HA ARG 98 HA ARG 98 -23.321 1.970 12.915 720 HB2 ARG 98 1HB ARG 98 -24.057 1.694 10.420 721 HB3 ARG 98 2HB ARG 98 -23.824 -0.020 10.732 722 HG2 ARG 98 1HG ARG 98 -26.059 0.241 11.186 723 HG3 ARG 98 2HG ARG 98 -25.348 0.420 12.791 724 HD2 ARG 98 1HD ARG 98 -25.284 2.954 12.159 725 HD3 ARG 98 2HD ARG 98 -26.520 2.493 10.989 726 HE ARG 98 HE ARG 98 -27.396 1.431 13.339 727 HH11 ARG 98 2HH1 ARG 98 -26.455 4.615 12.293 728 HH12 ARG 98 1HH1 ARG 98 -27.523 5.432 13.387 729 HH21 ARG 98 2HH2 ARG 98 -28.805 2.494 14.783 730 HH22 ARG 98 1HH2 ARG 98 -28.858 4.224 14.803 731 H ILE 99 H ILE 99 -23.137 0.746 14.663 732 HA ILE 99 HA ILE 99 -21.344 -1.472 14.768 733 HB ILE 99 HB ILE 99 -23.343 -0.485 16.806 734 HG12 ILE 99 1HG1 ILE 99 -21.044 0.204 17.881 735 HG13 ILE 99 2HG1 ILE 99 -20.469 0.123 16.219 736 HG21 ILE 99 1HG2 ILE 99 -22.868 -2.244 18.072 737 HG22 ILE 99 2HG2 ILE 99 -21.968 -2.932 16.721 738 HG23 ILE 99 3HG2 ILE 99 -21.138 -1.937 17.917 739 HD11 ILE 99 1HD1 ILE 99 -21.283 2.374 17.158 740 HD12 ILE 99 2HD1 ILE 99 -21.798 1.890 15.542 741 HD13 ILE 99 3HD1 ILE 99 -22.900 1.716 16.908 742 H SER 100 H SER 100 -21.736 -3.582 14.529 743 HA SER 100 HA SER 100 -24.397 -4.427 13.762 744 HB2 SER 100 1HB SER 100 -21.784 -5.949 13.911 745 HB3 SER 100 2HB SER 100 -23.294 -6.602 13.276 746 HG SER 100 HG SER 100 -22.070 -4.254 12.268 747 H GLY 101 H GLY 101 -24.805 -3.722 16.221 748 HA2 GLY 101 1HA GLY 101 -25.587 -4.435 18.258 749 HA3 GLY 101 2HA GLY 101 -25.665 -6.042 17.549 750 HA PRO 102 HA PRO 102 -22.166 -5.514 20.774 751 HB2 PRO 102 1HB PRO 102 -23.409 -6.535 22.961 752 HB3 PRO 102 2HB PRO 102 -23.413 -4.811 22.572 753 HG2 PRO 102 1HG PRO 102 -25.529 -6.869 22.075 754 HG3 PRO 102 2HG PRO 102 -25.701 -5.209 22.673 755 HD2 PRO 102 1HD PRO 102 -26.190 -5.889 20.098 756 HD3 PRO 102 2HD PRO 102 -25.549 -4.299 20.560 757 H SER 103 H SER 103 -20.875 -7.143 20.168 758 HA SER 103 HA SER 103 -21.795 -9.787 19.664 759 HB2 SER 103 1HB SER 103 -18.974 -8.742 20.015 760 HB3 SER 103 2HB SER 103 -19.400 -10.329 19.374 761 HG SER 103 HG SER 103 -20.562 -8.096 18.175 762 H SER 104 H SER 104 -21.905 -11.520 20.956 763 HA SER 104 HA SER 104 -20.511 -11.500 23.527 764 HB2 SER 104 1HB SER 104 -22.793 -10.583 23.924 765 HB3 SER 104 2HB SER 104 -23.474 -12.080 23.286 766 HG SER 104 HG SER 104 -21.730 -11.907 25.521 767 H GLY 105 H GLY 105 -19.992 -13.523 24.319 768 HA2 GLY 105 1HA GLY 105 -20.779 -15.812 22.625 769 HA3 GLY 105 2HA GLY 105 -19.114 -15.575 23.135 Start of MODEL 8 1 H1 GLY 1 H GLY 1 20.350 -13.076 -24.922 2 HA2 GLY 1 1HA GLY 1 22.715 -13.055 -23.392 3 HA3 GLY 1 2HA GLY 1 21.457 -11.828 -23.346 4 H SER 2 H SER 2 23.150 -13.359 -21.279 5 HA SER 2 HA SER 2 21.058 -14.587 -19.667 6 HB2 SER 2 1HB SER 2 24.038 -14.306 -19.219 7 HB3 SER 2 2HB SER 2 22.938 -15.126 -18.111 8 HG SER 2 HG SER 2 22.361 -16.337 -20.186 9 H SER 3 H SER 3 19.963 -13.525 -18.163 10 HA SER 3 HA SER 3 20.910 -10.875 -17.341 11 HB2 SER 3 1HB SER 3 18.577 -11.230 -18.315 12 HB3 SER 3 2HB SER 3 18.180 -12.049 -16.804 13 HG SER 3 HG SER 3 19.190 -9.920 -15.931 14 H GLY 4 H GLY 4 21.588 -10.468 -15.329 15 HA2 GLY 4 1HA GLY 4 21.599 -12.680 -13.420 16 HA3 GLY 4 2HA GLY 4 22.554 -11.209 -13.311 17 H SER 5 H SER 5 21.955 -10.897 -11.145 18 HA SER 5 HA SER 5 19.118 -10.337 -10.648 19 HB2 SER 5 1HB SER 5 20.157 -11.904 -9.089 20 HB3 SER 5 2HB SER 5 21.413 -10.726 -8.710 21 HG SER 5 HG SER 5 19.521 -10.897 -7.236 22 H SER 6 H SER 6 18.654 -8.472 -9.183 23 HA SER 6 HA SER 6 20.066 -6.130 -10.177 24 HB2 SER 6 1HB SER 6 17.421 -6.644 -8.911 25 HB3 SER 6 2HB SER 6 18.136 -5.050 -8.673 26 HG SER 6 HG SER 6 17.856 -4.603 -10.728 27 H GLY 7 H GLY 7 19.814 -8.022 -7.304 28 HA2 GLY 7 1HA GLY 7 21.503 -7.870 -5.613 29 HA3 GLY 7 2HA GLY 7 21.654 -6.156 -5.968 30 H LEU 8 H LEU 8 19.890 -4.744 -5.313 31 HA LEU 8 HA LEU 8 19.133 -5.119 -2.657 32 HB2 LEU 8 1HB LEU 8 18.035 -3.095 -2.806 33 HB3 LEU 8 2HB LEU 8 19.239 -2.976 -4.088 34 HG LEU 8 HG LEU 8 16.279 -3.459 -4.379 35 HD11 LEU 8 1HD1 LEU 8 16.312 -1.227 -4.436 36 HD12 LEU 8 2HD1 LEU 8 17.034 -1.413 -6.034 37 HD13 LEU 8 3HD1 LEU 8 18.064 -1.164 -4.625 38 HD21 LEU 8 1HD2 LEU 8 17.790 -4.855 -5.904 39 HD22 LEU 8 2HD2 LEU 8 18.233 -3.321 -6.653 40 HD23 LEU 8 3HD2 LEU 8 16.552 -3.856 -6.666 41 H GLU 9 H GLU 9 16.717 -4.894 -1.977 42 HA GLU 9 HA GLU 9 15.135 -6.875 -3.479 43 HB2 GLU 9 1HB GLU 9 15.329 -6.566 -0.477 44 HB3 GLU 9 2HB GLU 9 14.237 -7.663 -1.311 45 HG2 GLU 9 1HG GLU 9 16.068 -8.942 -2.165 46 HG3 GLU 9 2HG GLU 9 17.233 -7.772 -1.546 47 H ALA 10 H ALA 10 12.752 -6.802 -2.613 48 HA ALA 10 HA ALA 10 11.941 -3.969 -2.604 49 HB1 ALA 10 1HB ALA 10 11.091 -6.222 -4.196 50 HB2 ALA 10 2HB ALA 10 9.728 -5.478 -3.359 51 HB3 ALA 10 3HB ALA 10 10.757 -4.503 -4.408 52 HA PRO 11 HA PRO 11 9.721 -4.396 1.158 53 HB2 PRO 11 1HB PRO 11 7.336 -3.205 0.648 54 HB3 PRO 11 2HB PRO 11 8.846 -2.301 0.809 55 HG2 PRO 11 1HG PRO 11 7.413 -3.168 -1.672 56 HG3 PRO 11 2HG PRO 11 8.187 -1.614 -1.312 57 HD2 PRO 11 1HD PRO 11 9.375 -3.515 -2.830 58 HD3 PRO 11 2HD PRO 11 10.296 -2.410 -1.791 59 H ARG 12 H ARG 12 8.542 -5.899 2.207 60 HA ARG 12 HA ARG 12 6.488 -7.376 0.712 61 HB2 ARG 12 1HB ARG 12 7.286 -9.489 1.643 62 HB3 ARG 12 2HB ARG 12 8.543 -8.714 0.688 63 HG2 ARG 12 1HG ARG 12 9.837 -8.236 2.525 64 HG3 ARG 12 2HG ARG 12 8.463 -8.262 3.632 65 HD2 ARG 12 1HD ARG 12 9.752 -10.209 4.074 66 HD3 ARG 12 2HD ARG 12 8.301 -10.731 3.218 67 HE ARG 12 HE ARG 12 9.608 -11.354 1.422 68 HH11 ARG 12 2HH1 ARG 12 11.512 -9.571 3.728 69 HH12 ARG 12 1HH1 ARG 12 13.024 -9.967 2.981 70 HH21 ARG 12 2HH2 ARG 12 11.592 -11.882 0.429 71 HH22 ARG 12 1HH2 ARG 12 13.069 -11.280 1.104 72 H ASP 13 H ASP 13 5.327 -8.928 2.365 73 HA ASP 13 HA ASP 13 3.900 -9.091 4.129 74 HB2 ASP 13 1HB ASP 13 6.094 -7.515 5.488 75 HB3 ASP 13 2HB ASP 13 4.718 -8.221 6.332 76 H LEU 14 H LEU 14 3.128 -7.247 2.332 77 HA LEU 14 HA LEU 14 2.500 -4.772 3.737 78 HB2 LEU 14 1HB LEU 14 3.200 -4.469 1.493 79 HB3 LEU 14 2HB LEU 14 2.088 -5.706 0.909 80 HG LEU 14 HG LEU 14 0.256 -4.062 1.796 81 HD11 LEU 14 1HD1 LEU 14 2.024 -2.573 2.820 82 HD12 LEU 14 2HD1 LEU 14 0.825 -1.774 1.803 83 HD13 LEU 14 3HD1 LEU 14 2.442 -2.094 1.175 84 HD21 LEU 14 1HD2 LEU 14 -0.137 -3.890 -0.380 85 HD22 LEU 14 2HD2 LEU 14 1.467 -4.554 -0.691 86 HD23 LEU 14 3HD2 LEU 14 1.241 -2.807 -0.584 87 H GLU 15 H GLU 15 0.887 -5.031 5.170 88 HA GLU 15 HA GLU 15 -1.650 -6.115 4.152 89 HB2 GLU 15 1HB GLU 15 -0.609 -7.786 5.620 90 HB3 GLU 15 2HB GLU 15 -0.493 -6.591 6.904 91 HG2 GLU 15 1HG GLU 15 -2.371 -7.758 7.513 92 HG3 GLU 15 2HG GLU 15 -3.063 -6.407 6.617 93 H ALA 16 H ALA 16 -3.533 -5.158 4.959 94 HA ALA 16 HA ALA 16 -3.200 -2.420 5.803 95 HB1 ALA 16 1HB ALA 16 -5.890 -2.847 5.833 96 HB2 ALA 16 2HB ALA 16 -4.961 -2.350 4.418 97 HB3 ALA 16 3HB ALA 16 -5.347 -4.053 4.666 98 H LYS 17 H LYS 17 -3.344 -1.659 7.812 99 HA LYS 17 HA LYS 17 -4.537 -3.385 9.882 100 HB2 LYS 17 1HB LYS 17 -2.112 -1.595 10.141 101 HB3 LYS 17 2HB LYS 17 -2.868 -2.469 11.467 102 HG2 LYS 17 1HG LYS 17 -2.428 -4.572 10.057 103 HG3 LYS 17 2HG LYS 17 -1.315 -3.548 9.147 104 HD2 LYS 17 1HD LYS 17 0.016 -3.137 11.067 105 HD3 LYS 17 2HD LYS 17 -1.201 -3.829 12.143 106 HE2 LYS 17 1HE LYS 17 -0.838 -6.028 11.085 107 HE3 LYS 17 2HE LYS 17 0.424 -5.316 10.080 108 HZ1 LYS 17 1HZ LYS 17 0.546 -6.193 12.802 109 HZ2 LYS 17 2HZ LYS 17 1.127 -4.615 12.616 110 HZ3 LYS 17 3HZ LYS 17 1.803 -5.877 11.714 111 H GLU 18 H GLU 18 -5.199 -2.144 11.858 112 HA GLU 18 HA GLU 18 -6.734 -0.661 12.690 113 HB2 GLU 18 1HB GLU 18 -4.804 1.312 11.457 114 HB3 GLU 18 2HB GLU 18 -5.932 1.641 12.764 115 HG2 GLU 18 1HG GLU 18 -3.748 -0.409 12.969 116 HG3 GLU 18 2HG GLU 18 -3.536 1.279 13.431 117 H VAL 19 H VAL 19 -7.481 -1.645 10.154 118 HA VAL 19 HA VAL 19 -8.261 0.397 8.361 119 HB VAL 19 HB VAL 19 -9.429 -2.364 8.745 120 HG11 VAL 19 1HG1 VAL 19 -10.127 -0.154 6.956 121 HG12 VAL 19 2HG1 VAL 19 -9.855 -1.694 6.138 122 HG13 VAL 19 3HG1 VAL 19 -11.059 -1.576 7.422 123 HG21 VAL 19 1HG2 VAL 19 -7.111 -2.517 8.177 124 HG22 VAL 19 2HG2 VAL 19 -8.047 -2.887 6.729 125 HG23 VAL 19 3HG2 VAL 19 -7.287 -1.306 6.907 126 H THR 20 H THR 20 -9.882 1.805 8.443 127 HA THR 20 HA THR 20 -12.268 1.202 10.016 128 HB THR 20 HB THR 20 -12.049 3.758 10.757 129 HG1 THR 20 1HG THR 20 -9.781 3.523 9.679 130 HG21 THR 20 1HG2 THR 20 -10.585 2.586 12.755 131 HG22 THR 20 2HG2 THR 20 -11.347 1.195 11.985 132 HG23 THR 20 3HG2 THR 20 -12.340 2.514 12.605 133 HA PRO 21 HA PRO 21 -14.428 3.214 6.768 134 HB2 PRO 21 1HB PRO 21 -16.494 4.372 8.094 135 HB3 PRO 21 2HB PRO 21 -16.375 2.627 7.838 136 HG2 PRO 21 1HG PRO 21 -15.680 4.237 10.264 137 HG3 PRO 21 2HG PRO 21 -16.533 2.686 10.157 138 HD2 PRO 21 1HD PRO 21 -13.913 2.865 10.819 139 HD3 PRO 21 2HD PRO 21 -14.580 1.485 9.924 140 H ARG 22 H ARG 22 -12.661 4.916 8.968 141 HA ARG 22 HA ARG 22 -13.316 7.492 7.693 142 HB2 ARG 22 1HB ARG 22 -12.637 6.817 10.527 143 HB3 ARG 22 2HB ARG 22 -12.176 8.389 9.889 144 HG2 ARG 22 1HG ARG 22 -14.648 8.554 9.155 145 HG3 ARG 22 2HG ARG 22 -14.905 7.257 10.323 146 HD2 ARG 22 1HD ARG 22 -15.268 9.136 11.612 147 HD3 ARG 22 2HD ARG 22 -13.566 8.802 11.929 148 HE ARG 22 HE ARG 22 -13.000 10.734 10.811 149 HH11 ARG 22 2HH1 ARG 22 -16.368 10.013 10.304 150 HH12 ARG 22 1HH1 ARG 22 -16.723 11.548 9.584 151 HH21 ARG 22 2HH2 ARG 22 -13.455 12.759 9.864 152 HH22 ARG 22 1HH2 ARG 22 -15.065 13.109 9.333 153 H THR 23 H THR 23 -10.842 5.253 8.688 154 HA THR 23 HA THR 23 -8.936 6.581 6.946 155 HB THR 23 HB THR 23 -7.141 6.587 8.651 156 HG1 THR 23 1HG THR 23 -9.228 5.574 10.210 157 HG21 THR 23 1HG2 THR 23 -7.925 8.565 9.897 158 HG22 THR 23 2HG2 THR 23 -9.572 8.233 9.362 159 HG23 THR 23 3HG2 THR 23 -8.330 8.657 8.184 160 H ALA 24 H ALA 24 -6.806 5.273 6.943 161 HA ALA 24 HA ALA 24 -7.045 2.487 7.643 162 HB1 ALA 24 1HB ALA 24 -8.345 2.730 5.500 163 HB2 ALA 24 2HB ALA 24 -6.821 3.145 4.715 164 HB3 ALA 24 3HB ALA 24 -7.026 1.560 5.461 165 H LEU 25 H LEU 25 -5.095 1.937 8.337 166 HA LEU 25 HA LEU 25 -2.751 3.314 7.222 167 HB2 LEU 25 1HB LEU 25 -2.933 3.611 9.578 168 HB3 LEU 25 2HB LEU 25 -3.204 1.888 9.833 169 HG LEU 25 HG LEU 25 -0.777 1.727 8.778 170 HD11 LEU 25 1HD1 LEU 25 -1.076 4.467 8.879 171 HD12 LEU 25 2HD1 LEU 25 0.444 3.587 8.722 172 HD13 LEU 25 3HD1 LEU 25 -0.118 4.099 10.314 173 HD21 LEU 25 1HD2 LEU 25 0.117 1.698 11.048 174 HD22 LEU 25 2HD2 LEU 25 -1.452 0.895 10.973 175 HD23 LEU 25 3HD2 LEU 25 -1.326 2.526 11.634 176 H LEU 26 H LEU 26 -1.282 2.235 6.068 177 HA LEU 26 HA LEU 26 -1.530 -0.695 5.927 178 HB2 LEU 26 1HB LEU 26 -0.926 1.403 3.919 179 HB3 LEU 26 2HB LEU 26 -0.116 -0.152 3.738 180 HG LEU 26 HG LEU 26 -3.076 -0.124 4.077 181 HD11 LEU 26 1HD1 LEU 26 -2.623 -0.085 1.327 182 HD12 LEU 26 2HD1 LEU 26 -1.693 1.269 1.969 183 HD13 LEU 26 3HD1 LEU 26 -3.422 1.153 2.296 184 HD21 LEU 26 1HD2 LEU 26 -1.646 -1.775 2.083 185 HD22 LEU 26 2HD2 LEU 26 -2.968 -2.197 3.172 186 HD23 LEU 26 3HD2 LEU 26 -1.314 -2.114 3.781 187 H THR 27 H THR 27 0.089 -1.877 6.689 188 HA THR 27 HA THR 27 2.661 -0.553 7.219 189 HB THR 27 HB THR 27 3.076 -2.175 8.931 190 HG1 THR 27 1HG THR 27 0.696 -3.453 8.013 191 HG21 THR 27 1HG2 THR 27 1.340 -0.274 9.285 192 HG22 THR 27 2HG2 THR 27 1.482 -1.544 10.501 193 HG23 THR 27 3HG2 THR 27 0.165 -1.589 9.329 194 H TRP 28 H TRP 28 4.555 -1.375 6.452 195 HA TRP 28 HA TRP 28 4.524 -3.926 5.027 196 HB2 TRP 28 1HB TRP 28 5.413 -3.042 3.000 197 HB3 TRP 28 2HB TRP 28 4.012 -2.053 3.403 198 HD1 TRP 28 HD TRP 28 7.874 -1.901 3.651 199 HE1 TRP 28 1HE TRP 28 8.582 0.570 3.513 200 HE3 TRP 28 3HE TRP 28 3.245 0.268 3.577 201 HZ2 TRP 28 2HZ TRP 28 7.342 3.103 3.389 202 HZ3 TRP 28 3HZ TRP 28 3.093 2.720 3.449 203 HH2 TRP 28 HH TRP 28 5.101 4.107 3.357 204 H THR 29 H THR 29 6.633 -4.805 4.646 205 HA THR 29 HA THR 29 8.499 -4.101 6.736 206 HB THR 29 HB THR 29 8.617 -6.269 4.631 207 HG1 THR 29 1HG THR 29 7.079 -6.178 6.635 208 HG21 THR 29 1HG2 THR 29 10.744 -5.225 6.058 209 HG22 THR 29 2HG2 THR 29 10.678 -6.820 5.309 210 HG23 THR 29 3HG2 THR 29 10.254 -6.626 7.009 211 H GLU 30 H GLU 30 10.302 -2.932 6.527 212 HA GLU 30 HA GLU 30 10.891 -1.669 4.014 213 HB2 GLU 30 1HB GLU 30 11.921 -1.456 6.808 214 HB3 GLU 30 2HB GLU 30 12.918 -0.836 5.499 215 HG2 GLU 30 1HG GLU 30 11.259 0.723 4.851 216 HG3 GLU 30 2HG GLU 30 10.052 -0.030 5.893 217 HA PRO 31 HA PRO 31 13.797 -4.665 2.563 218 HB2 PRO 31 1HB PRO 31 14.942 -3.143 0.628 219 HB3 PRO 31 2HB PRO 31 13.333 -3.856 0.463 220 HG2 PRO 31 1HG PRO 31 14.098 -1.064 1.226 221 HG3 PRO 31 2HG PRO 31 12.819 -1.613 0.128 222 HD2 PRO 31 1HD PRO 31 12.321 -0.843 2.676 223 HD3 PRO 31 2HD PRO 31 11.371 -2.098 1.854 224 HA PRO 32 HA PRO 32 17.749 -3.888 4.326 225 HB2 PRO 32 1HB PRO 32 19.464 -4.939 2.502 226 HB3 PRO 32 2HB PRO 32 18.425 -5.934 3.529 227 HG2 PRO 32 1HG PRO 32 18.034 -5.100 0.680 228 HG3 PRO 32 2HG PRO 32 17.759 -6.683 1.430 229 HD2 PRO 32 1HD PRO 32 15.747 -4.948 0.910 230 HD3 PRO 32 2HD PRO 32 15.716 -6.059 2.295 231 H VAL 33 H VAL 33 16.953 -2.486 1.306 232 HA VAL 33 HA VAL 33 19.176 -0.571 1.596 233 HB VAL 33 HB VAL 33 17.970 -1.657 -0.948 234 HG11 VAL 33 1HG1 VAL 33 18.388 0.290 -1.929 235 HG12 VAL 33 2HG1 VAL 33 19.063 0.947 -0.436 236 HG13 VAL 33 3HG1 VAL 33 20.098 0.065 -1.561 237 HG21 VAL 33 1HG2 VAL 33 20.876 -1.543 -0.621 238 HG22 VAL 33 2HG2 VAL 33 20.062 -2.593 0.539 239 HG23 VAL 33 3HG2 VAL 33 19.849 -2.858 -1.191 240 H ARG 34 H ARG 34 18.464 1.372 2.143 241 HA ARG 34 HA ARG 34 15.733 2.114 2.064 242 HB2 ARG 34 1HB ARG 34 17.338 3.011 3.710 243 HB3 ARG 34 2HB ARG 34 18.170 3.867 2.418 244 HG2 ARG 34 1HG ARG 34 15.913 4.997 1.976 245 HG3 ARG 34 2HG ARG 34 15.455 4.386 3.567 246 HD2 ARG 34 1HD ARG 34 16.272 6.612 3.845 247 HD3 ARG 34 2HD ARG 34 17.482 5.507 4.496 248 HE ARG 34 HE ARG 34 18.130 6.035 1.831 249 HH11 ARG 34 2HH1 ARG 34 17.942 7.698 4.884 250 HH12 ARG 34 1HH1 ARG 34 19.183 8.841 4.486 251 HH21 ARG 34 2HH2 ARG 34 19.764 7.533 1.296 252 HH22 ARG 34 1HH2 ARG 34 20.218 8.746 2.445 253 HA PRO 35 HA PRO 35 15.675 3.302 -2.243 254 HB2 PRO 35 1HB PRO 35 13.051 3.994 -2.283 255 HB3 PRO 35 2HB PRO 35 13.602 2.315 -2.334 256 HG2 PRO 35 1HG PRO 35 12.597 3.909 -0.008 257 HG3 PRO 35 2HG PRO 35 12.229 2.234 -0.459 258 HD2 PRO 35 1HD PRO 35 14.014 2.862 1.478 259 HD3 PRO 35 2HD PRO 35 14.188 1.426 0.448 260 H ALA 36 H ALA 36 15.051 5.260 -3.460 261 HA ALA 36 HA ALA 36 15.997 7.606 -2.185 262 HB1 ALA 36 1HB ALA 36 15.885 8.619 -4.254 263 HB2 ALA 36 2HB ALA 36 16.031 6.918 -4.695 264 HB3 ALA 36 3HB ALA 36 14.455 7.708 -4.741 265 H GLY 37 H GLY 37 12.782 6.384 -2.929 266 HA2 GLY 37 1HA GLY 37 11.611 8.185 -1.012 267 HA3 GLY 37 2HA GLY 37 11.175 8.566 -2.671 268 H TYR 38 H TYR 38 8.978 8.131 -1.955 269 HA TYR 38 HA TYR 38 8.295 5.341 -2.403 270 HB2 TYR 38 1HB TYR 38 7.899 6.761 0.181 271 HB3 TYR 38 2HB TYR 38 6.590 5.726 -0.379 272 HD1 TYR 38 2HD TYR 38 7.882 3.454 -1.559 273 HD2 TYR 38 1HD TYR 38 9.044 5.686 1.872 274 HE1 TYR 38 2HE TYR 38 9.063 1.482 -0.683 275 HE2 TYR 38 1HE TYR 38 10.229 3.721 2.757 276 HH TYR 38 HH TYR 38 10.688 1.565 2.472 277 H LEU 39 H LEU 39 6.469 5.126 -3.562 278 HA LEU 39 HA LEU 39 4.732 7.488 -3.843 279 HB2 LEU 39 1HB LEU 39 5.965 7.349 -5.855 280 HB3 LEU 39 2HB LEU 39 5.756 5.601 -5.946 281 HG LEU 39 HG LEU 39 3.242 6.154 -6.221 282 HD11 LEU 39 1HD1 LEU 39 2.607 8.260 -6.860 283 HD12 LEU 39 2HD1 LEU 39 4.224 8.704 -7.405 284 HD13 LEU 39 3HD1 LEU 39 3.861 8.645 -5.681 285 HD21 LEU 39 1HD2 LEU 39 5.182 5.489 -7.952 286 HD22 LEU 39 2HD2 LEU 39 4.713 7.053 -8.619 287 HD23 LEU 39 3HD2 LEU 39 3.510 5.776 -8.433 288 H LEU 40 H LEU 40 3.094 6.829 -2.519 289 HA LEU 40 HA LEU 40 1.986 4.158 -2.782 290 HB2 LEU 40 1HB LEU 40 2.260 5.308 -0.581 291 HB3 LEU 40 2HB LEU 40 1.014 6.449 -1.083 292 HG LEU 40 HG LEU 40 -0.453 4.320 -1.368 293 HD11 LEU 40 1HD1 LEU 40 0.503 2.391 -0.841 294 HD12 LEU 40 2HD1 LEU 40 0.646 2.956 0.823 295 HD13 LEU 40 3HD1 LEU 40 1.971 3.214 -0.312 296 HD21 LEU 40 1HD2 LEU 40 -0.500 6.219 0.400 297 HD22 LEU 40 2HD2 LEU 40 0.191 5.001 1.472 298 HD23 LEU 40 3HD2 LEU 40 -1.377 4.722 0.713 299 H SER 41 H SER 41 0.582 3.729 -4.340 300 HA SER 41 HA SER 41 -1.174 5.882 -5.305 301 HB2 SER 41 1HB SER 41 -0.357 3.287 -6.635 302 HB3 SER 41 2HB SER 41 -1.461 4.474 -7.330 303 HG SER 41 HG SER 41 0.622 4.820 -8.115 304 H PHE 42 H PHE 42 -3.095 5.851 -4.343 305 HA PHE 42 HA PHE 42 -4.445 3.254 -4.020 306 HB2 PHE 42 1HB PHE 42 -5.200 3.782 -1.899 307 HB3 PHE 42 2HB PHE 42 -3.612 4.543 -1.886 308 HD1 PHE 42 2HD PHE 42 -3.594 7.046 -2.715 309 HD2 PHE 42 1HD PHE 42 -7.009 5.006 -1.199 310 HE1 PHE 42 2HE PHE 42 -4.634 9.206 -2.160 311 HE2 PHE 42 1HE PHE 42 -8.054 7.163 -0.643 312 HZ PHE 42 HZ PHE 42 -6.867 9.266 -1.122 313 H HIS 43 H HIS 43 -6.492 3.113 -4.759 314 HA HIS 43 HA HIS 43 -8.085 5.471 -5.254 315 HB2 HIS 43 1HB HIS 43 -8.215 5.365 -7.583 316 HB3 HIS 43 2HB HIS 43 -6.504 5.084 -7.274 317 HD1 HIS 43 1HD HIS 43 -6.214 2.205 -6.841 318 HD2 HIS 43 2HD HIS 43 -8.987 3.699 -9.551 319 HE1 HIS 43 1HE HIS 43 -6.683 0.316 -8.434 320 HE2 HIS 43 2HE HIS 43 -8.299 1.270 -10.115 321 H THR 44 H THR 44 -10.280 4.958 -5.890 322 HA THR 44 HA THR 44 -11.110 2.383 -4.799 323 HB THR 44 HB THR 44 -12.350 4.141 -3.848 324 HG1 THR 44 1HG THR 44 -13.998 2.852 -4.216 325 HG21 THR 44 1HG2 THR 44 -12.669 5.195 -6.656 326 HG22 THR 44 2HG2 THR 44 -11.824 5.956 -5.309 327 HG23 THR 44 3HG2 THR 44 -13.581 5.805 -5.276 328 HA PRO 45 HA PRO 45 -11.991 0.571 -8.712 329 HB2 PRO 45 1HB PRO 45 -13.904 -1.203 -7.960 330 HB3 PRO 45 2HB PRO 45 -12.191 -1.419 -7.581 331 HG2 PRO 45 1HG PRO 45 -14.396 -0.365 -5.852 332 HG3 PRO 45 2HG PRO 45 -13.094 -1.496 -5.439 333 HD2 PRO 45 1HD PRO 45 -13.007 1.129 -4.781 334 HD3 PRO 45 2HD PRO 45 -11.548 0.191 -5.158 335 H GLY 46 H GLY 46 -12.918 2.404 -9.754 336 HA2 GLY 46 1HA GLY 46 -15.136 2.347 -11.092 337 HA3 GLY 46 2HA GLY 46 -15.836 2.678 -9.514 338 H GLY 47 H GLY 47 -13.096 4.246 -9.190 339 HA2 GLY 47 1HA GLY 47 -14.074 6.682 -10.549 340 HA3 GLY 47 2HA GLY 47 -13.466 6.705 -8.901 341 H GLN 48 H GLN 48 -12.006 8.364 -9.733 342 HA GLN 48 HA GLN 48 -9.961 7.571 -11.603 343 HB2 GLN 48 1HB GLN 48 -11.000 9.975 -10.947 344 HB3 GLN 48 2HB GLN 48 -9.561 9.983 -9.936 345 HG2 GLN 48 1HG GLN 48 -8.448 9.197 -12.224 346 HG3 GLN 48 2HG GLN 48 -9.819 10.093 -12.877 347 HE21 GLN 48 1HE2 GLN 48 -8.873 11.883 -13.633 348 HE22 GLN 48 2HE2 GLN 48 -7.936 12.983 -12.686 349 H THR 49 H THR 49 -7.628 8.467 -10.714 350 HA THR 49 HA THR 49 -7.107 6.878 -8.286 351 HB THR 49 HB THR 49 -5.175 7.366 -10.560 352 HG1 THR 49 1HG THR 49 -7.072 5.358 -10.085 353 HG21 THR 49 1HG2 THR 49 -4.388 5.122 -9.166 354 HG22 THR 49 2HG2 THR 49 -4.943 6.209 -7.893 355 HG23 THR 49 3HG2 THR 49 -3.685 6.731 -9.012 356 H GLN 50 H GLN 50 -5.603 7.654 -6.791 357 HA GLN 50 HA GLN 50 -4.768 10.453 -7.163 358 HB2 GLN 50 1HB GLN 50 -6.636 10.427 -5.622 359 HB3 GLN 50 2HB GLN 50 -5.872 9.167 -4.662 360 HG2 GLN 50 1HG GLN 50 -5.358 10.984 -3.401 361 HG3 GLN 50 2HG GLN 50 -3.950 10.948 -4.461 362 HE21 GLN 50 1HE2 GLN 50 -3.596 13.154 -4.163 363 HE22 GLN 50 2HE2 GLN 50 -4.591 14.349 -4.916 364 H GLU 51 H GLU 51 -2.673 10.846 -6.830 365 HA GLU 51 HA GLU 51 -1.041 8.687 -5.685 366 HB2 GLU 51 1HB GLU 51 -0.511 10.812 -7.724 367 HB3 GLU 51 2HB GLU 51 0.833 10.155 -6.800 368 HG2 GLU 51 1HG GLU 51 0.688 8.100 -7.778 369 HG3 GLU 51 2HG GLU 51 -1.037 8.254 -8.106 370 H ILE 52 H ILE 52 0.295 9.033 -3.975 371 HA ILE 52 HA ILE 52 0.347 11.746 -2.829 372 HB ILE 52 HB ILE 52 0.098 9.173 -1.265 373 HG12 ILE 52 1HG1 ILE 52 -1.893 11.397 -1.760 374 HG13 ILE 52 2HG1 ILE 52 -1.999 9.750 -2.370 375 HG21 ILE 52 1HG2 ILE 52 -0.395 11.687 0.120 376 HG22 ILE 52 2HG2 ILE 52 0.591 10.305 0.596 377 HG23 ILE 52 3HG2 ILE 52 1.257 11.537 -0.477 378 HD11 ILE 52 1HD1 ILE 52 -1.863 10.245 0.568 379 HD12 ILE 52 2HD1 ILE 52 -3.384 10.446 -0.303 380 HD13 ILE 52 3HD1 ILE 52 -2.562 8.886 -0.312 381 H LEU 53 H LEU 53 2.332 12.502 -2.543 382 HA LEU 53 HA LEU 53 4.626 10.838 -2.966 383 HB2 LEU 53 1HB LEU 53 4.201 13.391 -3.473 384 HB3 LEU 53 2HB LEU 53 4.851 13.589 -1.847 385 HG LEU 53 HG LEU 53 6.384 12.004 -3.864 386 HD11 LEU 53 1HD1 LEU 53 6.202 13.834 -5.214 387 HD12 LEU 53 2HD1 LEU 53 7.557 14.342 -4.206 388 HD13 LEU 53 3HD1 LEU 53 5.933 14.942 -3.868 389 HD21 LEU 53 1HD2 LEU 53 7.497 13.905 -1.851 390 HD22 LEU 53 2HD2 LEU 53 8.192 12.421 -2.503 391 HD23 LEU 53 3HD2 LEU 53 6.885 12.339 -1.321 392 H LEU 54 H LEU 54 5.419 9.540 -1.456 393 HA LEU 54 HA LEU 54 5.182 10.326 1.366 394 HB2 LEU 54 1HB LEU 54 5.236 7.727 -0.062 395 HB3 LEU 54 2HB LEU 54 5.964 7.786 1.542 396 HG LEU 54 HG LEU 54 3.642 8.888 2.167 397 HD11 LEU 54 1HD1 LEU 54 2.805 8.909 -0.133 398 HD12 LEU 54 2HD1 LEU 54 1.809 7.898 0.914 399 HD13 LEU 54 3HD1 LEU 54 2.954 7.153 -0.201 400 HD21 LEU 54 1HD2 LEU 54 2.805 6.447 2.475 401 HD22 LEU 54 2HD2 LEU 54 4.243 6.992 3.339 402 HD23 LEU 54 3HD2 LEU 54 4.408 6.013 1.880 403 HA PRO 55 HA PRO 55 9.513 10.866 1.826 404 HB2 PRO 55 1HB PRO 55 9.919 9.916 4.337 405 HB3 PRO 55 2HB PRO 55 9.097 11.446 4.010 406 HG2 PRO 55 1HG PRO 55 7.927 8.763 4.637 407 HG3 PRO 55 2HG PRO 55 7.455 10.360 5.247 408 HD2 PRO 55 1HD PRO 55 6.106 9.101 3.266 409 HD3 PRO 55 2HD PRO 55 6.250 10.868 3.350 410 H GLY 56 H GLY 56 11.398 9.450 3.140 411 HA2 GLY 56 1HA GLY 56 11.257 6.727 2.012 412 HA3 GLY 56 2HA GLY 56 12.658 7.748 1.725 413 H GLY 57 H GLY 57 10.742 6.262 4.320 414 HA2 GLY 57 1HA GLY 57 12.738 4.968 5.640 415 HA3 GLY 57 2HA GLY 57 12.845 6.609 6.258 416 H ILE 58 H ILE 58 10.045 4.587 5.406 417 HA ILE 58 HA ILE 58 9.215 4.643 8.220 418 HB ILE 58 HB ILE 58 7.042 5.392 7.784 419 HG12 ILE 58 1HG1 ILE 58 7.663 4.910 4.868 420 HG13 ILE 58 2HG1 ILE 58 6.464 4.090 5.861 421 HG21 ILE 58 1HG2 ILE 58 8.440 7.114 5.792 422 HG22 ILE 58 2HG2 ILE 58 7.377 7.567 7.124 423 HG23 ILE 58 3HG2 ILE 58 9.034 7.059 7.452 424 HD11 ILE 58 1HD1 ILE 58 5.655 5.842 4.194 425 HD12 ILE 58 2HD1 ILE 58 5.027 5.920 5.840 426 HD13 ILE 58 3HD1 ILE 58 6.298 7.030 5.327 427 H THR 59 H THR 59 7.232 3.181 8.525 428 HA THR 59 HA THR 59 7.531 0.784 6.834 429 HB THR 59 HB THR 59 6.808 -0.473 8.964 430 HG1 THR 59 1HG THR 59 7.755 0.817 10.842 431 HG21 THR 59 1HG2 THR 59 9.022 -0.735 8.062 432 HG22 THR 59 2HG2 THR 59 9.158 -0.525 9.807 433 HG23 THR 59 3HG2 THR 59 9.525 0.819 8.726 434 H SER 60 H SER 60 5.464 3.194 7.831 435 HA SER 60 HA SER 60 3.193 1.910 6.643 436 HB2 SER 60 1HB SER 60 2.671 2.785 9.455 437 HB3 SER 60 2HB SER 60 1.812 1.600 8.471 438 HG SER 60 HG SER 60 4.042 1.294 10.080 439 H HIS 61 H HIS 61 1.421 3.359 6.307 440 HA HIS 61 HA HIS 61 1.952 6.176 6.924 441 HB2 HIS 61 1HB HIS 61 2.678 5.398 4.537 442 HB3 HIS 61 2HB HIS 61 0.950 5.424 4.198 443 HD1 HIS 61 1HD HIS 61 0.533 7.486 2.899 444 HD2 HIS 61 2HD HIS 61 3.130 8.156 6.072 445 HE1 HIS 61 1HE HIS 61 0.981 9.960 2.891 446 HE2 HIS 61 2HE HIS 61 2.621 10.329 4.766 447 H GLN 62 H GLN 62 0.161 7.400 7.322 448 HA GLN 62 HA GLN 62 -2.332 5.948 7.651 449 HB2 GLN 62 1HB GLN 62 -1.584 7.342 9.492 450 HB3 GLN 62 2HB GLN 62 -1.522 8.750 8.441 451 HG2 GLN 62 1HG GLN 62 -3.498 9.027 9.616 452 HG3 GLN 62 2HG GLN 62 -4.023 8.349 8.076 453 HE21 GLN 62 1HE2 GLN 62 -4.780 6.234 8.000 454 HE22 GLN 62 2HE2 GLN 62 -5.254 5.377 9.422 455 H LEU 63 H LEU 63 -3.939 6.000 6.233 456 HA LEU 63 HA LEU 63 -3.885 8.034 4.119 457 HB2 LEU 63 1HB LEU 63 -5.251 5.357 4.298 458 HB3 LEU 63 2HB LEU 63 -5.497 6.494 2.975 459 HG LEU 63 HG LEU 63 -2.778 5.409 3.660 460 HD11 LEU 63 1HD1 LEU 63 -4.499 3.599 3.174 461 HD12 LEU 63 2HD1 LEU 63 -3.056 3.627 2.161 462 HD13 LEU 63 3HD1 LEU 63 -4.578 4.269 1.544 463 HD21 LEU 63 1HD2 LEU 63 -3.586 7.428 1.984 464 HD22 LEU 63 2HD2 LEU 63 -3.460 6.044 0.898 465 HD23 LEU 63 3HD2 LEU 63 -2.070 6.535 1.866 466 H LEU 64 H LEU 64 -5.534 9.438 3.797 467 HA LEU 64 HA LEU 64 -7.831 9.253 5.635 468 HB2 LEU 64 1HB LEU 64 -6.737 11.831 4.554 469 HB3 LEU 64 2HB LEU 64 -7.847 11.590 5.902 470 HG LEU 64 HG LEU 64 -5.709 12.275 6.752 471 HD11 LEU 64 1HD1 LEU 64 -5.220 10.435 8.258 472 HD12 LEU 64 2HD1 LEU 64 -6.102 9.322 7.212 473 HD13 LEU 64 3HD1 LEU 64 -6.962 10.615 8.048 474 HD21 LEU 64 1HD2 LEU 64 -3.676 11.409 6.157 475 HD22 LEU 64 2HD2 LEU 64 -4.551 11.222 4.637 476 HD23 LEU 64 3HD2 LEU 64 -4.348 9.839 5.715 477 H GLY 65 H GLY 65 -9.815 10.296 4.860 478 HA2 GLY 65 1HA GLY 65 -11.386 10.814 3.250 479 HA3 GLY 65 2HA GLY 65 -10.078 10.973 2.087 480 H LEU 66 H LEU 66 -11.948 8.527 3.861 481 HA LEU 66 HA LEU 66 -11.850 6.850 1.446 482 HB2 LEU 66 1HB LEU 66 -11.771 5.768 4.252 483 HB3 LEU 66 2HB LEU 66 -11.578 4.872 2.747 484 HG LEU 66 HG LEU 66 -9.619 6.905 3.810 485 HD11 LEU 66 1HD1 LEU 66 -9.567 5.039 5.275 486 HD12 LEU 66 2HD1 LEU 66 -8.196 4.870 4.179 487 HD13 LEU 66 3HD1 LEU 66 -9.647 3.898 3.931 488 HD21 LEU 66 1HD2 LEU 66 -9.688 6.636 1.341 489 HD22 LEU 66 2HD2 LEU 66 -9.330 4.922 1.558 490 HD23 LEU 66 3HD2 LEU 66 -8.159 6.140 2.066 491 H PHE 67 H PHE 67 -13.638 5.362 1.222 492 HA PHE 67 HA PHE 67 -16.097 6.490 2.325 493 HB2 PHE 67 1HB PHE 67 -15.611 4.557 0.051 494 HB3 PHE 67 2HB PHE 67 -17.209 5.070 0.584 495 HD1 PHE 67 2HD PHE 67 -16.799 7.925 1.082 496 HD2 PHE 67 1HD PHE 67 -15.352 5.451 -2.065 497 HE1 PHE 67 2HE PHE 67 -16.659 9.889 -0.393 498 HE2 PHE 67 1HE PHE 67 -15.209 7.411 -3.545 499 HZ PHE 67 HZ PHE 67 -15.864 9.634 -2.710 500 HA PRO 68 HA PRO 68 -16.835 3.176 5.112 501 HB2 PRO 68 1HB PRO 68 -19.549 3.142 5.127 502 HB3 PRO 68 2HB PRO 68 -18.600 4.413 5.906 503 HG2 PRO 68 1HG PRO 68 -19.959 4.430 3.239 504 HG3 PRO 68 2HG PRO 68 -19.903 5.701 4.474 505 HD2 PRO 68 1HD PRO 68 -18.322 5.735 2.276 506 HD3 PRO 68 2HD PRO 68 -17.802 6.402 3.837 507 H SER 69 H SER 69 -16.503 1.095 4.673 508 HA SER 69 HA SER 69 -16.702 -0.996 3.799 509 HB2 SER 69 1HB SER 69 -19.076 -0.701 4.542 510 HB3 SER 69 2HB SER 69 -19.463 -0.117 2.923 511 HG SER 69 HG SER 69 -19.721 -2.489 3.501 512 H THR 70 H THR 70 -15.481 1.000 2.221 513 HA THR 70 HA THR 70 -16.230 0.145 -0.500 514 HB THR 70 HB THR 70 -14.878 2.714 0.350 515 HG1 THR 70 1HG THR 70 -16.989 3.059 0.687 516 HG21 THR 70 1HG2 THR 70 -14.992 1.336 -2.199 517 HG22 THR 70 2HG2 THR 70 -14.059 2.757 -1.729 518 HG23 THR 70 3HG2 THR 70 -15.721 2.938 -2.288 519 H SER 71 H SER 71 -14.840 -1.213 -1.399 520 HA SER 71 HA SER 71 -12.314 -1.820 -0.279 521 HB2 SER 71 1HB SER 71 -13.692 -3.422 -1.604 522 HB3 SER 71 2HB SER 71 -13.317 -2.492 -3.055 523 HG SER 71 HG SER 71 -11.612 -4.059 -1.454 524 H TYR 72 H TYR 72 -10.249 -1.317 -0.936 525 HA TYR 72 HA TYR 72 -9.968 0.688 -3.066 526 HB2 TYR 72 1HB TYR 72 -9.004 0.852 -0.230 527 HB3 TYR 72 2HB TYR 72 -8.120 1.674 -1.511 528 HD1 TYR 72 2HD TYR 72 -9.168 3.522 -2.754 529 HD2 TYR 72 1HD TYR 72 -11.138 1.657 0.524 530 HE1 TYR 72 2HE TYR 72 -10.723 5.423 -2.614 531 HE2 TYR 72 1HE TYR 72 -12.699 3.551 0.672 532 HH TYR 72 HH TYR 72 -13.573 5.334 -0.777 533 H ASN 73 H ASN 73 -7.829 0.824 -3.987 534 HA ASN 73 HA ASN 73 -6.254 -1.637 -3.601 535 HB2 ASN 73 1HB ASN 73 -7.475 -1.638 -5.751 536 HB3 ASN 73 2HB ASN 73 -6.682 -0.128 -6.189 537 HD21 ASN 73 1HD2 ASN 73 -4.687 -0.176 -7.044 538 HD22 ASN 73 2HD2 ASN 73 -3.772 -1.617 -7.309 539 H ALA 74 H ALA 74 -4.551 -0.974 -2.425 540 HA ALA 74 HA ALA 74 -3.217 1.538 -3.119 541 HB1 ALA 74 1HB ALA 74 -3.536 -0.022 -0.683 542 HB2 ALA 74 2HB ALA 74 -1.873 0.500 -0.954 543 HB3 ALA 74 3HB ALA 74 -3.172 1.691 -0.893 544 H ARG 75 H ARG 75 -0.875 1.593 -3.286 545 HA ARG 75 HA ARG 75 0.491 -0.904 -3.841 546 HB2 ARG 75 1HB ARG 75 -0.564 -0.389 -5.992 547 HB3 ARG 75 2HB ARG 75 0.157 1.215 -5.971 548 HG2 ARG 75 1HG ARG 75 2.405 0.082 -5.937 549 HG3 ARG 75 2HG ARG 75 1.552 -1.430 -6.256 550 HD2 ARG 75 1HD ARG 75 2.259 -0.619 -8.360 551 HD3 ARG 75 2HD ARG 75 0.531 -0.282 -8.261 552 HE ARG 75 HE ARG 75 2.086 1.928 -7.365 553 HH11 ARG 75 2HH1 ARG 75 0.961 0.283 -10.220 554 HH12 ARG 75 1HH1 ARG 75 1.028 1.697 -11.220 555 HH21 ARG 75 2HH2 ARG 75 2.179 3.796 -8.671 556 HH22 ARG 75 1HH2 ARG 75 1.722 3.694 -10.338 557 H LEU 76 H LEU 76 2.478 -0.776 -3.040 558 HA LEU 76 HA LEU 76 3.598 1.874 -2.479 559 HB2 LEU 76 1HB LEU 76 3.360 0.306 -0.604 560 HB3 LEU 76 2HB LEU 76 4.408 -0.838 -1.439 561 HG LEU 76 HG LEU 76 6.147 1.100 -1.343 562 HD11 LEU 76 1HD1 LEU 76 4.372 1.839 0.977 563 HD12 LEU 76 2HD1 LEU 76 4.513 2.766 -0.516 564 HD13 LEU 76 3HD1 LEU 76 5.913 2.577 0.540 565 HD21 LEU 76 1HD2 LEU 76 5.436 -0.308 1.220 566 HD22 LEU 76 2HD2 LEU 76 7.031 0.201 0.667 567 HD23 LEU 76 3HD2 LEU 76 6.192 -1.116 -0.153 568 H GLN 77 H GLN 77 4.782 2.592 -4.141 569 HA GLN 77 HA GLN 77 6.740 0.740 -5.334 570 HB2 GLN 77 1HB GLN 77 4.772 1.811 -6.738 571 HB3 GLN 77 2HB GLN 77 5.852 3.199 -6.777 572 HG2 GLN 77 1HG GLN 77 7.604 1.378 -7.524 573 HG3 GLN 77 2HG GLN 77 6.146 0.527 -8.033 574 HE21 GLN 77 1HE2 GLN 77 6.265 0.704 -10.187 575 HE22 GLN 77 2HE2 GLN 77 6.316 2.197 -11.053 576 H ALA 78 H ALA 78 8.683 1.155 -4.517 577 HA ALA 78 HA ALA 78 9.391 3.844 -3.666 578 HB1 ALA 78 1HB ALA 78 10.460 2.678 -2.107 579 HB2 ALA 78 2HB ALA 78 10.228 1.170 -2.993 580 HB3 ALA 78 3HB ALA 78 11.617 2.196 -3.349 581 H MET 79 H MET 79 10.885 5.145 -4.618 582 HA MET 79 HA MET 79 11.597 4.536 -7.350 583 HB2 MET 79 1HB MET 79 12.325 6.965 -5.707 584 HB3 MET 79 2HB MET 79 12.401 6.816 -7.458 585 HG2 MET 79 1HG MET 79 9.908 6.436 -7.408 586 HG3 MET 79 2HG MET 79 9.960 6.924 -5.716 587 HE1 MET 79 1HE MET 79 10.278 10.383 -5.437 588 HE2 MET 79 2HE MET 79 8.670 9.800 -5.867 589 HE3 MET 79 3HE MET 79 9.736 8.799 -4.881 590 H TRP 80 H TRP 80 13.346 3.399 -7.833 591 HA TRP 80 HA TRP 80 15.716 3.661 -6.100 592 HB2 TRP 80 1HB TRP 80 14.507 1.305 -7.486 593 HB3 TRP 80 2HB TRP 80 16.255 1.351 -7.271 594 HD1 TRP 80 HD TRP 80 17.146 1.433 -4.678 595 HE1 TRP 80 1HE TRP 80 16.090 0.469 -2.538 596 HE3 TRP 80 3HE TRP 80 12.354 0.811 -6.347 597 HZ2 TRP 80 2HZ TRP 80 13.561 -0.436 -1.672 598 HZ3 TRP 80 3HZ TRP 80 10.677 -0.111 -4.800 599 HH2 TRP 80 HH TRP 80 11.270 -0.721 -2.512 600 H GLY 81 H GLY 81 16.989 5.117 -7.101 601 HA2 GLY 81 1HA GLY 81 18.098 6.217 -8.811 602 HA3 GLY 81 2HA GLY 81 18.634 4.583 -9.171 603 H GLN 82 H GLN 82 18.509 4.261 -11.288 604 HA GLN 82 HA GLN 82 16.386 5.530 -12.830 605 HB2 GLN 82 1HB GLN 82 18.821 3.957 -13.684 606 HB3 GLN 82 2HB GLN 82 17.654 4.660 -14.797 607 HG2 GLN 82 1HG GLN 82 18.181 6.892 -13.839 608 HG3 GLN 82 2HG GLN 82 19.454 6.130 -12.888 609 HE21 GLN 82 1HE2 GLN 82 21.401 6.041 -13.755 610 HE22 GLN 82 2HE2 GLN 82 21.776 6.247 -15.428 611 H SER 83 H SER 83 15.448 3.571 -11.112 612 HA SER 83 HA SER 83 14.234 1.754 -13.007 613 HB2 SER 83 1HB SER 83 16.017 0.786 -10.775 614 HB3 SER 83 2HB SER 83 14.759 -0.233 -11.475 615 HG SER 83 HG SER 83 17.151 -0.006 -12.369 616 H LEU 84 H LEU 84 12.455 0.506 -12.022 617 HA LEU 84 HA LEU 84 11.434 1.709 -9.544 618 HB2 LEU 84 1HB LEU 84 9.852 1.247 -12.068 619 HB3 LEU 84 2HB LEU 84 9.184 1.782 -10.527 620 HG LEU 84 HG LEU 84 11.273 3.381 -11.976 621 HD11 LEU 84 1HD1 LEU 84 9.252 4.749 -12.749 622 HD12 LEU 84 2HD1 LEU 84 8.313 3.288 -12.443 623 HD13 LEU 84 3HD1 LEU 84 9.624 3.262 -13.623 624 HD21 LEU 84 1HD2 LEU 84 10.670 5.112 -10.567 625 HD22 LEU 84 2HD2 LEU 84 10.542 3.708 -9.507 626 HD23 LEU 84 3HD2 LEU 84 9.089 4.415 -10.215 627 H LEU 85 H LEU 85 12.055 -0.206 -8.466 628 HA LEU 85 HA LEU 85 11.621 -2.808 -9.101 629 HB2 LEU 85 1HB LEU 85 11.139 -1.549 -6.404 630 HB3 LEU 85 2HB LEU 85 11.394 -3.267 -6.699 631 HG LEU 85 HG LEU 85 13.396 -1.035 -7.001 632 HD11 LEU 85 1HD1 LEU 85 13.021 -3.323 -5.110 633 HD12 LEU 85 2HD1 LEU 85 13.342 -1.625 -4.761 634 HD13 LEU 85 3HD1 LEU 85 14.625 -2.650 -5.404 635 HD21 LEU 85 1HD2 LEU 85 13.930 -2.390 -8.810 636 HD22 LEU 85 2HD2 LEU 85 13.450 -3.867 -7.974 637 HD23 LEU 85 3HD2 LEU 85 14.938 -3.038 -7.516 638 HA PRO 86 HA PRO 86 7.310 -3.578 -9.425 639 HB2 PRO 86 1HB PRO 86 7.174 -6.136 -8.526 640 HB3 PRO 86 2HB PRO 86 7.865 -5.704 -10.094 641 HG2 PRO 86 1HG PRO 86 9.255 -6.296 -7.510 642 HG3 PRO 86 2HG PRO 86 9.670 -6.826 -9.150 643 HD2 PRO 86 1HD PRO 86 10.931 -4.769 -7.920 644 HD3 PRO 86 2HD PRO 86 10.680 -4.822 -9.677 645 HA PRO 87 HA PRO 87 6.072 -2.506 -5.217 646 HB2 PRO 87 1HB PRO 87 3.662 -1.490 -5.946 647 HB3 PRO 87 2HB PRO 87 5.172 -0.582 -6.092 648 HG2 PRO 87 1HG PRO 87 3.658 -2.088 -8.189 649 HG3 PRO 87 2HG PRO 87 4.434 -0.497 -8.295 650 HD2 PRO 87 1HD PRO 87 5.579 -2.745 -9.278 651 HD3 PRO 87 2HD PRO 87 6.530 -1.401 -8.614 652 H VAL 88 H VAL 88 4.148 -3.045 -3.892 653 HA VAL 88 HA VAL 88 3.009 -5.630 -4.729 654 HB VAL 88 HB VAL 88 2.614 -5.955 -2.238 655 HG11 VAL 88 1HG1 VAL 88 5.541 -5.731 -2.770 656 HG12 VAL 88 2HG1 VAL 88 4.633 -7.032 -1.998 657 HG13 VAL 88 3HG1 VAL 88 4.564 -6.825 -3.749 658 HG21 VAL 88 1HG2 VAL 88 3.670 -4.609 -0.665 659 HG22 VAL 88 2HG2 VAL 88 4.756 -3.895 -1.857 660 HG23 VAL 88 3HG2 VAL 88 3.052 -3.440 -1.833 661 H SER 89 H SER 89 0.894 -5.735 -5.076 662 HA SER 89 HA SER 89 -0.782 -3.492 -4.201 663 HB2 SER 89 1HB SER 89 -2.346 -4.172 -5.929 664 HB3 SER 89 2HB SER 89 -0.732 -4.052 -6.630 665 HG SER 89 HG SER 89 -2.368 -6.215 -6.398 666 H THR 90 H THR 90 -2.402 -3.741 -2.781 667 HA THR 90 HA THR 90 -3.344 -6.429 -2.118 668 HB THR 90 HB THR 90 -1.494 -5.838 -0.524 669 HG1 THR 90 1HG THR 90 -2.903 -7.295 0.294 670 HG21 THR 90 1HG2 THR 90 -3.391 -3.928 0.782 671 HG22 THR 90 2HG2 THR 90 -2.318 -3.359 -0.498 672 HG23 THR 90 3HG2 THR 90 -1.644 -4.074 0.966 673 H SER 91 H SER 91 -5.473 -6.517 -1.641 674 HA SER 91 HA SER 91 -6.965 -4.009 -1.785 675 HB2 SER 91 1HB SER 91 -8.899 -5.357 -2.289 676 HB3 SER 91 2HB SER 91 -7.558 -5.942 -3.274 677 HG SER 91 HG SER 91 -7.279 -7.449 -1.345 678 H PHE 92 H PHE 92 -8.428 -3.344 -0.233 679 HA PHE 92 HA PHE 92 -8.772 -4.919 2.183 680 HB2 PHE 92 1HB PHE 92 -7.949 -3.221 3.687 681 HB3 PHE 92 2HB PHE 92 -6.675 -3.609 2.536 682 HD1 PHE 92 1HD PHE 92 -6.041 -2.022 0.799 683 HD2 PHE 92 2HD PHE 92 -8.996 -1.065 3.709 684 HE1 PHE 92 1HE PHE 92 -5.847 0.359 0.209 685 HE2 PHE 92 2HE PHE 92 -8.807 1.317 3.123 686 HZ PHE 92 HZ PHE 92 -7.232 2.032 1.371 687 H THR 93 H THR 93 -10.651 -4.478 3.250 688 HA THR 93 HA THR 93 -12.403 -2.484 1.988 689 HB THR 93 HB THR 93 -13.259 -4.765 3.772 690 HG1 THR 93 1HG THR 93 -13.067 -6.030 2.093 691 HG21 THR 93 1HG2 THR 93 -15.316 -4.213 2.075 692 HG22 THR 93 2HG2 THR 93 -14.622 -2.610 2.314 693 HG23 THR 93 3HG2 THR 93 -15.158 -3.554 3.703 694 H THR 94 H THR 94 -13.342 -0.878 3.145 695 HA THR 94 HA THR 94 -12.266 -0.336 5.772 696 HB THR 94 HB THR 94 -13.665 1.770 5.584 697 HG1 THR 94 1HG THR 94 -14.968 1.970 3.927 698 HG21 THR 94 1HG2 THR 94 -12.210 2.761 3.812 699 HG22 THR 94 2HG2 THR 94 -11.631 1.135 3.447 700 HG23 THR 94 3HG2 THR 94 -11.327 1.844 5.033 701 H GLY 95 H GLY 95 -13.524 0.075 7.650 702 HA2 GLY 95 1HA GLY 95 -15.614 -1.804 8.066 703 HA3 GLY 95 2HA GLY 95 -15.093 -0.569 9.203 704 H GLY 96 H GLY 96 -17.463 -0.543 9.641 705 HA2 GLY 96 1HA GLY 96 -18.892 1.111 7.655 706 HA3 GLY 96 2HA GLY 96 -19.679 0.024 8.790 707 H LEU 97 H LEU 97 -20.167 2.857 8.364 708 HA LEU 97 HA LEU 97 -19.034 4.293 10.570 709 HB2 LEU 97 1HB LEU 97 -21.174 4.849 8.555 710 HB3 LEU 97 2HB LEU 97 -20.975 5.906 9.951 711 HG LEU 97 HG LEU 97 -18.920 5.360 7.809 712 HD11 LEU 97 1HD1 LEU 97 -19.552 7.263 6.806 713 HD12 LEU 97 2HD1 LEU 97 -19.860 8.088 8.334 714 HD13 LEU 97 3HD1 LEU 97 -21.075 7.003 7.657 715 HD21 LEU 97 1HD2 LEU 97 -18.616 6.266 10.508 716 HD22 LEU 97 2HD2 LEU 97 -18.217 7.574 9.394 717 HD23 LEU 97 3HD2 LEU 97 -17.386 6.023 9.267 718 H ARG 98 H ARG 98 -19.549 2.895 12.332 719 HA ARG 98 HA ARG 98 -22.035 3.572 13.593 720 HB2 ARG 98 1HB ARG 98 -22.561 1.597 12.059 721 HB3 ARG 98 2HB ARG 98 -21.549 0.635 13.127 722 HG2 ARG 98 1HG ARG 98 -23.053 1.433 15.015 723 HG3 ARG 98 2HG ARG 98 -24.145 1.999 13.750 724 HD2 ARG 98 1HD ARG 98 -24.543 -0.165 12.963 725 HD3 ARG 98 2HD ARG 98 -23.117 -0.817 13.769 726 HE ARG 98 HE ARG 98 -24.750 0.098 15.782 727 HH11 ARG 98 2HH1 ARG 98 -25.000 -2.212 13.189 728 HH12 ARG 98 1HH1 ARG 98 -26.107 -3.240 14.037 729 HH21 ARG 98 2HH2 ARG 98 -26.207 -1.247 16.909 730 HH22 ARG 98 1HH2 ARG 98 -26.794 -2.690 16.152 731 H ILE 99 H ILE 99 -21.935 3.372 15.796 732 HA ILE 99 HA ILE 99 -19.362 3.097 16.966 733 HB ILE 99 HB ILE 99 -22.063 3.207 18.314 734 HG12 ILE 99 1HG1 ILE 99 -21.045 5.625 18.755 735 HG13 ILE 99 2HG1 ILE 99 -20.189 5.274 17.258 736 HG21 ILE 99 1HG2 ILE 99 -20.132 2.276 19.655 737 HG22 ILE 99 2HG2 ILE 99 -19.390 3.870 19.520 738 HG23 ILE 99 3HG2 ILE 99 -20.942 3.686 20.338 739 HD11 ILE 99 1HD1 ILE 99 -22.514 6.494 17.264 740 HD12 ILE 99 2HD1 ILE 99 -22.085 5.341 16.000 741 HD13 ILE 99 3HD1 ILE 99 -23.124 4.841 17.334 742 H SER 100 H SER 100 -18.348 1.251 17.346 743 HA SER 100 HA SER 100 -19.565 -0.873 18.807 744 HB2 SER 100 1HB SER 100 -20.506 -1.425 16.622 745 HB3 SER 100 2HB SER 100 -18.899 -1.382 15.896 746 HG SER 100 HG SER 100 -19.840 -3.197 17.864 747 H GLY 101 H GLY 101 -18.032 -1.819 19.993 748 HA2 GLY 101 1HA GLY 101 -15.408 -2.374 18.974 749 HA3 GLY 101 2HA GLY 101 -15.414 -1.027 20.102 750 HA PRO 102 HA PRO 102 -14.924 -5.034 22.443 751 HB2 PRO 102 1HB PRO 102 -12.692 -4.275 23.791 752 HB3 PRO 102 2HB PRO 102 -12.639 -5.043 22.200 753 HG2 PRO 102 1HG PRO 102 -12.419 -2.144 22.912 754 HG3 PRO 102 2HG PRO 102 -11.473 -3.084 21.744 755 HD2 PRO 102 1HD PRO 102 -13.513 -1.466 21.001 756 HD3 PRO 102 2HD PRO 102 -13.110 -2.958 20.126 757 H SER 103 H SER 103 -14.369 -5.079 24.962 758 HA SER 103 HA SER 103 -15.938 -2.913 26.202 759 HB2 SER 103 1HB SER 103 -15.900 -5.876 26.725 760 HB3 SER 103 2HB SER 103 -16.437 -4.745 27.967 761 HG SER 103 HG SER 103 -18.147 -5.550 26.618 762 H SER 104 H SER 104 -15.500 -2.733 28.616 763 HA SER 104 HA SER 104 -12.877 -1.950 29.052 764 HB2 SER 104 1HB SER 104 -14.992 -2.740 31.067 765 HB3 SER 104 2HB SER 104 -13.485 -1.921 31.478 766 HG SER 104 HG SER 104 -14.658 -0.201 31.122 767 H GLY 105 H GLY 105 -11.335 -2.809 30.673 768 HA2 GLY 105 1HA GLY 105 -11.353 -5.428 31.632 769 HA3 GLY 105 2HA GLY 105 -10.603 -5.466 30.043 Start of MODEL 9 1 H1 GLY 1 H GLY 1 13.425 -15.303 -11.652 2 HA2 GLY 1 1HA GLY 1 14.070 -16.696 -14.062 3 HA3 GLY 1 2HA GLY 1 14.057 -14.956 -14.310 4 H SER 2 H SER 2 16.088 -14.269 -14.379 5 HA SER 2 HA SER 2 18.172 -15.582 -12.873 6 HB2 SER 2 1HB SER 2 18.381 -14.584 -15.239 7 HB3 SER 2 2HB SER 2 18.493 -13.021 -14.429 8 HG SER 2 HG SER 2 20.237 -15.239 -14.221 9 H SER 3 H SER 3 19.816 -14.049 -11.761 10 HA SER 3 HA SER 3 18.294 -12.297 -9.947 11 HB2 SER 3 1HB SER 3 20.618 -14.140 -9.500 12 HB3 SER 3 2HB SER 3 20.391 -12.750 -8.439 13 HG SER 3 HG SER 3 19.255 -15.032 -8.160 14 H GLY 4 H GLY 4 21.407 -12.677 -11.610 15 HA2 GLY 4 1HA GLY 4 22.756 -11.060 -12.562 16 HA3 GLY 4 2HA GLY 4 21.550 -9.858 -12.127 17 H SER 5 H SER 5 23.197 -8.416 -11.479 18 HA SER 5 HA SER 5 24.738 -9.202 -9.110 19 HB2 SER 5 1HB SER 5 25.092 -7.114 -11.224 20 HB3 SER 5 2HB SER 5 25.808 -6.847 -9.634 21 HG SER 5 HG SER 5 27.068 -8.024 -11.355 22 H SER 6 H SER 6 22.909 -6.377 -10.293 23 HA SER 6 HA SER 6 22.734 -4.833 -8.092 24 HB2 SER 6 1HB SER 6 21.553 -4.575 -10.379 25 HB3 SER 6 2HB SER 6 20.215 -5.441 -9.625 26 HG SER 6 HG SER 6 21.327 -3.260 -8.271 27 H GLY 7 H GLY 7 22.452 -5.398 -6.037 28 HA2 GLY 7 1HA GLY 7 20.724 -7.637 -5.347 29 HA3 GLY 7 2HA GLY 7 21.782 -6.760 -4.252 30 H LEU 8 H LEU 8 19.317 -5.426 -6.409 31 HA LEU 8 HA LEU 8 18.187 -3.914 -4.238 32 HB2 LEU 8 1HB LEU 8 17.743 -4.102 -7.176 33 HB3 LEU 8 2HB LEU 8 16.477 -3.393 -6.175 34 HG LEU 8 HG LEU 8 19.324 -2.403 -6.267 35 HD11 LEU 8 1HD1 LEU 8 16.946 -1.081 -7.533 36 HD12 LEU 8 2HD1 LEU 8 17.976 -2.203 -8.420 37 HD13 LEU 8 3HD1 LEU 8 18.658 -0.719 -7.753 38 HD21 LEU 8 1HD2 LEU 8 18.353 -0.419 -5.175 39 HD22 LEU 8 2HD2 LEU 8 18.199 -1.875 -4.191 40 HD23 LEU 8 3HD2 LEU 8 16.803 -1.255 -5.074 41 H GLU 9 H GLU 9 16.201 -4.161 -3.279 42 HA GLU 9 HA GLU 9 14.603 -6.500 -4.054 43 HB2 GLU 9 1HB GLU 9 15.739 -5.858 -1.355 44 HB3 GLU 9 2HB GLU 9 14.221 -6.736 -1.480 45 HG2 GLU 9 1HG GLU 9 16.583 -7.684 -3.026 46 HG3 GLU 9 2HG GLU 9 16.489 -8.010 -1.296 47 H ALA 10 H ALA 10 12.544 -6.411 -2.406 48 HA ALA 10 HA ALA 10 11.549 -3.651 -2.343 49 HB1 ALA 10 1HB ALA 10 10.152 -3.978 -4.032 50 HB2 ALA 10 2HB ALA 10 10.730 -5.634 -4.217 51 HB3 ALA 10 3HB ALA 10 9.383 -5.286 -3.133 52 HA PRO 11 HA PRO 11 9.635 -4.653 1.476 53 HB2 PRO 11 1HB PRO 11 7.160 -3.552 1.284 54 HB3 PRO 11 2HB PRO 11 8.631 -2.586 1.451 55 HG2 PRO 11 1HG PRO 11 7.060 -3.234 -1.013 56 HG3 PRO 11 2HG PRO 11 7.779 -1.691 -0.519 57 HD2 PRO 11 1HD PRO 11 8.943 -3.324 -2.339 58 HD3 PRO 11 2HD PRO 11 9.884 -2.297 -1.237 59 H ARG 12 H ARG 12 8.074 -5.956 2.563 60 HA ARG 12 HA ARG 12 6.360 -7.616 0.859 61 HB2 ARG 12 1HB ARG 12 7.106 -9.599 2.307 62 HB3 ARG 12 2HB ARG 12 8.209 -9.044 1.055 63 HG2 ARG 12 1HG ARG 12 9.168 -7.588 3.036 64 HG3 ARG 12 2HG ARG 12 8.444 -8.871 4.007 65 HD2 ARG 12 1HD ARG 12 9.682 -10.410 2.255 66 HD3 ARG 12 2HD ARG 12 10.705 -8.986 2.077 67 HE ARG 12 HE ARG 12 10.530 -10.735 4.374 68 HH11 ARG 12 2HH1 ARG 12 11.563 -7.653 3.128 69 HH12 ARG 12 1HH1 ARG 12 12.731 -7.391 4.380 70 HH21 ARG 12 2HH2 ARG 12 12.065 -10.402 6.029 71 HH22 ARG 12 1HH2 ARG 12 13.017 -8.956 6.029 72 H ASP 13 H ASP 13 5.096 -9.194 2.457 73 HA ASP 13 HA ASP 13 3.298 -9.216 3.872 74 HB2 ASP 13 1HB ASP 13 3.914 -8.574 6.247 75 HB3 ASP 13 2HB ASP 13 4.944 -9.787 5.491 76 H LEU 14 H LEU 14 2.961 -7.157 2.197 77 HA LEU 14 HA LEU 14 2.498 -4.715 3.696 78 HB2 LEU 14 1HB LEU 14 3.363 -4.454 1.487 79 HB3 LEU 14 2HB LEU 14 2.086 -5.463 0.809 80 HG LEU 14 HG LEU 14 0.466 -3.652 1.563 81 HD11 LEU 14 1HD1 LEU 14 2.126 -2.577 3.103 82 HD12 LEU 14 2HD1 LEU 14 1.305 -1.473 2.000 83 HD13 LEU 14 3HD1 LEU 14 2.963 -1.976 1.672 84 HD21 LEU 14 1HD2 LEU 14 0.524 -2.838 -0.530 85 HD22 LEU 14 2HD2 LEU 14 1.785 -4.048 -0.771 86 HD23 LEU 14 3HD2 LEU 14 2.222 -2.376 -0.416 87 H GLU 15 H GLU 15 0.864 -5.254 5.140 88 HA GLU 15 HA GLU 15 -1.748 -5.860 3.916 89 HB2 GLU 15 1HB GLU 15 -0.909 -7.660 5.389 90 HB3 GLU 15 2HB GLU 15 -0.820 -6.513 6.718 91 HG2 GLU 15 1HG GLU 15 -3.102 -6.404 6.962 92 HG3 GLU 15 2HG GLU 15 -3.410 -6.909 5.302 93 H ALA 16 H ALA 16 -3.626 -4.965 5.084 94 HA ALA 16 HA ALA 16 -3.039 -2.235 5.967 95 HB1 ALA 16 1HB ALA 16 -4.940 -1.596 4.969 96 HB2 ALA 16 2HB ALA 16 -4.853 -3.158 4.154 97 HB3 ALA 16 3HB ALA 16 -5.848 -2.971 5.598 98 H LYS 17 H LYS 17 -2.983 -1.841 8.070 99 HA LYS 17 HA LYS 17 -4.548 -3.554 9.879 100 HB2 LYS 17 1HB LYS 17 -2.172 -1.793 10.511 101 HB3 LYS 17 2HB LYS 17 -2.995 -2.862 11.639 102 HG2 LYS 17 1HG LYS 17 -2.378 -4.732 9.982 103 HG3 LYS 17 2HG LYS 17 -1.228 -3.563 9.329 104 HD2 LYS 17 1HD LYS 17 0.012 -3.498 11.293 105 HD3 LYS 17 2HD LYS 17 -1.320 -4.118 12.271 106 HE2 LYS 17 1HE LYS 17 -1.070 -6.267 10.898 107 HE3 LYS 17 2HE LYS 17 0.483 -5.608 10.387 108 HZ1 LYS 17 1HZ LYS 17 0.008 -7.049 12.658 109 HZ2 LYS 17 2HZ LYS 17 0.130 -5.457 13.217 110 HZ3 LYS 17 3HZ LYS 17 1.396 -6.140 12.326 111 H GLU 18 H GLU 18 -5.465 -2.502 11.807 112 HA GLU 18 HA GLU 18 -6.957 -1.024 12.693 113 HB2 GLU 18 1HB GLU 18 -5.064 1.053 11.582 114 HB3 GLU 18 2HB GLU 18 -6.191 1.260 12.915 115 HG2 GLU 18 1HG GLU 18 -4.128 -0.868 13.120 116 HG3 GLU 18 2HG GLU 18 -3.638 0.812 13.331 117 H VAL 19 H VAL 19 -7.605 -1.936 10.104 118 HA VAL 19 HA VAL 19 -8.369 0.163 8.364 119 HB VAL 19 HB VAL 19 -9.454 -2.648 8.584 120 HG11 VAL 19 1HG1 VAL 19 -10.243 -0.385 6.937 121 HG12 VAL 19 2HG1 VAL 19 -9.792 -1.800 5.983 122 HG13 VAL 19 3HG1 VAL 19 -11.056 -1.927 7.207 123 HG21 VAL 19 1HG2 VAL 19 -8.008 -2.776 6.403 124 HG22 VAL 19 2HG2 VAL 19 -7.157 -1.416 7.134 125 HG23 VAL 19 3HG2 VAL 19 -7.254 -2.956 7.987 126 H THR 20 H THR 20 -9.918 1.614 8.631 127 HA THR 20 HA THR 20 -12.398 0.842 9.984 128 HB THR 20 HB THR 20 -12.262 3.305 10.968 129 HG1 THR 20 1HG THR 20 -10.321 4.104 10.754 130 HG21 THR 20 1HG2 THR 20 -11.836 0.691 11.968 131 HG22 THR 20 2HG2 THR 20 -12.367 2.122 12.852 132 HG23 THR 20 3HG2 THR 20 -10.648 1.745 12.733 133 HA PRO 21 HA PRO 21 -14.428 3.112 6.823 134 HB2 PRO 21 1HB PRO 21 -16.559 4.149 8.147 135 HB3 PRO 21 2HB PRO 21 -16.416 2.432 7.753 136 HG2 PRO 21 1HG PRO 21 -15.841 3.837 10.333 137 HG3 PRO 21 2HG PRO 21 -16.678 2.298 10.059 138 HD2 PRO 21 1HD PRO 21 -14.092 2.429 10.850 139 HD3 PRO 21 2HD PRO 21 -14.708 1.126 9.815 140 H ARG 22 H ARG 22 -12.784 4.634 9.247 141 HA ARG 22 HA ARG 22 -13.436 7.311 8.202 142 HB2 ARG 22 1HB ARG 22 -12.631 6.392 10.946 143 HB3 ARG 22 2HB ARG 22 -12.348 8.052 10.439 144 HG2 ARG 22 1HG ARG 22 -15.069 6.893 10.108 145 HG3 ARG 22 2HG ARG 22 -14.531 7.385 11.715 146 HD2 ARG 22 1HD ARG 22 -13.842 9.587 10.520 147 HD3 ARG 22 2HD ARG 22 -14.958 9.048 9.266 148 HE ARG 22 HE ARG 22 -16.238 8.895 11.760 149 HH11 ARG 22 2HH1 ARG 22 -15.043 11.257 9.499 150 HH12 ARG 22 1HH1 ARG 22 -16.192 12.470 9.958 151 HH21 ARG 22 2HH2 ARG 22 -17.757 10.483 12.373 152 HH22 ARG 22 1HH2 ARG 22 -17.735 12.029 11.594 153 H THR 23 H THR 23 -10.987 4.948 8.745 154 HA THR 23 HA THR 23 -9.122 6.340 7.098 155 HB THR 23 HB THR 23 -7.306 6.260 8.968 156 HG1 THR 23 1HG THR 23 -9.512 6.851 10.632 157 HG21 THR 23 1HG2 THR 23 -9.180 8.504 9.461 158 HG22 THR 23 2HG2 THR 23 -8.627 8.271 7.802 159 HG23 THR 23 3HG2 THR 23 -7.455 8.527 9.095 160 H ALA 24 H ALA 24 -7.110 5.107 6.789 161 HA ALA 24 HA ALA 24 -7.233 2.325 7.695 162 HB1 ALA 24 1HB ALA 24 -8.359 2.624 5.428 163 HB2 ALA 24 2HB ALA 24 -6.744 2.948 4.798 164 HB3 ALA 24 3HB ALA 24 -7.103 1.392 5.546 165 H LEU 25 H LEU 25 -5.301 1.591 8.308 166 HA LEU 25 HA LEU 25 -2.922 3.124 7.499 167 HB2 LEU 25 1HB LEU 25 -3.171 3.302 9.829 168 HB3 LEU 25 2HB LEU 25 -3.588 1.597 9.996 169 HG LEU 25 HG LEU 25 -1.111 1.281 9.110 170 HD11 LEU 25 1HD1 LEU 25 -0.401 3.459 8.741 171 HD12 LEU 25 2HD1 LEU 25 0.256 3.091 10.335 172 HD13 LEU 25 3HD1 LEU 25 -1.201 4.072 10.188 173 HD21 LEU 25 1HD2 LEU 25 -1.941 1.966 11.924 174 HD22 LEU 25 2HD2 LEU 25 -0.381 1.259 11.501 175 HD23 LEU 25 3HD2 LEU 25 -1.870 0.367 11.181 176 H LEU 26 H LEU 26 -1.348 2.136 6.397 177 HA LEU 26 HA LEU 26 -1.493 -0.795 6.124 178 HB2 LEU 26 1HB LEU 26 -1.004 1.380 4.169 179 HB3 LEU 26 2HB LEU 26 -0.106 -0.121 3.953 180 HG LEU 26 HG LEU 26 -3.072 -0.236 4.268 181 HD11 LEU 26 1HD1 LEU 26 -2.672 -0.201 1.546 182 HD12 LEU 26 2HD1 LEU 26 -1.663 1.126 2.121 183 HD13 LEU 26 3HD1 LEU 26 -3.383 1.095 2.508 184 HD21 LEU 26 1HD2 LEU 26 -1.075 -2.095 3.859 185 HD22 LEU 26 2HD2 LEU 26 -1.762 -1.867 2.251 186 HD23 LEU 26 3HD2 LEU 26 -2.801 -2.344 3.596 187 H THR 27 H THR 27 0.237 -1.951 6.695 188 HA THR 27 HA THR 27 2.748 -0.502 7.231 189 HB THR 27 HB THR 27 3.247 -2.129 8.974 190 HG1 THR 27 1HG THR 27 0.658 -3.211 8.466 191 HG21 THR 27 1HG2 THR 27 2.216 -0.584 10.224 192 HG22 THR 27 2HG2 THR 27 0.825 -1.668 10.222 193 HG23 THR 27 3HG2 THR 27 0.931 -0.367 9.037 194 H TRP 28 H TRP 28 4.709 -1.520 6.723 195 HA TRP 28 HA TRP 28 4.644 -4.062 5.313 196 HB2 TRP 28 1HB TRP 28 5.671 -3.230 3.296 197 HB3 TRP 28 2HB TRP 28 4.195 -2.314 3.585 198 HD1 TRP 28 HD TRP 28 8.002 -1.935 3.576 199 HE1 TRP 28 1HE TRP 28 8.579 0.573 3.561 200 HE3 TRP 28 3HE TRP 28 3.312 -0.019 4.266 201 HZ2 TRP 28 2HZ TRP 28 7.225 3.038 3.810 202 HZ3 TRP 28 3HZ TRP 28 3.040 2.424 4.367 203 HH2 TRP 28 HH TRP 28 4.957 3.919 4.144 204 H THR 29 H THR 29 6.838 -4.858 4.811 205 HA THR 29 HA THR 29 8.651 -4.159 6.979 206 HB THR 29 HB THR 29 8.623 -6.439 5.003 207 HG1 THR 29 1HG THR 29 7.325 -6.219 7.133 208 HG21 THR 29 1HG2 THR 29 10.901 -6.229 5.231 209 HG22 THR 29 2HG2 THR 29 10.534 -7.235 6.633 210 HG23 THR 29 3HG2 THR 29 10.783 -5.501 6.832 211 H GLU 30 H GLU 30 10.494 -3.053 6.744 212 HA GLU 30 HA GLU 30 11.090 -1.744 4.298 213 HB2 GLU 30 1HB GLU 30 11.668 -1.227 6.886 214 HB3 GLU 30 2HB GLU 30 13.205 -1.901 6.363 215 HG2 GLU 30 1HG GLU 30 11.970 0.170 4.646 216 HG3 GLU 30 2HG GLU 30 12.647 0.683 6.190 217 HA PRO 31 HA PRO 31 13.495 -4.940 2.392 218 HB2 PRO 31 1HB PRO 31 14.476 -3.436 0.356 219 HB3 PRO 31 2HB PRO 31 12.813 -4.034 0.394 220 HG2 PRO 31 1HG PRO 31 13.869 -1.326 1.111 221 HG3 PRO 31 2HG PRO 31 12.419 -1.752 0.184 222 HD2 PRO 31 1HD PRO 31 12.322 -1.033 2.793 223 HD3 PRO 31 2HD PRO 31 11.184 -2.195 2.079 224 HA PRO 32 HA PRO 32 17.683 -4.483 3.650 225 HB2 PRO 32 1HB PRO 32 19.059 -5.652 1.623 226 HB3 PRO 32 2HB PRO 32 18.087 -6.570 2.779 227 HG2 PRO 32 1HG PRO 32 17.396 -5.688 0.003 228 HG3 PRO 32 2HG PRO 32 17.097 -7.250 0.787 229 HD2 PRO 32 1HD PRO 32 15.177 -5.359 0.528 230 HD3 PRO 32 2HD PRO 32 15.239 -6.474 1.908 231 H VAL 33 H VAL 33 16.506 -2.809 0.997 232 HA VAL 33 HA VAL 33 18.937 -1.155 0.896 233 HB VAL 33 HB VAL 33 17.237 -1.862 -1.500 234 HG11 VAL 33 1HG1 VAL 33 19.871 -0.447 -1.590 235 HG12 VAL 33 2HG1 VAL 33 18.574 -0.473 -2.785 236 HG13 VAL 33 3HG1 VAL 33 18.384 0.453 -1.296 237 HG21 VAL 33 1HG2 VAL 33 20.109 -2.620 -1.054 238 HG22 VAL 33 2HG2 VAL 33 18.777 -3.664 -0.559 239 HG23 VAL 33 3HG2 VAL 33 18.982 -3.242 -2.260 240 H ARG 34 H ARG 34 18.343 0.679 1.865 241 HA ARG 34 HA ARG 34 15.732 1.666 2.068 242 HB2 ARG 34 1HB ARG 34 17.627 2.313 3.545 243 HB3 ARG 34 2HB ARG 34 18.302 3.250 2.219 244 HG2 ARG 34 1HG ARG 34 16.678 4.873 2.358 245 HG3 ARG 34 2HG ARG 34 15.515 3.792 3.128 246 HD2 ARG 34 1HD ARG 34 16.136 5.102 4.909 247 HD3 ARG 34 2HD ARG 34 17.276 3.766 5.062 248 HE ARG 34 HE ARG 34 18.479 5.701 3.471 249 HH11 ARG 34 2HH1 ARG 34 17.330 5.364 6.740 250 HH12 ARG 34 1HH1 ARG 34 18.478 6.484 7.397 251 HH21 ARG 34 2HH2 ARG 34 19.995 7.177 4.324 252 HH22 ARG 34 1HH2 ARG 34 19.992 7.515 6.022 253 HA PRO 35 HA PRO 35 15.317 3.135 -2.139 254 HB2 PRO 35 1HB PRO 35 12.740 3.942 -1.867 255 HB3 PRO 35 2HB PRO 35 13.198 2.249 -2.087 256 HG2 PRO 35 1HG PRO 35 12.507 3.713 0.432 257 HG3 PRO 35 2HG PRO 35 12.012 2.093 -0.093 258 HD2 PRO 35 1HD PRO 35 14.006 2.500 1.693 259 HD3 PRO 35 2HD PRO 35 14.006 1.136 0.556 260 H ALA 36 H ALA 36 15.018 5.168 -3.165 261 HA ALA 36 HA ALA 36 15.897 7.395 -1.595 262 HB1 ALA 36 1HB ALA 36 16.089 6.700 -4.245 263 HB2 ALA 36 2HB ALA 36 14.935 8.034 -4.270 264 HB3 ALA 36 3HB ALA 36 16.531 8.261 -3.554 265 H GLY 37 H GLY 37 12.845 6.349 -2.982 266 HA2 GLY 37 1HA GLY 37 11.429 8.230 -1.297 267 HA3 GLY 37 2HA GLY 37 11.267 8.534 -3.020 268 H TYR 38 H TYR 38 9.074 7.972 -1.420 269 HA TYR 38 HA TYR 38 8.328 5.276 -2.349 270 HB2 TYR 38 1HB TYR 38 7.729 6.700 0.217 271 HB3 TYR 38 2HB TYR 38 6.584 5.516 -0.403 272 HD1 TYR 38 2HD TYR 38 8.333 3.456 -1.519 273 HD2 TYR 38 1HD TYR 38 8.738 5.717 2.063 274 HE1 TYR 38 2HE TYR 38 9.669 1.642 -0.532 275 HE2 TYR 38 1HE TYR 38 10.076 3.909 3.060 276 HH TYR 38 HH TYR 38 10.623 1.685 2.835 277 H LEU 39 H LEU 39 6.474 5.058 -3.491 278 HA LEU 39 HA LEU 39 4.818 7.466 -3.858 279 HB2 LEU 39 1HB LEU 39 6.163 7.160 -5.828 280 HB3 LEU 39 2HB LEU 39 5.703 5.462 -5.926 281 HG LEU 39 HG LEU 39 3.277 6.541 -6.141 282 HD11 LEU 39 1HD1 LEU 39 4.288 8.514 -7.907 283 HD12 LEU 39 2HD1 LEU 39 5.001 8.790 -6.318 284 HD13 LEU 39 3HD1 LEU 39 3.248 8.726 -6.498 285 HD21 LEU 39 1HD2 LEU 39 4.921 5.169 -7.763 286 HD22 LEU 39 2HD2 LEU 39 4.827 6.691 -8.649 287 HD23 LEU 39 3HD2 LEU 39 3.353 5.797 -8.272 288 H LEU 40 H LEU 40 3.071 6.954 -2.652 289 HA LEU 40 HA LEU 40 1.887 4.294 -2.895 290 HB2 LEU 40 1HB LEU 40 2.237 5.363 -0.666 291 HB3 LEU 40 2HB LEU 40 1.048 6.581 -1.122 292 HG LEU 40 HG LEU 40 -0.543 4.563 -1.441 293 HD11 LEU 40 1HD1 LEU 40 0.982 3.208 0.680 294 HD12 LEU 40 2HD1 LEU 40 1.659 3.093 -0.944 295 HD13 LEU 40 3HD1 LEU 40 0.014 2.538 -0.634 296 HD21 LEU 40 1HD2 LEU 40 0.265 5.146 1.391 297 HD22 LEU 40 2HD2 LEU 40 -1.347 4.842 0.741 298 HD23 LEU 40 3HD2 LEU 40 -0.519 6.358 0.378 299 H SER 41 H SER 41 0.371 3.944 -4.363 300 HA SER 41 HA SER 41 -1.321 6.205 -5.209 301 HB2 SER 41 1HB SER 41 -0.349 3.795 -6.751 302 HB3 SER 41 2HB SER 41 -1.639 4.848 -7.331 303 HG SER 41 HG SER 41 0.108 6.554 -6.815 304 H PHE 42 H PHE 42 -3.294 6.086 -4.389 305 HA PHE 42 HA PHE 42 -4.552 3.434 -4.133 306 HB2 PHE 42 1HB PHE 42 -5.563 4.041 -2.107 307 HB3 PHE 42 2HB PHE 42 -3.933 4.694 -1.968 308 HD1 PHE 42 2HD PHE 42 -3.643 7.173 -2.716 309 HD2 PHE 42 1HD PHE 42 -7.368 5.400 -1.668 310 HE1 PHE 42 2HE PHE 42 -4.575 9.405 -2.268 311 HE2 PHE 42 1HE PHE 42 -8.307 7.630 -1.219 312 HZ PHE 42 HZ PHE 42 -6.910 9.636 -1.517 313 H HIS 43 H HIS 43 -6.238 3.172 -5.424 314 HA HIS 43 HA HIS 43 -7.785 5.550 -6.222 315 HB2 HIS 43 1HB HIS 43 -7.960 4.785 -8.398 316 HB3 HIS 43 2HB HIS 43 -6.341 4.235 -7.978 317 HD1 HIS 43 1HD HIS 43 -7.065 1.675 -6.424 318 HD2 HIS 43 2HD HIS 43 -8.778 2.777 -10.045 319 HE1 HIS 43 1HE HIS 43 -7.914 -0.461 -7.444 320 HE2 HIS 43 2HE HIS 43 -8.871 0.219 -9.672 321 H THR 44 H THR 44 -10.054 5.187 -6.677 322 HA THR 44 HA THR 44 -11.174 3.149 -4.893 323 HB THR 44 HB THR 44 -12.998 4.498 -4.543 324 HG1 THR 44 1HG THR 44 -14.019 5.144 -6.271 325 HG21 THR 44 1HG2 THR 44 -12.248 6.643 -4.034 326 HG22 THR 44 2HG2 THR 44 -11.196 6.717 -5.448 327 HG23 THR 44 3HG2 THR 44 -10.755 5.705 -4.072 328 HA PRO 45 HA PRO 45 -12.818 0.713 -8.157 329 HB2 PRO 45 1HB PRO 45 -15.094 -0.216 -7.006 330 HB3 PRO 45 2HB PRO 45 -13.484 -0.778 -6.541 331 HG2 PRO 45 1HG PRO 45 -15.241 1.248 -5.211 332 HG3 PRO 45 2HG PRO 45 -14.268 -0.042 -4.479 333 HD2 PRO 45 1HD PRO 45 -13.453 2.540 -4.544 334 HD3 PRO 45 2HD PRO 45 -12.317 1.178 -4.621 335 H GLY 46 H GLY 46 -13.210 2.692 -9.465 336 HA2 GLY 46 1HA GLY 46 -15.074 3.048 -11.077 337 HA3 GLY 46 2HA GLY 46 -16.103 3.264 -9.668 338 H GLY 47 H GLY 47 -13.359 4.648 -8.704 339 HA2 GLY 47 1HA GLY 47 -14.229 7.295 -9.667 340 HA3 GLY 47 2HA GLY 47 -13.403 6.999 -8.144 341 H GLN 48 H GLN 48 -12.127 8.856 -9.123 342 HA GLN 48 HA GLN 48 -10.288 8.151 -11.233 343 HB2 GLN 48 1HB GLN 48 -11.299 10.506 -10.536 344 HB3 GLN 48 2HB GLN 48 -9.866 10.553 -9.518 345 HG2 GLN 48 1HG GLN 48 -8.691 9.853 -11.786 346 HG3 GLN 48 2HG GLN 48 -10.107 10.653 -12.468 347 HE21 GLN 48 1HE2 GLN 48 -7.350 11.076 -10.332 348 HE22 GLN 48 2HE2 GLN 48 -7.245 12.792 -10.501 349 H THR 49 H THR 49 -7.951 8.271 -10.969 350 HA THR 49 HA THR 49 -7.129 6.965 -8.489 351 HB THR 49 HB THR 49 -5.536 7.365 -11.028 352 HG1 THR 49 1HG THR 49 -6.072 4.979 -11.125 353 HG21 THR 49 1HG2 THR 49 -3.822 6.352 -10.007 354 HG22 THR 49 2HG2 THR 49 -4.868 5.102 -9.332 355 HG23 THR 49 3HG2 THR 49 -4.679 6.642 -8.494 356 H GLN 50 H GLN 50 -5.719 7.817 -7.050 357 HA GLN 50 HA GLN 50 -4.647 10.497 -7.644 358 HB2 GLN 50 1HB GLN 50 -6.417 10.668 -5.997 359 HB3 GLN 50 2HB GLN 50 -5.673 9.410 -5.018 360 HG2 GLN 50 1HG GLN 50 -4.003 10.795 -4.260 361 HG3 GLN 50 2HG GLN 50 -4.129 11.880 -5.644 362 HE21 GLN 50 1HE2 GLN 50 -4.061 13.472 -3.854 363 HE22 GLN 50 2HE2 GLN 50 -5.559 13.934 -3.129 364 H GLU 51 H GLU 51 -2.582 11.000 -6.885 365 HA GLU 51 HA GLU 51 -0.996 8.682 -5.992 366 HB2 GLU 51 1HB GLU 51 -0.196 10.960 -7.807 367 HB3 GLU 51 2HB GLU 51 0.932 9.781 -7.153 368 HG2 GLU 51 1HG GLU 51 -0.430 7.998 -8.262 369 HG3 GLU 51 2HG GLU 51 -1.338 9.282 -9.057 370 H ILE 52 H ILE 52 0.357 8.931 -4.284 371 HA ILE 52 HA ILE 52 0.412 11.592 -3.014 372 HB ILE 52 HB ILE 52 0.697 9.003 -1.508 373 HG12 ILE 52 1HG1 ILE 52 -1.875 10.558 -1.692 374 HG13 ILE 52 2HG1 ILE 52 -1.514 9.249 -2.813 375 HG21 ILE 52 1HG2 ILE 52 0.185 10.335 0.417 376 HG22 ILE 52 2HG2 ILE 52 1.473 11.133 -0.484 377 HG23 ILE 52 3HG2 ILE 52 -0.182 11.735 -0.591 378 HD11 ILE 52 1HD1 ILE 52 -2.907 8.519 -0.943 379 HD12 ILE 52 2HD1 ILE 52 -1.352 7.687 -0.971 380 HD13 ILE 52 3HD1 ILE 52 -1.634 8.991 0.182 381 H LEU 53 H LEU 53 2.333 12.350 -2.203 382 HA LEU 53 HA LEU 53 4.725 10.871 -3.041 383 HB2 LEU 53 1HB LEU 53 4.120 13.343 -3.689 384 HB3 LEU 53 2HB LEU 53 4.800 13.700 -2.103 385 HG LEU 53 HG LEU 53 6.461 14.036 -3.832 386 HD11 LEU 53 1HD1 LEU 53 8.218 12.943 -2.796 387 HD12 LEU 53 2HD1 LEU 53 7.268 11.490 -2.488 388 HD13 LEU 53 3HD1 LEU 53 6.977 12.950 -1.543 389 HD21 LEU 53 1HD2 LEU 53 5.266 11.968 -5.140 390 HD22 LEU 53 2HD2 LEU 53 6.738 11.206 -4.537 391 HD23 LEU 53 3HD2 LEU 53 6.842 12.647 -5.550 392 H LEU 54 H LEU 54 5.092 9.493 -1.344 393 HA LEU 54 HA LEU 54 4.948 10.289 1.386 394 HB2 LEU 54 1HB LEU 54 5.907 7.895 -0.097 395 HB3 LEU 54 2HB LEU 54 6.427 8.106 1.574 396 HG LEU 54 HG LEU 54 3.998 8.239 2.207 397 HD11 LEU 54 1HD1 LEU 54 3.640 7.323 -0.642 398 HD12 LEU 54 2HD1 LEU 54 3.056 8.829 0.065 399 HD13 LEU 54 3HD1 LEU 54 2.389 7.287 0.600 400 HD21 LEU 54 1HD2 LEU 54 5.575 6.152 2.163 401 HD22 LEU 54 2HD2 LEU 54 4.499 5.619 0.871 402 HD23 LEU 54 3HD2 LEU 54 3.850 5.961 2.475 403 HA PRO 55 HA PRO 55 8.891 12.065 2.127 404 HB2 PRO 55 1HB PRO 55 9.512 11.079 4.578 405 HB3 PRO 55 2HB PRO 55 8.261 12.301 4.324 406 HG2 PRO 55 1HG PRO 55 7.973 9.345 4.695 407 HG3 PRO 55 2HG PRO 55 7.011 10.660 5.396 408 HD2 PRO 55 1HD PRO 55 6.171 9.217 3.264 409 HD3 PRO 55 2HD PRO 55 5.754 10.929 3.483 410 H GLY 56 H GLY 56 8.535 8.713 1.769 411 HA2 GLY 56 1HA GLY 56 9.999 7.050 1.169 412 HA3 GLY 56 2HA GLY 56 11.111 8.334 0.716 413 H GLY 57 H GLY 57 10.059 6.233 3.330 414 HA2 GLY 57 1HA GLY 57 12.284 5.381 4.416 415 HA3 GLY 57 2HA GLY 57 12.360 7.053 4.951 416 H ILE 58 H ILE 58 9.540 4.922 4.685 417 HA ILE 58 HA ILE 58 9.307 4.937 7.612 418 HB ILE 58 HB ILE 58 7.023 5.540 7.597 419 HG12 ILE 58 1HG1 ILE 58 7.166 5.325 4.584 420 HG13 ILE 58 2HG1 ILE 58 6.265 4.277 5.674 421 HG21 ILE 58 1HG2 ILE 58 7.770 7.495 5.540 422 HG22 ILE 58 2HG2 ILE 58 7.299 7.737 7.222 423 HG23 ILE 58 3HG2 ILE 58 8.957 7.281 6.827 424 HD11 ILE 58 1HD1 ILE 58 4.579 5.763 5.926 425 HD12 ILE 58 2HD1 ILE 58 5.636 7.164 5.748 426 HD13 ILE 58 3HD1 ILE 58 5.130 6.253 4.325 427 H THR 59 H THR 59 7.423 3.420 8.272 428 HA THR 59 HA THR 59 7.540 1.005 6.585 429 HB THR 59 HB THR 59 7.410 -0.349 8.634 430 HG1 THR 59 1HG THR 59 7.197 2.189 9.794 431 HG21 THR 59 1HG2 THR 59 9.614 0.562 7.590 432 HG22 THR 59 2HG2 THR 59 9.665 -0.224 9.167 433 HG23 THR 59 3HG2 THR 59 9.698 1.535 9.057 434 H SER 60 H SER 60 5.560 3.362 7.847 435 HA SER 60 HA SER 60 3.185 1.869 7.137 436 HB2 SER 60 1HB SER 60 2.071 2.556 9.340 437 HB3 SER 60 2HB SER 60 3.213 1.214 9.412 438 HG SER 60 HG SER 60 4.804 2.825 10.049 439 H HIS 61 H HIS 61 1.657 3.157 6.276 440 HA HIS 61 HA HIS 61 2.005 6.068 6.578 441 HB2 HIS 61 1HB HIS 61 2.496 4.844 4.280 442 HB3 HIS 61 2HB HIS 61 0.744 4.932 4.120 443 HD1 HIS 61 1HD HIS 61 0.479 6.732 2.411 444 HD2 HIS 61 2HD HIS 61 3.059 7.832 5.476 445 HE1 HIS 61 1HE HIS 61 0.995 9.161 2.016 446 HE2 HIS 61 2HE HIS 61 2.624 9.782 3.833 447 H GLN 62 H GLN 62 0.173 7.330 6.790 448 HA GLN 62 HA GLN 62 -2.257 5.852 7.500 449 HB2 GLN 62 1HB GLN 62 -1.101 7.499 9.099 450 HB3 GLN 62 2HB GLN 62 -1.744 8.763 8.061 451 HG2 GLN 62 1HG GLN 62 -3.166 6.903 9.892 452 HG3 GLN 62 2HG GLN 62 -3.361 8.641 9.671 453 HE21 GLN 62 1HE2 GLN 62 -4.581 5.600 8.956 454 HE22 GLN 62 2HE2 GLN 62 -5.724 6.059 7.744 455 H LEU 63 H LEU 63 -3.954 5.873 6.190 456 HA LEU 63 HA LEU 63 -4.022 7.829 4.007 457 HB2 LEU 63 1HB LEU 63 -5.258 5.126 4.399 458 HB3 LEU 63 2HB LEU 63 -5.851 6.230 3.159 459 HG LEU 63 HG LEU 63 -3.004 5.249 3.317 460 HD11 LEU 63 1HD1 LEU 63 -3.780 3.910 1.266 461 HD12 LEU 63 2HD1 LEU 63 -5.406 4.146 1.906 462 HD13 LEU 63 3HD1 LEU 63 -4.194 3.301 2.869 463 HD21 LEU 63 1HD2 LEU 63 -4.188 6.184 0.793 464 HD22 LEU 63 2HD2 LEU 63 -2.585 6.467 1.472 465 HD23 LEU 63 3HD2 LEU 63 -3.960 7.424 2.026 466 H LEU 64 H LEU 64 -5.502 9.395 3.941 467 HA LEU 64 HA LEU 64 -7.738 9.264 5.855 468 HB2 LEU 64 1HB LEU 64 -6.297 11.666 4.743 469 HB3 LEU 64 2HB LEU 64 -7.721 11.738 5.780 470 HG LEU 64 HG LEU 64 -5.089 10.526 6.615 471 HD11 LEU 64 1HD1 LEU 64 -5.244 12.743 8.083 472 HD12 LEU 64 2HD1 LEU 64 -6.066 13.319 6.633 473 HD13 LEU 64 3HD1 LEU 64 -4.422 12.689 6.523 474 HD21 LEU 64 1HD2 LEU 64 -6.803 11.507 8.705 475 HD22 LEU 64 2HD2 LEU 64 -6.136 9.891 8.467 476 HD23 LEU 64 3HD2 LEU 64 -7.660 10.339 7.699 477 H GLY 65 H GLY 65 -9.736 10.334 5.198 478 HA2 GLY 65 1HA GLY 65 -11.415 10.834 3.703 479 HA3 GLY 65 2HA GLY 65 -10.176 11.078 2.480 480 H LEU 66 H LEU 66 -11.836 8.481 4.257 481 HA LEU 66 HA LEU 66 -11.715 6.867 1.794 482 HB2 LEU 66 1HB LEU 66 -11.731 5.915 4.654 483 HB3 LEU 66 2HB LEU 66 -11.770 4.875 3.232 484 HG LEU 66 HG LEU 66 -9.494 6.673 4.065 485 HD11 LEU 66 1HD1 LEU 66 -8.576 4.925 5.102 486 HD12 LEU 66 2HD1 LEU 66 -9.022 3.811 3.810 487 HD13 LEU 66 3HD1 LEU 66 -10.189 4.213 5.069 488 HD21 LEU 66 1HD2 LEU 66 -8.271 5.673 2.218 489 HD22 LEU 66 2HD2 LEU 66 -9.709 6.506 1.628 490 HD23 LEU 66 3HD2 LEU 66 -9.698 4.746 1.753 491 H PHE 67 H PHE 67 -13.470 5.032 1.963 492 HA PHE 67 HA PHE 67 -16.001 6.339 2.717 493 HB2 PHE 67 1HB PHE 67 -15.404 4.448 0.436 494 HB3 PHE 67 2HB PHE 67 -17.029 4.944 0.899 495 HD1 PHE 67 2HD PHE 67 -16.675 7.787 1.467 496 HD2 PHE 67 1HD PHE 67 -15.027 5.389 -1.639 497 HE1 PHE 67 2HE PHE 67 -16.472 9.781 0.040 498 HE2 PHE 67 1HE PHE 67 -14.820 7.379 -3.071 499 HZ PHE 67 HZ PHE 67 -15.544 9.578 -2.233 500 HA PRO 68 HA PRO 68 -16.884 2.987 5.416 501 HB2 PRO 68 1HB PRO 68 -19.598 3.000 5.329 502 HB3 PRO 68 2HB PRO 68 -18.657 4.239 6.169 503 HG2 PRO 68 1HG PRO 68 -19.915 4.332 3.454 504 HG3 PRO 68 2HG PRO 68 -19.884 5.577 4.716 505 HD2 PRO 68 1HD PRO 68 -18.221 5.627 2.580 506 HD3 PRO 68 2HD PRO 68 -17.749 6.255 4.172 507 H SER 69 H SER 69 -16.508 0.931 4.889 508 HA SER 69 HA SER 69 -16.719 -1.142 3.977 509 HB2 SER 69 1HB SER 69 -19.102 -0.867 4.663 510 HB3 SER 69 2HB SER 69 -19.450 -0.203 3.066 511 HG SER 69 HG SER 69 -19.795 -2.563 3.454 512 H THR 70 H THR 70 -15.389 0.812 2.491 513 HA THR 70 HA THR 70 -16.086 0.056 -0.273 514 HB THR 70 HB THR 70 -14.701 2.580 0.657 515 HG1 THR 70 1HG THR 70 -16.780 3.344 -0.517 516 HG21 THR 70 1HG2 THR 70 -15.685 2.556 -2.066 517 HG22 THR 70 2HG2 THR 70 -14.495 1.283 -1.799 518 HG23 THR 70 3HG2 THR 70 -14.083 2.963 -1.455 519 H SER 71 H SER 71 -14.657 -1.196 -1.266 520 HA SER 71 HA SER 71 -12.172 -1.886 -0.052 521 HB2 SER 71 1HB SER 71 -13.438 -3.520 -1.365 522 HB3 SER 71 2HB SER 71 -13.244 -2.529 -2.811 523 HG SER 71 HG SER 71 -10.844 -2.815 -2.093 524 H TYR 72 H TYR 72 -10.129 -1.252 -0.522 525 HA TYR 72 HA TYR 72 -9.780 0.732 -2.670 526 HB2 TYR 72 1HB TYR 72 -8.911 0.859 0.197 527 HB3 TYR 72 2HB TYR 72 -7.968 1.684 -1.040 528 HD1 TYR 72 1HD TYR 72 -11.187 1.587 0.724 529 HD2 TYR 72 2HD TYR 72 -8.826 3.646 -2.156 530 HE1 TYR 72 1HE TYR 72 -12.735 3.496 0.828 531 HE2 TYR 72 2HE TYR 72 -10.366 5.561 -2.058 532 HH TYR 72 HH TYR 72 -12.837 5.812 0.343 533 H ASN 73 H ASN 73 -7.840 0.683 -3.785 534 HA ASN 73 HA ASN 73 -6.168 -1.688 -3.275 535 HB2 ASN 73 1HB ASN 73 -7.566 -1.392 -5.480 536 HB3 ASN 73 2HB ASN 73 -6.245 -0.321 -5.939 537 HD21 ASN 73 1HD2 ASN 73 -6.566 -3.473 -4.331 538 HD22 ASN 73 2HD2 ASN 73 -5.379 -4.274 -5.297 539 H ALA 74 H ALA 74 -4.482 -0.946 -2.111 540 HA ALA 74 HA ALA 74 -3.173 1.547 -2.905 541 HB1 ALA 74 1HB ALA 74 -2.700 -0.203 -0.494 542 HB2 ALA 74 2HB ALA 74 -1.955 1.367 -0.799 543 HB3 ALA 74 3HB ALA 74 -3.696 1.252 -0.536 544 H ARG 75 H ARG 75 -0.967 1.665 -3.403 545 HA ARG 75 HA ARG 75 0.462 -0.854 -3.814 546 HB2 ARG 75 1HB ARG 75 -0.502 -0.524 -5.965 547 HB3 ARG 75 2HB ARG 75 -0.124 1.194 -5.947 548 HG2 ARG 75 1HG ARG 75 2.332 0.439 -5.862 549 HG3 ARG 75 2HG ARG 75 1.710 -1.131 -6.374 550 HD2 ARG 75 1HD ARG 75 2.382 0.098 -8.321 551 HD3 ARG 75 2HD ARG 75 0.622 -0.008 -8.302 552 HE ARG 75 HE ARG 75 1.315 2.376 -7.057 553 HH11 ARG 75 2HH1 ARG 75 1.593 0.911 -10.203 554 HH12 ARG 75 1HH1 ARG 75 1.548 2.420 -11.053 555 HH21 ARG 75 2HH2 ARG 75 1.254 4.369 -8.165 556 HH22 ARG 75 1HH2 ARG 75 1.355 4.386 -9.893 557 H LEU 76 H LEU 76 2.440 -0.701 -3.003 558 HA LEU 76 HA LEU 76 3.567 1.959 -2.518 559 HB2 LEU 76 1HB LEU 76 3.317 0.280 -0.662 560 HB3 LEU 76 2HB LEU 76 4.547 -0.689 -1.471 561 HG LEU 76 HG LEU 76 6.088 1.308 -1.226 562 HD11 LEU 76 1HD1 LEU 76 4.101 2.848 -0.731 563 HD12 LEU 76 2HD1 LEU 76 5.563 3.049 0.234 564 HD13 LEU 76 3HD1 LEU 76 4.175 2.194 0.905 565 HD21 LEU 76 1HD2 LEU 76 5.129 0.154 1.382 566 HD22 LEU 76 2HD2 LEU 76 6.760 0.671 0.952 567 HD23 LEU 76 3HD2 LEU 76 6.066 -0.769 0.206 568 H GLN 77 H GLN 77 4.856 2.693 -4.071 569 HA GLN 77 HA GLN 77 6.724 0.803 -5.343 570 HB2 GLN 77 1HB GLN 77 4.786 1.963 -6.714 571 HB3 GLN 77 2HB GLN 77 5.904 3.321 -6.723 572 HG2 GLN 77 1HG GLN 77 7.609 1.499 -7.532 573 HG3 GLN 77 2HG GLN 77 6.139 0.659 -8.024 574 HE21 GLN 77 1HE2 GLN 77 7.542 1.110 -10.072 575 HE22 GLN 77 2HE2 GLN 77 7.075 2.511 -10.968 576 H ALA 78 H ALA 78 8.742 1.155 -4.723 577 HA ALA 78 HA ALA 78 9.521 3.784 -3.725 578 HB1 ALA 78 1HB ALA 78 10.317 1.062 -3.193 579 HB2 ALA 78 2HB ALA 78 11.716 2.082 -3.531 580 HB3 ALA 78 3HB ALA 78 10.595 2.523 -2.243 581 H MET 79 H MET 79 11.159 5.023 -4.590 582 HA MET 79 HA MET 79 11.744 4.524 -7.390 583 HB2 MET 79 1HB MET 79 12.635 6.879 -5.730 584 HB3 MET 79 2HB MET 79 12.511 6.784 -7.481 585 HG2 MET 79 1HG MET 79 10.043 6.509 -7.206 586 HG3 MET 79 2HG MET 79 10.261 6.845 -5.490 587 HE1 MET 79 1HE MET 79 9.826 10.381 -5.220 588 HE2 MET 79 2HE MET 79 9.800 8.740 -4.575 589 HE3 MET 79 3HE MET 79 11.328 9.611 -4.711 590 H TRP 80 H TRP 80 13.496 3.459 -8.004 591 HA TRP 80 HA TRP 80 15.895 3.594 -6.296 592 HB2 TRP 80 1HB TRP 80 14.597 1.291 -7.682 593 HB3 TRP 80 2HB TRP 80 16.353 1.300 -7.545 594 HD1 TRP 80 HD TRP 80 17.356 1.336 -4.986 595 HE1 TRP 80 1HE TRP 80 16.380 0.337 -2.823 596 HE3 TRP 80 3HE TRP 80 12.495 0.777 -6.470 597 HZ2 TRP 80 2HZ TRP 80 13.881 -0.569 -1.873 598 HZ3 TRP 80 3HZ TRP 80 10.876 -0.164 -4.874 599 HH2 TRP 80 HH TRP 80 11.556 -0.823 -2.624 600 H GLY 81 H GLY 81 17.057 5.144 -7.336 601 HA2 GLY 81 1HA GLY 81 18.053 6.278 -9.105 602 HA3 GLY 81 2HA GLY 81 18.749 4.684 -9.357 603 H GLN 82 H GLN 82 18.762 4.376 -11.492 604 HA GLN 82 HA GLN 82 16.630 5.358 -13.171 605 HB2 GLN 82 1HB GLN 82 19.169 3.831 -13.706 606 HB3 GLN 82 2HB GLN 82 17.985 4.134 -14.971 607 HG2 GLN 82 1HG GLN 82 18.328 6.443 -14.901 608 HG3 GLN 82 2HG GLN 82 19.137 6.364 -13.337 609 HE21 GLN 82 1HE2 GLN 82 19.449 5.806 -16.760 610 HE22 GLN 82 2HE2 GLN 82 21.173 5.713 -16.791 611 H SER 83 H SER 83 15.612 3.586 -11.315 612 HA SER 83 HA SER 83 14.400 1.635 -13.050 613 HB2 SER 83 1HB SER 83 16.236 0.789 -10.812 614 HB3 SER 83 2HB SER 83 14.954 -0.262 -11.414 615 HG SER 83 HG SER 83 16.204 -0.740 -13.020 616 H LEU 84 H LEU 84 12.542 0.626 -12.105 617 HA LEU 84 HA LEU 84 11.630 1.863 -9.596 618 HB2 LEU 84 1HB LEU 84 10.019 1.466 -12.113 619 HB3 LEU 84 2HB LEU 84 9.362 1.998 -10.566 620 HG LEU 84 HG LEU 84 11.452 3.534 -12.100 621 HD11 LEU 84 1HD1 LEU 84 9.150 4.980 -12.296 622 HD12 LEU 84 2HD1 LEU 84 8.561 3.330 -12.497 623 HD13 LEU 84 3HD1 LEU 84 9.816 3.954 -13.567 624 HD21 LEU 84 1HD2 LEU 84 9.667 4.198 -9.765 625 HD22 LEU 84 2HD2 LEU 84 10.613 5.390 -10.658 626 HD23 LEU 84 3HD2 LEU 84 11.427 4.096 -9.776 627 H LEU 85 H LEU 85 12.355 -0.175 -8.671 628 HA LEU 85 HA LEU 85 11.719 -2.716 -9.235 629 HB2 LEU 85 1HB LEU 85 11.360 -1.472 -6.512 630 HB3 LEU 85 2HB LEU 85 11.594 -3.187 -6.844 631 HG LEU 85 HG LEU 85 13.608 -0.975 -7.227 632 HD11 LEU 85 1HD1 LEU 85 14.079 -3.364 -5.538 633 HD12 LEU 85 2HD1 LEU 85 12.982 -2.130 -4.919 634 HD13 LEU 85 3HD1 LEU 85 14.640 -1.703 -5.341 635 HD21 LEU 85 1HD2 LEU 85 13.723 -3.896 -7.952 636 HD22 LEU 85 2HD2 LEU 85 15.149 -2.869 -7.801 637 HD23 LEU 85 3HD2 LEU 85 13.926 -2.507 -9.021 638 HA PRO 86 HA PRO 86 7.368 -3.284 -9.413 639 HB2 PRO 86 1HB PRO 86 7.150 -5.842 -8.531 640 HB3 PRO 86 2HB PRO 86 7.803 -5.426 -10.120 641 HG2 PRO 86 1HG PRO 86 9.257 -6.106 -7.593 642 HG3 PRO 86 2HG PRO 86 9.589 -6.637 -9.253 643 HD2 PRO 86 1HD PRO 86 10.985 -4.652 -8.052 644 HD3 PRO 86 2HD PRO 86 10.668 -4.675 -9.799 645 HA PRO 87 HA PRO 87 6.212 -2.201 -5.210 646 HB2 PRO 87 1HB PRO 87 3.713 -1.360 -5.855 647 HB3 PRO 87 2HB PRO 87 5.156 -0.373 -6.116 648 HG2 PRO 87 1HG PRO 87 3.634 -2.056 -8.068 649 HG3 PRO 87 2HG PRO 87 4.306 -0.429 -8.279 650 HD2 PRO 87 1HD PRO 87 5.535 -2.647 -9.227 651 HD3 PRO 87 2HD PRO 87 6.435 -1.222 -8.669 652 H VAL 88 H VAL 88 3.830 -2.526 -4.134 653 HA VAL 88 HA VAL 88 3.003 -5.298 -4.679 654 HB VAL 88 HB VAL 88 2.613 -5.366 -2.094 655 HG11 VAL 88 1HG1 VAL 88 5.474 -5.635 -2.454 656 HG12 VAL 88 2HG1 VAL 88 4.253 -6.873 -2.154 657 HG13 VAL 88 3HG1 VAL 88 4.573 -6.330 -3.801 658 HG21 VAL 88 1HG2 VAL 88 5.033 -3.624 -2.025 659 HG22 VAL 88 2HG2 VAL 88 3.435 -2.880 -2.047 660 HG23 VAL 88 3HG2 VAL 88 3.873 -3.989 -0.748 661 H SER 89 H SER 89 0.931 -5.317 -5.217 662 HA SER 89 HA SER 89 -0.830 -3.194 -4.234 663 HB2 SER 89 1HB SER 89 -2.383 -3.953 -6.003 664 HB3 SER 89 2HB SER 89 -0.800 -3.533 -6.656 665 HG SER 89 HG SER 89 -2.082 -5.791 -6.962 666 H THR 90 H THR 90 -2.476 -3.557 -2.867 667 HA THR 90 HA THR 90 -3.313 -6.311 -2.327 668 HB THR 90 HB THR 90 -1.570 -5.665 -0.643 669 HG1 THR 90 1HG THR 90 -4.108 -5.943 0.594 670 HG21 THR 90 1HG2 THR 90 -1.815 -3.909 0.813 671 HG22 THR 90 2HG2 THR 90 -3.574 -3.905 0.683 672 HG23 THR 90 3HG2 THR 90 -2.592 -3.228 -0.616 673 H SER 91 H SER 91 -5.413 -6.523 -1.511 674 HA SER 91 HA SER 91 -7.055 -4.097 -1.789 675 HB2 SER 91 1HB SER 91 -8.945 -5.783 -2.113 676 HB3 SER 91 2HB SER 91 -7.748 -5.695 -3.404 677 HG SER 91 HG SER 91 -8.407 -7.783 -1.819 678 H PHE 92 H PHE 92 -8.042 -3.305 -0.055 679 HA PHE 92 HA PHE 92 -8.567 -5.086 2.223 680 HB2 PHE 92 1HB PHE 92 -7.809 -3.388 3.789 681 HB3 PHE 92 2HB PHE 92 -6.509 -3.780 2.668 682 HD1 PHE 92 1HD PHE 92 -6.151 -2.222 0.681 683 HD2 PHE 92 2HD PHE 92 -8.505 -1.190 4.074 684 HE1 PHE 92 1HE PHE 92 -5.922 0.160 0.111 685 HE2 PHE 92 2HE PHE 92 -8.281 1.194 3.509 686 HZ PHE 92 HZ PHE 92 -6.988 1.872 1.525 687 H THR 93 H THR 93 -10.492 -4.795 3.220 688 HA THR 93 HA THR 93 -12.274 -2.770 2.064 689 HB THR 93 HB THR 93 -13.109 -5.107 3.779 690 HG1 THR 93 1HG THR 93 -12.094 -5.983 1.977 691 HG21 THR 93 1HG2 THR 93 -15.250 -4.572 3.243 692 HG22 THR 93 2HG2 THR 93 -14.815 -3.983 1.638 693 HG23 THR 93 3HG2 THR 93 -14.554 -2.964 3.053 694 H THR 94 H THR 94 -13.200 -1.201 3.265 695 HA THR 94 HA THR 94 -12.199 -0.807 5.956 696 HB THR 94 HB THR 94 -13.426 1.373 5.821 697 HG1 THR 94 1HG THR 94 -14.802 1.653 4.245 698 HG21 THR 94 1HG2 THR 94 -11.526 2.195 4.997 699 HG22 THR 94 2HG2 THR 94 -11.927 1.614 3.381 700 HG23 THR 94 3HG2 THR 94 -11.077 0.561 4.511 701 H GLY 95 H GLY 95 -13.642 -0.198 7.731 702 HA2 GLY 95 1HA GLY 95 -15.759 -2.094 8.025 703 HA3 GLY 95 2HA GLY 95 -15.296 -0.864 9.191 704 H GLY 96 H GLY 96 -17.746 -0.919 9.387 705 HA2 GLY 96 1HA GLY 96 -18.961 0.850 7.359 706 HA3 GLY 96 2HA GLY 96 -19.860 -0.295 8.343 707 H LEU 97 H LEU 97 -20.316 2.553 8.027 708 HA LEU 97 HA LEU 97 -19.415 3.884 10.394 709 HB2 LEU 97 1HB LEU 97 -21.351 4.504 8.208 710 HB3 LEU 97 2HB LEU 97 -21.369 5.472 9.681 711 HG LEU 97 HG LEU 97 -18.917 5.103 7.969 712 HD11 LEU 97 1HD1 LEU 97 -21.125 6.344 7.065 713 HD12 LEU 97 2HD1 LEU 97 -19.485 6.840 6.652 714 HD13 LEU 97 3HD1 LEU 97 -20.359 7.672 7.937 715 HD21 LEU 97 1HD2 LEU 97 -18.279 5.776 10.126 716 HD22 LEU 97 2HD2 LEU 97 -19.647 6.879 10.280 717 HD23 LEU 97 3HD2 LEU 97 -18.322 7.264 9.180 718 H ARG 98 H ARG 98 -20.074 2.242 11.948 719 HA ARG 98 HA ARG 98 -22.548 2.915 13.189 720 HB2 ARG 98 1HB ARG 98 -23.443 1.408 11.495 721 HB3 ARG 98 2HB ARG 98 -22.296 0.162 11.967 722 HG2 ARG 98 1HG ARG 98 -24.428 -0.375 12.895 723 HG3 ARG 98 2HG ARG 98 -23.356 0.112 14.210 724 HD2 ARG 98 1HD ARG 98 -24.356 2.438 13.948 725 HD3 ARG 98 2HD ARG 98 -25.587 1.677 12.941 726 HE ARG 98 HE ARG 98 -25.370 1.553 15.798 727 HH11 ARG 98 2HH1 ARG 98 -26.545 -0.086 12.959 728 HH12 ARG 98 1HH1 ARG 98 -27.771 -0.962 13.813 729 HH21 ARG 98 2HH2 ARG 98 -26.982 0.405 16.933 730 HH22 ARG 98 1HH2 ARG 98 -28.020 -0.682 16.074 731 H ILE 99 H ILE 99 -22.417 2.562 15.331 732 HA ILE 99 HA ILE 99 -20.101 1.031 16.296 733 HB ILE 99 HB ILE 99 -21.722 3.155 17.705 734 HG12 ILE 99 1HG1 ILE 99 -19.365 4.280 17.591 735 HG13 ILE 99 2HG1 ILE 99 -19.087 3.155 16.267 736 HG21 ILE 99 1HG2 ILE 99 -19.123 2.345 18.801 737 HG22 ILE 99 2HG2 ILE 99 -20.638 2.715 19.622 738 HG23 ILE 99 3HG2 ILE 99 -20.389 1.122 18.907 739 HD11 ILE 99 1HD1 ILE 99 -20.334 5.652 16.163 740 HD12 ILE 99 2HD1 ILE 99 -20.198 4.458 14.872 741 HD13 ILE 99 3HD1 ILE 99 -21.612 4.461 15.925 742 H SER 100 H SER 100 -20.425 -0.849 17.272 743 HA SER 100 HA SER 100 -23.145 -1.594 18.045 744 HB2 SER 100 1HB SER 100 -21.759 -3.081 16.552 745 HB3 SER 100 2HB SER 100 -20.698 -3.369 17.931 746 HG SER 100 HG SER 100 -22.658 -4.823 17.421 747 H GLY 101 H GLY 101 -23.306 -3.037 20.033 748 HA2 GLY 101 1HA GLY 101 -22.863 -1.672 22.337 749 HA3 GLY 101 2HA GLY 101 -22.948 -3.426 22.281 750 HA PRO 102 HA PRO 102 -18.566 -1.669 23.249 751 HB2 PRO 102 1HB PRO 102 -18.683 -1.398 25.948 752 HB3 PRO 102 2HB PRO 102 -19.051 -0.077 24.833 753 HG2 PRO 102 1HG PRO 102 -20.923 -1.905 26.287 754 HG3 PRO 102 2HG PRO 102 -21.036 -0.153 26.041 755 HD2 PRO 102 1HD PRO 102 -22.442 -1.927 24.555 756 HD3 PRO 102 2HD PRO 102 -21.864 -0.380 23.902 757 H SER 103 H SER 103 -17.157 -3.293 23.363 758 HA SER 103 HA SER 103 -17.899 -5.691 24.903 759 HB2 SER 103 1HB SER 103 -17.616 -6.006 22.448 760 HB3 SER 103 2HB SER 103 -15.939 -5.484 22.604 761 HG SER 103 HG SER 103 -15.442 -7.398 23.299 762 H SER 104 H SER 104 -17.072 -4.931 26.879 763 HA SER 104 HA SER 104 -14.251 -5.392 27.218 764 HB2 SER 104 1HB SER 104 -15.425 -2.638 27.575 765 HB3 SER 104 2HB SER 104 -13.966 -3.144 28.426 766 HG SER 104 HG SER 104 -13.004 -3.542 26.402 767 H GLY 105 H GLY 105 -13.653 -5.715 29.399 768 HA2 GLY 105 1HA GLY 105 -15.904 -5.766 31.307 769 HA3 GLY 105 2HA GLY 105 -14.841 -7.154 31.121 Start of MODEL 10 1 H1 GLY 1 H GLY 1 23.155 -17.113 -16.365 2 HA2 GLY 1 1HA GLY 1 23.221 -14.796 -17.649 3 HA3 GLY 1 2HA GLY 1 21.639 -15.374 -18.152 4 H SER 2 H SER 2 22.903 -13.230 -16.209 5 HA SER 2 HA SER 2 20.909 -13.677 -14.087 6 HB2 SER 2 1HB SER 2 23.269 -13.989 -13.294 7 HB3 SER 2 2HB SER 2 23.581 -12.305 -13.715 8 HG SER 2 HG SER 2 21.678 -11.890 -12.278 9 H SER 3 H SER 3 19.465 -12.101 -13.842 10 HA SER 3 HA SER 3 19.781 -9.665 -15.409 11 HB2 SER 3 1HB SER 3 17.370 -9.285 -14.689 12 HB3 SER 3 2HB SER 3 17.657 -10.705 -15.693 13 HG SER 3 HG SER 3 17.771 -10.986 -12.911 14 H GLY 4 H GLY 4 19.920 -7.629 -14.577 15 HA2 GLY 4 1HA GLY 4 20.170 -5.951 -13.021 16 HA3 GLY 4 2HA GLY 4 19.386 -7.000 -11.849 17 H SER 5 H SER 5 22.290 -5.578 -12.810 18 HA SER 5 HA SER 5 24.139 -7.458 -11.765 19 HB2 SER 5 1HB SER 5 24.376 -4.483 -12.259 20 HB3 SER 5 2HB SER 5 25.726 -5.508 -11.774 21 HG SER 5 HG SER 5 25.779 -6.385 -13.714 22 H SER 6 H SER 6 22.949 -4.370 -10.434 23 HA SER 6 HA SER 6 24.162 -4.679 -7.911 24 HB2 SER 6 1HB SER 6 23.290 -2.524 -8.875 25 HB3 SER 6 2HB SER 6 21.659 -3.090 -8.514 26 HG SER 6 HG SER 6 22.030 -2.876 -6.403 27 H GLY 7 H GLY 7 23.166 -5.111 -5.858 28 HA2 GLY 7 1HA GLY 7 21.153 -7.232 -6.070 29 HA3 GLY 7 2HA GLY 7 22.207 -6.942 -4.694 30 H LEU 8 H LEU 8 19.489 -5.520 -6.483 31 HA LEU 8 HA LEU 8 18.747 -3.790 -4.326 32 HB2 LEU 8 1HB LEU 8 17.652 -4.495 -6.992 33 HB3 LEU 8 2HB LEU 8 16.540 -3.804 -5.812 34 HG LEU 8 HG LEU 8 17.520 -2.152 -7.396 35 HD11 LEU 8 1HD1 LEU 8 18.168 -0.520 -5.621 36 HD12 LEU 8 2HD1 LEU 8 18.091 -1.841 -4.456 37 HD13 LEU 8 3HD1 LEU 8 16.640 -1.351 -5.329 38 HD21 LEU 8 1HD2 LEU 8 19.799 -3.367 -7.320 39 HD22 LEU 8 2HD2 LEU 8 20.084 -2.406 -5.869 40 HD23 LEU 8 3HD2 LEU 8 19.776 -1.605 -7.411 41 H GLU 9 H GLU 9 16.415 -3.874 -3.497 42 HA GLU 9 HA GLU 9 15.361 -6.560 -3.161 43 HB2 GLU 9 1HB GLU 9 16.697 -5.009 -0.994 44 HB3 GLU 9 2HB GLU 9 15.259 -5.931 -0.580 45 HG2 GLU 9 1HG GLU 9 17.775 -7.021 -1.820 46 HG3 GLU 9 2HG GLU 9 17.261 -7.218 -0.145 47 H ALA 10 H ALA 10 13.192 -6.587 -2.858 48 HA ALA 10 HA ALA 10 11.849 -3.978 -2.785 49 HB1 ALA 10 1HB ALA 10 11.385 -5.480 -4.700 50 HB2 ALA 10 2HB ALA 10 10.699 -6.651 -3.573 51 HB3 ALA 10 3HB ALA 10 9.944 -5.070 -3.770 52 HA PRO 11 HA PRO 11 10.207 -4.627 1.237 53 HB2 PRO 11 1HB PRO 11 7.829 -3.334 1.028 54 HB3 PRO 11 2HB PRO 11 9.379 -2.488 1.104 55 HG2 PRO 11 1HG PRO 11 7.696 -3.146 -1.282 56 HG3 PRO 11 2HG PRO 11 8.554 -1.642 -0.899 57 HD2 PRO 11 1HD PRO 11 9.530 -3.473 -2.638 58 HD3 PRO 11 2HD PRO 11 10.581 -2.467 -1.621 59 H ARG 12 H ARG 12 8.512 -5.675 2.434 60 HA ARG 12 HA ARG 12 6.537 -7.198 0.940 61 HB2 ARG 12 1HB ARG 12 7.222 -9.343 1.894 62 HB3 ARG 12 2HB ARG 12 8.507 -8.654 0.911 63 HG2 ARG 12 1HG ARG 12 8.514 -8.124 3.837 64 HG3 ARG 12 2HG ARG 12 9.004 -9.717 3.256 65 HD2 ARG 12 1HD ARG 12 10.160 -7.273 1.994 66 HD3 ARG 12 2HD ARG 12 10.770 -7.808 3.559 67 HE ARG 12 HE ARG 12 11.383 -8.941 1.055 68 HH11 ARG 12 2HH1 ARG 12 10.621 -9.860 4.325 69 HH12 ARG 12 1HH1 ARG 12 11.507 -11.347 4.252 70 HH21 ARG 12 2HH2 ARG 12 12.553 -10.896 0.947 71 HH22 ARG 12 1HH2 ARG 12 12.607 -11.935 2.330 72 H ASP 13 H ASP 13 5.369 -8.720 2.666 73 HA ASP 13 HA ASP 13 4.068 -8.866 4.531 74 HB2 ASP 13 1HB ASP 13 6.341 -8.408 5.655 75 HB3 ASP 13 2HB ASP 13 5.763 -6.755 5.849 76 H LEU 14 H LEU 14 3.214 -7.249 2.484 77 HA LEU 14 HA LEU 14 2.263 -4.760 3.664 78 HB2 LEU 14 1HB LEU 14 3.114 -4.721 1.380 79 HB3 LEU 14 2HB LEU 14 1.904 -5.909 0.900 80 HG LEU 14 HG LEU 14 0.164 -4.171 1.567 81 HD11 LEU 14 1HD1 LEU 14 1.962 -2.810 2.800 82 HD12 LEU 14 2HD1 LEU 14 0.770 -1.941 1.834 83 HD13 LEU 14 3HD1 LEU 14 2.395 -2.205 1.201 84 HD21 LEU 14 1HD2 LEU 14 1.274 -4.759 -0.794 85 HD22 LEU 14 2HD2 LEU 14 1.735 -3.060 -0.680 86 HD23 LEU 14 3HD2 LEU 14 0.034 -3.520 -0.598 87 H GLU 15 H GLU 15 0.576 -5.004 4.992 88 HA GLU 15 HA GLU 15 -1.822 -6.295 3.933 89 HB2 GLU 15 1HB GLU 15 -0.606 -7.965 5.343 90 HB3 GLU 15 2HB GLU 15 -0.781 -6.873 6.710 91 HG2 GLU 15 1HG GLU 15 -2.535 -8.315 7.031 92 HG3 GLU 15 2HG GLU 15 -3.311 -6.997 6.156 93 H ALA 16 H ALA 16 -3.679 -5.270 4.465 94 HA ALA 16 HA ALA 16 -3.596 -2.651 5.464 95 HB1 ALA 16 1HB ALA 16 -5.680 -4.537 4.611 96 HB2 ALA 16 2HB ALA 16 -6.209 -3.303 5.755 97 HB3 ALA 16 3HB ALA 16 -5.465 -2.829 4.228 98 H LYS 17 H LYS 17 -3.874 -1.783 7.444 99 HA LYS 17 HA LYS 17 -4.738 -3.507 9.649 100 HB2 LYS 17 1HB LYS 17 -2.074 -2.258 9.314 101 HB3 LYS 17 2HB LYS 17 -2.798 -2.115 10.910 102 HG2 LYS 17 1HG LYS 17 -2.559 -4.309 11.365 103 HG3 LYS 17 2HG LYS 17 -2.869 -4.801 9.698 104 HD2 LYS 17 1HD LYS 17 -0.553 -3.721 9.225 105 HD3 LYS 17 2HD LYS 17 -0.312 -3.896 10.965 106 HE2 LYS 17 1HE LYS 17 -1.328 -6.258 9.491 107 HE3 LYS 17 2HE LYS 17 0.351 -5.798 9.212 108 HZ1 LYS 17 1HZ LYS 17 -0.508 -5.886 11.988 109 HZ2 LYS 17 2HZ LYS 17 0.950 -6.383 11.288 110 HZ3 LYS 17 3HZ LYS 17 -0.414 -7.379 11.197 111 H GLU 18 H GLU 18 -5.129 -2.199 11.671 112 HA GLU 18 HA GLU 18 -6.567 -0.653 12.580 113 HB2 GLU 18 1HB GLU 18 -4.719 1.339 11.280 114 HB3 GLU 18 2HB GLU 18 -5.566 1.484 12.814 115 HG2 GLU 18 1HG GLU 18 -3.435 -0.572 12.317 116 HG3 GLU 18 2HG GLU 18 -3.092 1.041 12.940 117 H VAL 19 H VAL 19 -7.487 -1.538 10.055 118 HA VAL 19 HA VAL 19 -8.222 0.590 8.346 119 HB VAL 19 HB VAL 19 -9.596 -2.075 8.715 120 HG11 VAL 19 1HG1 VAL 19 -11.117 -1.245 7.317 121 HG12 VAL 19 2HG1 VAL 19 -10.163 0.213 7.036 122 HG13 VAL 19 3HG1 VAL 19 -9.860 -1.239 6.081 123 HG21 VAL 19 1HG2 VAL 19 -7.283 -2.420 8.160 124 HG22 VAL 19 2HG2 VAL 19 -8.260 -2.742 6.727 125 HG23 VAL 19 3HG2 VAL 19 -7.371 -1.225 6.865 126 H THR 20 H THR 20 -10.064 1.815 8.211 127 HA THR 20 HA THR 20 -12.202 1.425 10.148 128 HB THR 20 HB THR 20 -11.992 4.061 10.509 129 HG1 THR 20 1HG THR 20 -9.391 3.148 9.869 130 HG21 THR 20 1HG2 THR 20 -12.099 2.902 12.472 131 HG22 THR 20 2HG2 THR 20 -10.393 3.347 12.520 132 HG23 THR 20 3HG2 THR 20 -10.870 1.738 11.978 133 HA PRO 21 HA PRO 21 -14.792 2.953 6.951 134 HB2 PRO 21 1HB PRO 21 -16.688 4.315 8.337 135 HB3 PRO 21 2HB PRO 21 -16.580 2.551 8.337 136 HG2 PRO 21 1HG PRO 21 -15.605 4.509 10.381 137 HG3 PRO 21 2HG PRO 21 -16.444 2.965 10.621 138 HD2 PRO 21 1HD PRO 21 -13.765 3.226 10.910 139 HD3 PRO 21 2HD PRO 21 -14.521 1.729 10.328 140 H ARG 22 H ARG 22 -12.781 4.960 8.621 141 HA ARG 22 HA ARG 22 -13.545 7.271 6.964 142 HB2 ARG 22 1HB ARG 22 -12.610 7.264 9.834 143 HB3 ARG 22 2HB ARG 22 -12.625 8.708 8.831 144 HG2 ARG 22 1HG ARG 22 -15.082 8.331 8.495 145 HG3 ARG 22 2HG ARG 22 -14.979 7.067 9.722 146 HD2 ARG 22 1HD ARG 22 -14.023 9.870 10.228 147 HD3 ARG 22 2HD ARG 22 -15.700 9.392 10.488 148 HE ARG 22 HE ARG 22 -14.281 7.542 11.878 149 HH11 ARG 22 2HH1 ARG 22 -14.343 11.023 11.846 150 HH12 ARG 22 1HH1 ARG 22 -13.904 11.175 13.515 151 HH21 ARG 22 2HH2 ARG 22 -13.703 7.730 14.076 152 HH22 ARG 22 1HH2 ARG 22 -13.539 9.302 14.783 153 H THR 23 H THR 23 -10.967 5.504 8.593 154 HA THR 23 HA THR 23 -9.088 6.512 6.577 155 HB THR 23 HB THR 23 -7.310 6.668 8.330 156 HG1 THR 23 1HG THR 23 -8.772 5.406 9.864 157 HG21 THR 23 1HG2 THR 23 -9.454 8.563 9.160 158 HG22 THR 23 2HG2 THR 23 -8.924 8.581 7.478 159 HG23 THR 23 3HG2 THR 23 -7.763 8.873 8.772 160 H ALA 24 H ALA 24 -6.893 5.236 6.927 161 HA ALA 24 HA ALA 24 -7.165 2.543 7.872 162 HB1 ALA 24 1HB ALA 24 -7.249 1.351 5.892 163 HB2 ALA 24 2HB ALA 24 -8.357 2.685 5.574 164 HB3 ALA 24 3HB ALA 24 -6.720 2.725 4.921 165 H LEU 25 H LEU 25 -5.207 1.611 8.227 166 HA LEU 25 HA LEU 25 -2.849 3.138 7.343 167 HB2 LEU 25 1HB LEU 25 -3.025 3.249 9.704 168 HB3 LEU 25 2HB LEU 25 -3.360 1.523 9.827 169 HG LEU 25 HG LEU 25 -0.929 1.342 8.797 170 HD11 LEU 25 1HD1 LEU 25 -1.180 4.143 9.588 171 HD12 LEU 25 2HD1 LEU 25 0.001 3.358 8.541 172 HD13 LEU 25 3HD1 LEU 25 0.214 3.322 10.291 173 HD21 LEU 25 1HD2 LEU 25 -0.079 1.412 11.208 174 HD22 LEU 25 2HD2 LEU 25 -1.391 0.293 10.837 175 HD23 LEU 25 3HD2 LEU 25 -1.737 1.821 11.648 176 H LEU 26 H LEU 26 -1.319 2.142 6.177 177 HA LEU 26 HA LEU 26 -1.578 -0.768 5.793 178 HB2 LEU 26 1HB LEU 26 -0.937 1.463 3.926 179 HB3 LEU 26 2HB LEU 26 -0.233 -0.125 3.624 180 HG LEU 26 HG LEU 26 -3.193 0.197 3.980 181 HD11 LEU 26 1HD1 LEU 26 -1.811 0.364 1.317 182 HD12 LEU 26 2HD1 LEU 26 -2.295 1.794 2.228 183 HD13 LEU 26 3HD1 LEU 26 -3.513 0.637 1.691 184 HD21 LEU 26 1HD2 LEU 26 -2.019 -1.704 2.067 185 HD22 LEU 26 2HD2 LEU 26 -3.318 -1.925 3.239 186 HD23 LEU 26 3HD2 LEU 26 -1.635 -2.003 3.762 187 H THR 27 H THR 27 -0.080 -1.734 7.010 188 HA THR 27 HA THR 27 2.549 -0.507 7.342 189 HB THR 27 HB THR 27 2.924 -1.972 9.142 190 HG1 THR 27 1HG THR 27 2.334 -3.943 8.275 191 HG21 THR 27 1HG2 THR 27 1.304 -1.299 10.588 192 HG22 THR 27 2HG2 THR 27 -0.007 -1.832 9.536 193 HG23 THR 27 3HG2 THR 27 0.823 -0.310 9.210 194 H TRP 28 H TRP 28 4.431 -1.365 6.587 195 HA TRP 28 HA TRP 28 4.398 -3.961 5.261 196 HB2 TRP 28 1HB TRP 28 5.247 -3.151 3.174 197 HB3 TRP 28 2HB TRP 28 3.805 -2.211 3.549 198 HD1 TRP 28 HD TRP 28 7.618 -1.881 3.334 199 HE1 TRP 28 1HE TRP 28 8.217 0.620 3.218 200 HE3 TRP 28 3HE TRP 28 2.982 0.104 4.170 201 HZ2 TRP 28 2HZ TRP 28 6.899 3.105 3.450 202 HZ3 TRP 28 3HZ TRP 28 2.736 2.552 4.208 203 HH2 TRP 28 HH TRP 28 4.656 4.020 3.856 204 H THR 29 H THR 29 6.731 -4.364 4.338 205 HA THR 29 HA THR 29 8.601 -3.614 6.482 206 HB THR 29 HB THR 29 8.649 -6.007 4.633 207 HG1 THR 29 1HG THR 29 8.185 -7.142 6.548 208 HG21 THR 29 1HG2 THR 29 10.585 -6.761 5.840 209 HG22 THR 29 2HG2 THR 29 10.496 -5.383 6.937 210 HG23 THR 29 3HG2 THR 29 10.910 -5.134 5.241 211 H GLU 30 H GLU 30 10.563 -2.725 6.025 212 HA GLU 30 HA GLU 30 10.961 -1.838 3.261 213 HB2 GLU 30 1HB GLU 30 11.758 -0.794 5.933 214 HB3 GLU 30 2HB GLU 30 12.820 -0.451 4.575 215 HG2 GLU 30 1HG GLU 30 10.903 0.531 3.370 216 HG3 GLU 30 2HG GLU 30 9.906 0.265 4.799 217 HA PRO 31 HA PRO 31 14.285 -4.669 2.660 218 HB2 PRO 31 1HB PRO 31 15.503 -3.416 0.582 219 HB3 PRO 31 2HB PRO 31 13.982 -4.300 0.412 220 HG2 PRO 31 1HG PRO 31 14.440 -1.356 0.700 221 HG3 PRO 31 2HG PRO 31 13.330 -2.215 -0.384 222 HD2 PRO 31 1HD PRO 31 12.507 -1.051 1.918 223 HD3 PRO 31 2HD PRO 31 11.752 -2.520 1.267 224 HA PRO 32 HA PRO 32 17.940 -3.200 4.612 225 HB2 PRO 32 1HB PRO 32 19.915 -4.442 3.224 226 HB3 PRO 32 2HB PRO 32 18.835 -5.297 4.332 227 HG2 PRO 32 1HG PRO 32 18.712 -5.094 1.348 228 HG3 PRO 32 2HG PRO 32 18.461 -6.511 2.384 229 HD2 PRO 32 1HD PRO 32 16.408 -5.101 1.320 230 HD3 PRO 32 2HD PRO 32 16.296 -5.907 2.898 231 H VAL 33 H VAL 33 17.306 -2.418 1.373 232 HA VAL 33 HA VAL 33 19.539 -0.495 1.318 233 HB VAL 33 HB VAL 33 17.989 -1.597 -1.029 234 HG11 VAL 33 1HG1 VAL 33 18.737 0.241 -2.052 235 HG12 VAL 33 2HG1 VAL 33 19.820 0.644 -0.718 236 HG13 VAL 33 3HG1 VAL 33 20.335 -0.497 -1.961 237 HG21 VAL 33 1HG2 VAL 33 19.292 -3.395 -0.548 238 HG22 VAL 33 2HG2 VAL 33 20.479 -2.455 -1.454 239 HG23 VAL 33 3HG2 VAL 33 20.497 -2.434 0.310 240 H ARG 34 H ARG 34 18.279 0.981 2.604 241 HA ARG 34 HA ARG 34 15.794 1.949 2.293 242 HB2 ARG 34 1HB ARG 34 17.788 2.790 3.764 243 HB3 ARG 34 2HB ARG 34 18.013 3.953 2.464 244 HG2 ARG 34 1HG ARG 34 15.565 4.551 2.780 245 HG3 ARG 34 2HG ARG 34 15.650 3.626 4.281 246 HD2 ARG 34 1HD ARG 34 17.191 6.097 3.529 247 HD3 ARG 34 2HD ARG 34 16.047 5.891 4.855 248 HE ARG 34 HE ARG 34 18.135 4.081 5.234 249 HH11 ARG 34 2HH1 ARG 34 17.611 7.523 5.196 250 HH12 ARG 34 1HH1 ARG 34 18.886 7.860 6.319 251 HH21 ARG 34 2HH2 ARG 34 19.816 4.513 6.713 252 HH22 ARG 34 1HH2 ARG 34 20.141 6.148 7.181 253 HA PRO 35 HA PRO 35 15.671 3.153 -2.008 254 HB2 PRO 35 1HB PRO 35 13.050 3.858 -2.002 255 HB3 PRO 35 2HB PRO 35 13.592 2.177 -2.069 256 HG2 PRO 35 1HG PRO 35 12.634 3.766 0.280 257 HG3 PRO 35 2HG PRO 35 12.249 2.095 -0.172 258 HD2 PRO 35 1HD PRO 35 14.069 2.706 1.738 259 HD3 PRO 35 2HD PRO 35 14.219 1.274 0.700 260 H ALA 36 H ALA 36 15.042 5.118 -3.207 261 HA ALA 36 HA ALA 36 15.931 7.468 -1.832 262 HB1 ALA 36 1HB ALA 36 16.339 8.276 -3.877 263 HB2 ALA 36 2HB ALA 36 15.974 6.644 -4.440 264 HB3 ALA 36 3HB ALA 36 14.720 7.885 -4.457 265 H GLY 37 H GLY 37 12.838 6.334 -3.134 266 HA2 GLY 37 1HA GLY 37 11.418 8.061 -1.298 267 HA3 GLY 37 2HA GLY 37 11.222 8.495 -2.990 268 H TYR 38 H TYR 38 8.972 7.915 -1.747 269 HA TYR 38 HA TYR 38 8.271 5.266 -2.805 270 HB2 TYR 38 1HB TYR 38 7.852 6.307 -0.045 271 HB3 TYR 38 2HB TYR 38 6.575 5.324 -0.753 272 HD1 TYR 38 2HD TYR 38 7.549 3.115 -1.974 273 HD2 TYR 38 1HD TYR 38 9.405 5.196 1.239 274 HE1 TYR 38 2HE TYR 38 8.779 1.073 -1.370 275 HE2 TYR 38 1HE TYR 38 10.642 3.161 1.851 276 HH TYR 38 HH TYR 38 10.160 0.528 1.463 277 H LEU 39 H LEU 39 6.253 5.101 -3.731 278 HA LEU 39 HA LEU 39 4.640 7.562 -3.822 279 HB2 LEU 39 1HB LEU 39 5.966 7.228 -5.892 280 HB3 LEU 39 2HB LEU 39 5.141 5.689 -6.130 281 HG LEU 39 HG LEU 39 2.998 7.252 -6.028 282 HD11 LEU 39 1HD1 LEU 39 3.287 9.435 -6.438 283 HD12 LEU 39 2HD1 LEU 39 4.633 9.155 -7.542 284 HD13 LEU 39 3HD1 LEU 39 4.910 9.169 -5.800 285 HD21 LEU 39 1HD2 LEU 39 4.722 6.243 -8.146 286 HD22 LEU 39 2HD2 LEU 39 3.757 7.632 -8.644 287 HD23 LEU 39 3HD2 LEU 39 2.966 6.196 -7.995 288 H LEU 40 H LEU 40 3.092 6.852 -2.394 289 HA LEU 40 HA LEU 40 1.837 4.267 -2.755 290 HB2 LEU 40 1HB LEU 40 2.261 5.202 -0.512 291 HB3 LEU 40 2HB LEU 40 1.142 6.515 -0.870 292 HG LEU 40 HG LEU 40 -0.582 4.600 -1.226 293 HD11 LEU 40 1HD1 LEU 40 1.373 3.217 0.601 294 HD12 LEU 40 2HD1 LEU 40 1.137 2.810 -1.098 295 HD13 LEU 40 3HD1 LEU 40 -0.189 2.611 0.048 296 HD21 LEU 40 1HD2 LEU 40 -0.890 4.541 1.339 297 HD22 LEU 40 2HD2 LEU 40 -1.010 6.089 0.502 298 HD23 LEU 40 3HD2 LEU 40 0.468 5.666 1.368 299 H SER 41 H SER 41 0.388 4.014 -4.316 300 HA SER 41 HA SER 41 -1.445 6.244 -4.910 301 HB2 SER 41 1HB SER 41 -0.265 4.099 -6.657 302 HB3 SER 41 2HB SER 41 -1.754 4.921 -7.121 303 HG SER 41 HG SER 41 -0.175 6.134 -8.002 304 H PHE 42 H PHE 42 -3.488 5.972 -4.334 305 HA PHE 42 HA PHE 42 -4.559 3.235 -4.164 306 HB2 PHE 42 1HB PHE 42 -5.669 3.699 -2.135 307 HB3 PHE 42 2HB PHE 42 -4.051 4.361 -1.921 308 HD1 PHE 42 2HD PHE 42 -3.839 6.904 -2.687 309 HD2 PHE 42 1HD PHE 42 -7.440 4.988 -1.473 310 HE1 PHE 42 2HE PHE 42 -4.810 9.093 -2.122 311 HE2 PHE 42 1HE PHE 42 -8.417 7.174 -0.907 312 HZ PHE 42 HZ PHE 42 -7.102 9.230 -1.230 313 H HIS 43 H HIS 43 -6.232 2.934 -5.464 314 HA HIS 43 HA HIS 43 -7.942 5.242 -6.121 315 HB2 HIS 43 1HB HIS 43 -7.997 4.690 -8.366 316 HB3 HIS 43 2HB HIS 43 -6.341 4.255 -7.952 317 HD1 HIS 43 1HD HIS 43 -6.788 1.494 -6.715 318 HD2 HIS 43 2HD HIS 43 -8.639 2.792 -10.200 319 HE1 HIS 43 1HE HIS 43 -7.418 -0.598 -7.961 320 HE2 HIS 43 2HE HIS 43 -8.460 0.214 -10.105 321 H THR 44 H THR 44 -10.156 4.720 -6.673 322 HA THR 44 HA THR 44 -11.094 2.347 -5.214 323 HB THR 44 HB THR 44 -12.224 4.048 -4.189 324 HG1 THR 44 1HG THR 44 -13.987 3.001 -4.863 325 HG21 THR 44 1HG2 THR 44 -12.996 6.108 -5.345 326 HG22 THR 44 2HG2 THR 44 -12.257 5.510 -6.830 327 HG23 THR 44 3HG2 THR 44 -11.251 5.876 -5.429 328 HA PRO 45 HA PRO 45 -12.488 0.474 -8.947 329 HB2 PRO 45 1HB PRO 45 -14.414 -1.143 -7.924 330 HB3 PRO 45 2HB PRO 45 -12.687 -1.461 -7.725 331 HG2 PRO 45 1HG PRO 45 -14.616 -0.208 -5.809 332 HG3 PRO 45 2HG PRO 45 -13.349 -1.410 -5.496 333 HD2 PRO 45 1HD PRO 45 -13.025 1.223 -4.953 334 HD3 PRO 45 2HD PRO 45 -11.679 0.178 -5.450 335 H GLY 46 H GLY 46 -14.254 2.701 -7.204 336 HA2 GLY 46 1HA GLY 46 -16.305 2.788 -9.315 337 HA3 GLY 46 2HA GLY 46 -16.790 2.869 -7.627 338 H GLY 47 H GLY 47 -13.817 4.367 -8.568 339 HA2 GLY 47 1HA GLY 47 -15.069 6.979 -8.910 340 HA3 GLY 47 2HA GLY 47 -14.060 6.778 -7.485 341 H GLN 48 H GLN 48 -12.523 8.274 -8.115 342 HA GLN 48 HA GLN 48 -11.069 7.722 -10.605 343 HB2 GLN 48 1HB GLN 48 -10.132 9.963 -10.371 344 HB3 GLN 48 2HB GLN 48 -11.889 10.018 -10.312 345 HG2 GLN 48 1HG GLN 48 -11.772 10.149 -7.854 346 HG3 GLN 48 2HG GLN 48 -10.013 10.187 -7.966 347 HE21 GLN 48 1HE2 GLN 48 -9.212 12.137 -7.756 348 HE22 GLN 48 2HE2 GLN 48 -9.944 13.610 -8.285 349 H THR 49 H THR 49 -8.626 8.465 -10.321 350 HA THR 49 HA THR 49 -7.581 6.885 -8.068 351 HB THR 49 HB THR 49 -6.409 7.449 -10.792 352 HG1 THR 49 1HG THR 49 -7.006 5.449 -11.181 353 HG21 THR 49 1HG2 THR 49 -4.558 5.883 -9.907 354 HG22 THR 49 2HG2 THR 49 -5.122 6.365 -8.307 355 HG23 THR 49 3HG2 THR 49 -4.515 7.580 -9.431 356 H GLN 50 H GLN 50 -5.937 7.676 -6.786 357 HA GLN 50 HA GLN 50 -5.065 10.438 -7.271 358 HB2 GLN 50 1HB GLN 50 -6.903 10.443 -5.613 359 HB3 GLN 50 2HB GLN 50 -5.966 9.355 -4.597 360 HG2 GLN 50 1HG GLN 50 -4.413 10.989 -4.056 361 HG3 GLN 50 2HG GLN 50 -4.844 11.993 -5.439 362 HE21 GLN 50 1HE2 GLN 50 -6.527 10.539 -2.668 363 HE22 GLN 50 2HE2 GLN 50 -7.363 11.978 -2.206 364 H GLU 51 H GLU 51 -3.006 10.958 -6.537 365 HA GLU 51 HA GLU 51 -1.380 8.651 -5.693 366 HB2 GLU 51 1HB GLU 51 -0.764 10.983 -7.484 367 HB3 GLU 51 2HB GLU 51 0.527 10.092 -6.691 368 HG2 GLU 51 1HG GLU 51 0.130 8.171 -7.902 369 HG3 GLU 51 2HG GLU 51 -1.532 8.626 -8.276 370 H ILE 52 H ILE 52 0.445 9.102 -4.295 371 HA ILE 52 HA ILE 52 0.370 11.621 -2.828 372 HB ILE 52 HB ILE 52 0.136 8.972 -1.397 373 HG12 ILE 52 1HG1 ILE 52 -1.920 11.177 -1.635 374 HG13 ILE 52 2HG1 ILE 52 -1.956 9.685 -2.568 375 HG21 ILE 52 1HG2 ILE 52 -0.034 11.759 -0.270 376 HG22 ILE 52 2HG2 ILE 52 0.026 10.237 0.619 377 HG23 ILE 52 3HG2 ILE 52 1.441 10.792 -0.275 378 HD11 ILE 52 1HD1 ILE 52 -3.468 9.585 -0.672 379 HD12 ILE 52 2HD1 ILE 52 -2.170 8.402 -0.508 380 HD13 ILE 52 3HD1 ILE 52 -2.125 9.895 0.428 381 H LEU 53 H LEU 53 2.344 12.271 -2.201 382 HA LEU 53 HA LEU 53 4.609 10.590 -2.871 383 HB2 LEU 53 1HB LEU 53 4.196 13.460 -2.212 384 HB3 LEU 53 2HB LEU 53 5.796 12.768 -1.953 385 HG LEU 53 HG LEU 53 5.537 13.940 -4.127 386 HD11 LEU 53 1HD1 LEU 53 6.799 11.543 -3.561 387 HD12 LEU 53 2HD1 LEU 53 7.107 12.593 -4.944 388 HD13 LEU 53 3HD1 LEU 53 5.978 11.246 -5.093 389 HD21 LEU 53 1HD2 LEU 53 4.301 12.500 -5.882 390 HD22 LEU 53 2HD2 LEU 53 3.361 13.565 -4.836 391 HD23 LEU 53 3HD2 LEU 53 3.439 11.837 -4.493 392 H LEU 54 H LEU 54 5.949 9.605 -1.469 393 HA LEU 54 HA LEU 54 5.274 9.789 1.380 394 HB2 LEU 54 1HB LEU 54 6.423 7.677 -0.365 395 HB3 LEU 54 2HB LEU 54 6.909 7.702 1.329 396 HG LEU 54 HG LEU 54 4.914 6.216 0.553 397 HD11 LEU 54 1HD1 LEU 54 4.364 7.917 2.952 398 HD12 LEU 54 2HD1 LEU 54 5.761 6.842 2.913 399 HD13 LEU 54 3HD1 LEU 54 4.136 6.182 2.734 400 HD21 LEU 54 1HD2 LEU 54 3.816 8.239 -0.543 401 HD22 LEU 54 2HD2 LEU 54 3.406 8.758 1.093 402 HD23 LEU 54 3HD2 LEU 54 2.796 7.222 0.475 403 HA PRO 55 HA PRO 55 9.030 11.823 2.406 404 HB2 PRO 55 1HB PRO 55 9.450 10.852 4.906 405 HB3 PRO 55 2HB PRO 55 8.185 12.028 4.532 406 HG2 PRO 55 1HG PRO 55 7.973 9.062 4.875 407 HG3 PRO 55 2HG PRO 55 6.900 10.338 5.480 408 HD2 PRO 55 1HD PRO 55 6.323 8.873 3.278 409 HD3 PRO 55 2HD PRO 55 5.823 10.567 3.456 410 H GLY 56 H GLY 56 8.842 8.334 2.600 411 HA2 GLY 56 1HA GLY 56 10.422 6.778 1.921 412 HA3 GLY 56 2HA GLY 56 11.546 8.097 1.624 413 H GLY 57 H GLY 57 10.539 5.649 3.809 414 HA2 GLY 57 1HA GLY 57 12.483 4.936 5.252 415 HA3 GLY 57 2HA GLY 57 12.501 6.607 5.797 416 H ILE 58 H ILE 58 9.693 4.536 5.207 417 HA ILE 58 HA ILE 58 9.195 4.388 8.087 418 HB ILE 58 HB ILE 58 7.061 5.305 8.034 419 HG12 ILE 58 1HG1 ILE 58 7.166 5.086 5.018 420 HG13 ILE 58 2HG1 ILE 58 6.193 4.103 6.108 421 HG21 ILE 58 1HG2 ILE 58 9.040 6.906 7.519 422 HG22 ILE 58 2HG2 ILE 58 8.271 7.061 5.941 423 HG23 ILE 58 3HG2 ILE 58 7.385 7.504 7.400 424 HD11 ILE 58 1HD1 ILE 58 5.499 6.743 6.675 425 HD12 ILE 58 2HD1 ILE 58 5.599 6.642 4.917 426 HD13 ILE 58 3HD1 ILE 58 4.545 5.542 5.805 427 H THR 59 H THR 59 7.310 2.924 8.567 428 HA THR 59 HA THR 59 7.153 0.761 6.570 429 HB THR 59 HB THR 59 6.886 -0.793 8.558 430 HG1 THR 59 1HG THR 59 8.196 1.227 10.041 431 HG21 THR 59 1HG2 THR 59 9.316 0.486 7.551 432 HG22 THR 59 2HG2 THR 59 8.946 -1.224 7.773 433 HG23 THR 59 3HG2 THR 59 9.514 -0.260 9.136 434 H SER 60 H SER 60 5.433 3.105 8.074 435 HA SER 60 HA SER 60 2.916 1.810 7.464 436 HB2 SER 60 1HB SER 60 2.037 2.600 9.788 437 HB3 SER 60 2HB SER 60 2.918 1.077 9.680 438 HG SER 60 HG SER 60 3.904 3.593 10.539 439 H HIS 61 H HIS 61 1.626 3.233 6.505 440 HA HIS 61 HA HIS 61 2.019 6.096 7.083 441 HB2 HIS 61 1HB HIS 61 2.741 5.083 4.754 442 HB3 HIS 61 2HB HIS 61 1.017 5.196 4.413 443 HD1 HIS 61 1HD HIS 61 0.593 7.237 3.102 444 HD2 HIS 61 2HD HIS 61 3.507 7.854 5.998 445 HE1 HIS 61 1HE HIS 61 1.230 9.663 2.910 446 HE2 HIS 61 2HE HIS 61 3.055 9.991 4.614 447 H GLN 62 H GLN 62 0.244 7.276 7.530 448 HA GLN 62 HA GLN 62 -2.277 5.853 7.782 449 HB2 GLN 62 1HB GLN 62 -1.416 7.259 9.637 450 HB3 GLN 62 2HB GLN 62 -1.569 8.674 8.605 451 HG2 GLN 62 1HG GLN 62 -3.442 8.564 10.099 452 HG3 GLN 62 2HG GLN 62 -3.990 8.270 8.450 453 HE21 GLN 62 1HE2 GLN 62 -5.308 6.626 8.178 454 HE22 GLN 62 2HE2 GLN 62 -5.471 5.264 9.229 455 H LEU 63 H LEU 63 -3.819 5.939 6.299 456 HA LEU 63 HA LEU 63 -3.650 7.918 4.167 457 HB2 LEU 63 1HB LEU 63 -5.273 5.415 4.539 458 HB3 LEU 63 2HB LEU 63 -5.545 6.530 3.202 459 HG LEU 63 HG LEU 63 -2.881 5.222 3.692 460 HD11 LEU 63 1HD1 LEU 63 -5.303 3.964 2.865 461 HD12 LEU 63 2HD1 LEU 63 -3.687 3.274 3.013 462 HD13 LEU 63 3HD1 LEU 63 -4.189 4.027 1.499 463 HD21 LEU 63 1HD2 LEU 63 -4.110 6.904 1.578 464 HD22 LEU 63 2HD2 LEU 63 -2.993 5.635 1.074 465 HD23 LEU 63 3HD2 LEU 63 -2.459 6.887 2.198 466 H LEU 64 H LEU 64 -5.168 9.459 3.747 467 HA LEU 64 HA LEU 64 -7.385 9.696 5.674 468 HB2 LEU 64 1HB LEU 64 -6.065 12.057 4.385 469 HB3 LEU 64 2HB LEU 64 -7.093 12.012 5.815 470 HG LEU 64 HG LEU 64 -4.308 10.863 5.710 471 HD11 LEU 64 1HD1 LEU 64 -3.966 13.156 5.408 472 HD12 LEU 64 2HD1 LEU 64 -3.807 12.913 7.148 473 HD13 LEU 64 3HD1 LEU 64 -5.295 13.588 6.484 474 HD21 LEU 64 1HD2 LEU 64 -6.407 11.159 7.800 475 HD22 LEU 64 2HD2 LEU 64 -4.714 11.301 8.271 476 HD23 LEU 64 3HD2 LEU 64 -5.294 9.825 7.498 477 H GLY 65 H GLY 65 -9.354 10.497 4.906 478 HA2 GLY 65 1HA GLY 65 -10.943 11.116 3.337 479 HA3 GLY 65 2HA GLY 65 -9.657 11.286 2.151 480 H LEU 66 H LEU 66 -11.543 8.842 3.903 481 HA LEU 66 HA LEU 66 -11.414 7.163 1.487 482 HB2 LEU 66 1HB LEU 66 -11.514 6.127 4.312 483 HB3 LEU 66 2HB LEU 66 -11.321 5.186 2.835 484 HG LEU 66 HG LEU 66 -9.293 7.121 3.953 485 HD11 LEU 66 1HD1 LEU 66 -9.823 4.819 5.109 486 HD12 LEU 66 2HD1 LEU 66 -8.162 5.364 4.880 487 HD13 LEU 66 3HD1 LEU 66 -8.862 4.183 3.774 488 HD21 LEU 66 1HD2 LEU 66 -9.266 5.291 1.562 489 HD22 LEU 66 2HD2 LEU 66 -7.813 6.006 2.260 490 HD23 LEU 66 3HD2 LEU 66 -9.071 7.043 1.586 491 H PHE 67 H PHE 67 -13.201 5.429 1.569 492 HA PHE 67 HA PHE 67 -15.692 6.745 2.425 493 HB2 PHE 67 1HB PHE 67 -15.164 4.858 0.123 494 HB3 PHE 67 2HB PHE 67 -16.773 5.372 0.618 495 HD1 PHE 67 2HD PHE 67 -16.314 8.216 1.218 496 HD2 PHE 67 1HD PHE 67 -14.871 5.798 -1.974 497 HE1 PHE 67 2HE PHE 67 -16.110 10.216 -0.201 498 HE2 PHE 67 1HE PHE 67 -14.665 7.794 -3.398 499 HZ PHE 67 HZ PHE 67 -15.286 10.006 -2.512 500 HA PRO 68 HA PRO 68 -16.538 3.395 5.142 501 HB2 PRO 68 1HB PRO 68 -19.249 3.518 5.195 502 HB3 PRO 68 2HB PRO 68 -18.218 4.704 6.003 503 HG2 PRO 68 1HG PRO 68 -19.606 4.891 3.357 504 HG3 PRO 68 2HG PRO 68 -19.461 6.114 4.633 505 HD2 PRO 68 1HD PRO 68 -17.908 6.131 2.416 506 HD3 PRO 68 2HD PRO 68 -17.331 6.714 3.990 507 H SER 69 H SER 69 -16.307 1.323 4.604 508 HA SER 69 HA SER 69 -16.660 -0.729 3.684 509 HB2 SER 69 1HB SER 69 -19.008 -0.320 4.432 510 HB3 SER 69 2HB SER 69 -19.355 0.366 2.844 511 HG SER 69 HG SER 69 -19.441 -1.575 2.032 512 H THR 70 H THR 70 -15.294 1.217 2.175 513 HA THR 70 HA THR 70 -16.088 0.504 -0.574 514 HB THR 70 HB THR 70 -14.584 2.955 0.362 515 HG1 THR 70 1HG THR 70 -16.610 3.829 -0.801 516 HG21 THR 70 1HG2 THR 70 -15.549 2.976 -2.372 517 HG22 THR 70 2HG2 THR 70 -14.394 1.672 -2.095 518 HG23 THR 70 3HG2 THR 70 -13.943 3.340 -1.743 519 H SER 71 H SER 71 -14.782 -0.911 -1.510 520 HA SER 71 HA SER 71 -12.306 -1.714 -0.401 521 HB2 SER 71 1HB SER 71 -13.604 -3.288 -1.696 522 HB3 SER 71 2HB SER 71 -13.534 -2.245 -3.116 523 HG SER 71 HG SER 71 -11.780 -3.280 -3.593 524 H TYR 72 H TYR 72 -10.241 -1.171 -0.870 525 HA TYR 72 HA TYR 72 -9.785 0.780 -3.024 526 HB2 TYR 72 1HB TYR 72 -8.928 0.936 -0.148 527 HB3 TYR 72 2HB TYR 72 -8.008 1.755 -1.405 528 HD1 TYR 72 2HD TYR 72 -9.194 3.475 -2.838 529 HD2 TYR 72 1HD TYR 72 -10.900 1.882 0.720 530 HE1 TYR 72 2HE TYR 72 -10.745 5.381 -2.735 531 HE2 TYR 72 1HE TYR 72 -12.456 3.784 0.832 532 HH TYR 72 HH TYR 72 -12.462 6.212 -0.044 533 H ASN 73 H ASN 73 -7.699 0.758 -3.958 534 HA ASN 73 HA ASN 73 -6.169 -1.701 -3.409 535 HB2 ASN 73 1HB ASN 73 -7.456 -1.386 -5.671 536 HB3 ASN 73 2HB ASN 73 -6.099 -0.339 -6.078 537 HD21 ASN 73 1HD2 ASN 73 -5.554 -1.800 -7.745 538 HD22 ASN 73 2HD2 ASN 73 -4.724 -3.275 -7.396 539 H ALA 74 H ALA 74 -4.441 -1.096 -2.258 540 HA ALA 74 HA ALA 74 -3.104 1.429 -2.817 541 HB1 ALA 74 1HB ALA 74 -1.673 0.024 -0.856 542 HB2 ALA 74 2HB ALA 74 -2.785 1.374 -0.621 543 HB3 ALA 74 3HB ALA 74 -3.380 -0.284 -0.533 544 H ARG 75 H ARG 75 -0.916 1.606 -3.384 545 HA ARG 75 HA ARG 75 0.487 -0.826 -4.188 546 HB2 ARG 75 1HB ARG 75 -0.828 0.011 -6.158 547 HB3 ARG 75 2HB ARG 75 0.118 1.492 -6.090 548 HG2 ARG 75 1HG ARG 75 2.137 -0.199 -6.210 549 HG3 ARG 75 2HG ARG 75 0.915 -1.235 -6.950 550 HD2 ARG 75 1HD ARG 75 1.573 1.566 -7.852 551 HD3 ARG 75 2HD ARG 75 2.211 0.098 -8.591 552 HE ARG 75 HE ARG 75 -0.660 0.185 -8.472 553 HH11 ARG 75 2HH1 ARG 75 2.163 1.084 -10.301 554 HH12 ARG 75 1HH1 ARG 75 1.315 1.180 -11.809 555 HH21 ARG 75 2HH2 ARG 75 -1.787 0.307 -10.452 556 HH22 ARG 75 1HH2 ARG 75 -0.931 0.739 -11.894 557 H LEU 76 H LEU 76 2.387 -0.699 -3.206 558 HA LEU 76 HA LEU 76 3.594 1.928 -2.734 559 HB2 LEU 76 1HB LEU 76 3.301 0.394 -0.826 560 HB3 LEU 76 2HB LEU 76 4.349 -0.774 -1.628 561 HG LEU 76 HG LEU 76 6.076 1.206 -1.557 562 HD11 LEU 76 1HD1 LEU 76 4.868 1.890 1.028 563 HD12 LEU 76 2HD1 LEU 76 4.008 2.504 -0.383 564 HD13 LEU 76 3HD1 LEU 76 5.708 2.908 -0.142 565 HD21 LEU 76 1HD2 LEU 76 6.655 -0.772 -0.484 566 HD22 LEU 76 2HD2 LEU 76 5.290 -0.685 0.629 567 HD23 LEU 76 3HD2 LEU 76 6.660 0.409 0.826 568 H GLN 77 H GLN 77 5.106 2.628 -4.075 569 HA GLN 77 HA GLN 77 6.915 0.673 -5.318 570 HB2 GLN 77 1HB GLN 77 4.998 1.751 -6.793 571 HB3 GLN 77 2HB GLN 77 6.123 3.101 -6.860 572 HG2 GLN 77 1HG GLN 77 7.833 1.221 -7.519 573 HG3 GLN 77 2HG GLN 77 6.367 0.368 -7.998 574 HE21 GLN 77 1HE2 GLN 77 7.293 0.487 -10.144 575 HE22 GLN 77 2HE2 GLN 77 7.067 1.917 -11.086 576 H ALA 78 H ALA 78 8.940 1.088 -4.766 577 HA ALA 78 HA ALA 78 9.661 3.773 -3.859 578 HB1 ALA 78 1HB ALA 78 11.868 2.107 -3.528 579 HB2 ALA 78 2HB ALA 78 10.718 2.609 -2.289 580 HB3 ALA 78 3HB ALA 78 10.472 1.095 -3.159 581 H MET 79 H MET 79 11.467 4.891 -4.666 582 HA MET 79 HA MET 79 12.075 4.261 -7.452 583 HB2 MET 79 1HB MET 79 12.871 6.737 -5.922 584 HB3 MET 79 2HB MET 79 12.814 6.523 -7.666 585 HG2 MET 79 1HG MET 79 10.341 6.221 -7.462 586 HG3 MET 79 2HG MET 79 10.491 6.679 -5.767 587 HE1 MET 79 1HE MET 79 10.507 10.371 -5.738 588 HE2 MET 79 2HE MET 79 9.704 8.912 -5.158 589 HE3 MET 79 3HE MET 79 11.451 9.086 -4.984 590 H TRP 80 H TRP 80 13.825 3.098 -7.869 591 HA TRP 80 HA TRP 80 16.165 3.394 -6.101 592 HB2 TRP 80 1HB TRP 80 14.967 1.019 -7.458 593 HB3 TRP 80 2HB TRP 80 16.713 1.060 -7.228 594 HD1 TRP 80 HD TRP 80 17.595 1.129 -4.648 595 HE1 TRP 80 1HE TRP 80 16.510 0.232 -2.492 596 HE3 TRP 80 3HE TRP 80 12.784 0.635 -6.305 597 HZ2 TRP 80 2HZ TRP 80 13.954 -0.578 -1.612 598 HZ3 TRP 80 3HZ TRP 80 11.079 -0.208 -4.743 599 HH2 TRP 80 HH TRP 80 11.654 -0.802 -2.446 600 H GLY 81 H GLY 81 17.401 4.881 -7.127 601 HA2 GLY 81 1HA GLY 81 18.680 5.865 -8.765 602 HA3 GLY 81 2HA GLY 81 19.034 4.211 -9.241 603 H GLN 82 H GLN 82 18.403 3.568 -11.199 604 HA GLN 82 HA GLN 82 16.656 5.366 -12.721 605 HB2 GLN 82 1HB GLN 82 17.571 3.838 -14.653 606 HB3 GLN 82 2HB GLN 82 18.562 5.131 -13.990 607 HG2 GLN 82 1HG GLN 82 19.784 3.565 -12.633 608 HG3 GLN 82 2HG GLN 82 18.724 2.250 -13.139 609 HE21 GLN 82 1HE2 GLN 82 21.343 1.883 -13.455 610 HE22 GLN 82 2HE2 GLN 82 21.796 1.992 -15.119 611 H SER 83 H SER 83 16.986 2.065 -11.616 612 HA SER 83 HA SER 83 14.737 1.108 -13.149 613 HB2 SER 83 1HB SER 83 16.450 -0.135 -10.994 614 HB3 SER 83 2HB SER 83 15.065 -0.965 -11.704 615 HG SER 83 HG SER 83 16.214 -1.369 -13.413 616 H LEU 84 H LEU 84 12.898 0.011 -12.026 617 HA LEU 84 HA LEU 84 12.148 1.342 -9.519 618 HB2 LEU 84 1HB LEU 84 10.441 1.110 -11.991 619 HB3 LEU 84 2HB LEU 84 9.845 1.615 -10.412 620 HG LEU 84 HG LEU 84 12.087 3.138 -11.657 621 HD11 LEU 84 1HD1 LEU 84 10.087 2.696 -13.292 622 HD12 LEU 84 2HD1 LEU 84 10.785 4.308 -13.134 623 HD13 LEU 84 3HD1 LEU 84 9.283 3.911 -12.298 624 HD21 LEU 84 1HD2 LEU 84 9.847 4.511 -10.376 625 HD22 LEU 84 2HD2 LEU 84 11.582 4.668 -10.104 626 HD23 LEU 84 3HD2 LEU 84 10.681 3.367 -9.324 627 H LEU 85 H LEU 85 12.564 -0.612 -8.437 628 HA LEU 85 HA LEU 85 11.880 -3.157 -8.990 629 HB2 LEU 85 1HB LEU 85 11.370 -1.851 -6.323 630 HB3 LEU 85 2HB LEU 85 11.635 -3.568 -6.618 631 HG LEU 85 HG LEU 85 13.641 -1.330 -6.798 632 HD11 LEU 85 1HD1 LEU 85 13.343 -3.772 -5.068 633 HD12 LEU 85 2HD1 LEU 85 13.371 -2.080 -4.571 634 HD13 LEU 85 3HD1 LEU 85 14.839 -2.844 -5.181 635 HD21 LEU 85 1HD2 LEU 85 13.575 -3.905 -8.175 636 HD22 LEU 85 2HD2 LEU 85 15.032 -3.651 -7.214 637 HD23 LEU 85 3HD2 LEU 85 14.585 -2.488 -8.463 638 HA PRO 86 HA PRO 86 7.527 -3.540 -9.429 639 HB2 PRO 86 1HB PRO 86 7.144 -6.066 -8.511 640 HB3 PRO 86 2HB PRO 86 7.910 -5.715 -10.065 641 HG2 PRO 86 1HG PRO 86 9.178 -6.396 -7.440 642 HG3 PRO 86 2HG PRO 86 9.585 -6.980 -9.064 643 HD2 PRO 86 1HD PRO 86 10.991 -5.027 -7.822 644 HD3 PRO 86 2HD PRO 86 10.780 -5.078 -9.584 645 HA PRO 87 HA PRO 87 6.148 -2.313 -5.339 646 HB2 PRO 87 1HB PRO 87 3.713 -1.430 -6.154 647 HB3 PRO 87 2HB PRO 87 5.195 -0.488 -6.360 648 HG2 PRO 87 1HG PRO 87 3.743 -2.193 -8.347 649 HG3 PRO 87 2HG PRO 87 4.470 -0.590 -8.567 650 HD2 PRO 87 1HD PRO 87 5.692 -2.868 -9.374 651 HD3 PRO 87 2HD PRO 87 6.596 -1.449 -8.807 652 H VAL 88 H VAL 88 4.283 -2.844 -3.962 653 HA VAL 88 HA VAL 88 3.220 -5.511 -4.615 654 HB VAL 88 HB VAL 88 2.799 -5.629 -2.099 655 HG11 VAL 88 1HG1 VAL 88 4.688 -6.830 -1.939 656 HG12 VAL 88 2HG1 VAL 88 4.915 -6.395 -3.635 657 HG13 VAL 88 3HG1 VAL 88 5.711 -5.459 -2.369 658 HG21 VAL 88 1HG2 VAL 88 3.389 -3.012 -2.080 659 HG22 VAL 88 2HG2 VAL 88 3.598 -4.059 -0.676 660 HG23 VAL 88 3HG2 VAL 88 4.979 -3.675 -1.703 661 H SER 89 H SER 89 1.090 -5.806 -4.811 662 HA SER 89 HA SER 89 -0.666 -3.523 -4.241 663 HB2 SER 89 1HB SER 89 -2.157 -4.366 -5.890 664 HB3 SER 89 2HB SER 89 -0.542 -4.538 -6.578 665 HG SER 89 HG SER 89 -1.385 -6.492 -6.905 666 H THR 90 H THR 90 -2.260 -3.642 -2.775 667 HA THR 90 HA THR 90 -3.079 -6.250 -1.737 668 HB THR 90 HB THR 90 -1.216 -5.280 -0.291 669 HG1 THR 90 1HG THR 90 -3.729 -5.678 0.996 670 HG21 THR 90 1HG2 THR 90 -3.411 -3.427 0.633 671 HG22 THR 90 2HG2 THR 90 -2.085 -2.931 -0.419 672 HG23 THR 90 3HG2 THR 90 -1.749 -3.497 1.217 673 H SER 91 H SER 91 -5.217 -6.363 -1.520 674 HA SER 91 HA SER 91 -6.771 -3.896 -1.731 675 HB2 SER 91 1HB SER 91 -7.693 -6.773 -1.921 676 HB3 SER 91 2HB SER 91 -8.660 -5.344 -2.283 677 HG SER 91 HG SER 91 -6.877 -4.894 -3.861 678 H PHE 92 H PHE 92 -8.012 -3.110 -0.133 679 HA PHE 92 HA PHE 92 -8.567 -4.786 2.203 680 HB2 PHE 92 1HB PHE 92 -7.796 -3.139 3.763 681 HB3 PHE 92 2HB PHE 92 -6.490 -3.428 2.618 682 HD1 PHE 92 1HD PHE 92 -6.439 -1.800 0.560 683 HD2 PHE 92 2HD PHE 92 -8.378 -0.972 4.258 684 HE1 PHE 92 1HE PHE 92 -6.329 0.609 0.075 685 HE2 PHE 92 2HE PHE 92 -8.271 1.438 3.778 686 HZ PHE 92 HZ PHE 92 -7.246 2.232 1.684 687 H THR 93 H THR 93 -10.482 -4.355 3.221 688 HA THR 93 HA THR 93 -12.191 -2.340 1.924 689 HB THR 93 HB THR 93 -13.176 -4.659 3.579 690 HG1 THR 93 1HG THR 93 -11.855 -5.127 1.535 691 HG21 THR 93 1HG2 THR 93 -15.187 -3.793 3.169 692 HG22 THR 93 2HG2 THR 93 -14.884 -3.864 1.432 693 HG23 THR 93 3HG2 THR 93 -14.420 -2.433 2.351 694 H THR 94 H THR 94 -13.107 -0.745 3.086 695 HA THR 94 HA THR 94 -12.234 -0.381 5.817 696 HB THR 94 HB THR 94 -13.234 1.820 5.684 697 HG1 THR 94 1HG THR 94 -14.720 2.320 4.223 698 HG21 THR 94 1HG2 THR 94 -12.210 2.039 3.031 699 HG22 THR 94 2HG2 THR 94 -11.242 0.857 3.913 700 HG23 THR 94 3HG2 THR 94 -11.439 2.490 4.551 701 H GLY 95 H GLY 95 -13.738 0.220 7.545 702 HA2 GLY 95 1HA GLY 95 -15.869 -1.679 7.747 703 HA3 GLY 95 2HA GLY 95 -15.431 -0.474 8.949 704 H GLY 96 H GLY 96 -17.448 0.287 9.421 705 HA2 GLY 96 1HA GLY 96 -18.669 1.961 7.364 706 HA3 GLY 96 2HA GLY 96 -19.672 0.687 8.042 707 H LEU 97 H LEU 97 -19.445 3.810 8.166 708 HA LEU 97 HA LEU 97 -18.936 4.867 10.565 709 HB2 LEU 97 1HB LEU 97 -21.489 5.241 9.007 710 HB3 LEU 97 2HB LEU 97 -20.955 6.293 10.316 711 HG LEU 97 HG LEU 97 -19.359 5.866 7.798 712 HD11 LEU 97 1HD1 LEU 97 -20.795 7.131 6.684 713 HD12 LEU 97 2HD1 LEU 97 -20.517 8.434 7.838 714 HD13 LEU 97 3HD1 LEU 97 -21.819 7.277 8.113 715 HD21 LEU 97 1HD2 LEU 97 -18.159 7.807 8.480 716 HD22 LEU 97 2HD2 LEU 97 -18.220 6.713 9.863 717 HD23 LEU 97 3HD2 LEU 97 -19.288 8.115 9.799 718 H ARG 98 H ARG 98 -19.040 3.517 12.325 719 HA ARG 98 HA ARG 98 -21.641 3.246 13.549 720 HB2 ARG 98 1HB ARG 98 -21.048 1.157 12.033 721 HB3 ARG 98 2HB ARG 98 -20.079 0.706 13.429 722 HG2 ARG 98 1HG ARG 98 -21.919 0.417 14.785 723 HG3 ARG 98 2HG ARG 98 -22.937 1.472 13.802 724 HD2 ARG 98 1HD ARG 98 -23.770 -0.579 13.211 725 HD3 ARG 98 2HD ARG 98 -22.528 -0.369 11.976 726 HE ARG 98 HE ARG 98 -21.392 -2.136 12.878 727 HH11 ARG 98 2HH1 ARG 98 -23.727 -0.991 15.193 728 HH12 ARG 98 1HH1 ARG 98 -23.462 -2.297 16.301 729 HH21 ARG 98 2HH2 ARG 98 -21.035 -3.860 14.328 730 HH22 ARG 98 1HH2 ARG 98 -21.931 -3.928 15.809 731 H ILE 99 H ILE 99 -21.508 2.591 15.801 732 HA ILE 99 HA ILE 99 -19.150 3.663 17.058 733 HB ILE 99 HB ILE 99 -21.534 2.373 18.387 734 HG12 ILE 99 1HG1 ILE 99 -21.286 5.321 18.291 735 HG13 ILE 99 2HG1 ILE 99 -21.703 4.538 16.770 736 HG21 ILE 99 1HG2 ILE 99 -20.734 4.131 20.171 737 HG22 ILE 99 2HG2 ILE 99 -19.983 2.540 20.061 738 HG23 ILE 99 3HG2 ILE 99 -19.191 3.941 19.340 739 HD11 ILE 99 1HD1 ILE 99 -23.205 4.334 19.368 740 HD12 ILE 99 2HD1 ILE 99 -23.704 5.202 17.916 741 HD13 ILE 99 3HD1 ILE 99 -23.600 3.442 17.899 742 H SER 100 H SER 100 -20.872 0.546 17.302 743 HA SER 100 HA SER 100 -20.164 -1.545 17.853 744 HB2 SER 100 1HB SER 100 -18.742 -1.074 15.799 745 HB3 SER 100 2HB SER 100 -17.430 -0.673 16.907 746 HG SER 100 HG SER 100 -18.029 -3.036 16.033 747 H GLY 101 H GLY 101 -20.258 0.193 19.977 748 HA2 GLY 101 1HA GLY 101 -17.846 -0.508 21.533 749 HA3 GLY 101 2HA GLY 101 -18.827 0.919 21.832 750 HA PRO 102 HA PRO 102 -21.282 -2.980 23.385 751 HB2 PRO 102 1HB PRO 102 -19.754 -5.176 23.847 752 HB3 PRO 102 2HB PRO 102 -20.564 -4.877 22.305 753 HG2 PRO 102 1HG PRO 102 -17.712 -4.392 23.071 754 HG3 PRO 102 2HG PRO 102 -18.366 -5.082 21.575 755 HD2 PRO 102 1HD PRO 102 -17.551 -2.506 21.757 756 HD3 PRO 102 2HD PRO 102 -18.884 -3.013 20.699 757 H SER 103 H SER 103 -20.749 -4.589 25.462 758 HA SER 103 HA SER 103 -20.300 -2.838 27.595 759 HB2 SER 103 1HB SER 103 -20.269 -4.864 29.010 760 HB3 SER 103 2HB SER 103 -21.591 -4.903 27.844 761 HG SER 103 HG SER 103 -20.304 -6.881 28.057 762 H SER 104 H SER 104 -18.282 -5.703 26.993 763 HA SER 104 HA SER 104 -16.005 -4.317 28.158 764 HB2 SER 104 1HB SER 104 -16.675 -7.157 27.531 765 HB3 SER 104 2HB SER 104 -14.971 -6.706 27.606 766 HG SER 104 HG SER 104 -15.132 -6.379 29.702 767 H GLY 105 H GLY 105 -13.828 -5.218 26.970 768 HA2 GLY 105 1HA GLY 105 -13.963 -5.142 24.101 769 HA3 GLY 105 2HA GLY 105 -13.383 -3.633 24.790 Start of MODEL 11 1 H1 GLY 1 H GLY 1 21.841 -6.643 -17.867 2 HA2 GLY 1 1HA GLY 1 21.264 -4.416 -18.063 3 HA3 GLY 1 2HA GLY 1 19.633 -5.059 -17.945 4 H SER 2 H SER 2 18.542 -3.734 -16.645 5 HA SER 2 HA SER 2 19.800 -2.960 -14.094 6 HB2 SER 2 1HB SER 2 18.227 -1.002 -14.135 7 HB3 SER 2 2HB SER 2 19.421 -0.992 -15.433 8 HG SER 2 HG SER 2 16.704 -1.130 -15.572 9 H SER 3 H SER 3 17.550 -4.961 -15.417 10 HA SER 3 HA SER 3 15.906 -4.933 -12.970 11 HB2 SER 3 1HB SER 3 14.031 -5.776 -14.296 12 HB3 SER 3 2HB SER 3 14.618 -4.255 -14.969 13 HG SER 3 HG SER 3 14.368 -5.657 -16.662 14 H GLY 4 H GLY 4 15.664 -6.811 -11.873 15 HA2 GLY 4 1HA GLY 4 15.530 -9.343 -12.319 16 HA3 GLY 4 2HA GLY 4 17.171 -9.121 -12.907 17 H SER 5 H SER 5 18.626 -9.786 -11.492 18 HA SER 5 HA SER 5 18.050 -9.446 -8.622 19 HB2 SER 5 1HB SER 5 18.217 -11.792 -9.206 20 HB3 SER 5 2HB SER 5 19.754 -11.517 -10.026 21 HG SER 5 HG SER 5 19.178 -11.601 -7.290 22 H SER 6 H SER 6 18.920 -7.360 -8.491 23 HA SER 6 HA SER 6 21.852 -7.242 -8.780 24 HB2 SER 6 1HB SER 6 19.743 -5.226 -9.476 25 HB3 SER 6 2HB SER 6 21.352 -4.678 -9.008 26 HG SER 6 HG SER 6 22.095 -5.319 -10.867 27 H GLY 7 H GLY 7 20.367 -8.081 -6.453 28 HA2 GLY 7 1HA GLY 7 20.847 -7.802 -4.184 29 HA3 GLY 7 2HA GLY 7 21.539 -6.228 -4.548 30 H LEU 8 H LEU 8 19.335 -5.117 -5.922 31 HA LEU 8 HA LEU 8 17.884 -3.999 -3.835 32 HB2 LEU 8 1HB LEU 8 17.487 -4.161 -6.786 33 HB3 LEU 8 2HB LEU 8 16.197 -3.504 -5.781 34 HG LEU 8 HG LEU 8 17.548 -1.720 -6.716 35 HD11 LEU 8 1HD1 LEU 8 18.013 -0.512 -4.702 36 HD12 LEU 8 2HD1 LEU 8 18.132 -2.007 -3.774 37 HD13 LEU 8 3HD1 LEU 8 16.578 -1.502 -4.438 38 HD21 LEU 8 1HD2 LEU 8 19.929 -2.479 -5.121 39 HD22 LEU 8 2HD2 LEU 8 19.817 -1.598 -6.645 40 HD23 LEU 8 3HD2 LEU 8 19.643 -3.354 -6.625 41 H GLU 9 H GLU 9 15.729 -4.249 -3.133 42 HA GLU 9 HA GLU 9 14.268 -6.620 -3.974 43 HB2 GLU 9 1HB GLU 9 15.232 -6.201 -1.142 44 HB3 GLU 9 2HB GLU 9 13.980 -7.352 -1.590 45 HG2 GLU 9 1HG GLU 9 15.839 -8.193 -3.260 46 HG3 GLU 9 2HG GLU 9 16.906 -7.443 -2.073 47 H ALA 10 H ALA 10 12.073 -6.497 -3.617 48 HA ALA 10 HA ALA 10 11.057 -3.850 -3.031 49 HB1 ALA 10 1HB ALA 10 8.998 -5.814 -3.454 50 HB2 ALA 10 2HB ALA 10 9.430 -4.412 -4.433 51 HB3 ALA 10 3HB ALA 10 10.252 -5.951 -4.687 52 HA PRO 11 HA PRO 11 9.571 -4.486 1.048 53 HB2 PRO 11 1HB PRO 11 7.081 -3.407 0.986 54 HB3 PRO 11 2HB PRO 11 8.553 -2.430 0.919 55 HG2 PRO 11 1HG PRO 11 6.761 -3.311 -1.311 56 HG3 PRO 11 2HG PRO 11 7.511 -1.728 -1.037 57 HD2 PRO 11 1HD PRO 11 8.511 -3.530 -2.794 58 HD3 PRO 11 2HD PRO 11 9.543 -2.403 -1.890 59 H ARG 12 H ARG 12 8.344 -5.834 2.360 60 HA ARG 12 HA ARG 12 6.332 -7.528 1.063 61 HB2 ARG 12 1HB ARG 12 7.301 -9.544 1.770 62 HB3 ARG 12 2HB ARG 12 8.655 -8.613 1.144 63 HG2 ARG 12 1HG ARG 12 9.100 -7.904 3.530 64 HG3 ARG 12 2HG ARG 12 7.936 -9.140 4.010 65 HD2 ARG 12 1HD ARG 12 10.186 -9.849 2.177 66 HD3 ARG 12 2HD ARG 12 10.483 -9.702 3.908 67 HE ARG 12 HE ARG 12 9.270 -11.630 4.261 68 HH11 ARG 12 2HH1 ARG 12 8.901 -10.572 0.965 69 HH12 ARG 12 1HH1 ARG 12 8.140 -12.038 0.442 70 HH21 ARG 12 2HH2 ARG 12 8.269 -13.566 3.585 71 HH22 ARG 12 1HH2 ARG 12 7.781 -13.740 1.933 72 H ASP 13 H ASP 13 5.304 -9.002 2.840 73 HA ASP 13 HA ASP 13 4.055 -9.166 4.736 74 HB2 ASP 13 1HB ASP 13 6.452 -8.576 5.698 75 HB3 ASP 13 2HB ASP 13 5.653 -7.067 6.134 76 H LEU 14 H LEU 14 3.568 -7.114 2.656 77 HA LEU 14 HA LEU 14 2.533 -4.792 3.970 78 HB2 LEU 14 1HB LEU 14 3.260 -4.568 1.716 79 HB3 LEU 14 2HB LEU 14 2.221 -5.890 1.186 80 HG LEU 14 HG LEU 14 0.325 -4.247 2.056 81 HD11 LEU 14 1HD1 LEU 14 2.691 -2.491 1.496 82 HD12 LEU 14 2HD1 LEU 14 1.582 -2.454 2.867 83 HD13 LEU 14 3HD1 LEU 14 1.037 -1.917 1.278 84 HD21 LEU 14 1HD2 LEU 14 0.177 -4.988 -0.133 85 HD22 LEU 14 2HD2 LEU 14 1.761 -4.345 -0.567 86 HD23 LEU 14 3HD2 LEU 14 0.399 -3.249 -0.334 87 H GLU 15 H GLU 15 0.744 -4.744 5.143 88 HA GLU 15 HA GLU 15 -1.640 -6.123 4.206 89 HB2 GLU 15 1HB GLU 15 -0.573 -7.768 5.672 90 HB3 GLU 15 2HB GLU 15 -0.491 -6.579 6.965 91 HG2 GLU 15 1HG GLU 15 -2.330 -8.212 7.218 92 HG3 GLU 15 2HG GLU 15 -2.868 -6.534 7.172 93 H ALA 16 H ALA 16 -3.553 -5.189 4.889 94 HA ALA 16 HA ALA 16 -3.358 -2.465 5.768 95 HB1 ALA 16 1HB ALA 16 -5.578 -4.252 4.885 96 HB2 ALA 16 2HB ALA 16 -5.955 -2.744 5.719 97 HB3 ALA 16 3HB ALA 16 -5.036 -2.713 4.214 98 H LYS 17 H LYS 17 -3.312 -1.801 7.803 99 HA LYS 17 HA LYS 17 -4.537 -3.509 9.871 100 HB2 LYS 17 1HB LYS 17 -2.120 -1.706 10.104 101 HB3 LYS 17 2HB LYS 17 -2.859 -2.576 11.442 102 HG2 LYS 17 1HG LYS 17 -2.408 -4.695 10.130 103 HG3 LYS 17 2HG LYS 17 -1.401 -3.704 9.072 104 HD2 LYS 17 1HD LYS 17 0.151 -3.273 10.743 105 HD3 LYS 17 2HD LYS 17 -0.993 -3.638 12.037 106 HE2 LYS 17 1HE LYS 17 -0.957 -6.030 11.208 107 HE3 LYS 17 2HE LYS 17 0.415 -5.565 10.203 108 HZ1 LYS 17 1HZ LYS 17 1.019 -6.565 12.378 109 HZ2 LYS 17 2HZ LYS 17 0.345 -5.219 13.148 110 HZ3 LYS 17 3HZ LYS 17 1.679 -5.028 12.126 111 H GLU 18 H GLU 18 -5.452 -2.410 11.711 112 HA GLU 18 HA GLU 18 -6.955 -0.920 12.564 113 HB2 GLU 18 1HB GLU 18 -5.123 1.219 11.496 114 HB3 GLU 18 2HB GLU 18 -6.116 1.262 12.946 115 HG2 GLU 18 1HG GLU 18 -3.979 -0.794 12.743 116 HG3 GLU 18 2HG GLU 18 -3.526 0.876 13.075 117 H VAL 19 H VAL 19 -7.877 -1.813 10.210 118 HA VAL 19 HA VAL 19 -8.481 0.323 8.384 119 HB VAL 19 HB VAL 19 -9.695 -2.438 8.564 120 HG11 VAL 19 1HG1 VAL 19 -10.916 -1.984 6.739 121 HG12 VAL 19 2HG1 VAL 19 -10.657 -0.294 7.177 122 HG13 VAL 19 3HG1 VAL 19 -9.616 -1.066 5.980 123 HG21 VAL 19 1HG2 VAL 19 -7.093 -1.613 7.790 124 HG22 VAL 19 2HG2 VAL 19 -7.804 -3.226 7.709 125 HG23 VAL 19 3HG2 VAL 19 -7.957 -2.124 6.340 126 H THR 20 H THR 20 -10.242 1.592 8.310 127 HA THR 20 HA THR 20 -12.623 0.918 9.833 128 HB THR 20 HB THR 20 -12.507 3.438 10.683 129 HG1 THR 20 1HG THR 20 -10.556 4.163 10.200 130 HG21 THR 20 1HG2 THR 20 -11.851 0.853 11.818 131 HG22 THR 20 2HG2 THR 20 -12.745 2.198 12.527 132 HG23 THR 20 3HG2 THR 20 -10.985 2.159 12.627 133 HA PRO 21 HA PRO 21 -14.722 3.002 6.590 134 HB2 PRO 21 1HB PRO 21 -16.846 4.086 7.887 135 HB3 PRO 21 2HB PRO 21 -16.690 2.352 7.581 136 HG2 PRO 21 1HG PRO 21 -16.097 3.896 10.076 137 HG3 PRO 21 2HG PRO 21 -16.920 2.336 9.895 138 HD2 PRO 21 1HD PRO 21 -14.326 2.536 10.643 139 HD3 PRO 21 2HD PRO 21 -14.941 1.173 9.685 140 H ARG 22 H ARG 22 -13.062 4.666 8.908 141 HA ARG 22 HA ARG 22 -13.791 7.286 7.776 142 HB2 ARG 22 1HB ARG 22 -12.579 6.606 10.460 143 HB3 ARG 22 2HB ARG 22 -12.790 8.243 9.854 144 HG2 ARG 22 1HG ARG 22 -15.277 7.588 9.620 145 HG3 ARG 22 2HG ARG 22 -14.861 6.272 10.719 146 HD2 ARG 22 1HD ARG 22 -14.318 7.728 12.453 147 HD3 ARG 22 2HD ARG 22 -14.113 9.099 11.363 148 HE ARG 22 HE ARG 22 -16.783 8.227 11.263 149 HH11 ARG 22 2HH1 ARG 22 -14.549 9.815 13.410 150 HH12 ARG 22 1HH1 ARG 22 -15.780 10.709 14.240 151 HH21 ARG 22 2HH2 ARG 22 -18.412 9.398 12.348 152 HH22 ARG 22 1HH2 ARG 22 -17.977 10.470 13.636 153 H THR 23 H THR 23 -11.175 5.092 8.548 154 HA THR 23 HA THR 23 -9.465 6.392 6.626 155 HB THR 23 HB THR 23 -7.554 6.597 8.274 156 HG1 THR 23 1HG THR 23 -9.387 6.931 10.340 157 HG21 THR 23 1HG2 THR 23 -9.869 8.435 8.868 158 HG22 THR 23 2HG2 THR 23 -8.924 8.515 7.381 159 HG23 THR 23 3HG2 THR 23 -8.147 8.808 8.936 160 H ALA 24 H ALA 24 -7.155 5.261 6.830 161 HA ALA 24 HA ALA 24 -7.291 2.507 7.691 162 HB1 ALA 24 1HB ALA 24 -7.256 1.435 5.648 163 HB2 ALA 24 2HB ALA 24 -8.397 2.747 5.350 164 HB3 ALA 24 3HB ALA 24 -6.733 2.879 4.780 165 H LEU 25 H LEU 25 -5.287 1.589 7.957 166 HA LEU 25 HA LEU 25 -2.977 3.263 7.217 167 HB2 LEU 25 1HB LEU 25 -3.165 3.458 9.546 168 HB3 LEU 25 2HB LEU 25 -3.564 1.752 9.741 169 HG LEU 25 HG LEU 25 -1.114 1.418 8.830 170 HD11 LEU 25 1HD1 LEU 25 -1.105 4.082 8.681 171 HD12 LEU 25 2HD1 LEU 25 0.344 3.139 9.025 172 HD13 LEU 25 3HD1 LEU 25 -0.548 3.895 10.344 173 HD21 LEU 25 1HD2 LEU 25 -1.632 0.537 10.918 174 HD22 LEU 25 2HD2 LEU 25 -2.024 2.116 11.598 175 HD23 LEU 25 3HD2 LEU 25 -0.343 1.687 11.274 176 H LEU 26 H LEU 26 -1.231 2.272 6.321 177 HA LEU 26 HA LEU 26 -1.388 -0.649 5.971 178 HB2 LEU 26 1HB LEU 26 -0.905 1.531 4.021 179 HB3 LEU 26 2HB LEU 26 0.018 0.044 3.818 180 HG LEU 26 HG LEU 26 -2.943 -0.139 4.105 181 HD11 LEU 26 1HD1 LEU 26 -3.217 1.303 2.408 182 HD12 LEU 26 2HD1 LEU 26 -2.653 -0.040 1.414 183 HD13 LEU 26 3HD1 LEU 26 -1.524 1.215 1.921 184 HD21 LEU 26 1HD2 LEU 26 -2.188 -2.254 3.878 185 HD22 LEU 26 2HD2 LEU 26 -0.699 -1.754 3.076 186 HD23 LEU 26 3HD2 LEU 26 -2.205 -1.847 2.162 187 H THR 27 H THR 27 0.335 -1.772 6.608 188 HA THR 27 HA THR 27 2.840 -0.300 7.116 189 HB THR 27 HB THR 27 3.317 -1.775 8.960 190 HG1 THR 27 1HG THR 27 2.419 -3.681 9.003 191 HG21 THR 27 1HG2 THR 27 0.475 -1.226 9.570 192 HG22 THR 27 2HG2 THR 27 1.444 0.151 9.043 193 HG23 THR 27 3HG2 THR 27 1.932 -0.782 10.458 194 H TRP 28 H TRP 28 4.713 -1.119 6.334 195 HA TRP 28 HA TRP 28 4.656 -3.782 5.095 196 HB2 TRP 28 1HB TRP 28 5.789 -2.971 3.118 197 HB3 TRP 28 2HB TRP 28 4.313 -2.038 3.351 198 HD1 TRP 28 HD TRP 28 8.129 -1.703 3.585 199 HE1 TRP 28 1HE TRP 28 8.731 0.800 3.559 200 HE3 TRP 28 3HE TRP 28 3.420 0.267 3.868 201 HZ2 TRP 28 2HZ TRP 28 7.387 3.280 3.647 202 HZ3 TRP 28 3HZ TRP 28 3.165 2.715 3.892 203 HH2 TRP 28 HH TRP 28 5.108 4.188 3.785 204 H THR 29 H THR 29 6.713 -4.800 4.886 205 HA THR 29 HA THR 29 8.508 -4.124 7.038 206 HB THR 29 HB THR 29 8.664 -6.341 4.986 207 HG1 THR 29 1HG THR 29 7.934 -6.476 7.736 208 HG21 THR 29 1HG2 THR 29 10.587 -7.060 5.913 209 HG22 THR 29 2HG2 THR 29 10.072 -6.635 7.545 210 HG23 THR 29 3HG2 THR 29 10.740 -5.398 6.481 211 H GLU 30 H GLU 30 10.374 -3.048 6.901 212 HA GLU 30 HA GLU 30 11.129 -1.724 4.519 213 HB2 GLU 30 1HB GLU 30 11.631 -1.301 7.140 214 HB3 GLU 30 2HB GLU 30 13.159 -2.021 6.651 215 HG2 GLU 30 1HG GLU 30 12.959 -0.266 4.694 216 HG3 GLU 30 2HG GLU 30 11.940 0.568 5.866 217 HA PRO 31 HA PRO 31 13.440 -5.017 2.640 218 HB2 PRO 31 1HB PRO 31 14.435 -3.551 0.583 219 HB3 PRO 31 2HB PRO 31 12.764 -4.127 0.632 220 HG2 PRO 31 1HG PRO 31 13.858 -1.424 1.313 221 HG3 PRO 31 2HG PRO 31 12.399 -1.842 0.395 222 HD2 PRO 31 1HD PRO 31 12.318 -1.090 2.995 223 HD3 PRO 31 2HD PRO 31 11.164 -2.246 2.299 224 HA PRO 32 HA PRO 32 17.641 -4.601 3.867 225 HB2 PRO 32 1HB PRO 32 18.997 -5.781 1.832 226 HB3 PRO 32 2HB PRO 32 18.022 -6.691 2.992 227 HG2 PRO 32 1HG PRO 32 17.328 -5.800 0.219 228 HG3 PRO 32 2HG PRO 32 17.018 -7.360 1.004 229 HD2 PRO 32 1HD PRO 32 15.114 -5.452 0.755 230 HD3 PRO 32 2HD PRO 32 15.172 -6.568 2.134 231 H VAL 33 H VAL 33 16.425 -2.797 1.388 232 HA VAL 33 HA VAL 33 18.939 -1.288 1.126 233 HB VAL 33 HB VAL 33 16.939 -1.760 -1.090 234 HG11 VAL 33 1HG1 VAL 33 17.965 0.488 -1.107 235 HG12 VAL 33 2HG1 VAL 33 19.559 -0.268 -1.157 236 HG13 VAL 33 3HG1 VAL 33 18.434 -0.490 -2.497 237 HG21 VAL 33 1HG2 VAL 33 19.809 -2.610 -1.129 238 HG22 VAL 33 2HG2 VAL 33 18.580 -3.634 -0.386 239 HG23 VAL 33 3HG2 VAL 33 18.456 -3.205 -2.092 240 H ARG 34 H ARG 34 18.755 0.946 1.048 241 HA ARG 34 HA ARG 34 16.199 1.986 2.018 242 HB2 ARG 34 1HB ARG 34 18.369 2.434 3.237 243 HB3 ARG 34 2HB ARG 34 18.843 3.434 1.870 244 HG2 ARG 34 1HG ARG 34 17.989 5.032 3.244 245 HG3 ARG 34 2HG ARG 34 16.528 4.595 2.355 246 HD2 ARG 34 1HD ARG 34 15.795 3.174 4.144 247 HD3 ARG 34 2HD ARG 34 17.323 3.385 4.998 248 HE ARG 34 HE ARG 34 15.970 5.862 4.540 249 HH11 ARG 34 2HH1 ARG 34 16.125 3.069 6.614 250 HH12 ARG 34 1HH1 ARG 34 15.463 3.891 7.988 251 HH21 ARG 34 2HH2 ARG 34 15.098 6.955 6.342 252 HH22 ARG 34 1HH2 ARG 34 14.878 6.101 7.832 253 HA PRO 35 HA PRO 35 15.638 3.404 -2.229 254 HB2 PRO 35 1HB PRO 35 13.016 4.029 -1.902 255 HB3 PRO 35 2HB PRO 35 13.582 2.379 -2.184 256 HG2 PRO 35 1HG PRO 35 12.829 3.710 0.390 257 HG3 PRO 35 2HG PRO 35 12.435 2.079 -0.183 258 HD2 PRO 35 1HD PRO 35 14.422 2.560 1.593 259 HD3 PRO 35 2HD PRO 35 14.497 1.237 0.412 260 H ALA 36 H ALA 36 14.981 5.452 -3.179 261 HA ALA 36 HA ALA 36 15.821 7.684 -1.568 262 HB1 ALA 36 1HB ALA 36 14.677 8.148 -4.257 263 HB2 ALA 36 2HB ALA 36 16.142 8.794 -3.518 264 HB3 ALA 36 3HB ALA 36 16.130 7.154 -4.164 265 H GLY 37 H GLY 37 12.799 6.455 -2.869 266 HA2 GLY 37 1HA GLY 37 11.304 8.107 -1.037 267 HA3 GLY 37 2HA GLY 37 11.085 8.556 -2.722 268 H TYR 38 H TYR 38 8.838 7.903 -1.642 269 HA TYR 38 HA TYR 38 8.301 5.183 -2.612 270 HB2 TYR 38 1HB TYR 38 7.699 6.327 0.067 271 HB3 TYR 38 2HB TYR 38 6.473 5.297 -0.664 272 HD1 TYR 38 2HD TYR 38 7.517 3.047 -1.724 273 HD2 TYR 38 1HD TYR 38 9.215 5.301 1.460 274 HE1 TYR 38 2HE TYR 38 8.739 1.050 -0.971 275 HE2 TYR 38 1HE TYR 38 10.444 3.311 2.221 276 HH TYR 38 HH TYR 38 10.302 0.882 2.051 277 H LEU 39 H LEU 39 6.596 5.034 -3.938 278 HA LEU 39 HA LEU 39 4.849 7.392 -4.186 279 HB2 LEU 39 1HB LEU 39 6.156 7.106 -6.166 280 HB3 LEU 39 2HB LEU 39 5.756 5.391 -6.244 281 HG LEU 39 HG LEU 39 3.393 6.026 -6.705 282 HD11 LEU 39 1HD1 LEU 39 2.783 8.108 -6.223 283 HD12 LEU 39 2HD1 LEU 39 3.638 8.604 -7.684 284 HD13 LEU 39 3HD1 LEU 39 4.457 8.655 -6.123 285 HD21 LEU 39 1HD2 LEU 39 3.753 6.544 -9.012 286 HD22 LEU 39 2HD2 LEU 39 5.053 5.476 -8.482 287 HD23 LEU 39 3HD2 LEU 39 5.351 7.205 -8.668 288 H LEU 40 H LEU 40 3.289 6.710 -2.717 289 HA LEU 40 HA LEU 40 2.042 4.118 -3.020 290 HB2 LEU 40 1HB LEU 40 2.370 5.116 -0.803 291 HB3 LEU 40 2HB LEU 40 1.312 6.451 -1.255 292 HG LEU 40 HG LEU 40 -0.479 4.622 -1.595 293 HD11 LEU 40 1HD1 LEU 40 1.264 3.131 0.344 294 HD12 LEU 40 2HD1 LEU 40 1.265 2.790 -1.386 295 HD13 LEU 40 3HD1 LEU 40 -0.215 2.588 -0.449 296 HD21 LEU 40 1HD2 LEU 40 -0.655 4.541 1.061 297 HD22 LEU 40 2HD2 LEU 40 -1.012 5.996 0.132 298 HD23 LEU 40 3HD2 LEU 40 0.559 5.811 0.912 299 H SER 41 H SER 41 0.746 3.846 -4.721 300 HA SER 41 HA SER 41 -1.080 6.029 -5.465 301 HB2 SER 41 1HB SER 41 -0.036 3.678 -7.055 302 HB3 SER 41 2HB SER 41 -1.310 4.754 -7.631 303 HG SER 41 HG SER 41 1.102 5.161 -8.106 304 H PHE 42 H PHE 42 -3.033 5.815 -4.607 305 HA PHE 42 HA PHE 42 -4.263 3.140 -4.584 306 HB2 PHE 42 1HB PHE 42 -5.090 3.403 -2.437 307 HB3 PHE 42 2HB PHE 42 -3.528 4.204 -2.302 308 HD1 PHE 42 2HD PHE 42 -3.375 6.608 -2.085 309 HD2 PHE 42 1HD PHE 42 -7.148 4.664 -2.405 310 HE1 PHE 42 2HE PHE 42 -4.493 8.659 -1.315 311 HE2 PHE 42 1HE PHE 42 -8.272 6.713 -1.636 312 HZ PHE 42 HZ PHE 42 -6.945 8.713 -1.089 313 H HIS 43 H HIS 43 -6.025 3.049 -5.796 314 HA HIS 43 HA HIS 43 -7.578 5.519 -6.212 315 HB2 HIS 43 1HB HIS 43 -7.784 5.098 -8.451 316 HB3 HIS 43 2HB HIS 43 -6.230 4.317 -8.175 317 HD1 HIS 43 1HD HIS 43 -6.177 1.728 -8.232 318 HD2 HIS 43 2HD HIS 43 -9.902 3.377 -9.048 319 HE1 HIS 43 1HE HIS 43 -7.553 -0.153 -9.179 320 HE2 HIS 43 2HE HIS 43 -9.775 0.889 -9.744 321 H THR 44 H THR 44 -9.858 5.289 -6.458 322 HA THR 44 HA THR 44 -10.911 2.994 -4.974 323 HB THR 44 HB THR 44 -11.601 5.047 -3.999 324 HG1 THR 44 1HG THR 44 -13.986 4.989 -4.792 325 HG21 THR 44 1HG2 THR 44 -12.916 6.720 -5.387 326 HG22 THR 44 2HG2 THR 44 -12.309 5.870 -6.808 327 HG23 THR 44 3HG2 THR 44 -11.182 6.644 -5.694 328 HA PRO 45 HA PRO 45 -12.673 1.219 -8.606 329 HB2 PRO 45 1HB PRO 45 -14.556 -0.335 -7.419 330 HB3 PRO 45 2HB PRO 45 -12.831 -0.724 -7.389 331 HG2 PRO 45 1HG PRO 45 -14.516 0.577 -5.284 332 HG3 PRO 45 2HG PRO 45 -13.275 -0.677 -5.107 333 HD2 PRO 45 1HD PRO 45 -12.794 1.933 -4.572 334 HD3 PRO 45 2HD PRO 45 -11.545 0.843 -5.206 335 H GLY 46 H GLY 46 -14.132 3.533 -6.737 336 HA2 GLY 46 1HA GLY 46 -16.380 3.719 -8.623 337 HA3 GLY 46 2HA GLY 46 -16.707 3.788 -6.898 338 H GLY 47 H GLY 47 -13.791 5.186 -8.168 339 HA2 GLY 47 1HA GLY 47 -14.931 7.842 -8.391 340 HA3 GLY 47 2HA GLY 47 -13.893 7.604 -6.994 341 H GLN 48 H GLN 48 -12.354 9.083 -7.709 342 HA GLN 48 HA GLN 48 -10.942 8.392 -10.191 343 HB2 GLN 48 1HB GLN 48 -11.539 10.646 -10.324 344 HB3 GLN 48 2HB GLN 48 -11.212 10.934 -8.621 345 HG2 GLN 48 1HG GLN 48 -8.901 11.006 -8.957 346 HG3 GLN 48 2HG GLN 48 -9.021 10.249 -10.544 347 HE21 GLN 48 1HE2 GLN 48 -9.454 13.185 -8.725 348 HE22 GLN 48 2HE2 GLN 48 -9.527 14.252 -10.082 349 H THR 49 H THR 49 -8.615 8.423 -10.201 350 HA THR 49 HA THR 49 -7.494 7.022 -8.001 351 HB THR 49 HB THR 49 -6.063 8.313 -10.332 352 HG1 THR 49 1HG THR 49 -6.934 6.736 -11.428 353 HG21 THR 49 1HG2 THR 49 -4.724 7.629 -8.256 354 HG22 THR 49 2HG2 THR 49 -4.198 6.983 -9.811 355 HG23 THR 49 3HG2 THR 49 -5.122 5.970 -8.701 356 H GLN 50 H GLN 50 -5.957 7.662 -6.499 357 HA GLN 50 HA GLN 50 -5.415 10.546 -6.316 358 HB2 GLN 50 1HB GLN 50 -7.203 10.050 -4.746 359 HB3 GLN 50 2HB GLN 50 -6.270 8.728 -4.058 360 HG2 GLN 50 1HG GLN 50 -5.907 10.373 -2.516 361 HG3 GLN 50 2HG GLN 50 -4.516 10.595 -3.577 362 HE21 GLN 50 1HE2 GLN 50 -4.860 12.704 -2.234 363 HE22 GLN 50 2HE2 GLN 50 -5.727 13.948 -3.062 364 H GLU 51 H GLU 51 -3.317 10.969 -6.186 365 HA GLU 51 HA GLU 51 -1.495 8.802 -5.409 366 HB2 GLU 51 1HB GLU 51 -1.274 11.153 -7.224 367 HB3 GLU 51 2HB GLU 51 0.187 10.603 -6.416 368 HG2 GLU 51 1HG GLU 51 -0.251 8.327 -7.329 369 HG3 GLU 51 2HG GLU 51 -1.579 9.017 -8.261 370 H ILE 52 H ILE 52 0.303 9.251 -4.032 371 HA ILE 52 HA ILE 52 0.161 11.710 -2.456 372 HB ILE 52 HB ILE 52 0.131 8.954 -1.220 373 HG12 ILE 52 1HG1 ILE 52 -1.910 11.187 -1.153 374 HG13 ILE 52 2HG1 ILE 52 -2.068 9.677 -2.043 375 HG21 ILE 52 1HG2 ILE 52 -0.196 11.320 0.486 376 HG22 ILE 52 2HG2 ILE 52 0.716 9.836 0.762 377 HG23 ILE 52 3HG2 ILE 52 1.408 11.127 -0.221 378 HD11 ILE 52 1HD1 ILE 52 -3.357 9.639 0.015 379 HD12 ILE 52 2HD1 ILE 52 -2.065 8.438 0.054 380 HD13 ILE 52 3HD1 ILE 52 -1.894 9.948 0.949 381 H LEU 53 H LEU 53 2.118 12.511 -2.020 382 HA LEU 53 HA LEU 53 4.454 10.986 -2.822 383 HB2 LEU 53 1HB LEU 53 4.177 13.331 -3.512 384 HB3 LEU 53 2HB LEU 53 4.225 13.821 -1.820 385 HG LEU 53 HG LEU 53 6.556 12.883 -1.721 386 HD11 LEU 53 1HD1 LEU 53 5.851 11.941 -4.295 387 HD12 LEU 53 2HD1 LEU 53 7.367 11.722 -3.423 388 HD13 LEU 53 3HD1 LEU 53 7.156 13.111 -4.489 389 HD21 LEU 53 1HD2 LEU 53 6.727 15.130 -1.800 390 HD22 LEU 53 2HD2 LEU 53 5.657 15.273 -3.195 391 HD23 LEU 53 3HD2 LEU 53 7.346 14.815 -3.421 392 H LEU 54 H LEU 54 5.499 9.747 -1.424 393 HA LEU 54 HA LEU 54 5.153 10.114 1.428 394 HB2 LEU 54 1HB LEU 54 6.526 8.046 -0.259 395 HB3 LEU 54 2HB LEU 54 6.692 8.074 1.495 396 HG LEU 54 HG LEU 54 5.011 6.448 0.661 397 HD11 LEU 54 1HD1 LEU 54 4.539 6.875 2.833 398 HD12 LEU 54 2HD1 LEU 54 3.092 7.590 2.122 399 HD13 LEU 54 3HD1 LEU 54 4.446 8.619 2.588 400 HD21 LEU 54 1HD2 LEU 54 3.123 7.045 -0.493 401 HD22 LEU 54 2HD2 LEU 54 4.286 8.189 -1.166 402 HD23 LEU 54 3HD2 LEU 54 3.160 8.710 0.088 403 HA PRO 55 HA PRO 55 8.887 12.260 2.273 404 HB2 PRO 55 1HB PRO 55 9.579 11.204 4.676 405 HB3 PRO 55 2HB PRO 55 8.222 12.317 4.471 406 HG2 PRO 55 1HG PRO 55 8.207 9.331 4.681 407 HG3 PRO 55 2HG PRO 55 7.122 10.510 5.439 408 HD2 PRO 55 1HD PRO 55 6.437 9.115 3.222 409 HD3 PRO 55 2HD PRO 55 5.860 10.766 3.527 410 H GLY 56 H GLY 56 8.921 8.755 2.343 411 HA2 GLY 56 1HA GLY 56 10.519 7.337 1.431 412 HA3 GLY 56 2HA GLY 56 11.542 8.733 1.127 413 H GLY 57 H GLY 57 10.606 6.304 3.461 414 HA2 GLY 57 1HA GLY 57 12.748 5.533 4.656 415 HA3 GLY 57 2HA GLY 57 12.781 7.190 5.239 416 H ILE 58 H ILE 58 9.910 5.187 4.813 417 HA ILE 58 HA ILE 58 9.610 5.095 7.741 418 HB ILE 58 HB ILE 58 7.341 5.668 7.656 419 HG12 ILE 58 1HG1 ILE 58 7.527 5.256 4.668 420 HG13 ILE 58 2HG1 ILE 58 6.602 4.299 5.820 421 HG21 ILE 58 1HG2 ILE 58 7.718 7.625 5.638 422 HG22 ILE 58 2HG2 ILE 58 7.825 7.814 7.387 423 HG23 ILE 58 3HG2 ILE 58 9.260 7.380 6.457 424 HD11 ILE 58 1HD1 ILE 58 5.716 6.947 6.098 425 HD12 ILE 58 2HD1 ILE 58 5.823 6.625 4.366 426 HD13 ILE 58 3HD1 ILE 58 4.853 5.576 5.400 427 H THR 59 H THR 59 7.497 3.594 8.130 428 HA THR 59 HA THR 59 7.873 1.155 6.523 429 HB THR 59 HB THR 59 7.473 -0.139 8.670 430 HG1 THR 59 1HG THR 59 8.411 2.159 10.012 431 HG21 THR 59 1HG2 THR 59 9.739 -0.313 9.089 432 HG22 THR 59 2HG2 THR 59 10.012 1.421 8.911 433 HG23 THR 59 3HG2 THR 59 9.739 0.420 7.485 434 H SER 60 H SER 60 5.763 3.473 7.599 435 HA SER 60 HA SER 60 3.481 2.051 6.635 436 HB2 SER 60 1HB SER 60 3.496 2.766 9.576 437 HB3 SER 60 2HB SER 60 2.165 2.035 8.679 438 HG SER 60 HG SER 60 4.347 0.864 9.795 439 H HIS 61 H HIS 61 1.972 3.441 5.897 440 HA HIS 61 HA HIS 61 2.182 6.258 6.733 441 HB2 HIS 61 1HB HIS 61 3.069 5.607 4.375 442 HB3 HIS 61 2HB HIS 61 1.365 5.482 3.949 443 HD1 HIS 61 1HD HIS 61 0.573 7.544 2.867 444 HD2 HIS 61 2HD HIS 61 3.446 8.342 5.760 445 HE1 HIS 61 1HE HIS 61 0.856 10.043 2.862 446 HE2 HIS 61 2HE HIS 61 2.661 10.495 4.560 447 H GLN 62 H GLN 62 0.322 7.266 7.246 448 HA GLN 62 HA GLN 62 -2.090 5.671 7.349 449 HB2 GLN 62 1HB GLN 62 -1.531 6.989 9.295 450 HB3 GLN 62 2HB GLN 62 -1.463 8.458 8.331 451 HG2 GLN 62 1HG GLN 62 -3.511 8.582 9.419 452 HG3 GLN 62 2HG GLN 62 -3.918 8.014 7.800 453 HE21 GLN 62 1HE2 GLN 62 -5.444 6.543 7.841 454 HE22 GLN 62 2HE2 GLN 62 -5.646 5.308 9.032 455 H LEU 63 H LEU 63 -4.095 6.267 6.444 456 HA LEU 63 HA LEU 63 -3.885 8.105 4.150 457 HB2 LEU 63 1HB LEU 63 -5.492 5.571 4.426 458 HB3 LEU 63 2HB LEU 63 -5.632 6.697 3.077 459 HG LEU 63 HG LEU 63 -3.126 5.176 3.791 460 HD11 LEU 63 1HD1 LEU 63 -5.288 3.957 2.883 461 HD12 LEU 63 2HD1 LEU 63 -3.676 3.546 2.299 462 HD13 LEU 63 3HD1 LEU 63 -4.714 4.608 1.348 463 HD21 LEU 63 1HD2 LEU 63 -2.283 5.948 1.683 464 HD22 LEU 63 2HD2 LEU 63 -2.817 7.346 2.616 465 HD23 LEU 63 3HD2 LEU 63 -3.818 6.728 1.302 466 H LEU 64 H LEU 64 -5.292 9.741 4.057 467 HA LEU 64 HA LEU 64 -7.539 9.728 5.962 468 HB2 LEU 64 1HB LEU 64 -6.032 12.073 4.812 469 HB3 LEU 64 2HB LEU 64 -7.400 12.179 5.917 470 HG LEU 64 HG LEU 64 -4.769 10.881 6.613 471 HD11 LEU 64 1HD1 LEU 64 -5.496 13.438 7.857 472 HD12 LEU 64 2HD1 LEU 64 -5.066 13.532 6.150 473 HD13 LEU 64 3HD1 LEU 64 -3.929 12.843 7.308 474 HD21 LEU 64 1HD2 LEU 64 -7.092 11.766 8.321 475 HD22 LEU 64 2HD2 LEU 64 -5.591 11.044 8.899 476 HD23 LEU 64 3HD2 LEU 64 -6.698 10.098 7.902 477 H GLY 65 H GLY 65 -9.570 10.123 5.244 478 HA2 GLY 65 1HA GLY 65 -11.224 10.896 3.766 479 HA3 GLY 65 2HA GLY 65 -9.982 11.166 2.552 480 H LEU 66 H LEU 66 -11.784 8.615 4.226 481 HA LEU 66 HA LEU 66 -11.621 7.020 1.757 482 HB2 LEU 66 1HB LEU 66 -11.560 5.943 4.572 483 HB3 LEU 66 2HB LEU 66 -11.517 4.990 3.090 484 HG LEU 66 HG LEU 66 -9.365 6.901 3.998 485 HD11 LEU 66 1HD1 LEU 66 -8.196 5.146 4.864 486 HD12 LEU 66 2HD1 LEU 66 -8.976 3.962 3.816 487 HD13 LEU 66 3HD1 LEU 66 -9.838 4.605 5.213 488 HD21 LEU 66 1HD2 LEU 66 -9.639 6.597 1.526 489 HD22 LEU 66 2HD2 LEU 66 -9.296 4.883 1.763 490 HD23 LEU 66 3HD2 LEU 66 -8.076 6.092 2.167 491 H PHE 67 H PHE 67 -13.379 5.400 1.572 492 HA PHE 67 HA PHE 67 -15.886 6.549 2.574 493 HB2 PHE 67 1HB PHE 67 -15.325 4.714 0.238 494 HB3 PHE 67 2HB PHE 67 -16.941 5.195 0.744 495 HD1 PHE 67 2HD PHE 67 -16.570 8.028 1.371 496 HD2 PHE 67 1HD PHE 67 -15.005 5.698 -1.828 497 HE1 PHE 67 2HE PHE 67 -16.401 10.053 -0.016 498 HE2 PHE 67 1HE PHE 67 -14.832 7.720 -3.220 499 HZ PHE 67 HZ PHE 67 -15.532 9.901 -2.315 500 HA PRO 68 HA PRO 68 -16.651 3.125 5.221 501 HB2 PRO 68 1HB PRO 68 -19.366 3.151 5.248 502 HB3 PRO 68 2HB PRO 68 -18.385 4.360 6.085 503 HG2 PRO 68 1HG PRO 68 -19.754 4.540 3.429 504 HG3 PRO 68 2HG PRO 68 -19.665 5.746 4.725 505 HD2 PRO 68 1HD PRO 68 -18.092 5.854 2.524 506 HD3 PRO 68 2HD PRO 68 -17.551 6.431 4.113 507 H SER 69 H SER 69 -16.349 1.068 4.660 508 HA SER 69 HA SER 69 -16.613 -0.977 3.698 509 HB2 SER 69 1HB SER 69 -18.978 -0.671 4.443 510 HB3 SER 69 2HB SER 69 -19.345 0.027 2.865 511 HG SER 69 HG SER 69 -18.361 -2.082 2.089 512 H THR 70 H THR 70 -15.303 1.023 2.229 513 HA THR 70 HA THR 70 -16.070 0.343 -0.536 514 HB THR 70 HB THR 70 -14.646 2.818 0.461 515 HG1 THR 70 1HG THR 70 -17.070 2.810 -0.971 516 HG21 THR 70 1HG2 THR 70 -14.351 3.514 -1.732 517 HG22 THR 70 2HG2 THR 70 -15.574 2.406 -2.356 518 HG23 THR 70 3HG2 THR 70 -14.003 1.789 -1.845 519 H SER 71 H SER 71 -14.711 -0.976 -1.537 520 HA SER 71 HA SER 71 -12.226 -1.758 -0.424 521 HB2 SER 71 1HB SER 71 -13.648 -3.217 -1.866 522 HB3 SER 71 2HB SER 71 -13.216 -2.212 -3.249 523 HG SER 71 HG SER 71 -11.401 -3.248 -3.375 524 H TYR 72 H TYR 72 -10.151 -1.223 -0.945 525 HA TYR 72 HA TYR 72 -9.746 0.838 -3.000 526 HB2 TYR 72 1HB TYR 72 -8.873 0.902 -0.125 527 HB3 TYR 72 2HB TYR 72 -7.984 1.791 -1.357 528 HD1 TYR 72 2HD TYR 72 -9.029 3.682 -2.522 529 HD2 TYR 72 1HD TYR 72 -11.051 1.623 0.604 530 HE1 TYR 72 2HE TYR 72 -10.621 5.547 -2.332 531 HE2 TYR 72 1HE TYR 72 -12.650 3.482 0.802 532 HH TYR 72 HH TYR 72 -12.156 6.502 -0.728 533 H ASN 73 H ASN 73 -7.851 0.709 -4.141 534 HA ASN 73 HA ASN 73 -6.194 -1.663 -3.596 535 HB2 ASN 73 1HB ASN 73 -7.474 -1.619 -5.760 536 HB3 ASN 73 2HB ASN 73 -6.510 -0.224 -6.237 537 HD21 ASN 73 1HD2 ASN 73 -4.256 -0.499 -6.541 538 HD22 ASN 73 2HD2 ASN 73 -3.600 -2.052 -6.919 539 H ALA 74 H ALA 74 -4.514 -0.943 -2.409 540 HA ALA 74 HA ALA 74 -3.146 1.518 -3.218 541 HB1 ALA 74 1HB ALA 74 -3.665 1.444 -0.890 542 HB2 ALA 74 2HB ALA 74 -2.947 -0.159 -0.723 543 HB3 ALA 74 3HB ALA 74 -1.922 1.237 -1.057 544 H ARG 75 H ARG 75 -0.925 1.578 -3.649 545 HA ARG 75 HA ARG 75 0.421 -1.004 -4.008 546 HB2 ARG 75 1HB ARG 75 -0.440 -0.481 -6.194 547 HB3 ARG 75 2HB ARG 75 0.160 1.168 -6.089 548 HG2 ARG 75 1HG ARG 75 2.482 0.006 -5.846 549 HG3 ARG 75 2HG ARG 75 1.651 -1.363 -6.587 550 HD2 ARG 75 1HD ARG 75 2.396 -0.315 -8.469 551 HD3 ARG 75 2HD ARG 75 0.847 0.503 -8.277 552 HE ARG 75 HE ARG 75 2.825 1.931 -6.883 553 HH11 ARG 75 2HH1 ARG 75 1.844 1.176 -10.137 554 HH12 ARG 75 1HH1 ARG 75 2.490 2.636 -10.810 555 HH21 ARG 75 2HH2 ARG 75 3.680 3.857 -7.757 556 HH22 ARG 75 1HH2 ARG 75 3.535 4.160 -9.456 557 H LEU 76 H LEU 76 2.507 -1.010 -3.398 558 HA LEU 76 HA LEU 76 3.674 1.560 -2.579 559 HB2 LEU 76 1HB LEU 76 3.308 -0.287 -0.889 560 HB3 LEU 76 2HB LEU 76 4.569 -1.184 -1.731 561 HG LEU 76 HG LEU 76 6.111 0.752 -1.238 562 HD11 LEU 76 1HD1 LEU 76 5.161 1.923 0.965 563 HD12 LEU 76 2HD1 LEU 76 3.643 1.680 0.101 564 HD13 LEU 76 3HD1 LEU 76 4.946 2.601 -0.649 565 HD21 LEU 76 1HD2 LEU 76 5.648 -1.478 0.139 566 HD22 LEU 76 2HD2 LEU 76 5.179 -0.305 1.370 567 HD23 LEU 76 3HD2 LEU 76 6.801 -0.257 0.677 568 H GLN 77 H GLN 77 4.834 2.321 -4.253 569 HA GLN 77 HA GLN 77 6.827 0.511 -5.451 570 HB2 GLN 77 1HB GLN 77 4.844 1.480 -6.885 571 HB3 GLN 77 2HB GLN 77 5.840 2.929 -6.909 572 HG2 GLN 77 1HG GLN 77 7.702 1.201 -7.632 573 HG3 GLN 77 2HG GLN 77 6.296 0.288 -8.175 574 HE21 GLN 77 1HE2 GLN 77 7.172 0.572 -10.308 575 HE22 GLN 77 2HE2 GLN 77 6.886 2.044 -11.166 576 H ALA 78 H ALA 78 8.709 0.994 -4.511 577 HA ALA 78 HA ALA 78 9.341 3.725 -3.754 578 HB1 ALA 78 1HB ALA 78 10.423 2.663 -2.135 579 HB2 ALA 78 2HB ALA 78 10.183 1.108 -2.933 580 HB3 ALA 78 3HB ALA 78 11.586 2.099 -3.335 581 H MET 79 H MET 79 11.190 4.861 -4.483 582 HA MET 79 HA MET 79 11.913 4.203 -7.241 583 HB2 MET 79 1HB MET 79 12.525 6.751 -5.744 584 HB3 MET 79 2HB MET 79 12.573 6.491 -7.482 585 HG2 MET 79 1HG MET 79 10.117 6.104 -7.427 586 HG3 MET 79 2HG MET 79 10.135 6.555 -5.724 587 HE1 MET 79 1HE MET 79 11.330 8.982 -4.980 588 HE2 MET 79 2HE MET 79 10.336 10.280 -5.641 589 HE3 MET 79 3HE MET 79 9.572 8.835 -4.978 590 H TRP 80 H TRP 80 13.787 3.255 -7.657 591 HA TRP 80 HA TRP 80 16.007 3.634 -5.755 592 HB2 TRP 80 1HB TRP 80 15.063 1.190 -7.217 593 HB3 TRP 80 2HB TRP 80 16.756 1.338 -6.755 594 HD1 TRP 80 HD TRP 80 17.300 1.376 -4.102 595 HE1 TRP 80 1HE TRP 80 15.984 0.439 -2.098 596 HE3 TRP 80 3HE TRP 80 12.740 0.779 -6.335 597 HZ2 TRP 80 2HZ TRP 80 13.360 -0.438 -1.539 598 HZ3 TRP 80 3HZ TRP 80 10.880 -0.116 -4.996 599 HH2 TRP 80 HH TRP 80 11.185 -0.712 -2.648 600 H GLY 81 H GLY 81 18.165 3.553 -6.665 601 HA2 GLY 81 1HA GLY 81 18.719 5.279 -8.659 602 HA3 GLY 81 2HA GLY 81 19.757 3.904 -8.312 603 H GLN 82 H GLN 82 17.987 5.425 -10.669 604 HA GLN 82 HA GLN 82 17.019 4.748 -12.657 605 HB2 GLN 82 1HB GLN 82 19.603 4.796 -12.851 606 HB3 GLN 82 2HB GLN 82 19.479 3.042 -12.906 607 HG2 GLN 82 1HG GLN 82 17.945 3.270 -14.845 608 HG3 GLN 82 2HG GLN 82 18.256 5.005 -14.828 609 HE21 GLN 82 1HE2 GLN 82 19.103 4.869 -16.930 610 HE22 GLN 82 2HE2 GLN 82 20.685 4.242 -17.224 611 H SER 83 H SER 83 15.729 3.307 -10.824 612 HA SER 83 HA SER 83 15.048 0.924 -12.235 613 HB2 SER 83 1HB SER 83 16.631 0.714 -9.686 614 HB3 SER 83 2HB SER 83 15.482 -0.545 -10.139 615 HG SER 83 HG SER 83 17.950 -0.293 -10.965 616 H LEU 84 H LEU 84 13.120 -0.040 -11.466 617 HA LEU 84 HA LEU 84 11.767 1.371 -9.275 618 HB2 LEU 84 1HB LEU 84 10.547 0.753 -11.962 619 HB3 LEU 84 2HB LEU 84 9.703 1.454 -10.583 620 HG LEU 84 HG LEU 84 12.072 2.885 -11.691 621 HD11 LEU 84 1HD1 LEU 84 9.318 2.959 -12.914 622 HD12 LEU 84 2HD1 LEU 84 10.770 2.304 -13.670 623 HD13 LEU 84 3HD1 LEU 84 10.660 4.029 -13.317 624 HD21 LEU 84 1HD2 LEU 84 11.299 4.046 -9.890 625 HD22 LEU 84 2HD2 LEU 84 9.638 3.492 -10.103 626 HD23 LEU 84 3HD2 LEU 84 10.285 4.762 -11.143 627 H LEU 85 H LEU 85 12.483 -0.665 -8.219 628 HA LEU 85 HA LEU 85 11.875 -3.221 -8.757 629 HB2 LEU 85 1HB LEU 85 11.235 -1.980 -6.090 630 HB3 LEU 85 2HB LEU 85 11.680 -3.655 -6.409 631 HG LEU 85 HG LEU 85 13.499 -1.265 -6.709 632 HD11 LEU 85 1HD1 LEU 85 12.718 -2.239 -4.367 633 HD12 LEU 85 2HD1 LEU 85 14.373 -1.706 -4.660 634 HD13 LEU 85 3HD1 LEU 85 13.974 -3.423 -4.732 635 HD21 LEU 85 1HD2 LEU 85 15.199 -2.721 -7.328 636 HD22 LEU 85 2HD2 LEU 85 13.807 -3.331 -8.224 637 HD23 LEU 85 3HD2 LEU 85 14.331 -4.142 -6.747 638 HA PRO 86 HA PRO 86 7.544 -3.755 -9.253 639 HB2 PRO 86 1HB PRO 86 7.239 -6.294 -8.342 640 HB3 PRO 86 2HB PRO 86 8.011 -5.914 -9.886 641 HG2 PRO 86 1HG PRO 86 9.270 -6.554 -7.246 642 HG3 PRO 86 2HG PRO 86 9.718 -7.120 -8.866 643 HD2 PRO 86 1HD PRO 86 11.038 -5.121 -7.604 644 HD3 PRO 86 2HD PRO 86 10.851 -5.177 -9.369 645 HA PRO 87 HA PRO 87 6.117 -2.579 -5.154 646 HB2 PRO 87 1HB PRO 87 3.701 -1.669 -5.996 647 HB3 PRO 87 2HB PRO 87 5.190 -0.728 -6.151 648 HG2 PRO 87 1HG PRO 87 3.772 -2.382 -8.204 649 HG3 PRO 87 2HG PRO 87 4.508 -0.778 -8.374 650 HD2 PRO 87 1HD PRO 87 5.738 -3.041 -9.209 651 HD3 PRO 87 2HD PRO 87 6.635 -1.639 -8.592 652 H VAL 88 H VAL 88 4.015 -3.009 -3.948 653 HA VAL 88 HA VAL 88 2.983 -5.675 -4.672 654 HB VAL 88 HB VAL 88 2.543 -5.800 -2.102 655 HG11 VAL 88 1HG1 VAL 88 5.401 -6.130 -2.385 656 HG12 VAL 88 2HG1 VAL 88 4.141 -7.348 -2.179 657 HG13 VAL 88 3HG1 VAL 88 4.536 -6.750 -3.791 658 HG21 VAL 88 1HG2 VAL 88 3.198 -3.473 -1.653 659 HG22 VAL 88 2HG2 VAL 88 4.181 -4.624 -0.748 660 HG23 VAL 88 3HG2 VAL 88 4.838 -3.843 -2.186 661 H SER 89 H SER 89 0.901 -5.682 -5.166 662 HA SER 89 HA SER 89 -0.795 -3.478 -4.247 663 HB2 SER 89 1HB SER 89 -2.250 -3.979 -6.053 664 HB3 SER 89 2HB SER 89 -0.622 -4.140 -6.711 665 HG SER 89 HG SER 89 -2.247 -5.887 -7.128 666 H THR 90 H THR 90 -2.465 -3.750 -2.885 667 HA THR 90 HA THR 90 -3.398 -6.454 -2.269 668 HB THR 90 HB THR 90 -1.613 -5.867 -0.613 669 HG1 THR 90 1HG THR 90 -4.080 -5.947 0.752 670 HG21 THR 90 1HG2 THR 90 -3.470 -4.003 0.754 671 HG22 THR 90 2HG2 THR 90 -2.577 -3.375 -0.632 672 HG23 THR 90 3HG2 THR 90 -1.708 -4.045 0.749 673 H SER 91 H SER 91 -5.535 -6.575 -1.781 674 HA SER 91 HA SER 91 -7.053 -4.079 -1.975 675 HB2 SER 91 1HB SER 91 -9.014 -5.708 -2.250 676 HB3 SER 91 2HB SER 91 -7.826 -5.664 -3.553 677 HG SER 91 HG SER 91 -8.371 -7.807 -2.908 678 H PHE 92 H PHE 92 -8.058 -3.216 -0.281 679 HA PHE 92 HA PHE 92 -8.625 -4.912 2.051 680 HB2 PHE 92 1HB PHE 92 -7.831 -3.204 3.568 681 HB3 PHE 92 2HB PHE 92 -6.543 -3.600 2.436 682 HD1 PHE 92 1HD PHE 92 -6.113 -2.050 0.504 683 HD2 PHE 92 2HD PHE 92 -8.645 -1.017 3.766 684 HE1 PHE 92 1HE PHE 92 -5.906 0.328 -0.093 685 HE2 PHE 92 2HE PHE 92 -8.443 1.362 3.174 686 HZ PHE 92 HZ PHE 92 -7.072 2.038 1.242 687 H THR 93 H THR 93 -10.552 -4.560 3.025 688 HA THR 93 HA THR 93 -12.267 -2.488 1.836 689 HB THR 93 HB THR 93 -13.133 -4.944 3.372 690 HG1 THR 93 1HG THR 93 -12.064 -5.233 1.216 691 HG21 THR 93 1HG2 THR 93 -15.285 -4.315 3.023 692 HG22 THR 93 2HG2 THR 93 -14.924 -3.554 1.473 693 HG23 THR 93 3HG2 THR 93 -14.569 -2.705 2.978 694 H THR 94 H THR 94 -13.239 -0.966 3.069 695 HA THR 94 HA THR 94 -12.282 -0.637 5.777 696 HB THR 94 HB THR 94 -13.547 1.508 5.717 697 HG1 THR 94 1HG THR 94 -14.806 1.993 4.037 698 HG21 THR 94 1HG2 THR 94 -11.530 0.812 3.618 699 HG22 THR 94 2HG2 THR 94 -11.344 1.804 5.064 700 HG23 THR 94 3HG2 THR 94 -12.221 2.433 3.670 701 H GLY 95 H GLY 95 -13.768 -0.087 7.557 702 HA2 GLY 95 1HA GLY 95 -15.802 -2.084 7.809 703 HA3 GLY 95 2HA GLY 95 -15.388 -0.863 9.003 704 H GLY 96 H GLY 96 -17.581 -0.480 9.469 705 HA2 GLY 96 1HA GLY 96 -18.907 1.190 7.439 706 HA3 GLY 96 2HA GLY 96 -19.806 -0.093 8.235 707 H LEU 97 H LEU 97 -19.699 3.048 8.195 708 HA LEU 97 HA LEU 97 -19.164 3.980 10.755 709 HB2 LEU 97 1HB LEU 97 -21.242 4.893 8.774 710 HB3 LEU 97 2HB LEU 97 -20.797 5.786 10.227 711 HG LEU 97 HG LEU 97 -18.856 5.124 8.019 712 HD11 LEU 97 1HD1 LEU 97 -20.530 7.591 8.448 713 HD12 LEU 97 2HD1 LEU 97 -20.542 6.515 7.051 714 HD13 LEU 97 3HD1 LEU 97 -19.128 7.516 7.381 715 HD21 LEU 97 1HD2 LEU 97 -17.359 6.530 9.094 716 HD22 LEU 97 2HD2 LEU 97 -18.126 5.683 10.438 717 HD23 LEU 97 3HD2 LEU 97 -18.622 7.327 10.032 718 H ARG 98 H ARG 98 -20.276 4.077 12.650 719 HA ARG 98 HA ARG 98 -23.045 3.335 12.838 720 HB2 ARG 98 1HB ARG 98 -21.518 1.177 12.746 721 HB3 ARG 98 2HB ARG 98 -21.246 1.570 14.438 722 HG2 ARG 98 1HG ARG 98 -23.034 0.196 14.666 723 HG3 ARG 98 2HG ARG 98 -23.887 1.725 14.448 724 HD2 ARG 98 1HD ARG 98 -23.186 0.091 12.053 725 HD3 ARG 98 2HD ARG 98 -24.552 -0.397 13.056 726 HE ARG 98 HE ARG 98 -25.070 2.200 12.620 727 HH11 ARG 98 2HH1 ARG 98 -24.196 -0.399 10.474 728 HH12 ARG 98 1HH1 ARG 98 -25.059 0.254 9.121 729 HH21 ARG 98 2HH2 ARG 98 -26.211 3.069 10.846 730 HH22 ARG 98 1HH2 ARG 98 -26.204 2.227 9.333 731 H ILE 99 H ILE 99 -23.976 4.114 14.673 732 HA ILE 99 HA ILE 99 -22.446 5.942 16.256 733 HB ILE 99 HB ILE 99 -25.314 5.031 16.490 734 HG12 ILE 99 1HG1 ILE 99 -25.466 7.612 15.815 735 HG13 ILE 99 2HG1 ILE 99 -23.897 7.253 15.103 736 HG21 ILE 99 1HG2 ILE 99 -23.993 7.325 17.929 737 HG22 ILE 99 2HG2 ILE 99 -25.663 6.785 18.087 738 HG23 ILE 99 3HG2 ILE 99 -24.348 5.761 18.662 739 HD11 ILE 99 1HD1 ILE 99 -25.877 7.034 13.578 740 HD12 ILE 99 2HD1 ILE 99 -24.826 5.620 13.670 741 HD13 ILE 99 3HD1 ILE 99 -26.362 5.636 14.536 742 H SER 100 H SER 100 -20.927 4.796 17.427 743 HA SER 100 HA SER 100 -21.183 2.448 18.804 744 HB2 SER 100 1HB SER 100 -19.042 3.539 18.658 745 HB3 SER 100 2HB SER 100 -19.628 4.926 19.576 746 HG SER 100 HG SER 100 -18.688 3.783 21.122 747 H GLY 101 H GLY 101 -22.112 1.751 20.650 748 HA2 GLY 101 1HA GLY 101 -24.045 3.491 21.915 749 HA3 GLY 101 2HA GLY 101 -23.803 1.782 22.245 750 HA PRO 102 HA PRO 102 -21.814 4.684 25.493 751 HB2 PRO 102 1HB PRO 102 -23.768 4.658 27.378 752 HB3 PRO 102 2HB PRO 102 -23.672 5.887 26.111 753 HG2 PRO 102 1HG PRO 102 -25.379 3.431 26.242 754 HG3 PRO 102 2HG PRO 102 -25.814 5.069 25.722 755 HD2 PRO 102 1HD PRO 102 -25.264 3.081 23.968 756 HD3 PRO 102 2HD PRO 102 -24.893 4.784 23.628 757 H SER 103 H SER 103 -20.372 3.018 25.897 758 HA SER 103 HA SER 103 -21.098 1.263 28.101 759 HB2 SER 103 1HB SER 103 -20.283 0.289 25.375 760 HB3 SER 103 2HB SER 103 -19.920 -0.663 26.815 761 HG SER 103 HG SER 103 -22.522 0.293 26.527 762 H SER 104 H SER 104 -19.475 1.044 29.517 763 HA SER 104 HA SER 104 -16.876 2.188 28.781 764 HB2 SER 104 1HB SER 104 -17.740 3.269 30.703 765 HB3 SER 104 2HB SER 104 -18.248 1.746 31.431 766 HG SER 104 HG SER 104 -15.544 2.437 30.929 767 H GLY 105 H GLY 105 -15.022 1.031 28.820 768 HA2 GLY 105 1HA GLY 105 -13.719 -0.802 29.778 769 HA3 GLY 105 2HA GLY 105 -15.191 -1.761 29.767 Start of MODEL 12 1 H1 GLY 1 H GLY 1 29.975 -2.935 -14.284 2 HA2 GLY 1 1HA GLY 1 32.657 -2.224 -14.670 3 HA3 GLY 1 2HA GLY 1 32.071 -1.357 -13.258 4 H SER 2 H SER 2 32.900 -2.350 -11.536 5 HA SER 2 HA SER 2 33.589 -5.078 -11.419 6 HB2 SER 2 1HB SER 2 33.082 -3.125 -9.161 7 HB3 SER 2 2HB SER 2 33.874 -4.692 -8.991 8 HG SER 2 HG SER 2 35.249 -3.651 -10.828 9 H SER 3 H SER 3 30.929 -3.351 -9.784 10 HA SER 3 HA SER 3 29.592 -5.910 -9.324 11 HB2 SER 3 1HB SER 3 29.903 -4.067 -7.530 12 HB3 SER 3 2HB SER 3 28.587 -3.240 -8.363 13 HG SER 3 HG SER 3 28.211 -5.927 -7.737 14 H GLY 4 H GLY 4 27.192 -5.964 -9.639 15 HA2 GLY 4 1HA GLY 4 26.272 -4.268 -11.851 16 HA3 GLY 4 2HA GLY 4 26.264 -6.011 -12.075 17 H SER 5 H SER 5 24.891 -7.296 -10.708 18 HA SER 5 HA SER 5 22.498 -5.806 -9.891 19 HB2 SER 5 1HB SER 5 22.940 -8.664 -10.740 20 HB3 SER 5 2HB SER 5 21.454 -8.154 -9.941 21 HG SER 5 HG SER 5 20.822 -7.278 -11.739 22 H SER 6 H SER 6 23.064 -5.175 -7.824 23 HA SER 6 HA SER 6 24.217 -6.900 -5.896 24 HB2 SER 6 1HB SER 6 22.680 -4.312 -5.596 25 HB3 SER 6 2HB SER 6 23.487 -5.135 -4.261 26 HG SER 6 HG SER 6 24.993 -4.646 -6.550 27 H GLY 7 H GLY 7 23.037 -7.249 -3.718 28 HA2 GLY 7 1HA GLY 7 20.739 -8.892 -4.290 29 HA3 GLY 7 2HA GLY 7 21.522 -8.697 -2.729 30 H LEU 8 H LEU 8 20.066 -6.277 -4.883 31 HA LEU 8 HA LEU 8 18.783 -4.937 -2.740 32 HB2 LEU 8 1HB LEU 8 19.482 -4.166 -5.171 33 HB3 LEU 8 2HB LEU 8 17.819 -4.622 -5.537 34 HG LEU 8 HG LEU 8 18.557 -2.645 -3.386 35 HD11 LEU 8 1HD1 LEU 8 18.636 -2.332 -6.240 36 HD12 LEU 8 2HD1 LEU 8 19.038 -1.173 -4.973 37 HD13 LEU 8 3HD1 LEU 8 17.375 -1.314 -5.543 38 HD21 LEU 8 1HD2 LEU 8 16.209 -3.989 -3.864 39 HD22 LEU 8 2HD2 LEU 8 15.967 -2.460 -4.709 40 HD23 LEU 8 3HD2 LEU 8 16.366 -2.465 -2.991 41 H GLU 9 H GLU 9 16.945 -5.407 -1.743 42 HA GLU 9 HA GLU 9 15.060 -7.237 -3.073 43 HB2 GLU 9 1HB GLU 9 15.845 -6.872 -0.205 44 HB3 GLU 9 2HB GLU 9 14.256 -7.514 -0.595 45 HG2 GLU 9 1HG GLU 9 15.523 -9.205 -2.052 46 HG3 GLU 9 2HG GLU 9 16.947 -8.698 -1.146 47 H ALA 10 H ALA 10 12.774 -6.911 -2.632 48 HA ALA 10 HA ALA 10 12.135 -4.053 -2.466 49 HB1 ALA 10 1HB ALA 10 10.861 -4.469 -4.233 50 HB2 ALA 10 2HB ALA 10 11.210 -6.195 -4.119 51 HB3 ALA 10 3HB ALA 10 9.851 -5.510 -3.229 52 HA PRO 11 HA PRO 11 9.839 -4.328 1.264 53 HB2 PRO 11 1HB PRO 11 7.512 -3.043 0.714 54 HB3 PRO 11 2HB PRO 11 9.058 -2.202 0.879 55 HG2 PRO 11 1HG PRO 11 7.615 -3.041 -1.606 56 HG3 PRO 11 2HG PRO 11 8.450 -1.516 -1.258 57 HD2 PRO 11 1HD PRO 11 9.571 -3.487 -2.738 58 HD3 PRO 11 2HD PRO 11 10.528 -2.407 -1.704 59 H ARG 12 H ARG 12 8.646 -5.818 2.298 60 HA ARG 12 HA ARG 12 6.529 -7.211 0.806 61 HB2 ARG 12 1HB ARG 12 7.244 -9.326 1.931 62 HB3 ARG 12 2HB ARG 12 8.407 -8.702 0.770 63 HG2 ARG 12 1HG ARG 12 9.797 -7.852 2.532 64 HG3 ARG 12 2HG ARG 12 8.589 -8.282 3.744 65 HD2 ARG 12 1HD ARG 12 10.408 -9.912 3.682 66 HD3 ARG 12 2HD ARG 12 8.875 -10.642 3.209 67 HE ARG 12 HE ARG 12 10.073 -9.850 0.864 68 HH11 ARG 12 2HH1 ARG 12 10.870 -11.964 3.513 69 HH12 ARG 12 1HH1 ARG 12 11.826 -13.034 2.541 70 HH21 ARG 12 2HH2 ARG 12 11.328 -11.252 -0.425 71 HH22 ARG 12 1HH2 ARG 12 12.086 -12.628 0.302 72 H ASP 13 H ASP 13 5.358 -8.751 2.520 73 HA ASP 13 HA ASP 13 3.938 -8.860 4.294 74 HB2 ASP 13 1HB ASP 13 6.260 -8.561 5.458 75 HB3 ASP 13 2HB ASP 13 5.663 -6.946 5.829 76 H LEU 14 H LEU 14 3.243 -7.071 2.338 77 HA LEU 14 HA LEU 14 2.485 -4.569 3.608 78 HB2 LEU 14 1HB LEU 14 3.272 -4.489 1.325 79 HB3 LEU 14 2HB LEU 14 2.030 -5.636 0.826 80 HG LEU 14 HG LEU 14 0.331 -3.881 1.506 81 HD11 LEU 14 1HD1 LEU 14 2.138 -2.607 2.825 82 HD12 LEU 14 2HD1 LEU 14 0.967 -1.681 1.888 83 HD13 LEU 14 3HD1 LEU 14 2.595 -1.937 1.259 84 HD21 LEU 14 1HD2 LEU 14 0.226 -3.540 -0.683 85 HD22 LEU 14 2HD2 LEU 14 1.844 -4.222 -0.849 86 HD23 LEU 14 3HD2 LEU 14 1.638 -2.486 -0.616 87 H GLU 15 H GLU 15 0.927 -5.019 5.111 88 HA GLU 15 HA GLU 15 -1.594 -6.122 4.060 89 HB2 GLU 15 1HB GLU 15 -0.569 -7.739 5.571 90 HB3 GLU 15 2HB GLU 15 -0.423 -6.510 6.819 91 HG2 GLU 15 1HG GLU 15 -2.283 -7.807 7.412 92 HG3 GLU 15 2HG GLU 15 -2.937 -6.312 6.746 93 H ALA 16 H ALA 16 -3.530 -5.266 4.956 94 HA ALA 16 HA ALA 16 -3.286 -2.471 5.675 95 HB1 ALA 16 1HB ALA 16 -5.943 -2.911 5.702 96 HB2 ALA 16 2HB ALA 16 -5.022 -2.558 4.239 97 HB3 ALA 16 3HB ALA 16 -5.418 -4.227 4.650 98 H LYS 17 H LYS 17 -3.403 -1.683 7.671 99 HA LYS 17 HA LYS 17 -4.590 -3.364 9.779 100 HB2 LYS 17 1HB LYS 17 -2.145 -1.597 9.981 101 HB3 LYS 17 2HB LYS 17 -2.910 -2.409 11.340 102 HG2 LYS 17 1HG LYS 17 -2.482 -4.580 10.144 103 HG3 LYS 17 2HG LYS 17 -1.495 -3.663 9.004 104 HD2 LYS 17 1HD LYS 17 -0.007 -2.974 10.761 105 HD3 LYS 17 2HD LYS 17 -1.053 -3.692 11.988 106 HE2 LYS 17 1HE LYS 17 -0.641 -5.912 10.999 107 HE3 LYS 17 2HE LYS 17 0.449 -5.172 9.828 108 HZ1 LYS 17 1HZ LYS 17 0.806 -5.214 12.776 109 HZ2 LYS 17 2HZ LYS 17 1.828 -4.415 11.691 110 HZ3 LYS 17 3HZ LYS 17 1.698 -6.101 11.645 111 H GLU 18 H GLU 18 -5.383 -2.155 11.660 112 HA GLU 18 HA GLU 18 -6.880 -0.632 12.472 113 HB2 GLU 18 1HB GLU 18 -4.858 1.277 11.286 114 HB3 GLU 18 2HB GLU 18 -6.060 1.688 12.500 115 HG2 GLU 18 1HG GLU 18 -4.144 -0.520 13.054 116 HG3 GLU 18 2HG GLU 18 -3.594 1.150 13.175 117 H VAL 19 H VAL 19 -7.750 -1.629 10.074 118 HA VAL 19 HA VAL 19 -8.413 0.404 8.191 119 HB VAL 19 HB VAL 19 -9.695 -2.302 8.592 120 HG11 VAL 19 1HG1 VAL 19 -11.179 -1.579 7.096 121 HG12 VAL 19 2HG1 VAL 19 -10.261 -0.103 6.793 122 HG13 VAL 19 3HG1 VAL 19 -9.865 -1.584 5.921 123 HG21 VAL 19 1HG2 VAL 19 -8.234 -2.914 6.628 124 HG22 VAL 19 2HG2 VAL 19 -7.367 -1.404 6.907 125 HG23 VAL 19 3HG2 VAL 19 -7.390 -2.651 8.154 126 H THR 20 H THR 20 -10.051 1.805 8.179 127 HA THR 20 HA THR 20 -12.416 1.293 9.822 128 HB THR 20 HB THR 20 -12.221 3.879 10.397 129 HG1 THR 20 1HG THR 20 -10.013 3.683 9.233 130 HG21 THR 20 1HG2 THR 20 -11.580 1.426 11.755 131 HG22 THR 20 2HG2 THR 20 -12.294 2.904 12.400 132 HG23 THR 20 3HG2 THR 20 -10.541 2.729 12.331 133 HA PRO 21 HA PRO 21 -14.659 3.068 6.493 134 HB2 PRO 21 1HB PRO 21 -16.678 4.351 7.777 135 HB3 PRO 21 2HB PRO 21 -16.579 2.590 7.661 136 HG2 PRO 21 1HG PRO 21 -15.803 4.386 9.928 137 HG3 PRO 21 2HG PRO 21 -16.671 2.840 9.971 138 HD2 PRO 21 1HD PRO 21 -14.033 3.046 10.544 139 HD3 PRO 21 2HD PRO 21 -14.735 1.604 9.783 140 H ARG 22 H ARG 22 -12.917 4.969 8.610 141 HA ARG 22 HA ARG 22 -13.551 7.422 7.105 142 HB2 ARG 22 1HB ARG 22 -12.781 6.983 9.967 143 HB3 ARG 22 2HB ARG 22 -12.397 8.510 9.185 144 HG2 ARG 22 1HG ARG 22 -14.615 9.104 8.953 145 HG3 ARG 22 2HG ARG 22 -15.179 7.435 9.069 146 HD2 ARG 22 1HD ARG 22 -14.504 7.414 11.447 147 HD3 ARG 22 2HD ARG 22 -14.046 9.111 11.307 148 HE ARG 22 HE ARG 22 -16.600 9.162 10.506 149 HH11 ARG 22 2HH1 ARG 22 -15.068 7.690 13.263 150 HH12 ARG 22 1HH1 ARG 22 -16.460 7.843 14.283 151 HH21 ARG 22 2HH2 ARG 22 -18.440 9.369 11.838 152 HH22 ARG 22 1HH2 ARG 22 -18.378 8.797 13.471 153 H THR 23 H THR 23 -10.973 5.481 8.540 154 HA THR 23 HA THR 23 -9.114 6.611 6.574 155 HB THR 23 HB THR 23 -7.319 6.756 8.243 156 HG1 THR 23 1HG THR 23 -7.623 5.770 10.082 157 HG21 THR 23 1HG2 THR 23 -9.178 8.423 9.687 158 HG22 THR 23 2HG2 THR 23 -9.482 8.508 7.952 159 HG23 THR 23 3HG2 THR 23 -7.881 8.887 8.587 160 H ALA 24 H ALA 24 -6.879 5.301 6.978 161 HA ALA 24 HA ALA 24 -7.197 2.552 7.687 162 HB1 ALA 24 1HB ALA 24 -8.360 2.311 5.643 163 HB2 ALA 24 2HB ALA 24 -7.183 3.294 4.772 164 HB3 ALA 24 3HB ALA 24 -6.733 1.693 5.357 165 H LEU 25 H LEU 25 -5.280 1.912 8.405 166 HA LEU 25 HA LEU 25 -2.887 3.347 7.502 167 HB2 LEU 25 1HB LEU 25 -3.218 3.403 9.873 168 HB3 LEU 25 2HB LEU 25 -3.429 1.655 9.933 169 HG LEU 25 HG LEU 25 -0.951 1.704 8.979 170 HD11 LEU 25 1HD1 LEU 25 -1.303 4.368 9.243 171 HD12 LEU 25 2HD1 LEU 25 0.262 3.562 9.339 172 HD13 LEU 25 3HD1 LEU 25 -0.609 3.975 10.816 173 HD21 LEU 25 1HD2 LEU 25 -2.047 0.894 11.244 174 HD22 LEU 25 2HD2 LEU 25 -1.170 2.283 11.886 175 HD23 LEU 25 3HD2 LEU 25 -0.297 0.998 11.048 176 H LEU 26 H LEU 26 -1.413 2.387 6.262 177 HA LEU 26 HA LEU 26 -1.555 -0.539 5.949 178 HB2 LEU 26 1HB LEU 26 -1.074 1.671 4.009 179 HB3 LEU 26 2HB LEU 26 -0.319 0.106 3.720 180 HG LEU 26 HG LEU 26 -3.271 0.296 4.184 181 HD11 LEU 26 1HD1 LEU 26 -3.307 1.737 2.433 182 HD12 LEU 26 2HD1 LEU 26 -3.198 0.229 1.526 183 HD13 LEU 26 3HD1 LEU 26 -1.750 1.195 1.807 184 HD21 LEU 26 1HD2 LEU 26 -1.499 -1.792 3.768 185 HD22 LEU 26 2HD2 LEU 26 -2.260 -1.554 2.194 186 HD23 LEU 26 3HD2 LEU 26 -3.255 -1.858 3.619 187 H THR 27 H THR 27 0.116 -1.607 6.749 188 HA THR 27 HA THR 27 2.677 -0.194 7.071 189 HB THR 27 HB THR 27 3.235 -1.801 8.805 190 HG1 THR 27 1HG THR 27 2.283 -3.685 8.542 191 HG21 THR 27 1HG2 THR 27 0.420 -0.980 9.430 192 HG22 THR 27 2HG2 THR 27 1.682 0.233 9.217 193 HG23 THR 27 3HG2 THR 27 1.836 -0.988 10.479 194 H TRP 28 H TRP 28 4.606 -1.162 6.434 195 HA TRP 28 HA TRP 28 4.517 -3.731 5.075 196 HB2 TRP 28 1HB TRP 28 5.345 -2.943 2.981 197 HB3 TRP 28 2HB TRP 28 3.947 -1.946 3.377 198 HD1 TRP 28 HD TRP 28 7.805 -1.764 3.375 199 HE1 TRP 28 1HE TRP 28 8.490 0.707 3.147 200 HE3 TRP 28 3HE TRP 28 3.176 0.389 3.641 201 HZ2 TRP 28 2HZ TRP 28 7.234 3.234 3.089 202 HZ3 TRP 28 3HZ TRP 28 3.004 2.839 3.491 203 HH2 TRP 28 HH TRP 28 4.992 4.230 3.222 204 H THR 29 H THR 29 6.714 -4.461 4.425 205 HA THR 29 HA THR 29 8.646 -3.625 6.458 206 HB THR 29 HB THR 29 8.625 -6.058 4.662 207 HG1 THR 29 1HG THR 29 8.408 -6.112 7.469 208 HG21 THR 29 1HG2 THR 29 10.865 -4.959 5.640 209 HG22 THR 29 2HG2 THR 29 10.640 -6.703 5.498 210 HG23 THR 29 3HG2 THR 29 10.375 -5.902 7.047 211 H GLU 30 H GLU 30 10.562 -2.694 5.996 212 HA GLU 30 HA GLU 30 11.016 -1.876 3.236 213 HB2 GLU 30 1HB GLU 30 11.938 -0.938 5.908 214 HB3 GLU 30 2HB GLU 30 12.986 -0.633 4.529 215 HG2 GLU 30 1HG GLU 30 10.745 0.266 3.469 216 HG3 GLU 30 2HG GLU 30 10.308 0.477 5.164 217 HA PRO 31 HA PRO 31 14.154 -4.878 2.496 218 HB2 PRO 31 1HB PRO 31 15.445 -3.627 0.462 219 HB3 PRO 31 2HB PRO 31 13.867 -4.399 0.267 220 HG2 PRO 31 1HG PRO 31 14.525 -1.506 0.669 221 HG3 PRO 31 2HG PRO 31 13.355 -2.244 -0.441 222 HD2 PRO 31 1HD PRO 31 12.623 -1.121 1.912 223 HD3 PRO 31 2HD PRO 31 11.766 -2.508 1.209 224 HA PRO 32 HA PRO 32 17.924 -3.746 4.455 225 HB2 PRO 32 1HB PRO 32 19.807 -5.010 2.963 226 HB3 PRO 32 2HB PRO 32 18.694 -5.869 4.034 227 HG2 PRO 32 1HG PRO 32 18.546 -5.476 1.070 228 HG3 PRO 32 2HG PRO 32 18.227 -6.937 2.022 229 HD2 PRO 32 1HD PRO 32 16.245 -5.351 1.078 230 HD3 PRO 32 2HD PRO 32 16.107 -6.245 2.605 231 H VAL 33 H VAL 33 17.336 -2.778 1.242 232 HA VAL 33 HA VAL 33 19.603 -0.894 1.347 233 HB VAL 33 HB VAL 33 18.236 -2.011 -1.105 234 HG11 VAL 33 1HG1 VAL 33 18.938 -0.125 -2.074 235 HG12 VAL 33 2HG1 VAL 33 19.933 0.319 -0.686 236 HG13 VAL 33 3HG1 VAL 33 20.564 -0.786 -1.907 237 HG21 VAL 33 1HG2 VAL 33 20.188 -3.173 0.472 238 HG22 VAL 33 2HG2 VAL 33 19.811 -3.590 -1.200 239 HG23 VAL 33 3HG2 VAL 33 21.096 -2.435 -0.848 240 H ARG 34 H ARG 34 18.308 0.604 2.530 241 HA ARG 34 HA ARG 34 15.831 1.566 2.081 242 HB2 ARG 34 1HB ARG 34 17.780 2.396 3.655 243 HB3 ARG 34 2HB ARG 34 17.998 3.600 2.391 244 HG2 ARG 34 1HG ARG 34 15.585 4.193 2.651 245 HG3 ARG 34 2HG ARG 34 15.537 3.118 4.050 246 HD2 ARG 34 1HD ARG 34 17.649 4.563 4.751 247 HD3 ARG 34 2HD ARG 34 16.863 5.754 3.714 248 HE ARG 34 HE ARG 34 14.884 4.846 5.373 249 HH11 ARG 34 2HH1 ARG 34 18.010 6.315 5.805 250 HH12 ARG 34 1HH1 ARG 34 17.583 7.096 7.292 251 HH21 ARG 34 2HH2 ARG 34 14.309 5.869 7.329 252 HH22 ARG 34 1HH2 ARG 34 15.477 6.840 8.158 253 HA PRO 35 HA PRO 35 15.981 2.803 -2.210 254 HB2 PRO 35 1HB PRO 35 13.366 3.514 -2.363 255 HB3 PRO 35 2HB PRO 35 13.908 1.832 -2.409 256 HG2 PRO 35 1HG PRO 35 12.807 3.406 -0.113 257 HG3 PRO 35 2HG PRO 35 12.449 1.739 -0.601 258 HD2 PRO 35 1HD PRO 35 14.147 2.332 1.424 259 HD3 PRO 35 2HD PRO 35 14.359 0.907 0.387 260 H ALA 36 H ALA 36 15.072 4.798 -3.408 261 HA ALA 36 HA ALA 36 16.093 7.128 -2.077 262 HB1 ALA 36 1HB ALA 36 16.030 6.376 -4.661 263 HB2 ALA 36 2HB ALA 36 14.649 7.473 -4.623 264 HB3 ALA 36 3HB ALA 36 16.244 8.045 -4.131 265 H GLY 37 H GLY 37 12.906 6.026 -3.175 266 HA2 GLY 37 1HA GLY 37 11.629 7.689 -1.182 267 HA3 GLY 37 2HA GLY 37 11.312 8.181 -2.839 268 H TYR 38 H TYR 38 9.074 7.692 -1.919 269 HA TYR 38 HA TYR 38 8.374 4.970 -2.742 270 HB2 TYR 38 1HB TYR 38 7.813 6.226 -0.086 271 HB3 TYR 38 2HB TYR 38 6.623 5.128 -0.776 272 HD1 TYR 38 2HD TYR 38 7.804 2.889 -1.781 273 HD2 TYR 38 1HD TYR 38 9.290 5.286 1.405 274 HE1 TYR 38 2HE TYR 38 9.084 0.965 -0.938 275 HE2 TYR 38 1HE TYR 38 10.574 3.369 2.256 276 HH TYR 38 HH TYR 38 10.026 0.352 1.601 277 H LEU 39 H LEU 39 6.342 4.759 -3.666 278 HA LEU 39 HA LEU 39 4.829 7.257 -4.046 279 HB2 LEU 39 1HB LEU 39 6.173 6.588 -6.042 280 HB3 LEU 39 2HB LEU 39 5.221 5.107 -6.121 281 HG LEU 39 HG LEU 39 3.793 7.722 -6.188 282 HD11 LEU 39 1HD1 LEU 39 5.656 7.997 -7.766 283 HD12 LEU 39 2HD1 LEU 39 4.097 7.905 -8.583 284 HD13 LEU 39 3HD1 LEU 39 5.173 6.508 -8.579 285 HD21 LEU 39 1HD2 LEU 39 3.262 4.928 -6.728 286 HD22 LEU 39 2HD2 LEU 39 2.804 5.956 -8.086 287 HD23 LEU 39 3HD2 LEU 39 2.137 6.265 -6.483 288 H LEU 40 H LEU 40 3.033 6.976 -2.879 289 HA LEU 40 HA LEU 40 1.696 4.365 -2.925 290 HB2 LEU 40 1HB LEU 40 2.271 5.504 -0.749 291 HB3 LEU 40 2HB LEU 40 1.062 6.719 -1.160 292 HG LEU 40 HG LEU 40 -0.580 4.743 -1.292 293 HD11 LEU 40 1HD1 LEU 40 0.788 3.238 0.715 294 HD12 LEU 40 2HD1 LEU 40 1.788 3.331 -0.734 295 HD13 LEU 40 3HD1 LEU 40 0.145 2.700 -0.836 296 HD21 LEU 40 1HD2 LEU 40 -0.055 6.538 0.622 297 HD22 LEU 40 2HD2 LEU 40 0.319 5.059 1.507 298 HD23 LEU 40 3HD2 LEU 40 -1.279 5.280 0.792 299 H SER 41 H SER 41 0.178 4.141 -4.421 300 HA SER 41 HA SER 41 -1.584 6.435 -4.982 301 HB2 SER 41 1HB SER 41 -0.070 6.003 -6.882 302 HB3 SER 41 2HB SER 41 -0.649 4.339 -6.959 303 HG SER 41 HG SER 41 -1.675 5.876 -8.434 304 H PHE 42 H PHE 42 -3.445 5.972 -3.993 305 HA PHE 42 HA PHE 42 -4.497 3.232 -4.189 306 HB2 PHE 42 1HB PHE 42 -5.720 3.613 -2.195 307 HB3 PHE 42 2HB PHE 42 -4.118 4.281 -1.900 308 HD1 PHE 42 1HD PHE 42 -7.627 5.116 -2.636 309 HD2 PHE 42 2HD PHE 42 -3.804 6.597 -1.492 310 HE1 PHE 42 1HE PHE 42 -8.646 7.274 -2.036 311 HE2 PHE 42 2HE PHE 42 -4.816 8.756 -0.890 312 HZ PHE 42 HZ PHE 42 -7.240 9.097 -1.160 313 H HIS 43 H HIS 43 -6.087 2.904 -5.582 314 HA HIS 43 HA HIS 43 -7.732 5.200 -6.411 315 HB2 HIS 43 1HB HIS 43 -7.851 4.341 -8.541 316 HB3 HIS 43 2HB HIS 43 -6.266 3.741 -8.061 317 HD1 HIS 43 1HD HIS 43 -7.294 1.334 -6.328 318 HD2 HIS 43 2HD HIS 43 -8.568 2.254 -10.174 319 HE1 HIS 43 1HE HIS 43 -8.180 -0.820 -7.276 320 HE2 HIS 43 2HE HIS 43 -8.866 -0.258 -9.633 321 H THR 44 H THR 44 -9.998 4.756 -6.915 322 HA THR 44 HA THR 44 -11.101 2.675 -5.143 323 HB THR 44 HB THR 44 -11.977 4.536 -4.162 324 HG1 THR 44 1HG THR 44 -14.069 5.044 -5.389 325 HG21 THR 44 1HG2 THR 44 -10.859 6.197 -5.469 326 HG22 THR 44 2HG2 THR 44 -12.571 6.618 -5.435 327 HG23 THR 44 3HG2 THR 44 -11.876 5.862 -6.869 328 HA PRO 45 HA PRO 45 -13.090 0.764 -8.562 329 HB2 PRO 45 1HB PRO 45 -15.319 -0.219 -7.365 330 HB3 PRO 45 2HB PRO 45 -13.710 -0.902 -7.107 331 HG2 PRO 45 1HG PRO 45 -15.260 0.996 -5.388 332 HG3 PRO 45 2HG PRO 45 -14.302 -0.418 -4.911 333 HD2 PRO 45 1HD PRO 45 -13.365 2.114 -4.702 334 HD3 PRO 45 2HD PRO 45 -12.308 0.730 -5.047 335 H GLY 46 H GLY 46 -14.476 3.414 -6.926 336 HA2 GLY 46 1HA GLY 46 -16.285 3.860 -9.203 337 HA3 GLY 46 2HA GLY 46 -16.906 4.011 -7.566 338 H GLY 47 H GLY 47 -13.663 4.996 -8.430 339 HA2 GLY 47 1HA GLY 47 -14.368 7.762 -8.819 340 HA3 GLY 47 2HA GLY 47 -13.664 7.441 -7.241 341 H GLN 48 H GLN 48 -12.464 9.166 -9.043 342 HA GLN 48 HA GLN 48 -10.530 8.032 -10.712 343 HB2 GLN 48 1HB GLN 48 -11.302 10.535 -10.300 344 HB3 GLN 48 2HB GLN 48 -9.901 10.547 -9.236 345 HG2 GLN 48 1HG GLN 48 -9.585 11.329 -11.642 346 HG3 GLN 48 2HG GLN 48 -8.413 10.188 -10.984 347 HE21 GLN 48 1HE2 GLN 48 -11.236 10.506 -13.045 348 HE22 GLN 48 2HE2 GLN 48 -10.938 9.091 -13.990 349 H THR 49 H THR 49 -8.111 8.280 -10.311 350 HA THR 49 HA THR 49 -7.495 6.935 -7.786 351 HB THR 49 HB THR 49 -5.686 7.302 -10.180 352 HG1 THR 49 1HG THR 49 -6.334 4.913 -10.322 353 HG21 THR 49 1HG2 THR 49 -5.555 5.583 -7.709 354 HG22 THR 49 2HG2 THR 49 -4.390 6.786 -8.262 355 HG23 THR 49 3HG2 THR 49 -4.580 5.271 -9.144 356 H GLN 50 H GLN 50 -6.051 7.709 -6.304 357 HA GLN 50 HA GLN 50 -5.016 10.427 -6.781 358 HB2 GLN 50 1HB GLN 50 -6.788 10.446 -5.110 359 HB3 GLN 50 2HB GLN 50 -5.965 9.194 -4.189 360 HG2 GLN 50 1HG GLN 50 -5.394 11.088 -3.029 361 HG3 GLN 50 2HG GLN 50 -4.012 10.897 -4.107 362 HE21 GLN 50 1HE2 GLN 50 -6.569 12.903 -3.121 363 HE22 GLN 50 2HE2 GLN 50 -6.320 14.182 -4.255 364 H GLU 51 H GLU 51 -2.916 10.862 -6.274 365 HA GLU 51 HA GLU 51 -1.301 8.579 -5.344 366 HB2 GLU 51 1HB GLU 51 -0.619 10.787 -7.286 367 HB3 GLU 51 2HB GLU 51 0.582 9.700 -6.603 368 HG2 GLU 51 1HG GLU 51 -0.396 7.816 -7.663 369 HG3 GLU 51 2HG GLU 51 -1.812 8.747 -8.147 370 H ILE 52 H ILE 52 0.433 8.984 -3.932 371 HA ILE 52 HA ILE 52 0.520 11.658 -2.718 372 HB ILE 52 HB ILE 52 0.610 9.160 -1.042 373 HG12 ILE 52 1HG1 ILE 52 -1.786 10.211 -0.407 374 HG13 ILE 52 2HG1 ILE 52 -1.722 10.655 -2.109 375 HG21 ILE 52 1HG2 ILE 52 1.551 10.873 0.186 376 HG22 ILE 52 2HG2 ILE 52 0.499 12.098 -0.521 377 HG23 ILE 52 3HG2 ILE 52 -0.141 10.968 0.671 378 HD11 ILE 52 1HD1 ILE 52 -2.800 8.411 -1.387 379 HD12 ILE 52 2HD1 ILE 52 -1.765 8.467 -2.814 380 HD13 ILE 52 3HD1 ILE 52 -1.131 7.851 -1.288 381 H LEU 53 H LEU 53 2.462 11.977 -1.347 382 HA LEU 53 HA LEU 53 4.758 10.564 -2.521 383 HB2 LEU 53 1HB LEU 53 4.295 13.341 -1.589 384 HB3 LEU 53 2HB LEU 53 5.910 12.670 -1.364 385 HG LEU 53 HG LEU 53 4.485 12.852 -4.017 386 HD11 LEU 53 1HD1 LEU 53 5.116 15.046 -2.886 387 HD12 LEU 53 2HD1 LEU 53 5.741 14.766 -4.511 388 HD13 LEU 53 3HD1 LEU 53 6.792 14.545 -3.113 389 HD21 LEU 53 1HD2 LEU 53 6.864 11.490 -3.110 390 HD22 LEU 53 2HD2 LEU 53 7.241 12.673 -4.362 391 HD23 LEU 53 3HD2 LEU 53 6.047 11.412 -4.672 392 H LEU 54 H LEU 54 5.326 8.923 -1.231 393 HA LEU 54 HA LEU 54 5.196 9.222 1.665 394 HB2 LEU 54 1HB LEU 54 5.518 6.944 -0.224 395 HB3 LEU 54 2HB LEU 54 6.125 6.765 1.421 396 HG LEU 54 HG LEU 54 3.900 5.805 1.189 397 HD11 LEU 54 1HD1 LEU 54 3.171 8.132 2.785 398 HD12 LEU 54 2HD1 LEU 54 4.763 7.483 3.176 399 HD13 LEU 54 3HD1 LEU 54 3.343 6.440 3.254 400 HD21 LEU 54 1HD2 LEU 54 1.980 7.096 0.622 401 HD22 LEU 54 2HD2 LEU 54 3.179 7.349 -0.647 402 HD23 LEU 54 3HD2 LEU 54 2.920 8.588 0.583 403 HA PRO 55 HA PRO 55 9.491 10.367 1.798 404 HB2 PRO 55 1HB PRO 55 9.698 10.399 4.505 405 HB3 PRO 55 2HB PRO 55 8.918 11.692 3.586 406 HG2 PRO 55 1HG PRO 55 7.676 9.399 5.056 407 HG3 PRO 55 2HG PRO 55 7.177 11.099 5.008 408 HD2 PRO 55 1HD PRO 55 5.967 9.184 3.525 409 HD3 PRO 55 2HD PRO 55 6.123 10.864 2.972 410 H GLY 56 H GLY 56 11.015 8.910 1.330 411 HA2 GLY 56 1HA GLY 56 10.999 6.214 1.989 412 HA3 GLY 56 2HA GLY 56 12.435 7.117 1.528 413 H GLY 57 H GLY 57 11.243 5.169 3.844 414 HA2 GLY 57 1HA GLY 57 12.998 4.812 5.633 415 HA3 GLY 57 2HA GLY 57 12.748 6.512 6.001 416 H ILE 58 H ILE 58 9.845 5.183 5.067 417 HA ILE 58 HA ILE 58 9.076 4.737 7.876 418 HB ILE 58 HB ILE 58 6.983 5.663 7.493 419 HG12 ILE 58 1HG1 ILE 58 7.488 5.393 4.522 420 HG13 ILE 58 2HG1 ILE 58 6.433 4.365 5.485 421 HG21 ILE 58 1HG2 ILE 58 8.544 7.444 7.507 422 HG22 ILE 58 2HG2 ILE 58 8.984 7.164 5.823 423 HG23 ILE 58 3HG2 ILE 58 7.390 7.803 6.223 424 HD11 ILE 58 1HD1 ILE 58 5.042 5.885 4.347 425 HD12 ILE 58 2HD1 ILE 58 5.109 6.440 6.019 426 HD13 ILE 58 3HD1 ILE 58 6.060 7.258 4.780 427 H THR 59 H THR 59 7.307 3.205 8.232 428 HA THR 59 HA THR 59 7.203 1.088 6.185 429 HB THR 59 HB THR 59 7.141 -0.589 8.016 430 HG1 THR 59 1HG THR 59 7.532 1.742 9.571 431 HG21 THR 59 1HG2 THR 59 9.423 0.996 7.192 432 HG22 THR 59 2HG2 THR 59 9.288 -0.748 7.418 433 HG23 THR 59 3HG2 THR 59 9.661 0.294 8.791 434 H SER 60 H SER 60 5.415 3.367 7.441 435 HA SER 60 HA SER 60 2.948 1.974 7.020 436 HB2 SER 60 1HB SER 60 1.985 2.374 9.243 437 HB3 SER 60 2HB SER 60 3.394 1.320 9.353 438 HG SER 60 HG SER 60 3.198 3.177 10.886 439 H HIS 61 H HIS 61 1.264 3.354 6.569 440 HA HIS 61 HA HIS 61 1.681 6.224 6.982 441 HB2 HIS 61 1HB HIS 61 2.398 5.331 4.625 442 HB3 HIS 61 2HB HIS 61 0.663 5.283 4.324 443 HD1 HIS 61 1HD HIS 61 0.493 7.202 2.705 444 HD2 HIS 61 2HD HIS 61 2.448 8.235 6.222 445 HE1 HIS 61 1HE HIS 61 0.772 9.699 2.610 446 HE2 HIS 61 2HE HIS 61 2.033 10.291 4.709 447 H GLN 62 H GLN 62 -0.166 7.385 7.326 448 HA GLN 62 HA GLN 62 -2.610 5.814 7.655 449 HB2 GLN 62 1HB GLN 62 -1.924 7.063 9.603 450 HB3 GLN 62 2HB GLN 62 -1.823 8.549 8.667 451 HG2 GLN 62 1HG GLN 62 -3.824 8.528 10.021 452 HG3 GLN 62 2HG GLN 62 -4.236 8.490 8.308 453 HE21 GLN 62 1HE2 GLN 62 -4.890 6.466 7.391 454 HE22 GLN 62 2HE2 GLN 62 -5.642 5.269 8.385 455 H LEU 63 H LEU 63 -3.952 5.788 5.981 456 HA LEU 63 HA LEU 63 -4.000 7.986 4.084 457 HB2 LEU 63 1HB LEU 63 -5.335 5.294 4.170 458 HB3 LEU 63 2HB LEU 63 -5.698 6.493 2.931 459 HG LEU 63 HG LEU 63 -2.943 5.367 3.409 460 HD11 LEU 63 1HD1 LEU 63 -4.477 3.578 2.759 461 HD12 LEU 63 2HD1 LEU 63 -3.334 3.952 1.469 462 HD13 LEU 63 3HD1 LEU 63 -4.998 4.529 1.368 463 HD21 LEU 63 1HD2 LEU 63 -3.947 7.531 1.858 464 HD22 LEU 63 2HD2 LEU 63 -3.398 6.264 0.762 465 HD23 LEU 63 3HD2 LEU 63 -2.295 6.924 1.970 466 H LEU 64 H LEU 64 -5.668 9.386 3.761 467 HA LEU 64 HA LEU 64 -7.860 9.278 5.725 468 HB2 LEU 64 1HB LEU 64 -6.949 11.751 4.289 469 HB3 LEU 64 2HB LEU 64 -7.935 11.629 5.744 470 HG LEU 64 HG LEU 64 -5.851 12.414 6.474 471 HD11 LEU 64 1HD1 LEU 64 -6.771 10.522 7.783 472 HD12 LEU 64 2HD1 LEU 64 -5.017 10.669 7.899 473 HD13 LEU 64 3HD1 LEU 64 -5.732 9.429 6.868 474 HD21 LEU 64 1HD2 LEU 64 -4.013 10.411 5.607 475 HD22 LEU 64 2HD2 LEU 64 -3.994 12.146 5.294 476 HD23 LEU 64 3HD2 LEU 64 -4.861 11.062 4.205 477 H GLY 65 H GLY 65 -9.765 10.775 4.845 478 HA2 GLY 65 1HA GLY 65 -11.567 10.786 3.418 479 HA3 GLY 65 2HA GLY 65 -10.358 11.025 2.164 480 H LEU 66 H LEU 66 -12.061 8.547 4.028 481 HA LEU 66 HA LEU 66 -11.805 6.761 1.703 482 HB2 LEU 66 1HB LEU 66 -11.766 5.897 4.589 483 HB3 LEU 66 2HB LEU 66 -11.612 4.855 3.176 484 HG LEU 66 HG LEU 66 -9.607 6.932 4.058 485 HD11 LEU 66 1HD1 LEU 66 -10.001 4.638 5.327 486 HD12 LEU 66 2HD1 LEU 66 -8.387 5.292 5.052 487 HD13 LEU 66 3HD1 LEU 66 -9.016 4.027 3.998 488 HD21 LEU 66 1HD2 LEU 66 -8.206 6.126 2.307 489 HD22 LEU 66 2HD2 LEU 66 -9.767 6.529 1.592 490 HD23 LEU 66 3HD2 LEU 66 -9.347 4.843 1.903 491 H PHE 67 H PHE 67 -13.576 5.440 1.249 492 HA PHE 67 HA PHE 67 -16.095 6.420 2.333 493 HB2 PHE 67 1HB PHE 67 -15.483 4.589 0.005 494 HB3 PHE 67 2HB PHE 67 -17.107 5.073 0.485 495 HD1 PHE 67 2HD PHE 67 -16.666 7.920 1.135 496 HD2 PHE 67 1HD PHE 67 -15.210 5.553 -2.088 497 HE1 PHE 67 2HE PHE 67 -16.475 9.940 -0.256 498 HE2 PHE 67 1HE PHE 67 -15.015 7.569 -3.485 499 HZ PHE 67 HZ PHE 67 -15.650 9.766 -2.570 500 HA PRO 68 HA PRO 68 -16.911 2.968 4.919 501 HB2 PRO 68 1HB PRO 68 -19.615 2.818 4.735 502 HB3 PRO 68 2HB PRO 68 -18.782 4.099 5.625 503 HG2 PRO 68 1HG PRO 68 -19.947 4.158 2.868 504 HG3 PRO 68 2HG PRO 68 -20.036 5.383 4.146 505 HD2 PRO 68 1HD PRO 68 -18.305 5.566 2.072 506 HD3 PRO 68 2HD PRO 68 -17.929 6.196 3.689 507 H SER 69 H SER 69 -16.825 0.818 4.685 508 HA SER 69 HA SER 69 -16.758 -1.217 3.656 509 HB2 SER 69 1HB SER 69 -19.191 -0.979 4.222 510 HB3 SER 69 2HB SER 69 -19.464 -0.393 2.582 511 HG SER 69 HG SER 69 -18.202 -2.869 3.095 512 H THR 70 H THR 70 -15.585 0.971 2.188 513 HA THR 70 HA THR 70 -16.127 0.201 -0.597 514 HB THR 70 HB THR 70 -14.873 2.666 0.597 515 HG1 THR 70 1HG THR 70 -17.119 2.121 -1.061 516 HG21 THR 70 1HG2 THR 70 -14.839 1.783 -2.291 517 HG22 THR 70 2HG2 THR 70 -13.441 2.050 -1.249 518 HG23 THR 70 3HG2 THR 70 -14.452 3.411 -1.735 519 H SER 71 H SER 71 -14.739 -1.099 -1.585 520 HA SER 71 HA SER 71 -12.301 -1.911 -0.331 521 HB2 SER 71 1HB SER 71 -13.755 -3.407 -1.736 522 HB3 SER 71 2HB SER 71 -13.211 -2.510 -3.154 523 HG SER 71 HG SER 71 -11.007 -3.096 -2.101 524 H TYR 72 H TYR 72 -10.290 -1.187 -0.634 525 HA TYR 72 HA TYR 72 -9.802 0.666 -2.873 526 HB2 TYR 72 1HB TYR 72 -8.997 0.890 0.016 527 HB3 TYR 72 2HB TYR 72 -8.096 1.725 -1.245 528 HD1 TYR 72 2HD TYR 72 -9.298 3.409 -2.682 529 HD2 TYR 72 1HD TYR 72 -11.043 1.749 0.825 530 HE1 TYR 72 2HE TYR 72 -10.917 5.259 -2.619 531 HE2 TYR 72 1HE TYR 72 -12.667 3.594 0.898 532 HH TYR 72 HH TYR 72 -12.686 6.123 -1.597 533 H ASN 73 H ASN 73 -7.778 0.587 -3.854 534 HA ASN 73 HA ASN 73 -6.103 -1.717 -3.101 535 HB2 ASN 73 1HB ASN 73 -7.330 -2.145 -5.190 536 HB3 ASN 73 2HB ASN 73 -6.658 -0.674 -5.888 537 HD21 ASN 73 1HD2 ASN 73 -5.393 -1.406 -7.464 538 HD22 ASN 73 2HD2 ASN 73 -4.105 -2.540 -7.262 539 H ALA 74 H ALA 74 -4.314 -0.933 -2.195 540 HA ALA 74 HA ALA 74 -3.179 1.586 -3.139 541 HB1 ALA 74 1HB ALA 74 -2.974 1.790 -0.917 542 HB2 ALA 74 2HB ALA 74 -3.081 0.050 -0.647 543 HB3 ALA 74 3HB ALA 74 -1.544 0.777 -1.118 544 H ARG 75 H ARG 75 -0.855 1.750 -3.525 545 HA ARG 75 HA ARG 75 0.517 -0.716 -4.239 546 HB2 ARG 75 1HB ARG 75 -0.807 0.069 -6.250 547 HB3 ARG 75 2HB ARG 75 0.219 1.497 -6.269 548 HG2 ARG 75 1HG ARG 75 2.189 -0.063 -6.449 549 HG3 ARG 75 2HG ARG 75 1.024 -1.361 -6.721 550 HD2 ARG 75 1HD ARG 75 0.896 1.129 -8.367 551 HD3 ARG 75 2HD ARG 75 2.088 -0.112 -8.747 552 HE ARG 75 HE ARG 75 -0.617 -1.081 -8.471 553 HH11 ARG 75 2HH1 ARG 75 1.800 0.187 -10.633 554 HH12 ARG 75 1HH1 ARG 75 1.069 -0.485 -12.053 555 HH21 ARG 75 2HH2 ARG 75 -1.588 -1.971 -10.333 556 HH22 ARG 75 1HH2 ARG 75 -0.858 -1.712 -11.881 557 H LEU 76 H LEU 76 2.420 -0.549 -3.270 558 HA LEU 76 HA LEU 76 3.656 2.099 -2.994 559 HB2 LEU 76 1HB LEU 76 3.275 0.845 -0.928 560 HB3 LEU 76 2HB LEU 76 4.247 -0.485 -1.556 561 HG LEU 76 HG LEU 76 6.125 1.328 -1.684 562 HD11 LEU 76 1HD1 LEU 76 4.309 2.486 0.425 563 HD12 LEU 76 2HD1 LEU 76 4.679 3.220 -1.135 564 HD13 LEU 76 3HD1 LEU 76 5.954 3.011 0.066 565 HD21 LEU 76 1HD2 LEU 76 6.940 0.592 0.394 566 HD22 LEU 76 2HD2 LEU 76 5.930 -0.727 -0.197 567 HD23 LEU 76 3HD2 LEU 76 5.317 0.365 1.045 568 H GLN 77 H GLN 77 5.345 2.613 -4.211 569 HA GLN 77 HA GLN 77 7.060 0.466 -5.248 570 HB2 GLN 77 1HB GLN 77 5.293 1.537 -6.892 571 HB3 GLN 77 2HB GLN 77 6.482 2.830 -6.980 572 HG2 GLN 77 1HG GLN 77 8.133 1.380 -7.849 573 HG3 GLN 77 2HG GLN 77 7.167 -0.049 -7.486 574 HE21 GLN 77 1HE2 GLN 77 8.175 0.285 -9.979 575 HE22 GLN 77 2HE2 GLN 77 6.906 0.644 -11.094 576 H ALA 78 H ALA 78 9.049 0.789 -4.531 577 HA ALA 78 HA ALA 78 9.907 3.392 -3.620 578 HB1 ALA 78 1HB ALA 78 12.071 1.565 -3.629 579 HB2 ALA 78 2HB ALA 78 11.138 2.154 -2.253 580 HB3 ALA 78 3HB ALA 78 10.632 0.692 -3.100 581 H MET 79 H MET 79 11.050 4.831 -4.741 582 HA MET 79 HA MET 79 11.743 4.314 -7.474 583 HB2 MET 79 1HB MET 79 12.348 6.718 -5.743 584 HB3 MET 79 2HB MET 79 12.520 6.643 -7.492 585 HG2 MET 79 1HG MET 79 10.140 6.358 -7.754 586 HG3 MET 79 2HG MET 79 9.928 6.299 -6.006 587 HE1 MET 79 1HE MET 79 11.550 8.756 -4.741 588 HE2 MET 79 2HE MET 79 10.157 9.836 -4.800 589 HE3 MET 79 3HE MET 79 9.929 8.120 -4.461 590 H TRP 80 H TRP 80 13.417 2.965 -7.800 591 HA TRP 80 HA TRP 80 15.870 3.357 -6.237 592 HB2 TRP 80 1HB TRP 80 14.649 1.047 -7.653 593 HB3 TRP 80 2HB TRP 80 16.408 1.136 -7.644 594 HD1 TRP 80 HD TRP 80 17.579 1.193 -5.137 595 HE1 TRP 80 1HE TRP 80 16.821 0.046 -2.961 596 HE3 TRP 80 3HE TRP 80 12.693 0.302 -6.349 597 HZ2 TRP 80 2HZ TRP 80 14.464 -1.087 -1.899 598 HZ3 TRP 80 3HZ TRP 80 11.254 -0.818 -4.698 599 HH2 TRP 80 HH TRP 80 12.123 -1.498 -2.520 600 H GLY 81 H GLY 81 17.242 4.753 -7.137 601 HA2 GLY 81 1HA GLY 81 17.369 5.884 -9.548 602 HA3 GLY 81 2HA GLY 81 18.837 5.421 -8.699 603 H GLN 82 H GLN 82 18.634 2.640 -8.878 604 HA GLN 82 HA GLN 82 19.723 2.188 -11.435 605 HB2 GLN 82 1HB GLN 82 20.167 0.857 -9.330 606 HB3 GLN 82 2HB GLN 82 18.614 0.073 -9.590 607 HG2 GLN 82 1HG GLN 82 19.522 -0.538 -11.901 608 HG3 GLN 82 2HG GLN 82 21.099 -0.096 -11.251 609 HE21 GLN 82 1HE2 GLN 82 19.442 -2.666 -11.988 610 HE22 GLN 82 2HE2 GLN 82 19.877 -3.750 -10.716 611 H SER 83 H SER 83 16.689 0.920 -10.047 612 HA SER 83 HA SER 83 15.386 1.226 -12.630 613 HB2 SER 83 1HB SER 83 16.024 -1.408 -11.370 614 HB3 SER 83 2HB SER 83 14.494 -1.234 -12.229 615 HG SER 83 HG SER 83 16.788 -0.298 -13.501 616 H LEU 84 H LEU 84 13.038 0.049 -12.265 617 HA LEU 84 HA LEU 84 12.004 1.260 -9.787 618 HB2 LEU 84 1HB LEU 84 10.581 0.830 -12.410 619 HB3 LEU 84 2HB LEU 84 9.894 1.581 -10.971 620 HG LEU 84 HG LEU 84 12.283 2.744 -12.372 621 HD11 LEU 84 1HD1 LEU 84 10.826 2.840 -14.140 622 HD12 LEU 84 2HD1 LEU 84 10.419 4.333 -13.295 623 HD13 LEU 84 3HD1 LEU 84 9.399 2.906 -13.105 624 HD21 LEU 84 1HD2 LEU 84 10.213 3.782 -10.448 625 HD22 LEU 84 2HD2 LEU 84 11.323 4.828 -11.334 626 HD23 LEU 84 3HD2 LEU 84 11.953 3.634 -10.199 627 H LEU 85 H LEU 85 12.563 -0.848 -8.802 628 HA LEU 85 HA LEU 85 11.691 -3.327 -9.382 629 HB2 LEU 85 1HB LEU 85 11.311 -2.149 -6.640 630 HB3 LEU 85 2HB LEU 85 11.641 -3.829 -7.056 631 HG LEU 85 HG LEU 85 13.536 -1.492 -7.142 632 HD11 LEU 85 1HD1 LEU 85 13.906 -2.233 -5.069 633 HD12 LEU 85 2HD1 LEU 85 14.724 -3.590 -5.843 634 HD13 LEU 85 3HD1 LEU 85 13.037 -3.741 -5.353 635 HD21 LEU 85 1HD2 LEU 85 13.980 -4.285 -8.192 636 HD22 LEU 85 2HD2 LEU 85 15.200 -3.018 -8.064 637 HD23 LEU 85 3HD2 LEU 85 13.840 -2.824 -9.170 638 HA PRO 86 HA PRO 86 7.306 -3.426 -9.611 639 HB2 PRO 86 1HB PRO 86 6.814 -5.955 -8.756 640 HB3 PRO 86 2HB PRO 86 7.521 -5.596 -10.335 641 HG2 PRO 86 1HG PRO 86 8.873 -6.446 -7.803 642 HG3 PRO 86 2HG PRO 86 9.163 -6.994 -9.464 643 HD2 PRO 86 1HD PRO 86 10.747 -5.176 -8.234 644 HD3 PRO 86 2HD PRO 86 10.446 -5.152 -9.984 645 HA PRO 87 HA PRO 87 6.174 -2.263 -5.435 646 HB2 PRO 87 1HB PRO 87 3.725 -1.294 -6.095 647 HB3 PRO 87 2HB PRO 87 5.221 -0.392 -6.368 648 HG2 PRO 87 1HG PRO 87 3.609 -2.016 -8.299 649 HG3 PRO 87 2HG PRO 87 4.370 -0.432 -8.532 650 HD2 PRO 87 1HD PRO 87 5.475 -2.729 -9.447 651 HD3 PRO 87 2HD PRO 87 6.452 -1.348 -8.907 652 H VAL 88 H VAL 88 4.254 -2.689 -4.020 653 HA VAL 88 HA VAL 88 3.101 -5.328 -4.647 654 HB VAL 88 HB VAL 88 2.819 -5.450 -2.086 655 HG11 VAL 88 1HG1 VAL 88 4.631 -6.793 -2.041 656 HG12 VAL 88 2HG1 VAL 88 4.666 -6.454 -3.772 657 HG13 VAL 88 3HG1 VAL 88 5.705 -5.546 -2.673 658 HG21 VAL 88 1HG2 VAL 88 3.705 -2.897 -2.136 659 HG22 VAL 88 2HG2 VAL 88 3.836 -3.960 -0.735 660 HG23 VAL 88 3HG2 VAL 88 5.211 -3.758 -1.820 661 H SER 89 H SER 89 1.024 -5.215 -5.163 662 HA SER 89 HA SER 89 -0.614 -3.043 -4.078 663 HB2 SER 89 1HB SER 89 -2.234 -3.658 -5.835 664 HB3 SER 89 2HB SER 89 -0.642 -3.321 -6.514 665 HG SER 89 HG SER 89 -1.918 -5.811 -6.144 666 H THR 90 H THR 90 -2.220 -3.373 -2.662 667 HA THR 90 HA THR 90 -3.113 -6.125 -2.150 668 HB THR 90 HB THR 90 -1.384 -5.345 -0.451 669 HG1 THR 90 1HG THR 90 -3.364 -6.880 -0.186 670 HG21 THR 90 1HG2 THR 90 -1.668 -3.413 0.619 671 HG22 THR 90 2HG2 THR 90 -3.238 -3.950 1.217 672 HG23 THR 90 3HG2 THR 90 -3.122 -3.118 -0.333 673 H SER 91 H SER 91 -5.211 -6.314 -1.245 674 HA SER 91 HA SER 91 -6.869 -3.912 -1.639 675 HB2 SER 91 1HB SER 91 -7.628 -6.832 -1.894 676 HB3 SER 91 2HB SER 91 -8.737 -5.476 -2.093 677 HG SER 91 HG SER 91 -6.517 -6.177 -3.702 678 H PHE 92 H PHE 92 -8.171 -3.211 -0.037 679 HA PHE 92 HA PHE 92 -8.652 -4.912 2.285 680 HB2 PHE 92 1HB PHE 92 -7.893 -3.234 3.868 681 HB3 PHE 92 2HB PHE 92 -6.574 -3.651 2.779 682 HD1 PHE 92 1HD PHE 92 -6.229 -2.102 0.741 683 HD2 PHE 92 2HD PHE 92 -8.456 -1.019 4.203 684 HE1 PHE 92 1HE PHE 92 -5.938 0.276 0.180 685 HE2 PHE 92 2HE PHE 92 -8.169 1.361 3.647 686 HZ PHE 92 HZ PHE 92 -6.909 2.011 1.634 687 H THR 93 H THR 93 -10.609 -4.594 3.194 688 HA THR 93 HA THR 93 -12.312 -2.540 1.982 689 HB THR 93 HB THR 93 -13.160 -4.887 3.688 690 HG1 THR 93 1HG THR 93 -13.566 -5.939 1.751 691 HG21 THR 93 1HG2 THR 93 -15.369 -4.443 2.918 692 HG22 THR 93 2HG2 THR 93 -14.794 -3.247 1.756 693 HG23 THR 93 3HG2 THR 93 -14.712 -2.908 3.485 694 H THR 94 H THR 94 -13.209 -0.915 3.122 695 HA THR 94 HA THR 94 -12.259 -0.477 5.822 696 HB THR 94 HB THR 94 -13.416 1.723 5.619 697 HG1 THR 94 1HG THR 94 -15.055 1.275 4.176 698 HG21 THR 94 1HG2 THR 94 -11.956 2.578 3.741 699 HG22 THR 94 2HG2 THR 94 -11.479 0.904 3.460 700 HG23 THR 94 3HG2 THR 94 -11.120 1.676 5.004 701 H GLY 95 H GLY 95 -13.627 -0.001 7.616 702 HA2 GLY 95 1HA GLY 95 -15.795 -1.789 7.912 703 HA3 GLY 95 2HA GLY 95 -15.353 -0.516 9.041 704 H GLY 96 H GLY 96 -17.354 0.281 9.498 705 HA2 GLY 96 1HA GLY 96 -18.678 1.699 7.293 706 HA3 GLY 96 2HA GLY 96 -19.630 0.595 8.275 707 H LEU 97 H LEU 97 -19.782 3.546 7.866 708 HA LEU 97 HA LEU 97 -18.936 4.857 10.224 709 HB2 LEU 97 1HB LEU 97 -21.209 5.592 8.386 710 HB3 LEU 97 2HB LEU 97 -20.408 6.661 9.537 711 HG LEU 97 HG LEU 97 -18.979 5.405 7.203 712 HD11 LEU 97 1HD1 LEU 97 -20.988 7.405 7.123 713 HD12 LEU 97 2HD1 LEU 97 -19.963 6.820 5.813 714 HD13 LEU 97 3HD1 LEU 97 -19.434 8.177 6.807 715 HD21 LEU 97 1HD2 LEU 97 -17.858 6.452 9.344 716 HD22 LEU 97 2HD2 LEU 97 -18.223 7.966 8.517 717 HD23 LEU 97 3HD2 LEU 97 -17.209 6.754 7.732 718 H ARG 98 H ARG 98 -19.705 4.715 12.218 719 HA ARG 98 HA ARG 98 -21.111 4.417 13.984 720 HB2 ARG 98 1HB ARG 98 -22.609 5.928 12.637 721 HB3 ARG 98 2HB ARG 98 -23.371 4.485 11.982 722 HG2 ARG 98 1HG ARG 98 -24.813 4.907 13.676 723 HG3 ARG 98 2HG ARG 98 -23.646 3.920 14.558 724 HD2 ARG 98 1HD ARG 98 -22.571 5.872 15.441 725 HD3 ARG 98 2HD ARG 98 -23.546 6.928 14.420 726 HE ARG 98 HE ARG 98 -25.381 5.579 15.900 727 HH11 ARG 98 2HH1 ARG 98 -22.566 7.480 16.665 728 HH12 ARG 98 1HH1 ARG 98 -23.190 8.031 18.184 729 HH21 ARG 98 2HH2 ARG 98 -26.214 6.298 17.899 730 HH22 ARG 98 1HH2 ARG 98 -25.264 7.357 18.886 731 H ILE 99 H ILE 99 -19.939 2.188 12.739 732 HA ILE 99 HA ILE 99 -22.027 0.133 13.067 733 HB ILE 99 HB ILE 99 -19.447 -0.064 11.507 734 HG12 ILE 99 1HG1 ILE 99 -20.873 1.238 10.182 735 HG13 ILE 99 2HG1 ILE 99 -21.168 -0.398 9.602 736 HG21 ILE 99 1HG2 ILE 99 -21.619 -2.087 11.332 737 HG22 ILE 99 2HG2 ILE 99 -19.882 -2.270 11.094 738 HG23 ILE 99 3HG2 ILE 99 -20.539 -2.131 12.725 739 HD11 ILE 99 1HD1 ILE 99 -23.127 -0.428 11.235 740 HD12 ILE 99 2HD1 ILE 99 -22.907 1.320 11.327 741 HD13 ILE 99 3HD1 ILE 99 -23.281 0.558 9.781 742 H SER 100 H SER 100 -21.912 -0.812 14.987 743 HA SER 100 HA SER 100 -19.687 -0.690 16.707 744 HB2 SER 100 1HB SER 100 -22.155 -1.105 17.300 745 HB3 SER 100 2HB SER 100 -21.840 -2.792 16.895 746 HG SER 100 HG SER 100 -20.331 -2.887 18.527 747 H GLY 101 H GLY 101 -20.916 -3.302 14.637 748 HA2 GLY 101 1HA GLY 101 -19.672 -4.949 13.560 749 HA3 GLY 101 2HA GLY 101 -18.241 -4.390 14.413 750 HA PRO 102 HA PRO 102 -19.874 -8.431 16.215 751 HB2 PRO 102 1HB PRO 102 -17.721 -9.957 15.579 752 HB3 PRO 102 2HB PRO 102 -19.109 -9.760 14.504 753 HG2 PRO 102 1HG PRO 102 -16.454 -8.378 14.442 754 HG3 PRO 102 2HG PRO 102 -17.402 -9.041 13.098 755 HD2 PRO 102 1HD PRO 102 -17.365 -6.399 13.691 756 HD3 PRO 102 2HD PRO 102 -18.791 -7.204 13.007 757 H SER 103 H SER 103 -19.429 -8.907 18.289 758 HA SER 103 HA SER 103 -17.119 -7.620 19.521 759 HB2 SER 103 1HB SER 103 -19.600 -8.907 20.670 760 HB3 SER 103 2HB SER 103 -18.271 -8.319 21.669 761 HG SER 103 HG SER 103 -20.078 -6.874 20.075 762 H SER 104 H SER 104 -16.256 -8.968 21.503 763 HA SER 104 HA SER 104 -15.238 -11.448 20.357 764 HB2 SER 104 1HB SER 104 -13.469 -11.305 21.919 765 HB3 SER 104 2HB SER 104 -13.768 -9.637 21.431 766 HG SER 104 HG SER 104 -15.229 -9.651 23.374 767 H GLY 105 H GLY 105 -14.898 -13.305 21.919 768 HA2 GLY 105 1HA GLY 105 -16.269 -13.746 24.251 769 HA3 GLY 105 2HA GLY 105 -17.451 -14.051 22.987 Start of MODEL 13 1 H1 GLY 1 H GLY 1 20.784 -20.709 -9.451 2 HA2 GLY 1 1HA GLY 1 22.054 -18.886 -10.171 3 HA3 GLY 1 2HA GLY 1 20.556 -18.597 -11.043 4 H SER 2 H SER 2 22.428 -16.610 -10.193 5 HA SER 2 HA SER 2 21.462 -15.312 -7.841 6 HB2 SER 2 1HB SER 2 23.768 -15.003 -8.695 7 HB3 SER 2 2HB SER 2 23.117 -14.169 -10.105 8 HG SER 2 HG SER 2 23.801 -13.043 -7.909 9 H SER 3 H SER 3 19.368 -14.722 -7.851 10 HA SER 3 HA SER 3 17.985 -13.769 -10.138 11 HB2 SER 3 1HB SER 3 17.334 -13.728 -7.190 12 HB3 SER 3 2HB SER 3 16.239 -13.082 -8.412 13 HG SER 3 HG SER 3 16.103 -15.434 -7.680 14 H GLY 4 H GLY 4 18.895 -11.987 -11.063 15 HA2 GLY 4 1HA GLY 4 18.549 -9.577 -11.139 16 HA3 GLY 4 2HA GLY 4 18.879 -9.539 -9.413 17 H SER 5 H SER 5 20.148 -8.044 -11.586 18 HA SER 5 HA SER 5 22.817 -9.171 -11.785 19 HB2 SER 5 1HB SER 5 21.767 -8.015 -13.723 20 HB3 SER 5 2HB SER 5 21.782 -6.513 -12.800 21 HG SER 5 HG SER 5 23.600 -6.699 -14.183 22 H SER 6 H SER 6 21.399 -6.121 -10.600 23 HA SER 6 HA SER 6 23.808 -5.365 -9.243 24 HB2 SER 6 1HB SER 6 22.187 -3.711 -10.159 25 HB3 SER 6 2HB SER 6 21.022 -4.219 -8.937 26 HG SER 6 HG SER 6 23.029 -2.466 -8.708 27 H GLY 7 H GLY 7 20.527 -5.980 -7.968 28 HA2 GLY 7 1HA GLY 7 20.480 -7.829 -6.236 29 HA3 GLY 7 2HA GLY 7 21.803 -6.947 -5.487 30 H LEU 8 H LEU 8 18.551 -6.204 -6.758 31 HA LEU 8 HA LEU 8 18.111 -4.549 -4.363 32 HB2 LEU 8 1HB LEU 8 17.009 -4.386 -7.151 33 HB3 LEU 8 2HB LEU 8 16.247 -3.552 -5.798 34 HG LEU 8 HG LEU 8 19.099 -3.102 -6.670 35 HD11 LEU 8 1HD1 LEU 8 17.423 -2.464 -8.402 36 HD12 LEU 8 2HD1 LEU 8 18.362 -1.113 -7.768 37 HD13 LEU 8 3HD1 LEU 8 16.703 -1.364 -7.226 38 HD21 LEU 8 1HD2 LEU 8 19.298 -1.759 -4.907 39 HD22 LEU 8 2HD2 LEU 8 17.811 -2.485 -4.296 40 HD23 LEU 8 3HD2 LEU 8 17.745 -0.987 -5.227 41 H GLU 9 H GLU 9 15.941 -4.531 -3.462 42 HA GLU 9 HA GLU 9 14.290 -6.859 -4.098 43 HB2 GLU 9 1HB GLU 9 15.715 -6.367 -1.526 44 HB3 GLU 9 2HB GLU 9 14.098 -7.053 -1.456 45 HG2 GLU 9 1HG GLU 9 15.034 -8.734 -3.208 46 HG3 GLU 9 2HG GLU 9 16.599 -8.213 -2.587 47 H ALA 10 H ALA 10 12.117 -6.638 -3.567 48 HA ALA 10 HA ALA 10 11.280 -3.885 -3.046 49 HB1 ALA 10 1HB ALA 10 10.350 -5.931 -4.760 50 HB2 ALA 10 2HB ALA 10 9.069 -5.592 -3.596 51 HB3 ALA 10 3HB ALA 10 9.733 -4.288 -4.581 52 HA PRO 11 HA PRO 11 9.564 -4.576 0.934 53 HB2 PRO 11 1HB PRO 11 7.086 -3.474 0.794 54 HB3 PRO 11 2HB PRO 11 8.567 -2.509 0.806 55 HG2 PRO 11 1HG PRO 11 6.860 -3.332 -1.512 56 HG3 PRO 11 2HG PRO 11 7.610 -1.760 -1.177 57 HD2 PRO 11 1HD PRO 11 8.666 -3.535 -2.927 58 HD3 PRO 11 2HD PRO 11 9.670 -2.435 -1.961 59 H ARG 12 H ARG 12 8.377 -6.015 2.140 60 HA ARG 12 HA ARG 12 6.393 -7.660 0.726 61 HB2 ARG 12 1HB ARG 12 7.299 -9.654 1.926 62 HB3 ARG 12 2HB ARG 12 8.402 -8.975 0.736 63 HG2 ARG 12 1HG ARG 12 9.857 -9.286 2.445 64 HG3 ARG 12 2HG ARG 12 9.295 -7.663 2.853 65 HD2 ARG 12 1HD ARG 12 9.271 -9.008 4.841 66 HD3 ARG 12 2HD ARG 12 7.607 -8.685 4.358 67 HE ARG 12 HE ARG 12 7.310 -10.931 4.142 68 HH11 ARG 12 2HH1 ARG 12 10.712 -10.242 3.880 69 HH12 ARG 12 1HH1 ARG 12 11.176 -11.909 3.787 70 HH21 ARG 12 2HH2 ARG 12 7.907 -13.129 4.020 71 HH22 ARG 12 1HH2 ARG 12 9.579 -13.550 3.865 72 H ASP 13 H ASP 13 5.302 -9.176 2.460 73 HA ASP 13 HA ASP 13 3.824 -9.278 4.187 74 HB2 ASP 13 1HB ASP 13 6.013 -9.276 5.439 75 HB3 ASP 13 2HB ASP 13 5.800 -7.543 5.674 76 H LEU 14 H LEU 14 3.374 -7.250 2.272 77 HA LEU 14 HA LEU 14 2.641 -4.830 3.660 78 HB2 LEU 14 1HB LEU 14 3.333 -4.468 1.463 79 HB3 LEU 14 2HB LEU 14 2.381 -5.816 0.844 80 HG LEU 14 HG LEU 14 0.341 -4.366 1.528 81 HD11 LEU 14 1HD1 LEU 14 0.818 -2.412 2.464 82 HD12 LEU 14 2HD1 LEU 14 1.480 -1.899 0.912 83 HD13 LEU 14 3HD1 LEU 14 2.540 -2.606 2.132 84 HD21 LEU 14 1HD2 LEU 14 0.717 -3.015 -0.673 85 HD22 LEU 14 2HD2 LEU 14 0.538 -4.769 -0.730 86 HD23 LEU 14 3HD2 LEU 14 2.142 -4.042 -0.829 87 H GLU 15 H GLU 15 0.968 -4.934 5.021 88 HA GLU 15 HA GLU 15 -1.567 -5.995 3.991 89 HB2 GLU 15 1HB GLU 15 -0.585 -7.706 5.462 90 HB3 GLU 15 2HB GLU 15 -0.474 -6.525 6.760 91 HG2 GLU 15 1HG GLU 15 -2.382 -7.955 7.099 92 HG3 GLU 15 2HG GLU 15 -2.914 -6.309 6.761 93 H ALA 16 H ALA 16 -3.461 -5.141 5.081 94 HA ALA 16 HA ALA 16 -3.060 -2.361 5.839 95 HB1 ALA 16 1HB ALA 16 -5.008 -3.705 4.372 96 HB2 ALA 16 2HB ALA 16 -5.813 -3.224 5.867 97 HB3 ALA 16 3HB ALA 16 -5.024 -2.010 4.860 98 H LYS 17 H LYS 17 -3.574 -1.474 7.794 99 HA LYS 17 HA LYS 17 -4.626 -3.249 9.882 100 HB2 LYS 17 1HB LYS 17 -2.179 -1.491 10.145 101 HB3 LYS 17 2HB LYS 17 -2.957 -2.336 11.477 102 HG2 LYS 17 1HG LYS 17 -1.320 -3.831 11.010 103 HG3 LYS 17 2HG LYS 17 -2.556 -4.425 9.898 104 HD2 LYS 17 1HD LYS 17 -1.459 -2.754 8.225 105 HD3 LYS 17 2HD LYS 17 -0.078 -2.852 9.320 106 HE2 LYS 17 1HE LYS 17 -1.409 -5.123 7.850 107 HE3 LYS 17 2HE LYS 17 0.203 -4.469 7.563 108 HZ1 LYS 17 1HZ LYS 17 -0.429 -5.488 10.236 109 HZ2 LYS 17 2HZ LYS 17 1.044 -5.482 9.406 110 HZ3 LYS 17 3HZ LYS 17 -0.150 -6.609 9.000 111 H GLU 18 H GLU 18 -5.323 -2.024 11.838 112 HA GLU 18 HA GLU 18 -6.818 -0.516 12.686 113 HB2 GLU 18 1HB GLU 18 -4.928 1.463 11.402 114 HB3 GLU 18 2HB GLU 18 -6.015 1.776 12.747 115 HG2 GLU 18 1HG GLU 18 -3.654 -0.090 12.769 116 HG3 GLU 18 2HG GLU 18 -3.735 1.504 13.517 117 H VAL 19 H VAL 19 -7.465 -1.508 10.058 118 HA VAL 19 HA VAL 19 -8.298 0.486 8.278 119 HB VAL 19 HB VAL 19 -9.517 -2.240 8.741 120 HG11 VAL 19 1HG1 VAL 19 -11.133 -1.353 7.431 121 HG12 VAL 19 2HG1 VAL 19 -10.079 -0.087 6.800 122 HG13 VAL 19 3HG1 VAL 19 -9.980 -1.723 6.149 123 HG21 VAL 19 1HG2 VAL 19 -7.507 -2.912 8.002 124 HG22 VAL 19 2HG2 VAL 19 -8.092 -2.385 6.424 125 HG23 VAL 19 3HG2 VAL 19 -7.084 -1.311 7.395 126 H THR 20 H THR 20 -10.035 1.787 8.174 127 HA THR 20 HA THR 20 -12.331 1.312 9.905 128 HB THR 20 HB THR 20 -12.181 3.897 10.439 129 HG1 THR 20 1HG THR 20 -9.562 3.139 9.741 130 HG21 THR 20 1HG2 THR 20 -10.547 3.056 12.427 131 HG22 THR 20 2HG2 THR 20 -11.123 1.509 11.805 132 HG23 THR 20 3HG2 THR 20 -12.277 2.719 12.366 133 HA PRO 21 HA PRO 21 -14.643 2.958 6.557 134 HB2 PRO 21 1HB PRO 21 -16.698 4.183 7.841 135 HB3 PRO 21 2HB PRO 21 -16.539 2.425 7.741 136 HG2 PRO 21 1HG PRO 21 -15.813 4.268 9.986 137 HG3 PRO 21 2HG PRO 21 -16.627 2.693 10.049 138 HD2 PRO 21 1HD PRO 21 -13.994 2.996 10.604 139 HD3 PRO 21 2HD PRO 21 -14.650 1.523 9.860 140 H ARG 22 H ARG 22 -12.853 4.897 8.530 141 HA ARG 22 HA ARG 22 -13.608 7.324 7.037 142 HB2 ARG 22 1HB ARG 22 -12.507 7.138 9.848 143 HB3 ARG 22 2HB ARG 22 -12.808 8.634 8.975 144 HG2 ARG 22 1HG ARG 22 -15.194 8.093 8.880 145 HG3 ARG 22 2HG ARG 22 -14.883 6.607 9.779 146 HD2 ARG 22 1HD ARG 22 -14.342 7.758 11.732 147 HD3 ARG 22 2HD ARG 22 -14.041 9.266 10.870 148 HE ARG 22 HE ARG 22 -16.754 8.450 10.622 149 HH11 ARG 22 2HH1 ARG 22 -14.484 9.934 12.805 150 HH12 ARG 22 1HH1 ARG 22 -15.694 10.828 13.663 151 HH21 ARG 22 2HH2 ARG 22 -18.357 9.623 11.745 152 HH22 ARG 22 1HH2 ARG 22 -17.897 10.650 13.060 153 H THR 23 H THR 23 -11.020 5.348 8.338 154 HA THR 23 HA THR 23 -9.194 6.462 6.370 155 HB THR 23 HB THR 23 -7.430 6.984 7.917 156 HG1 THR 23 1HG THR 23 -8.163 6.924 10.276 157 HG21 THR 23 1HG2 THR 23 -9.231 8.695 7.491 158 HG22 THR 23 2HG2 THR 23 -8.313 8.928 8.979 159 HG23 THR 23 3HG2 THR 23 -9.933 8.233 9.041 160 H ALA 24 H ALA 24 -7.005 5.269 6.541 161 HA ALA 24 HA ALA 24 -7.157 2.597 7.642 162 HB1 ALA 24 1HB ALA 24 -6.739 2.812 4.678 163 HB2 ALA 24 2HB ALA 24 -7.087 1.378 5.646 164 HB3 ALA 24 3HB ALA 24 -8.343 2.587 5.376 165 H LEU 25 H LEU 25 -5.199 1.991 8.307 166 HA LEU 25 HA LEU 25 -2.877 3.495 7.324 167 HB2 LEU 25 1HB LEU 25 -3.095 3.698 9.666 168 HB3 LEU 25 2HB LEU 25 -3.406 1.974 9.861 169 HG LEU 25 HG LEU 25 -0.933 1.823 8.881 170 HD11 LEU 25 1HD1 LEU 25 -1.286 4.617 9.543 171 HD12 LEU 25 2HD1 LEU 25 0.037 3.814 8.698 172 HD13 LEU 25 3HD1 LEU 25 0.030 3.884 10.460 173 HD21 LEU 25 1HD2 LEU 25 -1.602 0.819 10.951 174 HD22 LEU 25 2HD2 LEU 25 -1.719 2.395 11.734 175 HD23 LEU 25 3HD2 LEU 25 -0.144 1.770 11.242 176 H LEU 26 H LEU 26 -1.292 2.527 6.216 177 HA LEU 26 HA LEU 26 -1.361 -0.411 6.003 178 HB2 LEU 26 1HB LEU 26 -0.842 1.717 3.965 179 HB3 LEU 26 2HB LEU 26 -0.175 0.099 3.754 180 HG LEU 26 HG LEU 26 -3.102 0.402 4.243 181 HD11 LEU 26 1HD1 LEU 26 -3.401 0.565 1.763 182 HD12 LEU 26 2HD1 LEU 26 -1.689 0.973 1.647 183 HD13 LEU 26 3HD1 LEU 26 -2.788 2.028 2.535 184 HD21 LEU 26 1HD2 LEU 26 -3.137 -1.745 3.662 185 HD22 LEU 26 2HD2 LEU 26 -1.375 -1.711 3.728 186 HD23 LEU 26 3HD2 LEU 26 -2.207 -1.434 2.197 187 H THR 27 H THR 27 0.412 -1.480 6.590 188 HA THR 27 HA THR 27 2.931 0.030 6.851 189 HB THR 27 HB THR 27 3.478 -1.047 8.855 190 HG1 THR 27 1HG THR 27 2.429 -2.909 9.581 191 HG21 THR 27 1HG2 THR 27 0.760 -1.090 9.757 192 HG22 THR 27 2HG2 THR 27 0.988 0.263 8.649 193 HG23 THR 27 3HG2 THR 27 2.015 0.107 10.074 194 H TRP 28 H TRP 28 4.729 -0.858 5.993 195 HA TRP 28 HA TRP 28 4.544 -3.616 4.976 196 HB2 TRP 28 1HB TRP 28 5.765 -2.948 2.973 197 HB3 TRP 28 2HB TRP 28 4.291 -1.996 3.130 198 HD1 TRP 28 HD TRP 28 8.087 -1.675 3.204 199 HE1 TRP 28 1HE TRP 28 8.713 0.821 3.130 200 HE3 TRP 28 3HE TRP 28 3.428 0.346 3.789 201 HZ2 TRP 28 2HZ TRP 28 7.404 3.316 3.299 202 HZ3 TRP 28 3HZ TRP 28 3.201 2.796 3.823 203 HH2 TRP 28 HH TRP 28 5.149 4.249 3.583 204 H THR 29 H THR 29 6.803 -4.448 4.361 205 HA THR 29 HA THR 29 8.541 -3.960 6.653 206 HB THR 29 HB THR 29 8.656 -6.112 4.531 207 HG1 THR 29 1HG THR 29 6.950 -5.995 6.340 208 HG21 THR 29 1HG2 THR 29 10.114 -6.358 7.103 209 HG22 THR 29 2HG2 THR 29 10.799 -5.276 5.890 210 HG23 THR 29 3HG2 THR 29 10.527 -6.975 5.504 211 H GLU 30 H GLU 30 10.436 -2.926 6.539 212 HA GLU 30 HA GLU 30 11.183 -1.531 4.186 213 HB2 GLU 30 1HB GLU 30 11.687 -1.169 6.815 214 HB3 GLU 30 2HB GLU 30 13.211 -1.887 6.312 215 HG2 GLU 30 1HG GLU 30 12.987 -0.080 4.385 216 HG3 GLU 30 2HG GLU 30 12.023 0.733 5.616 217 HA PRO 31 HA PRO 31 13.473 -4.800 2.236 218 HB2 PRO 31 1HB PRO 31 14.464 -3.299 0.202 219 HB3 PRO 31 2HB PRO 31 12.792 -3.871 0.248 220 HG2 PRO 31 1HG PRO 31 13.895 -1.185 0.974 221 HG3 PRO 31 2HG PRO 31 12.432 -1.582 0.054 222 HD2 PRO 31 1HD PRO 31 12.364 -0.878 2.668 223 HD3 PRO 31 2HD PRO 31 11.203 -2.017 1.955 224 HA PRO 32 HA PRO 32 17.673 -4.414 3.480 225 HB2 PRO 32 1HB PRO 32 19.015 -5.616 1.449 226 HB3 PRO 32 2HB PRO 32 18.033 -6.512 2.614 227 HG2 PRO 32 1HG PRO 32 17.343 -5.628 -0.162 228 HG3 PRO 32 2HG PRO 32 17.020 -7.181 0.631 229 HD2 PRO 32 1HD PRO 32 15.133 -5.256 0.375 230 HD3 PRO 32 2HD PRO 32 15.183 -6.366 1.759 231 H VAL 33 H VAL 33 16.753 -3.119 0.384 232 HA VAL 33 HA VAL 33 19.154 -1.410 0.376 233 HB VAL 33 HB VAL 33 17.322 -2.009 -1.950 234 HG11 VAL 33 1HG1 VAL 33 18.374 -0.380 -3.030 235 HG12 VAL 33 2HG1 VAL 33 19.215 0.036 -1.536 236 HG13 VAL 33 3HG1 VAL 33 19.939 -1.107 -2.667 237 HG21 VAL 33 1HG2 VAL 33 18.563 -4.001 -1.205 238 HG22 VAL 33 2HG2 VAL 33 19.084 -3.446 -2.795 239 HG23 VAL 33 3HG2 VAL 33 20.073 -3.107 -1.375 240 H ARG 34 H ARG 34 18.441 0.240 1.692 241 HA ARG 34 HA ARG 34 15.961 1.420 1.799 242 HB2 ARG 34 1HB ARG 34 18.002 1.881 3.253 243 HB3 ARG 34 2HB ARG 34 18.524 2.994 1.995 244 HG2 ARG 34 1HG ARG 34 16.769 4.465 2.391 245 HG3 ARG 34 2HG ARG 34 15.814 3.245 3.237 246 HD2 ARG 34 1HD ARG 34 18.441 4.277 4.278 247 HD3 ARG 34 2HD ARG 34 16.896 5.028 4.674 248 HE ARG 34 HE ARG 34 16.678 2.314 5.246 249 HH11 ARG 34 2HH1 ARG 34 18.494 5.076 6.339 250 HH12 ARG 34 1HH1 ARG 34 18.668 4.485 7.958 251 HH21 ARG 34 2HH2 ARG 34 16.901 1.525 7.375 252 HH22 ARG 34 1HH2 ARG 34 17.763 2.464 8.546 253 HA PRO 35 HA PRO 35 15.811 2.989 -2.421 254 HB2 PRO 35 1HB PRO 35 13.165 3.589 -2.339 255 HB3 PRO 35 2HB PRO 35 13.771 1.951 -2.612 256 HG2 PRO 35 1HG PRO 35 12.753 3.199 -0.088 257 HG3 PRO 35 2HG PRO 35 12.433 1.583 -0.745 258 HD2 PRO 35 1HD PRO 35 14.229 2.022 1.233 259 HD3 PRO 35 2HD PRO 35 14.433 0.736 0.027 260 H ALA 36 H ALA 36 15.178 5.062 -3.372 261 HA ALA 36 HA ALA 36 16.014 7.255 -1.782 262 HB1 ALA 36 1HB ALA 36 15.893 6.777 -4.453 263 HB2 ALA 36 2HB ALA 36 14.552 7.904 -4.240 264 HB3 ALA 36 3HB ALA 36 16.177 8.360 -3.728 265 H GLY 37 H GLY 37 12.846 6.416 -3.191 266 HA2 GLY 37 1HA GLY 37 11.538 7.740 -0.946 267 HA3 GLY 37 2HA GLY 37 11.217 8.409 -2.539 268 H TYR 38 H TYR 38 9.064 7.609 -1.254 269 HA TYR 38 HA TYR 38 8.401 5.006 -2.466 270 HB2 TYR 38 1HB TYR 38 7.537 6.161 0.183 271 HB3 TYR 38 2HB TYR 38 6.679 4.834 -0.591 272 HD1 TYR 38 2HD TYR 38 8.201 2.795 -1.293 273 HD2 TYR 38 1HD TYR 38 9.232 5.664 1.675 274 HE1 TYR 38 2HE TYR 38 9.775 1.189 -0.296 275 HE2 TYR 38 1HE TYR 38 10.810 4.067 2.679 276 HH TYR 38 HH TYR 38 11.179 0.784 1.378 277 H LEU 39 H LEU 39 6.350 4.785 -3.388 278 HA LEU 39 HA LEU 39 4.803 7.269 -3.695 279 HB2 LEU 39 1HB LEU 39 6.293 6.578 -5.678 280 HB3 LEU 39 2HB LEU 39 5.118 5.286 -5.922 281 HG LEU 39 HG LEU 39 3.356 6.957 -6.254 282 HD11 LEU 39 1HD1 LEU 39 4.209 9.347 -6.649 283 HD12 LEU 39 2HD1 LEU 39 5.595 8.862 -5.672 284 HD13 LEU 39 3HD1 LEU 39 3.971 8.809 -4.986 285 HD21 LEU 39 1HD2 LEU 39 4.543 6.127 -8.194 286 HD22 LEU 39 2HD2 LEU 39 5.799 7.347 -7.981 287 HD23 LEU 39 3HD2 LEU 39 4.158 7.834 -8.410 288 H LEU 40 H LEU 40 3.068 6.790 -2.462 289 HA LEU 40 HA LEU 40 1.784 4.178 -2.755 290 HB2 LEU 40 1HB LEU 40 2.218 5.003 -0.493 291 HB3 LEU 40 2HB LEU 40 1.239 6.430 -0.825 292 HG LEU 40 HG LEU 40 -0.675 4.740 -1.230 293 HD11 LEU 40 1HD1 LEU 40 0.675 2.728 -1.269 294 HD12 LEU 40 2HD1 LEU 40 -0.460 2.676 0.079 295 HD13 LEU 40 3HD1 LEU 40 1.239 3.048 0.371 296 HD21 LEU 40 1HD2 LEU 40 -0.966 4.564 1.332 297 HD22 LEU 40 2HD2 LEU 40 -0.922 6.161 0.586 298 HD23 LEU 40 3HD2 LEU 40 0.508 5.529 1.404 299 H SER 41 H SER 41 0.290 3.997 -4.280 300 HA SER 41 HA SER 41 -1.431 6.322 -4.846 301 HB2 SER 41 1HB SER 41 -0.056 5.778 -6.772 302 HB3 SER 41 2HB SER 41 -0.557 4.089 -6.694 303 HG SER 41 HG SER 41 -2.768 5.009 -6.964 304 H PHE 42 H PHE 42 -3.312 6.036 -3.838 305 HA PHE 42 HA PHE 42 -4.501 3.346 -3.805 306 HB2 PHE 42 1HB PHE 42 -5.654 3.924 -1.837 307 HB3 PHE 42 2HB PHE 42 -4.055 4.628 -1.623 308 HD1 PHE 42 2HD PHE 42 -3.734 7.065 -1.907 309 HD2 PHE 42 1HD PHE 42 -7.595 5.274 -1.952 310 HE1 PHE 42 2HE PHE 42 -4.757 9.268 -1.513 311 HE2 PHE 42 1HE PHE 42 -8.624 7.474 -1.559 312 HZ PHE 42 HZ PHE 42 -7.205 9.474 -1.338 313 H HIS 43 H HIS 43 -6.143 2.970 -5.126 314 HA HIS 43 HA HIS 43 -7.938 5.180 -5.843 315 HB2 HIS 43 1HB HIS 43 -7.770 4.843 -8.120 316 HB3 HIS 43 2HB HIS 43 -6.115 4.503 -7.620 317 HD1 HIS 43 1HD HIS 43 -5.715 1.789 -7.143 318 HD2 HIS 43 2HD HIS 43 -8.815 2.900 -9.675 319 HE1 HIS 43 1HE HIS 43 -6.252 -0.266 -8.489 320 HE2 HIS 43 2HE HIS 43 -8.073 0.455 -10.073 321 H THR 44 H THR 44 -10.057 4.531 -6.488 322 HA THR 44 HA THR 44 -10.927 2.121 -5.135 323 HB THR 44 HB THR 44 -13.061 2.985 -5.144 324 HG1 THR 44 1HG THR 44 -13.947 3.866 -6.876 325 HG21 THR 44 1HG2 THR 44 -12.921 5.168 -4.387 326 HG22 THR 44 2HG2 THR 44 -11.731 5.624 -5.606 327 HG23 THR 44 3HG2 THR 44 -11.249 4.631 -4.231 328 HA PRO 45 HA PRO 45 -11.354 -0.469 -8.657 329 HB2 PRO 45 1HB PRO 45 -13.514 -1.951 -7.943 330 HB3 PRO 45 2HB PRO 45 -11.924 -2.149 -7.196 331 HG2 PRO 45 1HG PRO 45 -14.312 -0.647 -6.196 332 HG3 PRO 45 2HG PRO 45 -13.207 -1.711 -5.307 333 HD2 PRO 45 1HD PRO 45 -13.023 0.989 -5.209 334 HD3 PRO 45 2HD PRO 45 -11.603 -0.070 -5.086 335 H GLY 46 H GLY 46 -13.405 2.032 -8.055 336 HA2 GLY 46 1HA GLY 46 -14.635 1.781 -10.673 337 HA3 GLY 46 2HA GLY 46 -15.756 1.785 -9.319 338 H GLY 47 H GLY 47 -12.757 3.624 -9.457 339 HA2 GLY 47 1HA GLY 47 -14.176 6.080 -10.100 340 HA3 GLY 47 2HA GLY 47 -13.541 5.976 -8.465 341 H GLN 48 H GLN 48 -12.355 7.924 -9.222 342 HA GLN 48 HA GLN 48 -10.267 7.600 -11.154 343 HB2 GLN 48 1HB GLN 48 -11.524 9.765 -10.266 344 HB3 GLN 48 2HB GLN 48 -10.179 9.789 -9.134 345 HG2 GLN 48 1HG GLN 48 -8.621 10.185 -10.777 346 HG3 GLN 48 2HG GLN 48 -9.634 9.503 -12.049 347 HE21 GLN 48 1HE2 GLN 48 -11.795 10.760 -12.261 348 HE22 GLN 48 2HE2 GLN 48 -11.633 12.477 -12.347 349 H THR 49 H THR 49 -7.976 8.424 -10.356 350 HA THR 49 HA THR 49 -7.252 6.819 -7.991 351 HB THR 49 HB THR 49 -5.776 7.107 -10.608 352 HG1 THR 49 1HG THR 49 -7.422 5.428 -10.295 353 HG21 THR 49 1HG2 THR 49 -4.006 5.709 -9.525 354 HG22 THR 49 2HG2 THR 49 -4.792 6.009 -7.975 355 HG23 THR 49 3HG2 THR 49 -4.114 7.352 -8.894 356 H GLN 50 H GLN 50 -5.469 7.556 -6.744 357 HA GLN 50 HA GLN 50 -4.633 10.327 -7.248 358 HB2 GLN 50 1HB GLN 50 -6.441 10.341 -5.573 359 HB3 GLN 50 2HB GLN 50 -5.514 9.231 -4.571 360 HG2 GLN 50 1HG GLN 50 -5.199 11.370 -3.650 361 HG3 GLN 50 2HG GLN 50 -3.707 10.981 -4.505 362 HE21 GLN 50 1HE2 GLN 50 -2.907 12.588 -5.631 363 HE22 GLN 50 2HE2 GLN 50 -3.803 13.867 -6.372 364 H GLU 51 H GLU 51 -2.611 10.920 -6.332 365 HA GLU 51 HA GLU 51 -0.945 8.630 -5.517 366 HB2 GLU 51 1HB GLU 51 -0.073 10.987 -7.197 367 HB3 GLU 51 2HB GLU 51 0.931 9.627 -6.714 368 HG2 GLU 51 1HG GLU 51 0.383 9.049 -8.859 369 HG3 GLU 51 2HG GLU 51 -0.867 8.209 -7.943 370 H ILE 52 H ILE 52 0.461 8.928 -3.843 371 HA ILE 52 HA ILE 52 0.580 11.605 -2.631 372 HB ILE 52 HB ILE 52 0.182 9.021 -1.118 373 HG12 ILE 52 1HG1 ILE 52 -1.647 11.359 -1.677 374 HG13 ILE 52 2HG1 ILE 52 -1.898 9.672 -2.111 375 HG21 ILE 52 1HG2 ILE 52 0.074 11.737 0.116 376 HG22 ILE 52 2HG2 ILE 52 0.416 10.177 0.862 377 HG23 ILE 52 3HG2 ILE 52 1.634 10.957 -0.147 378 HD11 ILE 52 1HD1 ILE 52 -3.130 9.527 -0.276 379 HD12 ILE 52 2HD1 ILE 52 -1.621 9.610 0.633 380 HD13 ILE 52 3HD1 ILE 52 -2.550 11.078 0.329 381 H LEU 53 H LEU 53 2.633 12.224 -2.710 382 HA LEU 53 HA LEU 53 4.812 10.405 -2.931 383 HB2 LEU 53 1HB LEU 53 4.597 12.840 -3.768 384 HB3 LEU 53 2HB LEU 53 5.099 13.279 -2.137 385 HG LEU 53 HG LEU 53 7.002 13.340 -3.606 386 HD11 LEU 53 1HD1 LEU 53 8.476 11.732 -2.470 387 HD12 LEU 53 2HD1 LEU 53 7.058 10.925 -1.803 388 HD13 LEU 53 3HD1 LEU 53 7.422 12.588 -1.345 389 HD21 LEU 53 1HD2 LEU 53 6.020 11.711 -5.260 390 HD22 LEU 53 2HD2 LEU 53 6.567 10.420 -4.190 391 HD23 LEU 53 3HD2 LEU 53 7.740 11.514 -4.923 392 H LEU 54 H LEU 54 5.282 9.123 -1.251 393 HA LEU 54 HA LEU 54 5.139 10.147 1.469 394 HB2 LEU 54 1HB LEU 54 5.759 7.410 0.373 395 HB3 LEU 54 2HB LEU 54 5.719 7.805 2.090 396 HG LEU 54 HG LEU 54 3.466 7.516 0.153 397 HD11 LEU 54 1HD1 LEU 54 3.393 5.632 1.355 398 HD12 LEU 54 2HD1 LEU 54 2.674 6.638 2.612 399 HD13 LEU 54 3HD1 LEU 54 4.404 6.296 2.639 400 HD21 LEU 54 1HD2 LEU 54 3.327 9.111 2.709 401 HD22 LEU 54 2HD2 LEU 54 1.966 8.676 1.674 402 HD23 LEU 54 3HD2 LEU 54 3.214 9.773 1.078 403 HA PRO 55 HA PRO 55 9.432 11.067 1.789 404 HB2 PRO 55 1HB PRO 55 9.717 10.862 4.481 405 HB3 PRO 55 2HB PRO 55 8.889 12.217 3.703 406 HG2 PRO 55 1HG PRO 55 7.729 9.778 4.995 407 HG3 PRO 55 2HG PRO 55 7.200 11.467 5.114 408 HD2 PRO 55 1HD PRO 55 5.980 9.668 3.499 409 HD3 PRO 55 2HD PRO 55 6.092 11.393 3.094 410 H GLY 56 H GLY 56 10.775 9.549 0.976 411 HA2 GLY 56 1HA GLY 56 10.868 6.853 1.498 412 HA3 GLY 56 2HA GLY 56 12.264 7.796 0.996 413 H GLY 57 H GLY 57 10.895 5.947 3.465 414 HA2 GLY 57 1HA GLY 57 12.835 5.335 5.055 415 HA3 GLY 57 2HA GLY 57 12.741 7.038 5.480 416 H ILE 58 H ILE 58 9.976 4.994 4.746 417 HA ILE 58 HA ILE 58 9.270 4.922 7.592 418 HB ILE 58 HB ILE 58 7.127 5.793 7.311 419 HG12 ILE 58 1HG1 ILE 58 7.521 5.512 4.324 420 HG13 ILE 58 2HG1 ILE 58 6.485 4.512 5.336 421 HG21 ILE 58 1HG2 ILE 58 8.981 7.351 5.519 422 HG22 ILE 58 2HG2 ILE 58 7.433 7.955 6.108 423 HG23 ILE 58 3HG2 ILE 58 8.722 7.575 7.249 424 HD11 ILE 58 1HD1 ILE 58 4.840 5.890 4.787 425 HD12 ILE 58 2HD1 ILE 58 5.613 7.088 5.826 426 HD13 ILE 58 3HD1 ILE 58 5.957 7.066 4.097 427 H THR 59 H THR 59 7.564 3.367 8.090 428 HA THR 59 HA THR 59 7.334 1.226 6.080 429 HB THR 59 HB THR 59 7.456 -0.436 7.923 430 HG1 THR 59 1HG THR 59 8.581 1.553 9.572 431 HG21 THR 59 1HG2 THR 59 9.537 -0.543 7.101 432 HG22 THR 59 2HG2 THR 59 10.015 0.445 8.481 433 HG23 THR 59 3HG2 THR 59 9.645 1.209 6.935 434 H SER 60 H SER 60 5.590 3.482 7.327 435 HA SER 60 HA SER 60 3.134 2.052 7.165 436 HB2 SER 60 1HB SER 60 2.370 2.614 9.503 437 HB3 SER 60 2HB SER 60 3.601 1.355 9.413 438 HG SER 60 HG SER 60 4.856 2.575 10.559 439 H HIS 61 H HIS 61 1.507 3.398 6.616 440 HA HIS 61 HA HIS 61 1.778 6.260 7.166 441 HB2 HIS 61 1HB HIS 61 2.618 5.452 4.791 442 HB3 HIS 61 2HB HIS 61 0.895 5.454 4.428 443 HD1 HIS 61 1HD HIS 61 0.379 7.529 3.199 444 HD2 HIS 61 2HD HIS 61 3.099 8.196 6.268 445 HE1 HIS 61 1HE HIS 61 0.814 10.005 3.185 446 HE2 HIS 61 2HE HIS 61 2.527 10.374 4.995 447 H GLN 62 H GLN 62 -0.176 7.408 7.201 448 HA GLN 62 HA GLN 62 -2.539 5.696 7.485 449 HB2 GLN 62 1HB GLN 62 -2.069 6.987 9.452 450 HB3 GLN 62 2HB GLN 62 -1.918 8.466 8.513 451 HG2 GLN 62 1HG GLN 62 -4.007 8.741 9.369 452 HG3 GLN 62 2HG GLN 62 -4.398 7.924 7.856 453 HE21 GLN 62 1HE2 GLN 62 -5.591 6.151 7.953 454 HE22 GLN 62 2HE2 GLN 62 -5.935 5.245 9.383 455 H LEU 63 H LEU 63 -4.278 5.889 6.198 456 HA LEU 63 HA LEU 63 -4.172 7.944 4.096 457 HB2 LEU 63 1HB LEU 63 -5.379 5.195 4.181 458 HB3 LEU 63 2HB LEU 63 -5.818 6.371 2.943 459 HG LEU 63 HG LEU 63 -3.001 5.404 3.405 460 HD11 LEU 63 1HD1 LEU 63 -4.874 4.495 1.236 461 HD12 LEU 63 2HD1 LEU 63 -4.624 3.596 2.732 462 HD13 LEU 63 3HD1 LEU 63 -3.273 3.867 1.631 463 HD21 LEU 63 1HD2 LEU 63 -2.557 7.162 2.103 464 HD22 LEU 63 2HD2 LEU 63 -4.256 7.398 1.693 465 HD23 LEU 63 3HD2 LEU 63 -3.286 6.227 0.797 466 H LEU 64 H LEU 64 -5.562 9.562 4.260 467 HA LEU 64 HA LEU 64 -7.999 9.179 5.860 468 HB2 LEU 64 1HB LEU 64 -6.378 11.611 5.171 469 HB3 LEU 64 2HB LEU 64 -8.019 11.735 5.801 470 HG LEU 64 HG LEU 64 -7.066 10.259 7.743 471 HD11 LEU 64 1HD1 LEU 64 -4.785 10.469 6.214 472 HD12 LEU 64 2HD1 LEU 64 -4.861 9.999 7.912 473 HD13 LEU 64 3HD1 LEU 64 -4.545 11.678 7.476 474 HD21 LEU 64 1HD2 LEU 64 -6.681 13.201 7.303 475 HD22 LEU 64 2HD2 LEU 64 -6.232 12.431 8.825 476 HD23 LEU 64 3HD2 LEU 64 -7.905 12.374 8.267 477 H GLY 65 H GLY 65 -9.994 10.072 5.113 478 HA2 GLY 65 1HA GLY 65 -11.519 10.805 3.520 479 HA3 GLY 65 2HA GLY 65 -10.189 11.030 2.393 480 H LEU 66 H LEU 66 -12.080 8.473 3.982 481 HA LEU 66 HA LEU 66 -11.910 6.938 1.475 482 HB2 LEU 66 1HB LEU 66 -11.950 5.793 4.262 483 HB3 LEU 66 2HB LEU 66 -11.865 4.881 2.757 484 HG LEU 66 HG LEU 66 -9.724 6.738 3.794 485 HD11 LEU 66 1HD1 LEU 66 -9.455 3.774 3.562 486 HD12 LEU 66 2HD1 LEU 66 -10.221 4.479 4.986 487 HD13 LEU 66 3HD1 LEU 66 -8.561 4.910 4.574 488 HD21 LEU 66 1HD2 LEU 66 -9.853 6.561 1.330 489 HD22 LEU 66 2HD2 LEU 66 -9.674 4.812 1.473 490 HD23 LEU 66 3HD2 LEU 66 -8.369 5.879 1.996 491 H PHE 67 H PHE 67 -13.640 4.988 1.794 492 HA PHE 67 HA PHE 67 -16.169 6.285 2.573 493 HB2 PHE 67 1HB PHE 67 -15.629 4.469 0.216 494 HB3 PHE 67 2HB PHE 67 -17.237 4.973 0.728 495 HD1 PHE 67 2HD PHE 67 -16.760 7.802 1.398 496 HD2 PHE 67 1HD PHE 67 -15.352 5.456 -1.863 497 HE1 PHE 67 2HE PHE 67 -16.559 9.835 0.027 498 HE2 PHE 67 1HE PHE 67 -15.147 7.486 -3.239 499 HZ PHE 67 HZ PHE 67 -15.752 9.679 -2.294 500 HA PRO 68 HA PRO 68 -17.008 2.825 5.144 501 HB2 PRO 68 1HB PRO 68 -19.719 2.756 5.027 502 HB3 PRO 68 2HB PRO 68 -18.827 4.000 5.911 503 HG2 PRO 68 1HG PRO 68 -20.059 4.128 3.186 504 HG3 PRO 68 2HG PRO 68 -20.081 5.338 4.482 505 HD2 PRO 68 1HD PRO 68 -18.398 5.500 2.367 506 HD3 PRO 68 2HD PRO 68 -17.963 6.097 3.980 507 H SER 69 H SER 69 -16.830 0.710 4.782 508 HA SER 69 HA SER 69 -16.887 -1.318 3.748 509 HB2 SER 69 1HB SER 69 -19.303 -1.034 4.402 510 HB3 SER 69 2HB SER 69 -19.614 -0.446 2.769 511 HG SER 69 HG SER 69 -20.011 -2.713 3.033 512 H THR 70 H THR 70 -15.701 0.845 2.287 513 HA THR 70 HA THR 70 -16.335 0.104 -0.491 514 HB THR 70 HB THR 70 -14.967 2.580 0.575 515 HG1 THR 70 1HG THR 70 -17.419 2.201 0.563 516 HG21 THR 70 1HG2 THR 70 -15.338 1.533 -2.209 517 HG22 THR 70 2HG2 THR 70 -13.905 2.246 -1.467 518 HG23 THR 70 3HG2 THR 70 -15.272 3.269 -1.907 519 H SER 71 H SER 71 -14.959 -1.236 -1.438 520 HA SER 71 HA SER 71 -12.470 -1.959 -0.275 521 HB2 SER 71 1HB SER 71 -13.937 -3.445 -1.707 522 HB3 SER 71 2HB SER 71 -13.361 -2.538 -3.105 523 HG SER 71 HG SER 71 -12.220 -4.601 -2.190 524 H TYR 72 H TYR 72 -10.414 -1.374 -0.771 525 HA TYR 72 HA TYR 72 -10.030 0.593 -2.923 526 HB2 TYR 72 1HB TYR 72 -9.163 0.782 -0.051 527 HB3 TYR 72 2HB TYR 72 -8.287 1.636 -1.316 528 HD1 TYR 72 2HD TYR 72 -9.318 3.498 -2.505 529 HD2 TYR 72 1HD TYR 72 -11.396 1.461 0.599 530 HE1 TYR 72 2HE TYR 72 -10.940 5.343 -2.388 531 HE2 TYR 72 1HE TYR 72 -13.024 3.300 0.724 532 HH TYR 72 HH TYR 72 -13.855 5.112 -0.533 533 H ASN 73 H ASN 73 -7.828 0.745 -3.709 534 HA ASN 73 HA ASN 73 -6.235 -1.676 -3.182 535 HB2 ASN 73 1HB ASN 73 -7.445 -1.789 -5.366 536 HB3 ASN 73 2HB ASN 73 -6.573 -0.347 -5.879 537 HD21 ASN 73 1HD2 ASN 73 -4.823 -0.692 -7.023 538 HD22 ASN 73 2HD2 ASN 73 -3.854 -2.123 -7.001 539 H ALA 74 H ALA 74 -4.507 -0.973 -2.097 540 HA ALA 74 HA ALA 74 -3.266 1.571 -2.855 541 HB1 ALA 74 1HB ALA 74 -2.454 -0.107 -0.506 542 HB2 ALA 74 2HB ALA 74 -2.272 1.631 -0.745 543 HB3 ALA 74 3HB ALA 74 -3.867 0.946 -0.439 544 H ARG 75 H ARG 75 -1.263 1.717 -3.720 545 HA ARG 75 HA ARG 75 0.231 -0.793 -4.109 546 HB2 ARG 75 1HB ARG 75 -0.770 -0.141 -6.218 547 HB3 ARG 75 2HB ARG 75 -0.135 1.490 -6.055 548 HG2 ARG 75 1HG ARG 75 2.166 0.183 -5.944 549 HG3 ARG 75 2HG ARG 75 1.235 -1.013 -6.848 550 HD2 ARG 75 1HD ARG 75 2.033 0.242 -8.580 551 HD3 ARG 75 2HD ARG 75 0.534 1.110 -8.250 552 HE ARG 75 HE ARG 75 2.629 2.205 -6.714 553 HH11 ARG 75 2HH1 ARG 75 1.477 2.020 -9.994 554 HH12 ARG 75 1HH1 ARG 75 2.175 3.534 -10.463 555 HH21 ARG 75 2HH2 ARG 75 3.553 4.201 -7.319 556 HH22 ARG 75 1HH2 ARG 75 3.356 4.774 -8.941 557 H LEU 76 H LEU 76 2.328 -0.771 -3.555 558 HA LEU 76 HA LEU 76 3.498 1.817 -2.775 559 HB2 LEU 76 1HB LEU 76 3.104 0.118 -0.973 560 HB3 LEU 76 2HB LEU 76 4.285 -0.914 -1.777 561 HG LEU 76 HG LEU 76 5.875 1.126 -1.469 562 HD11 LEU 76 1HD1 LEU 76 4.330 1.673 0.989 563 HD12 LEU 76 2HD1 LEU 76 3.705 2.358 -0.511 564 HD13 LEU 76 3HD1 LEU 76 5.342 2.743 0.019 565 HD21 LEU 76 1HD2 LEU 76 5.300 -0.148 1.137 566 HD22 LEU 76 2HD2 LEU 76 6.817 -0.013 0.247 567 HD23 LEU 76 3HD2 LEU 76 5.624 -1.226 -0.221 568 H GLN 77 H GLN 77 5.012 2.536 -4.105 569 HA GLN 77 HA GLN 77 6.852 0.604 -5.335 570 HB2 GLN 77 1HB GLN 77 4.931 1.659 -6.834 571 HB3 GLN 77 2HB GLN 77 6.055 3.010 -6.905 572 HG2 GLN 77 1HG GLN 77 7.740 1.661 -7.896 573 HG3 GLN 77 2HG GLN 77 6.814 0.189 -7.608 574 HE21 GLN 77 1HE2 GLN 77 7.652 0.500 -10.076 575 HE22 GLN 77 2HE2 GLN 77 6.381 0.991 -11.138 576 H ALA 78 H ALA 78 8.851 1.050 -4.720 577 HA ALA 78 HA ALA 78 9.520 3.735 -3.795 578 HB1 ALA 78 1HB ALA 78 10.306 1.112 -3.053 579 HB2 ALA 78 2HB ALA 78 11.742 1.980 -3.598 580 HB3 ALA 78 3HB ALA 78 10.747 2.647 -2.304 581 H MET 79 H MET 79 11.181 4.981 -4.642 582 HA MET 79 HA MET 79 11.791 4.456 -7.432 583 HB2 MET 79 1HB MET 79 12.692 6.843 -5.833 584 HB3 MET 79 2HB MET 79 12.473 6.719 -7.573 585 HG2 MET 79 1HG MET 79 10.032 6.448 -7.181 586 HG3 MET 79 2HG MET 79 10.323 6.766 -5.472 587 HE1 MET 79 1HE MET 79 8.917 9.622 -5.340 588 HE2 MET 79 2HE MET 79 10.011 8.532 -4.490 589 HE3 MET 79 3HE MET 79 10.534 10.167 -4.895 590 H TRP 80 H TRP 80 13.614 3.547 -8.100 591 HA TRP 80 HA TRP 80 15.955 3.621 -6.310 592 HB2 TRP 80 1HB TRP 80 14.790 1.385 -7.924 593 HB3 TRP 80 2HB TRP 80 16.527 1.422 -7.635 594 HD1 TRP 80 HD TRP 80 17.352 1.117 -5.083 595 HE1 TRP 80 1HE TRP 80 16.205 0.033 -3.050 596 HE3 TRP 80 3HE TRP 80 12.545 1.017 -6.820 597 HZ2 TRP 80 2HZ TRP 80 13.607 -0.761 -2.284 598 HZ3 TRP 80 3HZ TRP 80 10.788 0.079 -5.376 599 HH2 TRP 80 HH TRP 80 11.310 -0.792 -3.155 600 H GLY 81 H GLY 81 18.051 3.523 -7.379 601 HA2 GLY 81 1HA GLY 81 18.530 5.447 -9.228 602 HA3 GLY 81 2HA GLY 81 19.557 4.031 -9.056 603 H GLN 82 H GLN 82 17.782 5.787 -11.205 604 HA GLN 82 HA GLN 82 16.691 5.311 -13.190 605 HB2 GLN 82 1HB GLN 82 19.310 5.198 -13.431 606 HB3 GLN 82 2HB GLN 82 19.001 3.498 -13.758 607 HG2 GLN 82 1HG GLN 82 19.062 4.495 -15.858 608 HG3 GLN 82 2HG GLN 82 17.344 4.307 -15.512 609 HE21 GLN 82 1HE2 GLN 82 19.946 6.521 -15.988 610 HE22 GLN 82 2HE2 GLN 82 18.997 7.965 -16.007 611 H SER 83 H SER 83 15.570 3.690 -11.276 612 HA SER 83 HA SER 83 14.658 1.490 -12.883 613 HB2 SER 83 1HB SER 83 16.362 1.007 -10.448 614 HB3 SER 83 2HB SER 83 15.164 -0.176 -10.972 615 HG SER 83 HG SER 83 17.004 0.849 -12.828 616 H LEU 84 H LEU 84 12.748 0.524 -12.071 617 HA LEU 84 HA LEU 84 11.572 1.832 -9.716 618 HB2 LEU 84 1HB LEU 84 10.301 1.445 -12.417 619 HB3 LEU 84 2HB LEU 84 9.388 1.834 -10.961 620 HG LEU 84 HG LEU 84 11.546 3.580 -12.141 621 HD11 LEU 84 1HD1 LEU 84 9.693 5.016 -12.876 622 HD12 LEU 84 2HD1 LEU 84 8.546 3.782 -12.357 623 HD13 LEU 84 3HD1 LEU 84 9.673 3.441 -13.670 624 HD21 LEU 84 1HD2 LEU 84 9.902 3.665 -9.700 625 HD22 LEU 84 2HD2 LEU 84 9.996 5.174 -10.609 626 HD23 LEU 84 3HD2 LEU 84 11.472 4.392 -10.041 627 H LEU 85 H LEU 85 12.333 -0.259 -8.800 628 HA LEU 85 HA LEU 85 11.677 -2.782 -9.382 629 HB2 LEU 85 1HB LEU 85 11.300 -1.488 -6.686 630 HB3 LEU 85 2HB LEU 85 11.386 -3.226 -6.968 631 HG LEU 85 HG LEU 85 13.604 -1.226 -7.392 632 HD11 LEU 85 1HD1 LEU 85 14.458 -1.847 -5.404 633 HD12 LEU 85 2HD1 LEU 85 13.900 -3.513 -5.562 634 HD13 LEU 85 3HD1 LEU 85 12.780 -2.254 -5.043 635 HD21 LEU 85 1HD2 LEU 85 13.874 -2.865 -9.068 636 HD22 LEU 85 2HD2 LEU 85 13.418 -4.171 -7.974 637 HD23 LEU 85 3HD2 LEU 85 14.957 -3.335 -7.758 638 HA PRO 86 HA PRO 86 7.330 -3.313 -9.707 639 HB2 PRO 86 1HB PRO 86 7.048 -5.858 -8.804 640 HB3 PRO 86 2HB PRO 86 7.766 -5.468 -10.372 641 HG2 PRO 86 1HG PRO 86 9.115 -6.134 -7.784 642 HG3 PRO 86 2HG PRO 86 9.503 -6.689 -9.423 643 HD2 PRO 86 1HD PRO 86 10.876 -4.705 -8.194 644 HD3 PRO 86 2HD PRO 86 10.625 -4.746 -9.951 645 HA PRO 87 HA PRO 87 6.053 -2.164 -5.551 646 HB2 PRO 87 1HB PRO 87 3.611 -1.243 -6.299 647 HB3 PRO 87 2HB PRO 87 5.095 -0.304 -6.501 648 HG2 PRO 87 1HG PRO 87 3.600 -1.941 -8.513 649 HG3 PRO 87 2HG PRO 87 4.334 -0.337 -8.698 650 HD2 PRO 87 1HD PRO 87 5.528 -2.597 -9.593 651 HD3 PRO 87 2HD PRO 87 6.450 -1.201 -8.999 652 H VAL 88 H VAL 88 4.134 -2.679 -4.195 653 HA VAL 88 HA VAL 88 3.024 -5.310 -4.925 654 HB VAL 88 HB VAL 88 2.680 -5.367 -2.300 655 HG11 VAL 88 1HG1 VAL 88 4.338 -6.918 -2.260 656 HG12 VAL 88 2HG1 VAL 88 4.238 -6.696 -4.008 657 HG13 VAL 88 3HG1 VAL 88 5.492 -5.868 -3.083 658 HG21 VAL 88 1HG2 VAL 88 3.556 -3.087 -1.971 659 HG22 VAL 88 2HG2 VAL 88 4.491 -4.299 -1.095 660 HG23 VAL 88 3HG2 VAL 88 5.119 -3.616 -2.595 661 H SER 89 H SER 89 0.932 -5.282 -5.376 662 HA SER 89 HA SER 89 -0.735 -3.118 -4.317 663 HB2 SER 89 1HB SER 89 -2.262 -3.572 -6.092 664 HB3 SER 89 2HB SER 89 -0.650 -3.635 -6.805 665 HG SER 89 HG SER 89 -2.528 -5.591 -6.589 666 H THR 90 H THR 90 -2.289 -3.453 -2.854 667 HA THR 90 HA THR 90 -3.174 -6.203 -2.320 668 HB THR 90 HB THR 90 -1.450 -5.644 -0.648 669 HG1 THR 90 1HG THR 90 -2.937 -5.933 1.224 670 HG21 THR 90 1HG2 THR 90 -2.340 -3.905 1.118 671 HG22 THR 90 2HG2 THR 90 -3.188 -3.248 -0.282 672 HG23 THR 90 3HG2 THR 90 -1.430 -3.372 -0.294 673 H SER 91 H SER 91 -5.268 -6.407 -1.497 674 HA SER 91 HA SER 91 -6.916 -3.990 -1.798 675 HB2 SER 91 1HB SER 91 -7.529 -6.919 -2.172 676 HB3 SER 91 2HB SER 91 -8.806 -5.712 -2.023 677 HG SER 91 HG SER 91 -8.346 -4.969 -3.956 678 H PHE 92 H PHE 92 -8.349 -3.374 -0.227 679 HA PHE 92 HA PHE 92 -8.719 -5.020 2.135 680 HB2 PHE 92 1HB PHE 92 -7.910 -3.367 3.702 681 HB3 PHE 92 2HB PHE 92 -6.622 -3.741 2.562 682 HD1 PHE 92 2HD PHE 92 -9.242 -1.257 3.376 683 HD2 PHE 92 1HD PHE 92 -5.634 -2.061 1.265 684 HE1 PHE 92 2HE PHE 92 -9.017 1.137 2.855 685 HE2 PHE 92 1HE PHE 92 -5.403 0.332 0.742 686 HZ PHE 92 HZ PHE 92 -7.096 1.934 1.536 687 H THR 93 H THR 93 -10.630 -4.644 3.146 688 HA THR 93 HA THR 93 -12.334 -2.555 1.970 689 HB THR 93 HB THR 93 -13.244 -4.961 3.555 690 HG1 THR 93 1HG THR 93 -13.882 -5.571 1.248 691 HG21 THR 93 1HG2 THR 93 -15.407 -4.412 2.927 692 HG22 THR 93 2HG2 THR 93 -14.872 -3.437 1.558 693 HG23 THR 93 3HG2 THR 93 -14.693 -2.823 3.201 694 H THR 94 H THR 94 -13.254 -1.005 3.202 695 HA THR 94 HA THR 94 -12.294 -0.710 5.918 696 HB THR 94 HB THR 94 -13.374 1.497 5.857 697 HG1 THR 94 1HG THR 94 -15.097 1.461 4.580 698 HG21 THR 94 1HG2 THR 94 -11.686 0.784 3.462 699 HG22 THR 94 2HG2 THR 94 -11.141 1.422 5.013 700 HG23 THR 94 3HG2 THR 94 -12.078 2.440 3.920 701 H GLY 95 H GLY 95 -13.637 -0.387 7.749 702 HA2 GLY 95 1HA GLY 95 -15.820 -2.181 7.922 703 HA3 GLY 95 2HA GLY 95 -15.340 -1.022 9.153 704 H GLY 96 H GLY 96 -17.527 -0.569 9.627 705 HA2 GLY 96 1HA GLY 96 -18.838 1.103 7.573 706 HA3 GLY 96 2HA GLY 96 -19.744 -0.002 8.596 707 H LEU 97 H LEU 97 -19.998 2.905 8.275 708 HA LEU 97 HA LEU 97 -18.924 4.284 10.473 709 HB2 LEU 97 1HB LEU 97 -21.406 4.746 8.837 710 HB3 LEU 97 2HB LEU 97 -20.860 5.857 10.091 711 HG LEU 97 HG LEU 97 -19.223 5.121 7.668 712 HD11 LEU 97 1HD1 LEU 97 -21.360 7.124 8.058 713 HD12 LEU 97 2HD1 LEU 97 -20.819 6.307 6.592 714 HD13 LEU 97 3HD1 LEU 97 -19.900 7.670 7.232 715 HD21 LEU 97 1HD2 LEU 97 -18.588 7.646 8.780 716 HD22 LEU 97 2HD2 LEU 97 -17.585 6.197 8.704 717 HD23 LEU 97 3HD2 LEU 97 -18.629 6.475 10.099 718 H ARG 98 H ARG 98 -19.143 3.394 12.455 719 HA ARG 98 HA ARG 98 -21.708 2.347 13.326 720 HB2 ARG 98 1HB ARG 98 -19.394 1.336 13.854 721 HB3 ARG 98 2HB ARG 98 -19.254 2.625 15.043 722 HG2 ARG 98 1HG ARG 98 -20.073 0.893 16.311 723 HG3 ARG 98 2HG ARG 98 -21.553 1.749 15.876 724 HD2 ARG 98 1HD ARG 98 -20.545 -0.470 14.146 725 HD3 ARG 98 2HD ARG 98 -21.424 -0.841 15.629 726 HE ARG 98 HE ARG 98 -23.079 0.892 14.457 727 HH11 ARG 98 2HH1 ARG 98 -21.390 -1.874 13.186 728 HH12 ARG 98 1HH1 ARG 98 -22.602 -2.233 12.001 729 HH21 ARG 98 2HH2 ARG 98 -24.681 0.430 12.901 730 HH22 ARG 98 1HH2 ARG 98 -24.473 -0.921 11.839 731 H ILE 99 H ILE 99 -22.921 3.159 15.040 732 HA ILE 99 HA ILE 99 -22.367 5.975 15.698 733 HB ILE 99 HB ILE 99 -24.937 5.726 16.415 734 HG12 ILE 99 1HG1 ILE 99 -26.079 4.413 14.592 735 HG13 ILE 99 2HG1 ILE 99 -24.507 3.736 14.181 736 HG21 ILE 99 1HG2 ILE 99 -23.575 6.538 13.921 737 HG22 ILE 99 2HG2 ILE 99 -25.330 6.378 13.850 738 HG23 ILE 99 3HG2 ILE 99 -24.591 7.474 15.018 739 HD11 ILE 99 1HD1 ILE 99 -24.474 2.376 15.982 740 HD12 ILE 99 2HD1 ILE 99 -25.358 3.514 16.999 741 HD13 ILE 99 3HD1 ILE 99 -26.222 2.533 15.815 742 H SER 100 H SER 100 -22.824 6.719 17.833 743 HA SER 100 HA SER 100 -22.327 6.546 20.072 744 HB2 SER 100 1HB SER 100 -24.167 5.794 21.247 745 HB3 SER 100 2HB SER 100 -24.866 5.934 19.634 746 HG SER 100 HG SER 100 -25.198 3.869 19.668 747 H GLY 101 H GLY 101 -20.707 4.808 18.389 748 HA2 GLY 101 1HA GLY 101 -19.065 3.235 18.735 749 HA3 GLY 101 2HA GLY 101 -19.520 3.229 20.432 750 HA PRO 102 HA PRO 102 -20.963 -0.650 18.020 751 HB2 PRO 102 1HB PRO 102 -18.937 -2.350 18.632 752 HB3 PRO 102 2HB PRO 102 -18.944 -1.349 17.175 753 HG2 PRO 102 1HG PRO 102 -17.546 -0.890 19.781 754 HG3 PRO 102 2HG PRO 102 -16.940 -0.659 18.131 755 HD2 PRO 102 1HD PRO 102 -17.815 1.396 19.662 756 HD3 PRO 102 2HD PRO 102 -17.991 1.380 17.896 757 H SER 103 H SER 103 -19.031 -0.646 21.021 758 HA SER 103 HA SER 103 -21.294 -1.504 22.573 759 HB2 SER 103 1HB SER 103 -20.217 -3.590 23.399 760 HB3 SER 103 2HB SER 103 -20.629 -3.668 21.686 761 HG SER 103 HG SER 103 -18.071 -3.149 22.801 762 H SER 104 H SER 104 -21.124 -0.234 24.287 763 HA SER 104 HA SER 104 -18.771 1.054 25.112 764 HB2 SER 104 1HB SER 104 -21.484 0.666 26.323 765 HB3 SER 104 2HB SER 104 -20.194 1.361 27.303 766 HG SER 104 HG SER 104 -20.912 3.128 26.363 767 H GLY 105 H GLY 105 -17.053 -0.209 25.619 768 HA2 GLY 105 1HA GLY 105 -17.455 -2.238 27.728 769 HA3 GLY 105 2HA GLY 105 -16.201 -2.326 26.500 Start of MODEL 14 1 H1 GLY 1 H GLY 1 14.825 -17.372 -15.166 2 HA2 GLY 1 1HA GLY 1 13.383 -17.162 -13.032 3 HA3 GLY 1 2HA GLY 1 14.526 -18.340 -12.403 4 H SER 2 H SER 2 16.505 -17.680 -11.703 5 HA SER 2 HA SER 2 17.533 -15.065 -12.333 6 HB2 SER 2 1HB SER 2 16.219 -15.636 -9.710 7 HB3 SER 2 2HB SER 2 17.656 -14.615 -9.724 8 HG SER 2 HG SER 2 15.674 -14.051 -11.597 9 H SER 3 H SER 3 19.701 -15.021 -12.163 10 HA SER 3 HA SER 3 21.004 -17.198 -10.665 11 HB2 SER 3 1HB SER 3 21.013 -17.438 -13.215 12 HB3 SER 3 2HB SER 3 22.102 -16.051 -13.231 13 HG SER 3 HG SER 3 23.216 -18.067 -13.197 14 H GLY 4 H GLY 4 21.400 -15.852 -8.890 15 HA2 GLY 4 1HA GLY 4 23.321 -14.774 -7.886 16 HA3 GLY 4 2HA GLY 4 23.517 -13.856 -9.372 17 H SER 5 H SER 5 21.133 -14.392 -6.780 18 HA SER 5 HA SER 5 19.467 -12.287 -7.089 19 HB2 SER 5 1HB SER 5 19.098 -12.296 -4.689 20 HB3 SER 5 2HB SER 5 19.346 -13.953 -5.240 21 HG SER 5 HG SER 5 21.525 -13.760 -4.528 22 H SER 6 H SER 6 19.384 -10.115 -6.503 23 HA SER 6 HA SER 6 22.001 -8.815 -6.377 24 HB2 SER 6 1HB SER 6 19.243 -7.812 -7.086 25 HB3 SER 6 2HB SER 6 20.616 -6.728 -6.862 26 HG SER 6 HG SER 6 19.971 -7.987 -9.045 27 H GLY 7 H GLY 7 22.684 -7.619 -4.683 28 HA2 GLY 7 1HA GLY 7 21.884 -8.007 -2.124 29 HA3 GLY 7 2HA GLY 7 22.643 -6.513 -2.653 30 H LEU 8 H LEU 8 20.608 -5.515 -4.297 31 HA LEU 8 HA LEU 8 18.924 -4.317 -2.348 32 HB2 LEU 8 1HB LEU 8 19.434 -2.940 -4.144 33 HB3 LEU 8 2HB LEU 8 19.118 -4.206 -5.329 34 HG LEU 8 HG LEU 8 16.692 -3.980 -4.843 35 HD11 LEU 8 1HD1 LEU 8 17.742 -2.165 -2.804 36 HD12 LEU 8 2HD1 LEU 8 16.202 -3.021 -2.882 37 HD13 LEU 8 3HD1 LEU 8 16.409 -1.500 -3.749 38 HD21 LEU 8 1HD2 LEU 8 17.695 -2.841 -6.748 39 HD22 LEU 8 2HD2 LEU 8 18.097 -1.460 -5.726 40 HD23 LEU 8 3HD2 LEU 8 16.409 -1.864 -6.040 41 H GLU 9 H GLU 9 16.752 -4.580 -1.945 42 HA GLU 9 HA GLU 9 15.353 -6.743 -3.346 43 HB2 GLU 9 1HB GLU 9 15.417 -6.467 -0.336 44 HB3 GLU 9 2HB GLU 9 14.553 -7.692 -1.256 45 HG2 GLU 9 1HG GLU 9 16.670 -8.593 -2.060 46 HG3 GLU 9 2HG GLU 9 17.542 -7.360 -1.151 47 H ALA 10 H ALA 10 12.975 -6.779 -2.666 48 HA ALA 10 HA ALA 10 12.029 -3.996 -2.538 49 HB1 ALA 10 1HB ALA 10 9.901 -5.597 -3.355 50 HB2 ALA 10 2HB ALA 10 10.889 -4.542 -4.366 51 HB3 ALA 10 3HB ALA 10 11.310 -6.245 -4.194 52 HA PRO 11 HA PRO 11 9.790 -4.610 1.185 53 HB2 PRO 11 1HB PRO 11 7.363 -3.506 0.675 54 HB3 PRO 11 2HB PRO 11 8.832 -2.545 0.877 55 HG2 PRO 11 1HG PRO 11 7.467 -3.409 -1.642 56 HG3 PRO 11 2HG PRO 11 8.170 -1.833 -1.235 57 HD2 PRO 11 1HD PRO 11 9.455 -3.645 -2.784 58 HD3 PRO 11 2HD PRO 11 10.316 -2.528 -1.706 59 H ARG 12 H ARG 12 8.002 -5.701 2.234 60 HA ARG 12 HA ARG 12 6.249 -7.363 0.661 61 HB2 ARG 12 1HB ARG 12 7.048 -9.492 1.430 62 HB3 ARG 12 2HB ARG 12 8.396 -8.638 0.692 63 HG2 ARG 12 1HG ARG 12 8.020 -8.376 3.624 64 HG3 ARG 12 2HG ARG 12 8.638 -9.904 2.991 65 HD2 ARG 12 1HD ARG 12 9.832 -7.285 2.155 66 HD3 ARG 12 2HD ARG 12 10.319 -8.065 3.659 67 HE ARG 12 HE ARG 12 10.454 -9.866 1.463 68 HH11 ARG 12 2HH1 ARG 12 12.113 -7.214 2.990 69 HH12 ARG 12 1HH1 ARG 12 13.674 -7.682 2.403 70 HH21 ARG 12 2HH2 ARG 12 12.504 -10.493 0.684 71 HH22 ARG 12 1HH2 ARG 12 13.896 -9.547 1.091 72 H ASP 13 H ASP 13 5.107 -8.981 2.288 73 HA ASP 13 HA ASP 13 3.644 -9.174 4.019 74 HB2 ASP 13 1HB ASP 13 5.727 -9.331 5.331 75 HB3 ASP 13 2HB ASP 13 5.735 -7.579 5.515 76 H LEU 14 H LEU 14 3.259 -7.017 2.199 77 HA LEU 14 HA LEU 14 2.522 -4.674 3.698 78 HB2 LEU 14 1HB LEU 14 3.244 -4.293 1.486 79 HB3 LEU 14 2HB LEU 14 2.161 -5.523 0.840 80 HG LEU 14 HG LEU 14 0.296 -3.906 1.739 81 HD11 LEU 14 1HD1 LEU 14 2.487 -1.929 1.164 82 HD12 LEU 14 2HD1 LEU 14 2.040 -2.419 2.798 83 HD13 LEU 14 3HD1 LEU 14 0.859 -1.614 1.765 84 HD21 LEU 14 1HD2 LEU 14 1.011 -2.556 -0.567 85 HD22 LEU 14 2HD2 LEU 14 0.007 -4.002 -0.467 86 HD23 LEU 14 3HD2 LEU 14 1.739 -4.150 -0.765 87 H GLU 15 H GLU 15 0.900 -4.976 5.120 88 HA GLU 15 HA GLU 15 -1.655 -5.957 4.038 89 HB2 GLU 15 1HB GLU 15 -0.654 -7.677 5.488 90 HB3 GLU 15 2HB GLU 15 -0.558 -6.512 6.801 91 HG2 GLU 15 1HG GLU 15 -2.453 -7.770 7.281 92 HG3 GLU 15 2HG GLU 15 -3.085 -6.289 6.564 93 H ALA 16 H ALA 16 -3.529 -4.983 4.854 94 HA ALA 16 HA ALA 16 -3.125 -2.280 5.813 95 HB1 ALA 16 1HB ALA 16 -4.859 -1.959 4.461 96 HB2 ALA 16 2HB ALA 16 -5.166 -3.693 4.345 97 HB3 ALA 16 3HB ALA 16 -5.866 -2.760 5.668 98 H LYS 17 H LYS 17 -3.150 -1.738 7.884 99 HA LYS 17 HA LYS 17 -4.569 -3.490 9.783 100 HB2 LYS 17 1HB LYS 17 -2.112 -1.780 10.195 101 HB3 LYS 17 2HB LYS 17 -2.969 -2.601 11.493 102 HG2 LYS 17 1HG LYS 17 -2.562 -4.742 10.141 103 HG3 LYS 17 2HG LYS 17 -1.373 -3.785 9.253 104 HD2 LYS 17 1HD LYS 17 -0.165 -3.321 11.293 105 HD3 LYS 17 2HD LYS 17 -1.401 -4.140 12.250 106 HE2 LYS 17 1HE LYS 17 -0.879 -6.234 11.003 107 HE3 LYS 17 2HE LYS 17 0.454 -5.382 10.223 108 HZ1 LYS 17 1HZ LYS 17 1.093 -6.728 12.195 109 HZ2 LYS 17 2HZ LYS 17 0.192 -5.673 13.163 110 HZ3 LYS 17 3HZ LYS 17 1.531 -5.097 12.304 111 H GLU 18 H GLU 18 -5.298 -2.335 11.796 112 HA GLU 18 HA GLU 18 -6.821 -0.868 12.663 113 HB2 GLU 18 1HB GLU 18 -4.854 1.105 11.488 114 HB3 GLU 18 2HB GLU 18 -6.051 1.472 12.722 115 HG2 GLU 18 1HG GLU 18 -4.860 -0.471 14.013 116 HG3 GLU 18 2HG GLU 18 -3.524 -0.080 12.932 117 H VAL 19 H VAL 19 -7.669 -1.828 10.218 118 HA VAL 19 HA VAL 19 -8.430 0.250 8.423 119 HB VAL 19 HB VAL 19 -9.553 -2.538 8.738 120 HG11 VAL 19 1HG1 VAL 19 -9.918 -1.721 6.121 121 HG12 VAL 19 2HG1 VAL 19 -11.164 -1.834 7.366 122 HG13 VAL 19 3HG1 VAL 19 -10.346 -0.299 7.072 123 HG21 VAL 19 1HG2 VAL 19 -7.422 -2.976 8.063 124 HG22 VAL 19 2HG2 VAL 19 -8.151 -2.671 6.486 125 HG23 VAL 19 3HG2 VAL 19 -7.224 -1.403 7.289 126 H THR 20 H THR 20 -9.954 1.722 8.717 127 HA THR 20 HA THR 20 -12.361 1.008 10.239 128 HB THR 20 HB THR 20 -12.177 3.563 10.998 129 HG1 THR 20 1HG THR 20 -9.992 4.036 11.489 130 HG21 THR 20 1HG2 THR 20 -10.539 2.185 12.854 131 HG22 THR 20 2HG2 THR 20 -11.683 1.018 12.190 132 HG23 THR 20 3HG2 THR 20 -12.272 2.496 12.950 133 HA PRO 21 HA PRO 21 -14.636 3.030 7.077 134 HB2 PRO 21 1HB PRO 21 -16.647 4.212 8.467 135 HB3 PRO 21 2HB PRO 21 -16.547 2.464 8.221 136 HG2 PRO 21 1HG PRO 21 -15.757 4.089 10.608 137 HG3 PRO 21 2HG PRO 21 -16.623 2.543 10.544 138 HD2 PRO 21 1HD PRO 21 -13.981 2.711 11.111 139 HD3 PRO 21 2HD PRO 21 -14.687 1.327 10.251 140 H ARG 22 H ARG 22 -13.038 4.823 9.467 141 HA ARG 22 HA ARG 22 -13.672 7.374 8.147 142 HB2 ARG 22 1HB ARG 22 -14.100 7.555 10.469 143 HB3 ARG 22 2HB ARG 22 -12.611 6.719 10.888 144 HG2 ARG 22 1HG ARG 22 -12.013 8.866 11.355 145 HG3 ARG 22 2HG ARG 22 -11.505 8.768 9.667 146 HD2 ARG 22 1HD ARG 22 -14.284 9.647 10.276 147 HD3 ARG 22 2HD ARG 22 -12.961 10.781 10.552 148 HE ARG 22 HE ARG 22 -12.460 9.958 8.057 149 HH11 ARG 22 2HH1 ARG 22 -15.393 11.049 9.583 150 HH12 ARG 22 1HH1 ARG 22 -16.058 11.713 8.128 151 HH21 ARG 22 2HH2 ARG 22 -13.325 10.828 6.134 152 HH22 ARG 22 1HH2 ARG 22 -14.881 11.586 6.166 153 H THR 23 H THR 23 -11.082 5.184 9.007 154 HA THR 23 HA THR 23 -9.350 6.441 7.059 155 HB THR 23 HB THR 23 -7.430 6.477 8.769 156 HG1 THR 23 1HG THR 23 -9.077 5.484 10.373 157 HG21 THR 23 1HG2 THR 23 -7.669 8.724 8.888 158 HG22 THR 23 2HG2 THR 23 -9.304 8.621 9.540 159 HG23 THR 23 3HG2 THR 23 -9.031 8.430 7.808 160 H ALA 24 H ALA 24 -7.133 5.226 7.093 161 HA ALA 24 HA ALA 24 -7.289 2.479 7.982 162 HB1 ALA 24 1HB ALA 24 -8.415 1.953 6.059 163 HB2 ALA 24 2HB ALA 24 -7.657 3.247 5.129 164 HB3 ALA 24 3HB ALA 24 -6.749 1.782 5.505 165 H LEU 25 H LEU 25 -5.312 1.693 8.407 166 HA LEU 25 HA LEU 25 -3.002 3.257 7.467 167 HB2 LEU 25 1HB LEU 25 -3.105 3.383 9.815 168 HB3 LEU 25 2HB LEU 25 -3.481 1.668 9.969 169 HG LEU 25 HG LEU 25 -1.064 1.420 8.909 170 HD11 LEU 25 1HD1 LEU 25 0.186 3.248 8.855 171 HD12 LEU 25 2HD1 LEU 25 -0.152 3.578 10.553 172 HD13 LEU 25 3HD1 LEU 25 -1.232 4.196 9.304 173 HD21 LEU 25 1HD2 LEU 25 -2.051 1.690 11.676 174 HD22 LEU 25 2HD2 LEU 25 -0.301 1.755 11.465 175 HD23 LEU 25 3HD2 LEU 25 -1.207 0.353 10.894 176 H LEU 26 H LEU 26 -1.249 2.240 6.563 177 HA LEU 26 HA LEU 26 -1.529 -0.651 6.067 178 HB2 LEU 26 1HB LEU 26 -0.948 1.601 4.225 179 HB3 LEU 26 2HB LEU 26 -0.097 0.083 3.946 180 HG LEU 26 HG LEU 26 -3.065 0.036 4.230 181 HD11 LEU 26 1HD1 LEU 26 -2.711 0.231 1.531 182 HD12 LEU 26 2HD1 LEU 26 -1.588 1.447 2.139 183 HD13 LEU 26 3HD1 LEU 26 -3.294 1.525 2.578 184 HD21 LEU 26 1HD2 LEU 26 -1.926 -1.517 2.107 185 HD22 LEU 26 2HD2 LEU 26 -2.781 -2.058 3.552 186 HD23 LEU 26 3HD2 LEU 26 -1.036 -1.801 3.603 187 H THR 27 H THR 27 0.118 -1.854 6.736 188 HA THR 27 HA THR 27 2.673 -0.513 7.333 189 HB THR 27 HB THR 27 3.092 -2.310 8.967 190 HG1 THR 27 1HG THR 27 0.446 -3.127 8.280 191 HG21 THR 27 1HG2 THR 27 2.235 -0.607 10.189 192 HG22 THR 27 2HG2 THR 27 0.874 -1.712 10.380 193 HG23 THR 27 3HG2 THR 27 0.814 -0.442 9.158 194 H TRP 28 H TRP 28 4.419 -1.118 6.230 195 HA TRP 28 HA TRP 28 4.393 -3.733 4.877 196 HB2 TRP 28 1HB TRP 28 5.391 -2.783 2.912 197 HB3 TRP 28 2HB TRP 28 3.964 -1.825 3.301 198 HD1 TRP 28 HD TRP 28 7.814 -1.640 3.622 199 HE1 TRP 28 1HE TRP 28 8.495 0.842 3.633 200 HE3 TRP 28 3HE TRP 28 3.161 0.478 3.638 201 HZ2 TRP 28 2HZ TRP 28 7.227 3.364 3.648 202 HZ3 TRP 28 3HZ TRP 28 2.982 2.932 3.652 203 HH2 TRP 28 HH TRP 28 4.975 4.343 3.657 204 H THR 29 H THR 29 6.438 -4.720 4.565 205 HA THR 29 HA THR 29 8.331 -4.077 6.657 206 HB THR 29 HB THR 29 8.342 -6.313 4.620 207 HG1 THR 29 1HG THR 29 7.381 -6.045 7.259 208 HG21 THR 29 1HG2 THR 29 9.878 -6.860 6.969 209 HG22 THR 29 2HG2 THR 29 10.441 -5.351 6.249 210 HG23 THR 29 3HG2 THR 29 10.403 -6.828 5.286 211 H GLU 30 H GLU 30 9.180 -2.090 5.896 212 HA GLU 30 HA GLU 30 10.179 -1.431 3.454 213 HB2 GLU 30 1HB GLU 30 10.448 0.336 4.851 214 HB3 GLU 30 2HB GLU 30 10.852 -0.681 6.227 215 HG2 GLU 30 1HG GLU 30 13.081 -0.665 5.770 216 HG3 GLU 30 2HG GLU 30 12.838 -0.461 4.036 217 HA PRO 31 HA PRO 31 13.424 -4.272 2.547 218 HB2 PRO 31 1HB PRO 31 14.701 -2.822 0.640 219 HB3 PRO 31 2HB PRO 31 13.156 -3.633 0.356 220 HG2 PRO 31 1HG PRO 31 13.698 -0.758 0.991 221 HG3 PRO 31 2HG PRO 31 12.575 -1.449 -0.194 222 HD2 PRO 31 1HD PRO 31 11.763 -0.539 2.223 223 HD3 PRO 31 2HD PRO 31 10.971 -1.897 1.399 224 HA PRO 32 HA PRO 32 17.114 -3.159 4.662 225 HB2 PRO 32 1HB PRO 32 19.068 -4.240 3.117 226 HB3 PRO 32 2HB PRO 32 17.969 -5.216 4.098 227 HG2 PRO 32 1HG PRO 32 17.858 -4.606 1.169 228 HG3 PRO 32 2HG PRO 32 17.575 -6.145 2.003 229 HD2 PRO 32 1HD PRO 32 15.554 -4.563 1.141 230 HD3 PRO 32 2HD PRO 32 15.422 -5.574 2.594 231 H VAL 33 H VAL 33 17.005 -2.349 1.240 232 HA VAL 33 HA VAL 33 19.046 -0.280 1.627 233 HB VAL 33 HB VAL 33 17.785 -1.342 -0.904 234 HG11 VAL 33 1HG1 VAL 33 18.592 0.398 -2.028 235 HG12 VAL 33 2HG1 VAL 33 18.933 1.168 -0.478 236 HG13 VAL 33 3HG1 VAL 33 20.179 0.213 -1.282 237 HG21 VAL 33 1HG2 VAL 33 19.612 -2.607 0.561 238 HG22 VAL 33 2HG2 VAL 33 19.623 -2.650 -1.202 239 HG23 VAL 33 3HG2 VAL 33 20.689 -1.540 -0.340 240 H ARG 34 H ARG 34 18.084 1.459 2.539 241 HA ARG 34 HA ARG 34 15.483 2.333 2.249 242 HB2 ARG 34 1HB ARG 34 16.776 3.324 3.957 243 HB3 ARG 34 2HB ARG 34 18.034 3.817 2.832 244 HG2 ARG 34 1HG ARG 34 16.895 5.666 2.147 245 HG3 ARG 34 2HG ARG 34 15.315 4.941 2.452 246 HD2 ARG 34 1HD ARG 34 17.254 5.884 4.562 247 HD3 ARG 34 2HD ARG 34 15.818 6.756 4.026 248 HE ARG 34 HE ARG 34 15.158 4.139 4.907 249 HH11 ARG 34 2HH1 ARG 34 16.007 7.315 6.053 250 HH12 ARG 34 1HH1 ARG 34 15.179 7.133 7.564 251 HH21 ARG 34 2HH2 ARG 34 14.064 3.888 6.893 252 HH22 ARG 34 1HH2 ARG 34 14.075 5.183 8.041 253 HA PRO 35 HA PRO 35 15.597 3.475 -2.086 254 HB2 PRO 35 1HB PRO 35 12.939 3.998 -2.263 255 HB3 PRO 35 2HB PRO 35 13.599 2.359 -2.293 256 HG2 PRO 35 1HG PRO 35 12.371 3.865 -0.016 257 HG3 PRO 35 2HG PRO 35 12.136 2.174 -0.495 258 HD2 PRO 35 1HD PRO 35 13.772 2.899 1.538 259 HD3 PRO 35 2HD PRO 35 14.092 1.486 0.512 260 H ALA 36 H ALA 36 15.442 5.406 -3.237 261 HA ALA 36 HA ALA 36 15.995 7.774 -1.925 262 HB1 ALA 36 1HB ALA 36 15.719 6.942 -4.591 263 HB2 ALA 36 2HB ALA 36 14.676 8.352 -4.404 264 HB3 ALA 36 3HB ALA 36 16.389 8.462 -3.998 265 H GLY 37 H GLY 37 12.879 6.457 -2.913 266 HA2 GLY 37 1HA GLY 37 11.512 8.137 -1.024 267 HA3 GLY 37 2HA GLY 37 11.198 8.598 -2.691 268 H TYR 38 H TYR 38 9.031 7.936 -1.395 269 HA TYR 38 HA TYR 38 8.430 5.197 -2.296 270 HB2 TYR 38 1HB TYR 38 7.802 6.538 0.296 271 HB3 TYR 38 2HB TYR 38 6.627 5.405 -0.363 272 HD1 TYR 38 2HD TYR 38 8.065 3.225 -1.423 273 HD2 TYR 38 1HD TYR 38 9.046 5.584 1.979 274 HE1 TYR 38 2HE TYR 38 9.356 1.346 -0.500 275 HE2 TYR 38 1HE TYR 38 10.340 3.712 2.912 276 HH TYR 38 HH TYR 38 10.483 1.298 2.724 277 H LEU 39 H LEU 39 6.418 4.854 -3.231 278 HA LEU 39 HA LEU 39 4.756 7.236 -3.688 279 HB2 LEU 39 1HB LEU 39 6.305 6.622 -5.620 280 HB3 LEU 39 2HB LEU 39 5.296 5.191 -5.821 281 HG LEU 39 HG LEU 39 4.049 7.910 -5.853 282 HD11 LEU 39 1HD1 LEU 39 4.625 6.927 -8.498 283 HD12 LEU 39 2HD1 LEU 39 6.111 7.208 -7.591 284 HD13 LEU 39 3HD1 LEU 39 4.942 8.512 -7.793 285 HD21 LEU 39 1HD2 LEU 39 2.321 6.862 -7.007 286 HD22 LEU 39 2HD2 LEU 39 2.808 5.656 -5.815 287 HD23 LEU 39 3HD2 LEU 39 3.337 5.504 -7.492 288 H LEU 40 H LEU 40 2.934 6.772 -2.628 289 HA LEU 40 HA LEU 40 1.855 4.050 -2.752 290 HB2 LEU 40 1HB LEU 40 2.107 5.056 -0.540 291 HB3 LEU 40 2HB LEU 40 1.072 6.396 -1.027 292 HG LEU 40 HG LEU 40 -0.739 4.613 -1.386 293 HD11 LEU 40 1HD1 LEU 40 -0.522 2.558 -0.219 294 HD12 LEU 40 2HD1 LEU 40 1.021 3.043 0.484 295 HD13 LEU 40 3HD1 LEU 40 0.903 2.719 -1.245 296 HD21 LEU 40 1HD2 LEU 40 0.305 5.343 1.344 297 HD22 LEU 40 2HD2 LEU 40 -1.268 4.599 1.058 298 HD23 LEU 40 3HD2 LEU 40 -0.913 6.194 0.394 299 H SER 41 H SER 41 0.783 3.869 -4.654 300 HA SER 41 HA SER 41 -1.084 5.976 -5.444 301 HB2 SER 41 1HB SER 41 -1.195 4.858 -7.591 302 HB3 SER 41 2HB SER 41 0.498 5.030 -7.128 303 HG SER 41 HG SER 41 0.658 2.948 -7.219 304 H PHE 42 H PHE 42 -3.057 5.843 -4.613 305 HA PHE 42 HA PHE 42 -4.310 3.183 -4.407 306 HB2 PHE 42 1HB PHE 42 -5.241 3.691 -2.360 307 HB3 PHE 42 2HB PHE 42 -3.725 4.578 -2.245 308 HD1 PHE 42 2HD PHE 42 -3.687 7.006 -2.416 309 HD2 PHE 42 1HD PHE 42 -7.343 4.832 -2.550 310 HE1 PHE 42 2HE PHE 42 -4.934 9.085 -1.997 311 HE2 PHE 42 1HE PHE 42 -8.597 6.907 -2.132 312 HZ PHE 42 HZ PHE 42 -7.392 9.037 -1.854 313 H HIS 43 H HIS 43 -6.063 2.908 -5.612 314 HA HIS 43 HA HIS 43 -7.644 5.268 -6.376 315 HB2 HIS 43 1HB HIS 43 -7.682 4.708 -8.618 316 HB3 HIS 43 2HB HIS 43 -6.047 4.219 -8.180 317 HD1 HIS 43 1HD HIS 43 -6.077 1.506 -7.306 318 HD2 HIS 43 2HD HIS 43 -8.890 2.797 -10.077 319 HE1 HIS 43 1HE HIS 43 -6.893 -0.576 -8.456 320 HE2 HIS 43 2HE HIS 43 -8.532 0.238 -10.186 321 H THR 44 H THR 44 -9.846 4.989 -6.487 322 HA THR 44 HA THR 44 -10.894 2.710 -5.061 323 HB THR 44 HB THR 44 -12.036 4.598 -4.402 324 HG1 THR 44 1HG THR 44 -13.978 3.905 -4.864 325 HG21 THR 44 1HG2 THR 44 -11.186 6.257 -5.834 326 HG22 THR 44 2HG2 THR 44 -12.925 6.273 -6.125 327 HG23 THR 44 3HG2 THR 44 -11.846 5.477 -7.271 328 HA PRO 45 HA PRO 45 -12.093 0.270 -8.519 329 HB2 PRO 45 1HB PRO 45 -14.184 -1.075 -7.428 330 HB3 PRO 45 2HB PRO 45 -12.500 -1.413 -7.009 331 HG2 PRO 45 1HG PRO 45 -14.527 0.222 -5.534 332 HG3 PRO 45 2HG PRO 45 -13.358 -0.949 -4.898 333 HD2 PRO 45 1HD PRO 45 -12.949 1.725 -4.785 334 HD3 PRO 45 2HD PRO 45 -11.619 0.563 -4.961 335 H GLY 46 H GLY 46 -14.049 2.711 -7.207 336 HA2 GLY 46 1HA GLY 46 -15.760 2.627 -9.601 337 HA3 GLY 46 2HA GLY 46 -16.495 2.814 -8.016 338 H GLY 47 H GLY 47 -13.436 4.269 -8.945 339 HA2 GLY 47 1HA GLY 47 -14.620 6.832 -9.539 340 HA3 GLY 47 2HA GLY 47 -13.848 6.764 -7.962 341 H GLN 48 H GLN 48 -12.599 8.540 -9.094 342 HA GLN 48 HA GLN 48 -10.706 7.773 -11.100 343 HB2 GLN 48 1HB GLN 48 -11.706 10.155 -10.326 344 HB3 GLN 48 2HB GLN 48 -10.179 10.178 -9.454 345 HG2 GLN 48 1HG GLN 48 -9.271 9.430 -11.842 346 HG3 GLN 48 2HG GLN 48 -10.713 10.303 -12.358 347 HE21 GLN 48 1HE2 GLN 48 -7.715 10.810 -12.458 348 HE22 GLN 48 2HE2 GLN 48 -7.552 12.428 -11.876 349 H THR 49 H THR 49 -8.299 8.406 -10.620 350 HA THR 49 HA THR 49 -7.512 6.884 -8.230 351 HB THR 49 HB THR 49 -5.860 7.461 -10.696 352 HG1 THR 49 1HG THR 49 -7.826 5.929 -10.720 353 HG21 THR 49 1HG2 THR 49 -4.722 5.310 -9.565 354 HG22 THR 49 2HG2 THR 49 -5.338 6.106 -8.116 355 HG23 THR 49 3HG2 THR 49 -4.234 6.963 -9.191 356 H GLN 50 H GLN 50 -5.804 7.617 -6.916 357 HA GLN 50 HA GLN 50 -4.968 10.403 -7.311 358 HB2 GLN 50 1HB GLN 50 -6.742 10.580 -5.725 359 HB3 GLN 50 2HB GLN 50 -6.144 9.205 -4.806 360 HG2 GLN 50 1HG GLN 50 -5.636 11.206 -3.610 361 HG3 GLN 50 2HG GLN 50 -4.133 10.522 -4.227 362 HE21 GLN 50 1HE2 GLN 50 -3.920 13.013 -3.505 363 HE22 GLN 50 2HE2 GLN 50 -3.909 14.097 -4.850 364 H GLU 51 H GLU 51 -2.894 10.864 -6.728 365 HA GLU 51 HA GLU 51 -1.293 8.597 -5.742 366 HB2 GLU 51 1HB GLU 51 -0.621 10.853 -7.619 367 HB3 GLU 51 2HB GLU 51 0.630 9.904 -6.829 368 HG2 GLU 51 1HG GLU 51 0.193 8.037 -8.055 369 HG3 GLU 51 2HG GLU 51 -1.505 8.450 -8.285 370 H ILE 52 H ILE 52 0.319 8.966 -4.197 371 HA ILE 52 HA ILE 52 0.297 11.598 -2.891 372 HB ILE 52 HB ILE 52 0.127 8.958 -1.433 373 HG12 ILE 52 1HG1 ILE 52 -1.897 11.191 -1.399 374 HG13 ILE 52 2HG1 ILE 52 -1.977 9.884 -2.576 375 HG21 ILE 52 1HG2 ILE 52 1.518 10.764 -0.368 376 HG22 ILE 52 2HG2 ILE 52 0.046 11.729 -0.265 377 HG23 ILE 52 3HG2 ILE 52 0.154 10.193 0.593 378 HD11 ILE 52 1HD1 ILE 52 -2.947 8.549 -1.106 379 HD12 ILE 52 2HD1 ILE 52 -1.669 8.830 0.077 380 HD13 ILE 52 3HD1 ILE 52 -3.049 9.924 -0.008 381 H LEU 53 H LEU 53 2.271 12.365 -2.505 382 HA LEU 53 HA LEU 53 4.571 10.690 -3.050 383 HB2 LEU 53 1HB LEU 53 4.174 13.157 -3.755 384 HB3 LEU 53 2HB LEU 53 4.717 13.531 -2.120 385 HG LEU 53 HG LEU 53 6.517 13.753 -3.767 386 HD11 LEU 53 1HD1 LEU 53 7.222 11.342 -2.161 387 HD12 LEU 53 2HD1 LEU 53 6.775 12.835 -1.336 388 HD13 LEU 53 3HD1 LEU 53 8.145 12.818 -2.445 389 HD21 LEU 53 1HD2 LEU 53 7.080 12.184 -5.278 390 HD22 LEU 53 2HD2 LEU 53 5.432 11.613 -5.012 391 HD23 LEU 53 3HD2 LEU 53 6.778 10.850 -4.164 392 H LEU 54 H LEU 54 5.546 9.551 -1.523 393 HA LEU 54 HA LEU 54 5.077 10.131 1.277 394 HB2 LEU 54 1HB LEU 54 6.434 7.913 -0.214 395 HB3 LEU 54 2HB LEU 54 6.608 8.075 1.532 396 HG LEU 54 HG LEU 54 4.890 6.426 0.843 397 HD11 LEU 54 1HD1 LEU 54 4.351 8.776 2.562 398 HD12 LEU 54 2HD1 LEU 54 4.438 7.063 2.972 399 HD13 LEU 54 3HD1 LEU 54 2.993 7.711 2.196 400 HD21 LEU 54 1HD2 LEU 54 4.204 7.991 -1.137 401 HD22 LEU 54 2HD2 LEU 54 3.105 8.684 0.056 402 HD23 LEU 54 3HD2 LEU 54 3.001 6.970 -0.349 403 HA PRO 55 HA PRO 55 8.822 12.240 2.162 404 HB2 PRO 55 1HB PRO 55 9.419 11.289 4.633 405 HB3 PRO 55 2HB PRO 55 8.086 12.410 4.331 406 HG2 PRO 55 1HG PRO 55 8.019 9.437 4.680 407 HG3 PRO 55 2HG PRO 55 6.928 10.666 5.345 408 HD2 PRO 55 1HD PRO 55 6.294 9.177 3.174 409 HD3 PRO 55 2HD PRO 55 5.733 10.848 3.383 410 H GLY 56 H GLY 56 8.753 8.817 1.959 411 HA2 GLY 56 1HA GLY 56 10.367 7.298 1.354 412 HA3 GLY 56 2HA GLY 56 11.394 8.666 0.950 413 H GLY 57 H GLY 57 10.259 6.678 3.656 414 HA2 GLY 57 1HA GLY 57 12.604 5.996 4.786 415 HA3 GLY 57 2HA GLY 57 12.386 7.637 5.376 416 H ILE 58 H ILE 58 9.773 5.360 4.797 417 HA ILE 58 HA ILE 58 9.449 5.011 7.695 418 HB ILE 58 HB ILE 58 7.216 5.626 7.733 419 HG12 ILE 58 1HG1 ILE 58 7.209 5.440 4.713 420 HG13 ILE 58 2HG1 ILE 58 6.468 4.298 5.829 421 HG21 ILE 58 1HG2 ILE 58 7.669 7.621 5.666 422 HG22 ILE 58 2HG2 ILE 58 7.449 7.821 7.404 423 HG23 ILE 58 3HG2 ILE 58 9.044 7.438 6.756 424 HD11 ILE 58 1HD1 ILE 58 5.630 7.151 5.909 425 HD12 ILE 58 2HD1 ILE 58 5.032 6.104 4.622 426 HD13 ILE 58 3HD1 ILE 58 4.721 5.695 6.309 427 H THR 59 H THR 59 7.387 3.435 7.947 428 HA THR 59 HA THR 59 7.701 1.234 6.020 429 HB THR 59 HB THR 59 7.721 -0.408 7.812 430 HG1 THR 59 1HG THR 59 7.539 1.886 9.483 431 HG21 THR 59 1HG2 THR 59 9.809 1.579 8.625 432 HG22 THR 59 2HG2 THR 59 9.848 0.857 7.016 433 HG23 THR 59 3HG2 THR 59 9.941 -0.170 8.446 434 H SER 60 H SER 60 5.648 3.350 7.469 435 HA SER 60 HA SER 60 3.323 1.914 6.600 436 HB2 SER 60 1HB SER 60 2.226 2.169 8.928 437 HB3 SER 60 2HB SER 60 3.336 0.821 8.680 438 HG SER 60 HG SER 60 4.199 3.303 9.723 439 H HIS 61 H HIS 61 1.947 3.353 5.797 440 HA HIS 61 HA HIS 61 2.073 6.120 6.804 441 HB2 HIS 61 1HB HIS 61 2.863 5.567 4.385 442 HB3 HIS 61 2HB HIS 61 1.142 5.433 4.032 443 HD1 HIS 61 1HD HIS 61 0.602 7.507 2.784 444 HD2 HIS 61 2HD HIS 61 2.940 8.269 6.133 445 HE1 HIS 61 1HE HIS 61 0.771 10.012 2.931 446 HE2 HIS 61 2HE HIS 61 2.260 10.447 4.915 447 H GLN 62 H GLN 62 0.184 7.180 7.243 448 HA GLN 62 HA GLN 62 -2.204 5.505 7.384 449 HB2 GLN 62 1HB GLN 62 -1.637 6.580 9.447 450 HB3 GLN 62 2HB GLN 62 -1.485 8.144 8.658 451 HG2 GLN 62 1HG GLN 62 -3.528 8.219 9.790 452 HG3 GLN 62 2HG GLN 62 -3.947 7.943 8.101 453 HE21 GLN 62 1HE2 GLN 62 -5.268 6.323 7.657 454 HE22 GLN 62 2HE2 GLN 62 -5.678 5.032 8.729 455 H LEU 63 H LEU 63 -4.004 5.848 6.215 456 HA LEU 63 HA LEU 63 -3.926 8.018 4.244 457 HB2 LEU 63 1HB LEU 63 -5.518 5.464 4.350 458 HB3 LEU 63 2HB LEU 63 -5.722 6.702 3.112 459 HG LEU 63 HG LEU 63 -3.106 5.288 3.579 460 HD11 LEU 63 1HD1 LEU 63 -3.664 3.590 2.166 461 HD12 LEU 63 2HD1 LEU 63 -4.889 4.540 1.325 462 HD13 LEU 63 3HD1 LEU 63 -5.235 3.869 2.919 463 HD21 LEU 63 1HD2 LEU 63 -4.014 7.424 1.883 464 HD22 LEU 63 2HD2 LEU 63 -3.461 6.059 0.912 465 HD23 LEU 63 3HD2 LEU 63 -2.385 6.785 2.106 466 H LEU 64 H LEU 64 -5.531 9.521 4.066 467 HA LEU 64 HA LEU 64 -7.645 9.438 6.118 468 HB2 LEU 64 1HB LEU 64 -6.529 11.971 4.964 469 HB3 LEU 64 2HB LEU 64 -7.482 11.756 6.431 470 HG LEU 64 HG LEU 64 -5.271 12.285 7.103 471 HD11 LEU 64 1HD1 LEU 64 -5.416 9.294 7.350 472 HD12 LEU 64 2HD1 LEU 64 -6.474 10.378 8.253 473 HD13 LEU 64 3HD1 LEU 64 -4.727 10.456 8.484 474 HD21 LEU 64 1HD2 LEU 64 -4.102 9.959 5.639 475 HD22 LEU 64 2HD2 LEU 64 -3.319 11.427 6.225 476 HD23 LEU 64 3HD2 LEU 64 -4.355 11.489 4.798 477 H GLY 65 H GLY 65 -9.690 10.292 5.559 478 HA2 GLY 65 1HA GLY 65 -11.436 10.845 4.159 479 HA3 GLY 65 2HA GLY 65 -10.249 11.303 2.947 480 H LEU 66 H LEU 66 -11.997 8.577 4.344 481 HA LEU 66 HA LEU 66 -11.746 7.204 1.755 482 HB2 LEU 66 1HB LEU 66 -11.684 5.837 4.439 483 HB3 LEU 66 2HB LEU 66 -11.517 5.076 2.858 484 HG LEU 66 HG LEU 66 -9.535 6.993 4.085 485 HD11 LEU 66 1HD1 LEU 66 -8.522 4.364 3.643 486 HD12 LEU 66 2HD1 LEU 66 -9.983 4.262 4.624 487 HD13 LEU 66 3HD1 LEU 66 -8.637 5.272 5.151 488 HD21 LEU 66 1HD2 LEU 66 -8.181 6.652 2.228 489 HD22 LEU 66 2HD2 LEU 66 -9.790 6.818 1.525 490 HD23 LEU 66 3HD2 LEU 66 -9.071 5.218 1.717 491 H PHE 67 H PHE 67 -13.430 5.471 1.494 492 HA PHE 67 HA PHE 67 -15.990 6.508 2.462 493 HB2 PHE 67 1HB PHE 67 -15.313 4.639 0.185 494 HB3 PHE 67 2HB PHE 67 -16.956 5.069 0.648 495 HD1 PHE 67 2HD PHE 67 -16.647 7.942 1.232 496 HD2 PHE 67 1HD PHE 67 -15.053 5.571 -1.923 497 HE1 PHE 67 2HE PHE 67 -16.529 9.937 -0.203 498 HE2 PHE 67 1HE PHE 67 -14.932 7.563 -3.363 499 HZ PHE 67 HZ PHE 67 -15.672 9.749 -2.504 500 HA PRO 68 HA PRO 68 -16.684 3.124 5.177 501 HB2 PRO 68 1HB PRO 68 -19.397 3.030 5.133 502 HB3 PRO 68 2HB PRO 68 -18.493 4.303 5.961 503 HG2 PRO 68 1HG PRO 68 -19.796 4.351 3.266 504 HG3 PRO 68 2HG PRO 68 -19.794 5.594 4.531 505 HD2 PRO 68 1HD PRO 68 -18.169 5.713 2.369 506 HD3 PRO 68 2HD PRO 68 -17.697 6.356 3.955 507 H SER 69 H SER 69 -16.478 1.006 4.850 508 HA SER 69 HA SER 69 -16.571 -1.057 3.894 509 HB2 SER 69 1HB SER 69 -18.937 -0.887 4.559 510 HB3 SER 69 2HB SER 69 -19.315 -0.119 3.017 511 HG SER 69 HG SER 69 -17.998 -2.574 2.943 512 H THR 70 H THR 70 -15.422 1.106 2.361 513 HA THR 70 HA THR 70 -16.043 0.259 -0.389 514 HB THR 70 HB THR 70 -14.662 2.777 0.561 515 HG1 THR 70 1HG THR 70 -17.290 2.131 -0.147 516 HG21 THR 70 1HG2 THR 70 -15.531 2.072 -2.240 517 HG22 THR 70 2HG2 THR 70 -13.881 1.869 -1.651 518 HG23 THR 70 3HG2 THR 70 -14.602 3.477 -1.721 519 H SER 71 H SER 71 -14.626 -1.013 -1.372 520 HA SER 71 HA SER 71 -12.134 -1.701 -0.168 521 HB2 SER 71 1HB SER 71 -13.517 -3.280 -1.525 522 HB3 SER 71 2HB SER 71 -13.099 -2.350 -2.964 523 HG SER 71 HG SER 71 -11.702 -4.281 -1.784 524 H TYR 72 H TYR 72 -10.076 -1.135 -0.715 525 HA TYR 72 HA TYR 72 -9.728 0.817 -2.885 526 HB2 TYR 72 1HB TYR 72 -8.816 1.048 -0.027 527 HB3 TYR 72 2HB TYR 72 -7.998 1.917 -1.320 528 HD1 TYR 72 2HD TYR 72 -9.270 3.609 -2.654 529 HD2 TYR 72 1HD TYR 72 -10.890 1.804 0.842 530 HE1 TYR 72 2HE TYR 72 -10.940 5.409 -2.505 531 HE2 TYR 72 1HE TYR 72 -12.564 3.599 1.000 532 HH TYR 72 HH TYR 72 -12.378 6.457 -0.880 533 H ASN 73 H ASN 73 -7.845 0.664 -4.037 534 HA ASN 73 HA ASN 73 -6.154 -1.659 -3.408 535 HB2 ASN 73 1HB ASN 73 -7.442 -1.535 -5.620 536 HB3 ASN 73 2HB ASN 73 -6.307 -0.268 -6.079 537 HD21 ASN 73 1HD2 ASN 73 -6.232 -2.219 -7.731 538 HD22 ASN 73 2HD2 ASN 73 -4.904 -3.294 -7.472 539 H ALA 74 H ALA 74 -4.475 -0.945 -2.227 540 HA ALA 74 HA ALA 74 -3.145 1.552 -2.969 541 HB1 ALA 74 1HB ALA 74 -3.748 0.470 -0.523 542 HB2 ALA 74 2HB ALA 74 -2.035 0.089 -0.703 543 HB3 ALA 74 3HB ALA 74 -2.583 1.761 -0.816 544 H ARG 75 H ARG 75 -1.017 1.676 -3.606 545 HA ARG 75 HA ARG 75 0.405 -0.861 -4.037 546 HB2 ARG 75 1HB ARG 75 -0.787 0.289 -6.104 547 HB3 ARG 75 2HB ARG 75 0.648 1.305 -6.076 548 HG2 ARG 75 1HG ARG 75 1.863 -1.042 -5.965 549 HG3 ARG 75 2HG ARG 75 0.368 -1.569 -6.740 550 HD2 ARG 75 1HD ARG 75 0.851 0.558 -8.251 551 HD3 ARG 75 2HD ARG 75 2.508 0.227 -7.747 552 HE ARG 75 HE ARG 75 2.517 -1.542 -9.180 553 HH11 ARG 75 2HH1 ARG 75 -0.787 -0.775 -8.398 554 HH12 ARG 75 1HH1 ARG 75 -1.454 -1.941 -9.492 555 HH21 ARG 75 2HH2 ARG 75 1.652 -3.081 -10.624 556 HH22 ARG 75 1HH2 ARG 75 -0.065 -3.253 -10.757 557 H LEU 76 H LEU 76 2.323 -0.817 -3.086 558 HA LEU 76 HA LEU 76 3.536 1.767 -2.437 559 HB2 LEU 76 1HB LEU 76 3.143 0.008 -0.682 560 HB3 LEU 76 2HB LEU 76 4.373 -0.965 -1.487 561 HG LEU 76 HG LEU 76 5.967 0.967 -1.076 562 HD11 LEU 76 1HD1 LEU 76 5.435 2.657 0.424 563 HD12 LEU 76 2HD1 LEU 76 4.026 1.799 1.047 564 HD13 LEU 76 3HD1 LEU 76 3.978 2.523 -0.560 565 HD21 LEU 76 1HD2 LEU 76 6.272 -0.958 0.224 566 HD22 LEU 76 2HD2 LEU 76 4.779 -0.694 1.126 567 HD23 LEU 76 3HD2 LEU 76 6.170 0.358 1.395 568 H GLN 77 H GLN 77 4.913 2.523 -3.901 569 HA GLN 77 HA GLN 77 6.848 0.650 -5.089 570 HB2 GLN 77 1HB GLN 77 4.905 1.676 -6.577 571 HB3 GLN 77 2HB GLN 77 5.996 3.055 -6.632 572 HG2 GLN 77 1HG GLN 77 7.784 1.442 -7.395 573 HG3 GLN 77 2HG GLN 77 6.494 0.259 -7.602 574 HE21 GLN 77 1HE2 GLN 77 8.045 1.010 -9.719 575 HE22 GLN 77 2HE2 GLN 77 7.106 1.937 -10.833 576 H ALA 78 H ALA 78 8.875 1.156 -4.619 577 HA ALA 78 HA ALA 78 9.474 3.860 -3.657 578 HB1 ALA 78 1HB ALA 78 10.561 2.743 -2.074 579 HB2 ALA 78 2HB ALA 78 10.370 1.216 -2.938 580 HB3 ALA 78 3HB ALA 78 11.736 2.270 -3.302 581 H MET 79 H MET 79 11.047 5.140 -4.560 582 HA MET 79 HA MET 79 11.793 4.471 -7.290 583 HB2 MET 79 1HB MET 79 12.310 7.021 -5.753 584 HB3 MET 79 2HB MET 79 12.461 6.792 -7.490 585 HG2 MET 79 1HG MET 79 9.984 6.223 -7.469 586 HG3 MET 79 2HG MET 79 9.967 6.871 -5.831 587 HE1 MET 79 1HE MET 79 8.907 8.959 -5.558 588 HE2 MET 79 2HE MET 79 10.556 9.522 -5.283 589 HE3 MET 79 3HE MET 79 9.453 10.473 -6.280 590 H TRP 80 H TRP 80 13.661 3.530 -7.743 591 HA TRP 80 HA TRP 80 15.916 3.911 -5.885 592 HB2 TRP 80 1HB TRP 80 14.985 1.542 -7.457 593 HB3 TRP 80 2HB TRP 80 16.703 1.711 -7.108 594 HD1 TRP 80 HD TRP 80 17.467 1.478 -4.550 595 HE1 TRP 80 1HE TRP 80 16.312 0.424 -2.505 596 HE3 TRP 80 3HE TRP 80 12.702 1.173 -6.377 597 HZ2 TRP 80 2HZ TRP 80 13.724 -0.425 -1.765 598 HZ3 TRP 80 3HZ TRP 80 10.945 0.227 -4.937 599 HH2 TRP 80 HH TRP 80 11.448 -0.555 -2.679 600 H GLY 81 H GLY 81 18.066 3.942 -6.831 601 HA2 GLY 81 1HA GLY 81 18.463 5.813 -8.779 602 HA3 GLY 81 2HA GLY 81 19.629 4.551 -8.412 603 H GLN 82 H GLN 82 17.958 5.928 -10.854 604 HA GLN 82 HA GLN 82 17.099 5.194 -12.876 605 HB2 GLN 82 1HB GLN 82 19.833 3.934 -12.661 606 HB3 GLN 82 2HB GLN 82 18.909 3.985 -14.156 607 HG2 GLN 82 1HG GLN 82 19.697 6.427 -12.588 608 HG3 GLN 82 2HG GLN 82 20.635 5.765 -13.926 609 HE21 GLN 82 1HE2 GLN 82 20.339 6.856 -15.718 610 HE22 GLN 82 2HE2 GLN 82 18.858 7.568 -16.252 611 H SER 83 H SER 83 16.063 3.590 -10.799 612 HA SER 83 HA SER 83 15.324 1.266 -12.310 613 HB2 SER 83 1HB SER 83 17.093 1.008 -9.890 614 HB3 SER 83 2HB SER 83 15.977 -0.282 -10.339 615 HG SER 83 HG SER 83 17.747 0.810 -12.237 616 H LEU 84 H LEU 84 13.483 0.215 -11.477 617 HA LEU 84 HA LEU 84 12.259 1.431 -9.102 618 HB2 LEU 84 1HB LEU 84 10.739 0.886 -11.641 619 HB3 LEU 84 2HB LEU 84 10.155 1.700 -10.191 620 HG LEU 84 HG LEU 84 12.409 2.882 -11.765 621 HD11 LEU 84 1HD1 LEU 84 10.317 2.257 -13.192 622 HD12 LEU 84 2HD1 LEU 84 11.043 3.858 -13.335 623 HD13 LEU 84 3HD1 LEU 84 9.586 3.634 -12.367 624 HD21 LEU 84 1HD2 LEU 84 10.603 4.802 -10.835 625 HD22 LEU 84 2HD2 LEU 84 12.191 4.414 -10.173 626 HD23 LEU 84 3HD2 LEU 84 10.750 3.621 -9.534 627 H LEU 85 H LEU 85 12.361 -0.311 -7.787 628 HA LEU 85 HA LEU 85 12.082 -2.987 -8.540 629 HB2 LEU 85 1HB LEU 85 11.504 -1.677 -5.888 630 HB3 LEU 85 2HB LEU 85 11.650 -3.414 -6.143 631 HG LEU 85 HG LEU 85 13.817 -1.332 -6.331 632 HD11 LEU 85 1HD1 LEU 85 13.330 -3.711 -4.553 633 HD12 LEU 85 2HD1 LEU 85 13.418 -2.013 -4.089 634 HD13 LEU 85 3HD1 LEU 85 14.868 -2.852 -4.638 635 HD21 LEU 85 1HD2 LEU 85 14.321 -2.726 -8.135 636 HD22 LEU 85 2HD2 LEU 85 13.757 -4.172 -7.297 637 HD23 LEU 85 3HD2 LEU 85 15.262 -3.396 -6.802 638 HA PRO 86 HA PRO 86 7.780 -3.635 -9.129 639 HB2 PRO 86 1HB PRO 86 7.502 -6.173 -8.207 640 HB3 PRO 86 2HB PRO 86 8.309 -5.788 -9.731 641 HG2 PRO 86 1HG PRO 86 9.506 -6.382 -7.052 642 HG3 PRO 86 2HG PRO 86 10.011 -6.950 -8.654 643 HD2 PRO 86 1HD PRO 86 11.254 -4.915 -7.371 644 HD3 PRO 86 2HD PRO 86 11.118 -4.988 -9.140 645 HA PRO 87 HA PRO 87 6.240 -2.459 -5.064 646 HB2 PRO 87 1HB PRO 87 3.856 -1.536 -5.978 647 HB3 PRO 87 2HB PRO 87 5.351 -0.599 -6.079 648 HG2 PRO 87 1HG PRO 87 3.995 -2.235 -8.187 649 HG3 PRO 87 2HG PRO 87 4.741 -0.632 -8.322 650 HD2 PRO 87 1HD PRO 87 5.991 -2.893 -9.132 651 HD3 PRO 87 2HD PRO 87 6.872 -1.497 -8.477 652 H VAL 88 H VAL 88 4.144 -2.917 -3.899 653 HA VAL 88 HA VAL 88 3.070 -5.539 -4.713 654 HB VAL 88 HB VAL 88 2.678 -5.857 -2.194 655 HG11 VAL 88 1HG1 VAL 88 4.674 -6.652 -3.872 656 HG12 VAL 88 2HG1 VAL 88 5.583 -5.918 -2.549 657 HG13 VAL 88 3HG1 VAL 88 4.450 -7.230 -2.221 658 HG21 VAL 88 1HG2 VAL 88 3.322 -3.383 -1.805 659 HG22 VAL 88 2HG2 VAL 88 3.884 -4.598 -0.657 660 HG23 VAL 88 3HG2 VAL 88 4.983 -3.970 -1.885 661 H SER 89 H SER 89 0.976 -5.506 -5.157 662 HA SER 89 HA SER 89 -0.663 -3.301 -4.140 663 HB2 SER 89 1HB SER 89 -2.176 -3.744 -5.931 664 HB3 SER 89 2HB SER 89 -0.555 -3.839 -6.621 665 HG SER 89 HG SER 89 -1.509 -5.644 -7.343 666 H THR 90 H THR 90 -2.314 -3.591 -2.760 667 HA THR 90 HA THR 90 -3.259 -6.309 -2.209 668 HB THR 90 HB THR 90 -1.493 -5.766 -0.536 669 HG1 THR 90 1HG THR 90 -3.695 -6.929 -0.148 670 HG21 THR 90 1HG2 THR 90 -3.436 -3.677 0.449 671 HG22 THR 90 2HG2 THR 90 -1.972 -3.314 -0.465 672 HG23 THR 90 3HG2 THR 90 -1.855 -4.069 1.124 673 H SER 91 H SER 91 -5.385 -6.450 -1.589 674 HA SER 91 HA SER 91 -6.926 -3.964 -1.812 675 HB2 SER 91 1HB SER 91 -8.878 -5.569 -2.108 676 HB3 SER 91 2HB SER 91 -7.667 -5.588 -3.390 677 HG SER 91 HG SER 91 -8.327 -7.697 -2.626 678 H PHE 92 H PHE 92 -7.994 -3.134 -0.132 679 HA PHE 92 HA PHE 92 -8.530 -4.831 2.200 680 HB2 PHE 92 1HB PHE 92 -7.708 -3.149 3.732 681 HB3 PHE 92 2HB PHE 92 -6.429 -3.553 2.592 682 HD1 PHE 92 1HD PHE 92 -5.849 -1.979 0.779 683 HD2 PHE 92 2HD PHE 92 -8.620 -0.965 3.847 684 HE1 PHE 92 1HE PHE 92 -5.609 0.402 0.205 685 HE2 PHE 92 2HE PHE 92 -8.385 1.417 3.277 686 HZ PHE 92 HZ PHE 92 -6.878 2.103 1.454 687 H THR 93 H THR 93 -10.442 -4.452 3.198 688 HA THR 93 HA THR 93 -12.151 -2.379 2.007 689 HB THR 93 HB THR 93 -13.007 -4.785 3.625 690 HG1 THR 93 1HG THR 93 -13.775 -5.299 1.306 691 HG21 THR 93 1HG2 THR 93 -14.890 -3.554 1.756 692 HG22 THR 93 2HG2 THR 93 -14.406 -2.489 3.076 693 HG23 THR 93 3HG2 THR 93 -15.123 -4.061 3.428 694 H THR 94 H THR 94 -13.176 -0.863 3.237 695 HA THR 94 HA THR 94 -12.135 -0.459 5.914 696 HB THR 94 HB THR 94 -13.418 1.695 5.808 697 HG1 THR 94 1HG THR 94 -14.861 1.873 4.281 698 HG21 THR 94 1HG2 THR 94 -12.017 2.576 3.791 699 HG22 THR 94 2HG2 THR 94 -11.330 0.952 3.798 700 HG23 THR 94 3HG2 THR 94 -11.193 1.973 5.229 701 H GLY 95 H GLY 95 -13.583 0.142 7.702 702 HA2 GLY 95 1HA GLY 95 -15.603 -1.826 8.077 703 HA3 GLY 95 2HA GLY 95 -15.224 -0.509 9.177 704 H GLY 96 H GLY 96 -17.441 -0.173 9.597 705 HA2 GLY 96 1HA GLY 96 -18.768 1.373 7.476 706 HA3 GLY 96 2HA GLY 96 -19.649 0.074 8.266 707 H LEU 97 H LEU 97 -20.105 3.018 8.163 708 HA LEU 97 HA LEU 97 -19.698 3.858 10.914 709 HB2 LEU 97 1HB LEU 97 -21.157 5.278 8.694 710 HB3 LEU 97 2HB LEU 97 -20.621 5.974 10.222 711 HG LEU 97 HG LEU 97 -18.778 4.946 8.065 712 HD11 LEU 97 1HD1 LEU 97 -19.479 6.813 7.011 713 HD12 LEU 97 2HD1 LEU 97 -18.358 7.596 8.124 714 HD13 LEU 97 3HD1 LEU 97 -20.082 7.558 8.493 715 HD21 LEU 97 1HD2 LEU 97 -18.269 6.515 10.591 716 HD22 LEU 97 2HD2 LEU 97 -17.066 6.164 9.350 717 HD23 LEU 97 3HD2 LEU 97 -17.790 4.848 10.274 718 H ARG 98 H ARG 98 -21.006 2.578 12.173 719 HA ARG 98 HA ARG 98 -23.896 2.993 11.813 720 HB2 ARG 98 1HB ARG 98 -24.242 0.676 12.697 721 HB3 ARG 98 2HB ARG 98 -23.493 0.739 11.107 722 HG2 ARG 98 1HG ARG 98 -21.509 -0.079 11.853 723 HG3 ARG 98 2HG ARG 98 -21.699 0.618 13.463 724 HD2 ARG 98 1HD ARG 98 -22.043 -1.572 13.979 725 HD3 ARG 98 2HD ARG 98 -23.697 -1.121 13.568 726 HE ARG 98 HE ARG 98 -22.153 -2.116 11.348 727 HH11 ARG 98 2HH1 ARG 98 -24.241 -2.942 14.008 728 HH12 ARG 98 1HH1 ARG 98 -24.760 -4.439 13.306 729 HH21 ARG 98 2HH2 ARG 98 -22.828 -4.085 10.414 730 HH22 ARG 98 1HH2 ARG 98 -23.954 -5.088 11.262 731 H ILE 99 H ILE 99 -23.106 4.769 13.356 732 HA ILE 99 HA ILE 99 -22.184 4.482 15.884 733 HB ILE 99 HB ILE 99 -24.523 6.216 15.082 734 HG12 ILE 99 1HG1 ILE 99 -22.480 7.918 15.183 735 HG13 ILE 99 2HG1 ILE 99 -21.562 6.462 14.817 736 HG21 ILE 99 1HG2 ILE 99 -22.939 5.983 17.576 737 HG22 ILE 99 2HG2 ILE 99 -23.366 7.605 17.032 738 HG23 ILE 99 3HG2 ILE 99 -24.633 6.418 17.344 739 HD11 ILE 99 1HD1 ILE 99 -23.887 6.754 13.113 740 HD12 ILE 99 2HD1 ILE 99 -22.783 8.125 13.000 741 HD13 ILE 99 3HD1 ILE 99 -22.195 6.491 12.691 742 H SER 100 H SER 100 -23.021 4.033 17.927 743 HA SER 100 HA SER 100 -25.699 2.849 18.052 744 HB2 SER 100 1HB SER 100 -24.954 0.863 19.128 745 HB3 SER 100 2HB SER 100 -23.909 1.066 17.722 746 HG SER 100 HG SER 100 -23.008 0.630 20.002 747 H GLY 101 H GLY 101 -26.424 2.508 20.326 748 HA2 GLY 101 1HA GLY 101 -25.080 4.282 22.246 749 HA3 GLY 101 2HA GLY 101 -26.774 4.563 21.870 750 HA PRO 102 HA PRO 102 -26.605 0.277 24.107 751 HB2 PRO 102 1HB PRO 102 -24.220 -0.437 25.190 752 HB3 PRO 102 2HB PRO 102 -24.695 -0.870 23.543 753 HG2 PRO 102 1HG PRO 102 -22.925 1.355 24.481 754 HG3 PRO 102 2HG PRO 102 -22.706 0.253 23.109 755 HD2 PRO 102 1HD PRO 102 -23.630 2.781 22.814 756 HD3 PRO 102 2HD PRO 102 -24.140 1.449 21.757 757 H SER 103 H SER 103 -27.654 0.625 25.953 758 HA SER 103 HA SER 103 -26.507 2.455 27.933 759 HB2 SER 103 1HB SER 103 -29.271 1.591 27.235 760 HB3 SER 103 2HB SER 103 -28.951 2.017 28.916 761 HG SER 103 HG SER 103 -28.812 3.619 26.613 762 H SER 104 H SER 104 -26.025 1.849 29.990 763 HA SER 104 HA SER 104 -25.248 -0.743 30.547 764 HB2 SER 104 1HB SER 104 -26.094 1.355 32.560 765 HB3 SER 104 2HB SER 104 -25.078 -0.048 32.889 766 HG SER 104 HG SER 104 -24.489 2.248 31.360 767 H GLY 105 H GLY 105 -28.162 0.898 31.802 768 HA2 GLY 105 1HA GLY 105 -30.297 -0.297 31.649 769 HA3 GLY 105 2HA GLY 105 -29.414 -1.768 32.027 Start of MODEL 15 1 H1 GLY 1 H GLY 1 21.261 -13.573 -20.670 2 HA2 GLY 1 1HA GLY 1 20.292 -11.087 -21.935 3 HA3 GLY 1 2HA GLY 1 19.248 -12.345 -21.291 4 H SER 2 H SER 2 18.163 -10.796 -20.008 5 HA SER 2 HA SER 2 19.683 -10.017 -17.609 6 HB2 SER 2 1HB SER 2 19.381 -7.966 -18.763 7 HB3 SER 2 2HB SER 2 17.721 -8.368 -19.202 8 HG SER 2 HG SER 2 18.344 -8.268 -16.488 9 H SER 3 H SER 3 18.899 -11.846 -16.517 10 HA SER 3 HA SER 3 16.003 -11.830 -15.972 11 HB2 SER 3 1HB SER 3 16.277 -14.218 -15.344 12 HB3 SER 3 2HB SER 3 16.720 -13.908 -17.022 13 HG SER 3 HG SER 3 18.571 -14.750 -16.536 14 H GLY 4 H GLY 4 16.120 -10.305 -14.299 15 HA2 GLY 4 1HA GLY 4 16.254 -9.666 -12.098 16 HA3 GLY 4 2HA GLY 4 16.526 -11.360 -11.717 17 H SER 5 H SER 5 18.289 -8.646 -13.217 18 HA SER 5 HA SER 5 20.729 -9.606 -11.895 19 HB2 SER 5 1HB SER 5 20.340 -7.708 -14.219 20 HB3 SER 5 2HB SER 5 21.905 -8.071 -13.491 21 HG SER 5 HG SER 5 20.771 -9.393 -15.402 22 H SER 6 H SER 6 18.910 -8.375 -10.235 23 HA SER 6 HA SER 6 20.339 -5.897 -9.566 24 HB2 SER 6 1HB SER 6 18.241 -4.806 -8.943 25 HB3 SER 6 2HB SER 6 18.192 -5.294 -10.637 26 HG SER 6 HG SER 6 16.889 -7.014 -10.085 27 H GLY 7 H GLY 7 20.769 -5.604 -7.429 28 HA2 GLY 7 1HA GLY 7 19.991 -7.818 -5.652 29 HA3 GLY 7 2HA GLY 7 21.402 -6.793 -5.441 30 H LEU 8 H LEU 8 18.153 -5.657 -6.177 31 HA LEU 8 HA LEU 8 18.214 -4.063 -3.733 32 HB2 LEU 8 1HB LEU 8 16.592 -3.977 -6.249 33 HB3 LEU 8 2HB LEU 8 16.076 -3.099 -4.811 34 HG LEU 8 HG LEU 8 18.748 -2.689 -6.142 35 HD11 LEU 8 1HD1 LEU 8 16.504 -2.132 -7.432 36 HD12 LEU 8 2HD1 LEU 8 17.900 -1.056 -7.479 37 HD13 LEU 8 3HD1 LEU 8 16.554 -0.707 -6.394 38 HD21 LEU 8 1HD2 LEU 8 17.344 -1.556 -3.805 39 HD22 LEU 8 2HD2 LEU 8 18.179 -0.406 -4.850 40 HD23 LEU 8 3HD2 LEU 8 19.070 -1.740 -4.117 41 H GLU 9 H GLU 9 15.838 -3.699 -2.840 42 HA GLU 9 HA GLU 9 14.486 -6.294 -2.601 43 HB2 GLU 9 1HB GLU 9 15.473 -4.546 -0.355 44 HB3 GLU 9 2HB GLU 9 14.181 -5.716 -0.124 45 HG2 GLU 9 1HG GLU 9 16.845 -6.503 -1.248 46 HG3 GLU 9 2HG GLU 9 16.544 -6.428 0.487 47 H ALA 10 H ALA 10 12.369 -5.946 -1.265 48 HA ALA 10 HA ALA 10 11.147 -3.354 -1.847 49 HB1 ALA 10 1HB ALA 10 10.639 -5.764 -3.339 50 HB2 ALA 10 2HB ALA 10 9.171 -5.197 -2.542 51 HB3 ALA 10 3HB ALA 10 10.058 -4.123 -3.623 52 HA PRO 11 HA PRO 11 8.906 -3.873 1.890 53 HB2 PRO 11 1HB PRO 11 6.378 -3.101 1.269 54 HB3 PRO 11 2HB PRO 11 7.727 -1.965 1.389 55 HG2 PRO 11 1HG PRO 11 6.504 -3.203 -1.047 56 HG3 PRO 11 2HG PRO 11 7.021 -1.528 -0.783 57 HD2 PRO 11 1HD PRO 11 8.523 -3.317 -2.152 58 HD3 PRO 11 2HD PRO 11 9.239 -2.017 -1.178 59 H ARG 12 H ARG 12 8.721 -5.942 2.565 60 HA ARG 12 HA ARG 12 6.800 -7.713 1.245 61 HB2 ARG 12 1HB ARG 12 9.236 -8.364 1.815 62 HB3 ARG 12 2HB ARG 12 8.657 -8.515 3.468 63 HG2 ARG 12 1HG ARG 12 6.871 -10.074 2.496 64 HG3 ARG 12 2HG ARG 12 7.897 -10.124 1.061 65 HD2 ARG 12 1HD ARG 12 9.602 -11.222 2.153 66 HD3 ARG 12 2HD ARG 12 9.114 -10.621 3.737 67 HE ARG 12 HE ARG 12 7.063 -12.247 2.932 68 HH11 ARG 12 2HH1 ARG 12 10.491 -12.616 3.415 69 HH12 ARG 12 1HH1 ARG 12 10.381 -14.291 3.846 70 HH21 ARG 12 2HH2 ARG 12 6.906 -14.452 3.498 71 HH22 ARG 12 1HH2 ARG 12 8.342 -15.334 3.892 72 H ASP 13 H ASP 13 5.329 -8.996 2.534 73 HA ASP 13 HA ASP 13 3.724 -9.298 4.119 74 HB2 ASP 13 1HB ASP 13 5.348 -7.579 5.989 75 HB3 ASP 13 2HB ASP 13 4.226 -8.874 6.397 76 H LEU 14 H LEU 14 3.079 -7.476 2.313 77 HA LEU 14 HA LEU 14 2.354 -4.964 3.554 78 HB2 LEU 14 1HB LEU 14 3.021 -4.810 1.294 79 HB3 LEU 14 2HB LEU 14 1.954 -6.127 0.813 80 HG LEU 14 HG LEU 14 0.031 -4.566 1.442 81 HD11 LEU 14 1HD1 LEU 14 2.301 -2.885 2.043 82 HD12 LEU 14 2HD1 LEU 14 0.594 -2.652 2.418 83 HD13 LEU 14 3HD1 LEU 14 1.233 -2.133 0.858 84 HD21 LEU 14 1HD2 LEU 14 1.846 -3.964 -0.888 85 HD22 LEU 14 2HD2 LEU 14 0.189 -3.378 -0.734 86 HD23 LEU 14 3HD2 LEU 14 0.506 -5.110 -0.848 87 H GLU 15 H GLU 15 0.739 -5.076 4.993 88 HA GLU 15 HA GLU 15 -1.809 -6.208 4.080 89 HB2 GLU 15 1HB GLU 15 -0.728 -7.857 5.569 90 HB3 GLU 15 2HB GLU 15 -0.637 -6.639 6.833 91 HG2 GLU 15 1HG GLU 15 -2.495 -7.912 7.398 92 HG3 GLU 15 2HG GLU 15 -3.174 -6.481 6.624 93 H ALA 16 H ALA 16 -3.666 -5.226 4.942 94 HA ALA 16 HA ALA 16 -3.300 -2.466 5.671 95 HB1 ALA 16 1HB ALA 16 -5.358 -2.185 4.859 96 HB2 ALA 16 2HB ALA 16 -5.252 -3.862 4.324 97 HB3 ALA 16 3HB ALA 16 -6.022 -3.474 5.862 98 H LYS 17 H LYS 17 -3.373 -1.594 7.643 99 HA LYS 17 HA LYS 17 -4.269 -3.297 9.876 100 HB2 LYS 17 1HB LYS 17 -2.149 -1.140 9.920 101 HB3 LYS 17 2HB LYS 17 -2.650 -2.121 11.292 102 HG2 LYS 17 1HG LYS 17 -1.700 -3.538 8.868 103 HG3 LYS 17 2HG LYS 17 -0.504 -2.690 9.851 104 HD2 LYS 17 1HD LYS 17 -0.797 -4.077 11.649 105 HD3 LYS 17 2HD LYS 17 -2.475 -4.437 11.234 106 HE2 LYS 17 1HE LYS 17 -1.326 -6.431 10.810 107 HE3 LYS 17 2HE LYS 17 -1.520 -5.690 9.223 108 HZ1 LYS 17 1HZ LYS 17 0.909 -4.961 10.609 109 HZ2 LYS 17 2HZ LYS 17 0.676 -5.412 8.996 110 HZ3 LYS 17 3HZ LYS 17 0.805 -6.599 10.195 111 H GLU 18 H GLU 18 -5.074 -2.096 11.780 112 HA GLU 18 HA GLU 18 -6.871 -0.843 12.512 113 HB2 GLU 18 1HB GLU 18 -4.975 1.310 11.557 114 HB3 GLU 18 2HB GLU 18 -6.262 1.525 12.735 115 HG2 GLU 18 1HG GLU 18 -3.819 -0.204 13.049 116 HG3 GLU 18 2HG GLU 18 -4.129 1.337 13.845 117 H VAL 19 H VAL 19 -7.675 -1.770 10.146 118 HA VAL 19 HA VAL 19 -8.314 0.234 8.228 119 HB VAL 19 HB VAL 19 -9.521 -2.501 8.662 120 HG11 VAL 19 1HG1 VAL 19 -10.224 -0.329 6.848 121 HG12 VAL 19 2HG1 VAL 19 -9.889 -1.851 6.021 122 HG13 VAL 19 3HG1 VAL 19 -11.124 -1.783 7.279 123 HG21 VAL 19 1HG2 VAL 19 -7.922 -2.166 6.290 124 HG22 VAL 19 2HG2 VAL 19 -6.994 -1.755 7.732 125 HG23 VAL 19 3HG2 VAL 19 -7.757 -3.339 7.597 126 H THR 20 H THR 20 -9.838 1.735 8.324 127 HA THR 20 HA THR 20 -12.329 1.197 9.752 128 HB THR 20 HB THR 20 -12.058 3.709 10.585 129 HG1 THR 20 1HG THR 20 -9.392 2.787 10.845 130 HG21 THR 20 1HG2 THR 20 -10.674 2.407 12.582 131 HG22 THR 20 2HG2 THR 20 -11.511 1.094 11.754 132 HG23 THR 20 3HG2 THR 20 -12.428 2.453 12.403 133 HA PRO 21 HA PRO 21 -14.229 3.378 6.451 134 HB2 PRO 21 1HB PRO 21 -16.312 4.592 7.700 135 HB3 PRO 21 2HB PRO 21 -16.252 2.850 7.403 136 HG2 PRO 21 1HG PRO 21 -15.620 4.369 9.904 137 HG3 PRO 21 2HG PRO 21 -16.530 2.859 9.712 138 HD2 PRO 21 1HD PRO 21 -13.944 2.909 10.513 139 HD3 PRO 21 2HD PRO 21 -14.620 1.581 9.548 140 H ARG 22 H ARG 22 -12.645 4.990 8.916 141 HA ARG 22 HA ARG 22 -13.090 7.611 7.646 142 HB2 ARG 22 1HB ARG 22 -12.372 6.878 10.479 143 HB3 ARG 22 2HB ARG 22 -12.152 8.506 9.850 144 HG2 ARG 22 1HG ARG 22 -14.811 7.176 9.605 145 HG3 ARG 22 2HG ARG 22 -14.317 7.883 11.145 146 HD2 ARG 22 1HD ARG 22 -14.206 10.036 10.257 147 HD3 ARG 22 2HD ARG 22 -14.116 9.447 8.598 148 HE ARG 22 HE ARG 22 -16.555 8.617 9.399 149 HH11 ARG 22 2HH1 ARG 22 -14.944 11.702 9.501 150 HH12 ARG 22 1HH1 ARG 22 -16.408 12.618 9.362 151 HH21 ARG 22 2HH2 ARG 22 -18.489 9.812 9.215 152 HH22 ARG 22 1HH2 ARG 22 -18.424 11.542 9.200 153 H THR 23 H THR 23 -10.776 5.196 8.507 154 HA THR 23 HA THR 23 -8.754 6.490 6.916 155 HB THR 23 HB THR 23 -7.018 6.513 8.656 156 HG1 THR 23 1HG THR 23 -8.492 4.965 9.989 157 HG21 THR 23 1HG2 THR 23 -8.380 8.547 8.168 158 HG22 THR 23 2HG2 THR 23 -7.724 8.505 9.805 159 HG23 THR 23 3HG2 THR 23 -9.422 8.118 9.524 160 H ALA 24 H ALA 24 -6.807 5.126 6.677 161 HA ALA 24 HA ALA 24 -7.064 2.356 7.519 162 HB1 ALA 24 1HB ALA 24 -6.860 2.989 4.583 163 HB2 ALA 24 2HB ALA 24 -7.065 1.408 5.337 164 HB3 ALA 24 3HB ALA 24 -8.375 2.588 5.392 165 H LEU 25 H LEU 25 -5.125 1.971 8.359 166 HA LEU 25 HA LEU 25 -2.761 3.267 7.260 167 HB2 LEU 25 1HB LEU 25 -3.060 3.275 9.668 168 HB3 LEU 25 2HB LEU 25 -3.135 1.515 9.684 169 HG LEU 25 HG LEU 25 -0.713 1.803 8.608 170 HD11 LEU 25 1HD1 LEU 25 -1.342 4.398 9.893 171 HD12 LEU 25 2HD1 LEU 25 -0.286 4.031 8.529 172 HD13 LEU 25 3HD1 LEU 25 0.259 3.714 10.175 173 HD21 LEU 25 1HD2 LEU 25 -1.161 2.118 11.569 174 HD22 LEU 25 2HD2 LEU 25 0.192 1.332 10.754 175 HD23 LEU 25 3HD2 LEU 25 -1.414 0.603 10.702 176 H LEU 26 H LEU 26 -0.979 2.180 6.441 177 HA LEU 26 HA LEU 26 -1.372 -0.680 5.857 178 HB2 LEU 26 1HB LEU 26 -0.534 1.558 4.062 179 HB3 LEU 26 2HB LEU 26 0.028 -0.082 3.746 180 HG LEU 26 HG LEU 26 -2.898 0.450 4.053 181 HD11 LEU 26 1HD1 LEU 26 -1.177 1.520 1.967 182 HD12 LEU 26 2HD1 LEU 26 -2.862 1.878 2.343 183 HD13 LEU 26 3HD1 LEU 26 -2.459 0.485 1.338 184 HD21 LEU 26 1HD2 LEU 26 -1.233 -1.540 2.518 185 HD22 LEU 26 2HD2 LEU 26 -2.990 -1.423 2.419 186 HD23 LEU 26 3HD2 LEU 26 -2.218 -1.849 3.947 187 H THR 27 H THR 27 0.098 -1.799 6.944 188 HA THR 27 HA THR 27 2.733 -0.611 7.445 189 HB THR 27 HB THR 27 3.036 -2.355 9.133 190 HG1 THR 27 1HG THR 27 1.480 -3.806 7.865 191 HG21 THR 27 1HG2 THR 27 1.186 -1.689 10.675 192 HG22 THR 27 2HG2 THR 27 0.419 -0.864 9.318 193 HG23 THR 27 3HG2 THR 27 1.996 -0.330 9.898 194 H TRP 28 H TRP 28 4.482 -1.294 6.396 195 HA TRP 28 HA TRP 28 4.415 -3.941 5.111 196 HB2 TRP 28 1HB TRP 28 5.477 -3.060 3.130 197 HB3 TRP 28 2HB TRP 28 4.018 -2.125 3.447 198 HD1 TRP 28 HD TRP 28 7.853 -1.832 3.810 199 HE1 TRP 28 1HE TRP 28 8.473 0.666 3.758 200 HE3 TRP 28 3HE TRP 28 3.150 0.171 3.735 201 HZ2 TRP 28 2HZ TRP 28 7.144 3.155 3.695 202 HZ3 TRP 28 3HZ TRP 28 2.911 2.619 3.680 203 HH2 TRP 28 HH TRP 28 4.868 4.079 3.661 204 H THR 29 H THR 29 6.493 -4.912 4.757 205 HA THR 29 HA THR 29 8.348 -4.303 6.890 206 HB THR 29 HB THR 29 8.515 -6.460 4.777 207 HG1 THR 29 1HG THR 29 7.212 -6.289 7.259 208 HG21 THR 29 1HG2 THR 29 9.816 -6.666 7.444 209 HG22 THR 29 2HG2 THR 29 10.576 -5.637 6.230 210 HG23 THR 29 3HG2 THR 29 10.305 -7.347 5.893 211 H GLU 30 H GLU 30 9.469 -2.461 6.420 212 HA GLU 30 HA GLU 30 10.416 -1.634 3.948 213 HB2 GLU 30 1HB GLU 30 11.203 -1.076 6.771 214 HB3 GLU 30 2HB GLU 30 12.270 -0.528 5.485 215 HG2 GLU 30 1HG GLU 30 10.252 0.595 4.464 216 HG3 GLU 30 2HG GLU 30 9.413 0.249 5.975 217 HA PRO 31 HA PRO 31 13.578 -4.597 3.049 218 HB2 PRO 31 1HB PRO 31 14.709 -3.264 0.971 219 HB3 PRO 31 2HB PRO 31 13.167 -4.119 0.839 220 HG2 PRO 31 1HG PRO 31 13.685 -1.198 1.239 221 HG3 PRO 31 2HG PRO 31 12.508 -1.990 0.175 222 HD2 PRO 31 1HD PRO 31 11.822 -0.925 2.567 223 HD3 PRO 31 2HD PRO 31 11.011 -2.351 1.889 224 HA PRO 32 HA PRO 32 17.346 -3.267 4.884 225 HB2 PRO 32 1HB PRO 32 19.228 -4.485 3.353 226 HB3 PRO 32 2HB PRO 32 18.187 -5.366 4.478 227 HG2 PRO 32 1HG PRO 32 17.925 -5.041 1.513 228 HG3 PRO 32 2HG PRO 32 17.696 -6.494 2.504 229 HD2 PRO 32 1HD PRO 32 15.622 -5.008 1.598 230 HD3 PRO 32 2HD PRO 32 15.571 -5.875 3.146 231 H VAL 33 H VAL 33 16.576 -2.350 1.708 232 HA VAL 33 HA VAL 33 18.811 -0.428 1.654 233 HB VAL 33 HB VAL 33 17.263 -1.548 -0.687 234 HG11 VAL 33 1HG1 VAL 33 17.819 0.506 -1.498 235 HG12 VAL 33 2HG1 VAL 33 19.201 0.684 -0.415 236 HG13 VAL 33 3HG1 VAL 33 19.325 -0.344 -1.843 237 HG21 VAL 33 1HG2 VAL 33 18.686 -3.267 -0.226 238 HG22 VAL 33 2HG2 VAL 33 19.769 -2.265 -1.193 239 HG23 VAL 33 3HG2 VAL 33 19.868 -2.225 0.567 240 H ARG 34 H ARG 34 18.246 1.605 2.017 241 HA ARG 34 HA ARG 34 15.505 2.415 2.105 242 HB2 ARG 34 1HB ARG 34 17.167 3.328 3.661 243 HB3 ARG 34 2HB ARG 34 18.035 4.057 2.316 244 HG2 ARG 34 1HG ARG 34 16.288 5.594 1.900 245 HG3 ARG 34 2HG ARG 34 15.182 4.731 2.969 246 HD2 ARG 34 1HD ARG 34 16.188 5.530 4.878 247 HD3 ARG 34 2HD ARG 34 17.737 5.793 4.077 248 HE ARG 34 HE ARG 34 15.960 7.553 2.911 249 HH11 ARG 34 2HH1 ARG 34 17.227 6.949 6.097 250 HH12 ARG 34 1HH1 ARG 34 17.093 8.600 6.605 251 HH21 ARG 34 2HH2 ARG 34 15.779 9.729 3.568 252 HH22 ARG 34 1HH2 ARG 34 16.269 10.180 5.166 253 HA PRO 35 HA PRO 35 15.407 3.383 -2.274 254 HB2 PRO 35 1HB PRO 35 12.756 3.965 -2.328 255 HB3 PRO 35 2HB PRO 35 13.376 2.310 -2.328 256 HG2 PRO 35 1HG PRO 35 12.309 3.933 -0.050 257 HG3 PRO 35 2HG PRO 35 12.010 2.231 -0.447 258 HD2 PRO 35 1HD PRO 35 13.770 2.994 1.464 259 HD3 PRO 35 2HD PRO 35 14.002 1.534 0.480 260 H ALA 36 H ALA 36 15.484 5.272 -3.410 261 HA ALA 36 HA ALA 36 16.026 7.671 -2.185 262 HB1 ALA 36 1HB ALA 36 16.021 6.781 -4.761 263 HB2 ALA 36 2HB ALA 36 14.732 7.985 -4.792 264 HB3 ALA 36 3HB ALA 36 16.352 8.440 -4.264 265 H GLY 37 H GLY 37 12.906 6.388 -3.189 266 HA2 GLY 37 1HA GLY 37 11.529 8.170 -1.413 267 HA3 GLY 37 2HA GLY 37 11.283 8.593 -3.101 268 H TYR 38 H TYR 38 9.211 7.823 -1.371 269 HA TYR 38 HA TYR 38 8.492 5.166 -2.423 270 HB2 TYR 38 1HB TYR 38 7.956 6.512 0.182 271 HB3 TYR 38 2HB TYR 38 6.723 5.428 -0.453 272 HD1 TYR 38 2HD TYR 38 8.276 3.293 -1.676 273 HD2 TYR 38 1HD TYR 38 8.977 5.410 1.947 274 HE1 TYR 38 2HE TYR 38 9.516 1.360 -0.793 275 HE2 TYR 38 1HE TYR 38 10.220 3.484 2.839 276 HH TYR 38 HH TYR 38 10.506 1.170 2.522 277 H LEU 39 H LEU 39 6.581 4.894 -3.487 278 HA LEU 39 HA LEU 39 4.932 7.302 -3.895 279 HB2 LEU 39 1HB LEU 39 6.411 6.574 -5.836 280 HB3 LEU 39 2HB LEU 39 5.358 5.166 -5.966 281 HG LEU 39 HG LEU 39 4.156 7.898 -6.053 282 HD11 LEU 39 1HD1 LEU 39 5.601 6.543 -8.321 283 HD12 LEU 39 2HD1 LEU 39 5.944 8.125 -7.623 284 HD13 LEU 39 3HD1 LEU 39 4.451 7.865 -8.525 285 HD21 LEU 39 1HD2 LEU 39 3.442 5.461 -7.651 286 HD22 LEU 39 2HD2 LEU 39 2.432 6.843 -7.225 287 HD23 LEU 39 3HD2 LEU 39 2.890 5.670 -5.989 288 H LEU 40 H LEU 40 3.138 6.927 -2.745 289 HA LEU 40 HA LEU 40 1.904 4.264 -2.881 290 HB2 LEU 40 1HB LEU 40 2.374 5.054 -0.639 291 HB3 LEU 40 2HB LEU 40 1.476 6.539 -0.950 292 HG LEU 40 HG LEU 40 -0.549 4.984 -1.304 293 HD11 LEU 40 1HD1 LEU 40 0.014 2.815 -1.288 294 HD12 LEU 40 2HD1 LEU 40 -0.009 2.997 0.466 295 HD13 LEU 40 3HD1 LEU 40 1.517 3.105 -0.412 296 HD21 LEU 40 1HD2 LEU 40 0.747 5.893 1.183 297 HD22 LEU 40 2HD2 LEU 40 -0.539 4.700 1.373 298 HD23 LEU 40 3HD2 LEU 40 -0.866 6.227 0.552 299 H SER 41 H SER 41 0.458 4.118 -4.466 300 HA SER 41 HA SER 41 -1.312 6.419 -4.966 301 HB2 SER 41 1HB SER 41 0.205 5.605 -6.848 302 HB3 SER 41 2HB SER 41 -0.792 4.151 -6.890 303 HG SER 41 HG SER 41 -2.552 5.957 -6.977 304 H PHE 42 H PHE 42 -3.180 6.137 -3.937 305 HA PHE 42 HA PHE 42 -4.370 3.446 -3.891 306 HB2 PHE 42 1HB PHE 42 -5.362 3.930 -1.851 307 HB3 PHE 42 2HB PHE 42 -3.841 4.805 -1.719 308 HD1 PHE 42 1HD PHE 42 -7.448 5.171 -2.409 309 HD2 PHE 42 2HD PHE 42 -3.795 7.150 -1.485 310 HE1 PHE 42 1HE PHE 42 -8.689 7.249 -1.970 311 HE2 PHE 42 2HE PHE 42 -5.030 9.232 -1.044 312 HZ PHE 42 HZ PHE 42 -7.481 9.283 -1.286 313 H HIS 43 H HIS 43 -6.065 3.098 -5.153 314 HA HIS 43 HA HIS 43 -7.855 5.337 -5.791 315 HB2 HIS 43 1HB HIS 43 -7.809 4.965 -8.084 316 HB3 HIS 43 2HB HIS 43 -6.124 4.704 -7.640 317 HD1 HIS 43 1HD HIS 43 -5.920 1.891 -6.847 318 HD2 HIS 43 2HD HIS 43 -8.485 3.087 -9.889 319 HE1 HIS 43 1HE HIS 43 -6.328 -0.168 -8.231 320 HE2 HIS 43 2HE HIS 43 -7.814 0.599 -10.115 321 H THR 44 H THR 44 -9.991 4.672 -6.500 322 HA THR 44 HA THR 44 -10.861 2.290 -5.079 323 HB THR 44 HB THR 44 -12.974 3.185 -5.023 324 HG1 THR 44 1HG THR 44 -13.902 3.890 -6.790 325 HG21 THR 44 1HG2 THR 44 -12.751 5.313 -4.228 326 HG22 THR 44 2HG2 THR 44 -11.777 5.841 -5.601 327 HG23 THR 44 3HG2 THR 44 -11.045 4.880 -4.316 328 HA PRO 45 HA PRO 45 -11.395 -0.306 -8.580 329 HB2 PRO 45 1HB PRO 45 -13.572 -1.744 -7.830 330 HB3 PRO 45 2HB PRO 45 -11.976 -1.969 -7.105 331 HG2 PRO 45 1HG PRO 45 -14.323 -0.419 -6.078 332 HG3 PRO 45 2HG PRO 45 -13.225 -1.500 -5.200 333 HD2 PRO 45 1HD PRO 45 -12.990 1.196 -5.117 334 HD3 PRO 45 2HD PRO 45 -11.588 0.112 -5.008 335 H GLY 46 H GLY 46 -13.388 2.237 -7.964 336 HA2 GLY 46 1HA GLY 46 -14.681 1.972 -10.556 337 HA3 GLY 46 2HA GLY 46 -15.762 2.055 -9.174 338 H GLY 47 H GLY 47 -12.701 3.773 -9.453 339 HA2 GLY 47 1HA GLY 47 -13.984 6.255 -10.199 340 HA3 GLY 47 2HA GLY 47 -13.465 6.193 -8.521 341 H GLN 48 H GLN 48 -12.362 8.138 -9.893 342 HA GLN 48 HA GLN 48 -10.114 7.618 -11.452 343 HB2 GLN 48 1HB GLN 48 -11.359 9.869 -10.619 344 HB3 GLN 48 2HB GLN 48 -9.931 9.913 -9.595 345 HG2 GLN 48 1HG GLN 48 -9.101 11.046 -11.359 346 HG3 GLN 48 2HG GLN 48 -8.737 9.413 -11.916 347 HE21 GLN 48 1HE2 GLN 48 -8.892 11.386 -13.738 348 HE22 GLN 48 2HE2 GLN 48 -10.324 11.226 -14.691 349 H THR 49 H THR 49 -7.840 8.450 -10.580 350 HA THR 49 HA THR 49 -7.256 6.888 -8.148 351 HB THR 49 HB THR 49 -5.628 7.194 -10.669 352 HG1 THR 49 1HG THR 49 -6.159 5.149 -10.954 353 HG21 THR 49 1HG2 THR 49 -4.051 7.473 -8.900 354 HG22 THR 49 2HG2 THR 49 -3.916 5.804 -9.454 355 HG23 THR 49 3HG2 THR 49 -4.781 6.171 -7.962 356 H GLN 50 H GLN 50 -5.453 7.614 -6.859 357 HA GLN 50 HA GLN 50 -4.696 10.420 -7.267 358 HB2 GLN 50 1HB GLN 50 -6.567 10.300 -5.637 359 HB3 GLN 50 2HB GLN 50 -5.579 9.261 -4.619 360 HG2 GLN 50 1HG GLN 50 -4.207 10.967 -3.963 361 HG3 GLN 50 2HG GLN 50 -4.497 11.909 -5.425 362 HE21 GLN 50 1HE2 GLN 50 -5.061 11.786 -2.206 363 HE22 GLN 50 2HE2 GLN 50 -6.485 12.760 -2.117 364 H GLU 51 H GLU 51 -2.595 10.834 -6.935 365 HA GLU 51 HA GLU 51 -0.947 8.653 -5.849 366 HB2 GLU 51 1HB GLU 51 -0.281 10.903 -7.749 367 HB3 GLU 51 2HB GLU 51 0.932 9.846 -7.042 368 HG2 GLU 51 1HG GLU 51 0.117 7.965 -8.184 369 HG3 GLU 51 2HG GLU 51 -1.388 8.777 -8.612 370 H ILE 52 H ILE 52 0.464 8.997 -4.193 371 HA ILE 52 HA ILE 52 0.573 11.708 -3.051 372 HB ILE 52 HB ILE 52 0.316 9.156 -1.456 373 HG12 ILE 52 1HG1 ILE 52 -1.703 11.379 -1.527 374 HG13 ILE 52 2HG1 ILE 52 -1.738 10.106 -2.741 375 HG21 ILE 52 1HG2 ILE 52 0.750 10.325 0.413 376 HG22 ILE 52 2HG2 ILE 52 1.553 11.442 -0.689 377 HG23 ILE 52 3HG2 ILE 52 -0.100 11.759 -0.163 378 HD11 ILE 52 1HD1 ILE 52 -3.054 9.036 -1.301 379 HD12 ILE 52 2HD1 ILE 52 -1.570 8.687 -0.414 380 HD13 ILE 52 3HD1 ILE 52 -2.570 10.064 0.048 381 H LEU 53 H LEU 53 2.561 12.420 -2.612 382 HA LEU 53 HA LEU 53 4.811 10.639 -3.047 383 HB2 LEU 53 1HB LEU 53 4.446 13.146 -3.813 384 HB3 LEU 53 2HB LEU 53 5.164 13.478 -2.239 385 HG LEU 53 HG LEU 53 6.829 13.556 -4.019 386 HD11 LEU 53 1HD1 LEU 53 7.002 11.412 -1.944 387 HD12 LEU 53 2HD1 LEU 53 7.809 12.979 -2.006 388 HD13 LEU 53 3HD1 LEU 53 8.333 11.675 -3.072 389 HD21 LEU 53 1HD2 LEU 53 6.733 10.639 -4.470 390 HD22 LEU 53 2HD2 LEU 53 7.157 11.947 -5.574 391 HD23 LEU 53 3HD2 LEU 53 5.462 11.596 -5.232 392 H LEU 54 H LEU 54 5.548 9.474 -1.403 393 HA LEU 54 HA LEU 54 5.136 10.312 1.334 394 HB2 LEU 54 1HB LEU 54 6.488 7.890 0.156 395 HB3 LEU 54 2HB LEU 54 6.249 8.161 1.881 396 HG LEU 54 HG LEU 54 4.320 7.305 -0.199 397 HD11 LEU 54 1HD1 LEU 54 5.414 6.305 2.196 398 HD12 LEU 54 2HD1 LEU 54 4.212 5.551 1.149 399 HD13 LEU 54 3HD1 LEU 54 3.695 6.574 2.489 400 HD21 LEU 54 1HD2 LEU 54 2.428 8.086 1.210 401 HD22 LEU 54 2HD2 LEU 54 3.312 9.393 0.423 402 HD23 LEU 54 3HD2 LEU 54 3.570 9.059 2.136 403 HA PRO 55 HA PRO 55 9.053 12.157 2.069 404 HB2 PRO 55 1HB PRO 55 9.462 11.482 4.666 405 HB3 PRO 55 2HB PRO 55 8.272 12.688 4.163 406 HG2 PRO 55 1HG PRO 55 7.865 9.811 4.884 407 HG3 PRO 55 2HG PRO 55 6.896 11.226 5.337 408 HD2 PRO 55 1HD PRO 55 6.170 9.539 3.347 409 HD3 PRO 55 2HD PRO 55 5.791 11.273 3.314 410 H GLY 56 H GLY 56 8.625 8.807 2.059 411 HA2 GLY 56 1HA GLY 56 10.084 7.064 1.735 412 HA3 GLY 56 2HA GLY 56 11.297 8.271 1.334 413 H GLY 57 H GLY 57 10.141 6.071 3.699 414 HA2 GLY 57 1HA GLY 57 12.106 5.382 5.170 415 HA3 GLY 57 2HA GLY 57 12.118 7.074 5.646 416 H ILE 58 H ILE 58 9.169 5.291 5.042 417 HA ILE 58 HA ILE 58 8.627 5.305 7.939 418 HB ILE 58 HB ILE 58 6.444 6.031 7.641 419 HG12 ILE 58 1HG1 ILE 58 6.742 5.295 4.724 420 HG13 ILE 58 2HG1 ILE 58 5.738 4.489 5.924 421 HG21 ILE 58 1HG2 ILE 58 7.625 7.524 5.339 422 HG22 ILE 58 2HG2 ILE 58 6.639 8.118 6.673 423 HG23 ILE 58 3HG2 ILE 58 8.326 7.686 6.949 424 HD11 ILE 58 1HD1 ILE 58 5.342 7.319 4.987 425 HD12 ILE 58 2HD1 ILE 58 4.464 5.917 4.375 426 HD13 ILE 58 3HD1 ILE 58 4.290 6.399 6.062 427 H THR 59 H THR 59 7.124 3.683 8.690 428 HA THR 59 HA THR 59 7.204 1.256 7.024 429 HB THR 59 HB THR 59 6.851 0.046 9.229 430 HG1 THR 59 1HG THR 59 7.631 2.580 10.282 431 HG21 THR 59 1HG2 THR 59 9.413 1.583 9.338 432 HG22 THR 59 2HG2 THR 59 9.087 0.532 7.959 433 HG23 THR 59 3HG2 THR 59 9.125 -0.139 9.589 434 H SER 60 H SER 60 5.143 3.636 7.930 435 HA SER 60 HA SER 60 2.827 2.132 7.186 436 HB2 SER 60 1HB SER 60 1.558 2.477 9.272 437 HB3 SER 60 2HB SER 60 2.969 1.453 9.538 438 HG SER 60 HG SER 60 4.051 3.413 10.249 439 H HIS 61 H HIS 61 1.228 3.435 6.419 440 HA HIS 61 HA HIS 61 1.524 6.333 6.848 441 HB2 HIS 61 1HB HIS 61 2.241 5.265 4.530 442 HB3 HIS 61 2HB HIS 61 0.508 5.327 4.228 443 HD1 HIS 61 1HD HIS 61 0.388 7.216 2.589 444 HD2 HIS 61 2HD HIS 61 2.577 8.193 5.982 445 HE1 HIS 61 1HE HIS 61 0.860 9.678 2.398 446 HE2 HIS 61 2HE HIS 61 2.258 10.229 4.419 447 H GLN 62 H GLN 62 -0.238 7.211 7.691 448 HA GLN 62 HA GLN 62 -2.708 5.721 7.800 449 HB2 GLN 62 1HB GLN 62 -1.913 6.974 9.757 450 HB3 GLN 62 2HB GLN 62 -2.029 8.475 8.847 451 HG2 GLN 62 1HG GLN 62 -3.968 8.498 10.082 452 HG3 GLN 62 2HG GLN 62 -4.511 7.821 8.548 453 HE21 GLN 62 1HE2 GLN 62 -5.266 5.762 8.472 454 HE22 GLN 62 2HE2 GLN 62 -5.478 4.764 9.866 455 H LEU 63 H LEU 63 -4.154 5.780 6.223 456 HA LEU 63 HA LEU 63 -4.192 8.018 4.359 457 HB2 LEU 63 1HB LEU 63 -5.479 5.306 4.381 458 HB3 LEU 63 2HB LEU 63 -5.930 6.541 3.208 459 HG LEU 63 HG LEU 63 -3.146 5.425 3.526 460 HD11 LEU 63 1HD1 LEU 63 -4.659 4.822 1.094 461 HD12 LEU 63 2HD1 LEU 63 -5.282 4.049 2.551 462 HD13 LEU 63 3HD1 LEU 63 -3.606 3.792 2.066 463 HD21 LEU 63 1HD2 LEU 63 -2.835 6.484 1.292 464 HD22 LEU 63 2HD2 LEU 63 -3.099 7.634 2.604 465 HD23 LEU 63 3HD2 LEU 63 -4.412 7.250 1.489 466 H LEU 64 H LEU 64 -5.760 9.518 4.244 467 HA LEU 64 HA LEU 64 -8.056 9.222 6.068 468 HB2 LEU 64 1HB LEU 64 -6.452 11.640 5.293 469 HB3 LEU 64 2HB LEU 64 -8.063 11.775 5.996 470 HG LEU 64 HG LEU 64 -7.175 10.474 7.973 471 HD11 LEU 64 1HD1 LEU 64 -4.852 10.411 6.271 472 HD12 LEU 64 2HD1 LEU 64 -5.173 9.539 7.770 473 HD13 LEU 64 3HD1 LEU 64 -4.478 11.159 7.824 474 HD21 LEU 64 1HD2 LEU 64 -5.672 12.577 8.624 475 HD22 LEU 64 2HD2 LEU 64 -7.433 12.655 8.545 476 HD23 LEU 64 3HD2 LEU 64 -6.462 13.241 7.193 477 H GLY 65 H GLY 65 -10.057 10.232 5.398 478 HA2 GLY 65 1HA GLY 65 -11.666 10.861 3.867 479 HA3 GLY 65 2HA GLY 65 -10.379 11.187 2.716 480 H LEU 66 H LEU 66 -12.006 8.434 4.287 481 HA LEU 66 HA LEU 66 -11.835 7.009 1.713 482 HB2 LEU 66 1HB LEU 66 -11.926 5.770 4.457 483 HB3 LEU 66 2HB LEU 66 -11.727 4.927 2.922 484 HG LEU 66 HG LEU 66 -9.728 6.813 4.172 485 HD11 LEU 66 1HD1 LEU 66 -9.020 4.008 3.717 486 HD12 LEU 66 2HD1 LEU 66 -10.265 4.259 4.940 487 HD13 LEU 66 3HD1 LEU 66 -8.698 5.054 5.100 488 HD21 LEU 66 1HD2 LEU 66 -9.441 5.065 1.733 489 HD22 LEU 66 2HD2 LEU 66 -8.256 6.198 2.382 490 HD23 LEU 66 3HD2 LEU 66 -9.760 6.799 1.683 491 H PHE 67 H PHE 67 -13.533 5.101 1.767 492 HA PHE 67 HA PHE 67 -16.106 6.301 2.553 493 HB2 PHE 67 1HB PHE 67 -15.450 4.469 0.237 494 HB3 PHE 67 2HB PHE 67 -17.083 4.950 0.687 495 HD1 PHE 67 2HD PHE 67 -16.673 7.796 1.341 496 HD2 PHE 67 1HD PHE 67 -15.125 5.436 -1.845 497 HE1 PHE 67 2HE PHE 67 -16.459 9.817 -0.047 498 HE2 PHE 67 1HE PHE 67 -14.907 7.453 -3.238 499 HZ PHE 67 HZ PHE 67 -15.576 9.647 -2.340 500 HA PRO 68 HA PRO 68 -16.965 2.851 5.130 501 HB2 PRO 68 1HB PRO 68 -19.668 2.718 4.913 502 HB3 PRO 68 2HB PRO 68 -18.839 3.992 5.814 503 HG2 PRO 68 1HG PRO 68 -19.970 4.061 3.043 504 HG3 PRO 68 2HG PRO 68 -20.068 5.285 4.322 505 HD2 PRO 68 1HD PRO 68 -18.311 5.461 2.270 506 HD3 PRO 68 2HD PRO 68 -17.951 6.087 3.892 507 H SER 69 H SER 69 -16.719 0.739 4.795 508 HA SER 69 HA SER 69 -16.669 -1.294 3.767 509 HB2 SER 69 1HB SER 69 -19.104 -1.090 4.392 510 HB3 SER 69 2HB SER 69 -19.415 -0.539 2.745 511 HG SER 69 HG SER 69 -19.459 -2.557 2.206 512 H THR 70 H THR 70 -15.491 0.835 2.311 513 HA THR 70 HA THR 70 -16.088 0.071 -0.472 514 HB THR 70 HB THR 70 -14.833 2.604 0.599 515 HG1 THR 70 1HG THR 70 -16.804 3.317 -0.781 516 HG21 THR 70 1HG2 THR 70 -13.924 2.972 -1.400 517 HG22 THR 70 2HG2 THR 70 -15.487 2.733 -2.182 518 HG23 THR 70 3HG2 THR 70 -14.420 1.357 -1.903 519 H SER 71 H SER 71 -14.674 -1.297 -1.319 520 HA SER 71 HA SER 71 -12.172 -1.897 -0.137 521 HB2 SER 71 1HB SER 71 -13.461 -3.530 -1.473 522 HB3 SER 71 2HB SER 71 -13.162 -2.567 -2.920 523 HG SER 71 HG SER 71 -11.671 -4.473 -2.073 524 H TYR 72 H TYR 72 -10.130 -1.254 -0.616 525 HA TYR 72 HA TYR 72 -9.791 0.704 -2.787 526 HB2 TYR 72 1HB TYR 72 -9.003 0.925 0.093 527 HB3 TYR 72 2HB TYR 72 -8.019 1.716 -1.133 528 HD1 TYR 72 2HD TYR 72 -8.891 3.598 -2.406 529 HD2 TYR 72 1HD TYR 72 -11.251 1.699 0.582 530 HE1 TYR 72 2HE TYR 72 -10.441 5.508 -2.424 531 HE2 TYR 72 1HE TYR 72 -12.807 3.603 0.571 532 HH TYR 72 HH TYR 72 -13.205 5.653 -0.206 533 H ASN 73 H ASN 73 -7.833 0.667 -3.869 534 HA ASN 73 HA ASN 73 -6.122 -1.656 -3.272 535 HB2 ASN 73 1HB ASN 73 -7.095 -0.466 -5.824 536 HB3 ASN 73 2HB ASN 73 -5.481 -1.171 -5.816 537 HD21 ASN 73 1HD2 ASN 73 -5.311 -3.278 -6.120 538 HD22 ASN 73 2HD2 ASN 73 -6.606 -4.418 -6.026 539 H ALA 74 H ALA 74 -4.334 -1.016 -2.262 540 HA ALA 74 HA ALA 74 -3.153 1.582 -2.902 541 HB1 ALA 74 1HB ALA 74 -1.907 -0.091 -0.823 542 HB2 ALA 74 2HB ALA 74 -2.315 1.626 -0.810 543 HB3 ALA 74 3HB ALA 74 -3.566 0.420 -0.507 544 H ARG 75 H ARG 75 -1.135 1.838 -3.762 545 HA ARG 75 HA ARG 75 0.334 -0.607 -4.490 546 HB2 ARG 75 1HB ARG 75 -0.918 0.369 -6.426 547 HB3 ARG 75 2HB ARG 75 0.038 1.834 -6.246 548 HG2 ARG 75 1HG ARG 75 2.051 0.158 -6.447 549 HG3 ARG 75 2HG ARG 75 0.841 -0.844 -7.250 550 HD2 ARG 75 1HD ARG 75 1.442 2.010 -8.006 551 HD3 ARG 75 2HD ARG 75 2.179 0.610 -8.783 552 HE ARG 75 HE ARG 75 -0.403 1.657 -9.288 553 HH11 ARG 75 2HH1 ARG 75 1.345 -1.342 -9.034 554 HH12 ARG 75 1HH1 ARG 75 0.290 -2.199 -10.108 555 HH21 ARG 75 2HH2 ARG 75 -1.800 0.540 -10.704 556 HH22 ARG 75 1HH2 ARG 75 -1.498 -1.127 -11.058 557 H LEU 76 H LEU 76 2.254 -0.604 -3.542 558 HA LEU 76 HA LEU 76 3.519 1.958 -2.879 559 HB2 LEU 76 1HB LEU 76 3.136 0.316 -1.067 560 HB3 LEU 76 2HB LEU 76 4.193 -0.816 -1.908 561 HG LEU 76 HG LEU 76 6.073 0.748 -1.600 562 HD11 LEU 76 1HD1 LEU 76 5.042 2.384 0.466 563 HD12 LEU 76 2HD1 LEU 76 3.982 2.555 -0.933 564 HD13 LEU 76 3HD1 LEU 76 5.709 2.872 -1.092 565 HD21 LEU 76 1HD2 LEU 76 5.284 -1.062 0.092 566 HD22 LEU 76 2HD2 LEU 76 4.853 0.323 1.096 567 HD23 LEU 76 3HD2 LEU 76 6.523 0.100 0.570 568 H GLN 77 H GLN 77 4.855 2.663 -4.411 569 HA GLN 77 HA GLN 77 6.738 0.735 -5.598 570 HB2 GLN 77 1HB GLN 77 4.852 1.673 -7.113 571 HB3 GLN 77 2HB GLN 77 5.786 3.163 -7.086 572 HG2 GLN 77 1HG GLN 77 7.742 1.506 -7.753 573 HG3 GLN 77 2HG GLN 77 6.386 0.567 -8.377 574 HE21 GLN 77 1HE2 GLN 77 7.219 0.891 -10.483 575 HE22 GLN 77 2HE2 GLN 77 6.978 2.387 -11.312 576 H ALA 78 H ALA 78 8.649 1.155 -4.700 577 HA ALA 78 HA ALA 78 9.374 3.857 -3.927 578 HB1 ALA 78 1HB ALA 78 10.192 1.185 -3.196 579 HB2 ALA 78 2HB ALA 78 11.583 2.220 -3.520 580 HB3 ALA 78 3HB ALA 78 10.386 2.703 -2.319 581 H MET 79 H MET 79 10.934 5.109 -4.858 582 HA MET 79 HA MET 79 11.689 4.422 -7.567 583 HB2 MET 79 1HB MET 79 12.418 6.908 -6.017 584 HB3 MET 79 2HB MET 79 12.438 6.695 -7.762 585 HG2 MET 79 1HG MET 79 9.935 6.295 -7.585 586 HG3 MET 79 2HG MET 79 10.069 6.916 -5.941 587 HE1 MET 79 1HE MET 79 9.403 10.393 -6.322 588 HE2 MET 79 2HE MET 79 9.425 8.884 -5.409 589 HE3 MET 79 3HE MET 79 10.900 9.838 -5.572 590 H TRP 80 H TRP 80 13.528 3.457 -8.091 591 HA TRP 80 HA TRP 80 15.812 3.690 -6.243 592 HB2 TRP 80 1HB TRP 80 14.700 1.334 -7.709 593 HB3 TRP 80 2HB TRP 80 16.436 1.407 -7.414 594 HD1 TRP 80 HD TRP 80 17.228 1.394 -4.809 595 HE1 TRP 80 1HE TRP 80 16.087 0.410 -2.722 596 HE3 TRP 80 3HE TRP 80 12.481 0.889 -6.640 597 HZ2 TRP 80 2HZ TRP 80 13.516 -0.465 -1.953 598 HZ3 TRP 80 3HZ TRP 80 10.740 -0.030 -5.164 599 HH2 TRP 80 HH TRP 80 11.248 -0.693 -2.870 600 H GLY 81 H GLY 81 17.936 3.599 -7.215 601 HA2 GLY 81 1HA GLY 81 18.463 5.371 -9.184 602 HA3 GLY 81 2HA GLY 81 19.493 3.979 -8.886 603 H GLN 82 H GLN 82 17.713 5.566 -11.182 604 HA GLN 82 HA GLN 82 16.703 4.948 -13.166 605 HB2 GLN 82 1HB GLN 82 19.302 3.406 -13.227 606 HB3 GLN 82 2HB GLN 82 18.314 3.769 -14.635 607 HG2 GLN 82 1HG GLN 82 18.662 6.150 -14.286 608 HG3 GLN 82 2HG GLN 82 19.622 5.807 -12.848 609 HE21 GLN 82 1HE2 GLN 82 21.038 7.227 -14.319 610 HE22 GLN 82 2HE2 GLN 82 22.136 6.371 -15.342 611 H SER 83 H SER 83 15.687 3.369 -11.068 612 HA SER 83 HA SER 83 14.796 1.077 -12.585 613 HB2 SER 83 1HB SER 83 16.353 0.755 -10.015 614 HB3 SER 83 2HB SER 83 15.317 -0.507 -10.680 615 HG SER 83 HG SER 83 17.613 -0.587 -11.271 616 H LEU 84 H LEU 84 12.837 0.238 -11.858 617 HA LEU 84 HA LEU 84 11.611 1.618 -9.566 618 HB2 LEU 84 1HB LEU 84 10.337 1.039 -12.236 619 HB3 LEU 84 2HB LEU 84 9.480 1.649 -10.822 620 HG LEU 84 HG LEU 84 11.736 3.133 -12.158 621 HD11 LEU 84 1HD1 LEU 84 9.670 2.676 -13.605 622 HD12 LEU 84 2HD1 LEU 84 10.208 4.346 -13.433 623 HD13 LEU 84 3HD1 LEU 84 8.826 3.764 -12.504 624 HD21 LEU 84 1HD2 LEU 84 9.595 4.433 -10.574 625 HD22 LEU 84 2HD2 LEU 84 11.303 4.846 -10.729 626 HD23 LEU 84 3HD2 LEU 84 10.809 3.505 -9.693 627 H LEU 85 H LEU 85 12.332 -0.412 -8.515 628 HA LEU 85 HA LEU 85 11.708 -2.967 -8.998 629 HB2 LEU 85 1HB LEU 85 11.192 -1.584 -6.369 630 HB3 LEU 85 2HB LEU 85 11.397 -3.320 -6.595 631 HG LEU 85 HG LEU 85 13.494 -1.182 -6.953 632 HD11 LEU 85 1HD1 LEU 85 12.659 -2.308 -4.650 633 HD12 LEU 85 2HD1 LEU 85 14.313 -1.771 -4.942 634 HD13 LEU 85 3HD1 LEU 85 13.890 -3.470 -5.146 635 HD21 LEU 85 1HD2 LEU 85 14.926 -3.369 -7.172 636 HD22 LEU 85 2HD2 LEU 85 14.136 -2.663 -8.582 637 HD23 LEU 85 3HD2 LEU 85 13.410 -4.048 -7.765 638 HA PRO 86 HA PRO 86 7.375 -3.524 -9.442 639 HB2 PRO 86 1HB PRO 86 7.075 -6.035 -8.452 640 HB3 PRO 86 2HB PRO 86 7.839 -5.701 -10.011 641 HG2 PRO 86 1HG PRO 86 9.112 -6.262 -7.360 642 HG3 PRO 86 2HG PRO 86 9.551 -6.876 -8.965 643 HD2 PRO 86 1HD PRO 86 10.878 -4.840 -7.771 644 HD3 PRO 86 2HD PRO 86 10.681 -4.950 -9.532 645 HA PRO 87 HA PRO 87 5.932 -2.228 -5.393 646 HB2 PRO 87 1HB PRO 87 3.479 -1.439 -6.249 647 HB3 PRO 87 2HB PRO 87 4.934 -0.459 -6.467 648 HG2 PRO 87 1HG PRO 87 3.549 -2.256 -8.420 649 HG3 PRO 87 2HG PRO 87 4.230 -0.639 -8.676 650 HD2 PRO 87 1HD PRO 87 5.525 -2.899 -9.416 651 HD3 PRO 87 2HD PRO 87 6.382 -1.440 -8.879 652 H VAL 88 H VAL 88 4.038 -2.760 -4.034 653 HA VAL 88 HA VAL 88 3.038 -5.464 -4.644 654 HB VAL 88 HB VAL 88 2.614 -5.403 -2.044 655 HG11 VAL 88 1HG1 VAL 88 5.434 -5.755 -3.030 656 HG12 VAL 88 2HG1 VAL 88 4.618 -6.616 -1.724 657 HG13 VAL 88 3HG1 VAL 88 4.142 -6.896 -3.399 658 HG21 VAL 88 1HG2 VAL 88 4.978 -3.550 -2.287 659 HG22 VAL 88 2HG2 VAL 88 3.347 -3.021 -1.875 660 HG23 VAL 88 3HG2 VAL 88 4.214 -4.123 -0.805 661 H SER 89 H SER 89 0.950 -5.605 -5.094 662 HA SER 89 HA SER 89 -0.834 -3.424 -4.294 663 HB2 SER 89 1HB SER 89 -2.365 -4.272 -5.989 664 HB3 SER 89 2HB SER 89 -0.760 -4.067 -6.691 665 HG SER 89 HG SER 89 -1.093 -6.064 -7.297 666 H THR 90 H THR 90 -2.407 -3.674 -2.832 667 HA THR 90 HA THR 90 -3.267 -6.366 -2.075 668 HB THR 90 HB THR 90 -1.408 -5.599 -0.525 669 HG1 THR 90 1HG THR 90 -3.975 -6.430 0.222 670 HG21 THR 90 1HG2 THR 90 -1.980 -3.973 1.194 671 HG22 THR 90 2HG2 THR 90 -3.554 -3.707 0.444 672 HG23 THR 90 3HG2 THR 90 -2.082 -3.233 -0.403 673 H SER 91 H SER 91 -5.401 -6.492 -1.752 674 HA SER 91 HA SER 91 -6.951 -4.021 -1.860 675 HB2 SER 91 1HB SER 91 -8.893 -5.653 -2.137 676 HB3 SER 91 2HB SER 91 -7.698 -5.638 -3.434 677 HG SER 91 HG SER 91 -8.284 -7.609 -1.573 678 H PHE 92 H PHE 92 -7.928 -3.166 -0.149 679 HA PHE 92 HA PHE 92 -8.434 -4.872 2.193 680 HB2 PHE 92 1HB PHE 92 -7.694 -3.103 3.685 681 HB3 PHE 92 2HB PHE 92 -6.397 -3.509 2.567 682 HD1 PHE 92 2HD PHE 92 -8.856 -0.981 3.532 683 HD2 PHE 92 1HD PHE 92 -5.668 -1.948 0.883 684 HE1 PHE 92 2HE PHE 92 -8.688 1.384 2.876 685 HE2 PHE 92 1HE PHE 92 -5.494 0.416 0.223 686 HZ PHE 92 HZ PHE 92 -7.006 2.085 1.219 687 H THR 93 H THR 93 -10.341 -4.546 3.228 688 HA THR 93 HA THR 93 -12.166 -2.595 2.004 689 HB THR 93 HB THR 93 -12.875 -4.990 3.708 690 HG1 THR 93 1HG THR 93 -11.950 -5.579 1.673 691 HG21 THR 93 1HG2 THR 93 -15.110 -4.548 2.436 692 HG22 THR 93 2HG2 THR 93 -14.460 -2.920 2.240 693 HG23 THR 93 3HG2 THR 93 -14.708 -3.583 3.855 694 H THR 94 H THR 94 -13.112 -1.015 3.173 695 HA THR 94 HA THR 94 -12.113 -0.548 5.853 696 HB THR 94 HB THR 94 -13.407 1.603 5.670 697 HG1 THR 94 1HG THR 94 -14.953 0.926 4.129 698 HG21 THR 94 1HG2 THR 94 -11.068 0.765 4.201 699 HG22 THR 94 2HG2 THR 94 -11.389 2.295 5.016 700 HG23 THR 94 3HG2 THR 94 -11.914 2.056 3.349 701 H GLY 95 H GLY 95 -13.399 -0.263 7.702 702 HA2 GLY 95 1HA GLY 95 -15.534 -2.072 7.999 703 HA3 GLY 95 2HA GLY 95 -15.084 -0.827 9.154 704 H GLY 96 H GLY 96 -17.473 -0.811 9.461 705 HA2 GLY 96 1HA GLY 96 -18.747 0.933 7.442 706 HA3 GLY 96 2HA GLY 96 -19.629 -0.285 8.353 707 H LEU 97 H LEU 97 -20.417 2.386 8.268 708 HA LEU 97 HA LEU 97 -19.516 3.664 10.707 709 HB2 LEU 97 1HB LEU 97 -21.687 4.448 8.769 710 HB3 LEU 97 2HB LEU 97 -21.089 5.439 10.097 711 HG LEU 97 HG LEU 97 -19.357 4.543 7.802 712 HD11 LEU 97 1HD1 LEU 97 -19.728 7.148 7.322 713 HD12 LEU 97 2HD1 LEU 97 -21.307 6.753 7.999 714 HD13 LEU 97 3HD1 LEU 97 -20.711 5.883 6.586 715 HD21 LEU 97 1HD2 LEU 97 -17.725 5.434 9.010 716 HD22 LEU 97 2HD2 LEU 97 -18.867 5.860 10.284 717 HD23 LEU 97 3HD2 LEU 97 -18.557 6.989 8.965 718 H ARG 98 H ARG 98 -20.252 1.713 11.959 719 HA ARG 98 HA ARG 98 -21.842 0.505 13.133 720 HB2 ARG 98 1HB ARG 98 -22.929 1.931 14.806 721 HB3 ARG 98 2HB ARG 98 -21.244 2.381 14.580 722 HG2 ARG 98 1HG ARG 98 -23.295 3.822 12.990 723 HG3 ARG 98 2HG ARG 98 -23.164 4.182 14.713 724 HD2 ARG 98 1HD ARG 98 -20.680 4.104 13.073 725 HD3 ARG 98 2HD ARG 98 -21.747 5.499 12.923 726 HE ARG 98 HE ARG 98 -19.995 4.931 15.079 727 HH11 ARG 98 2HH1 ARG 98 -23.121 6.275 14.345 728 HH12 ARG 98 1HH1 ARG 98 -23.147 7.311 15.734 729 HH21 ARG 98 2HH2 ARG 98 -20.017 6.290 16.911 730 HH22 ARG 98 1HH2 ARG 98 -21.380 7.320 17.192 731 H ILE 99 H ILE 99 -22.771 0.488 10.620 732 HA ILE 99 HA ILE 99 -25.100 1.654 9.871 733 HB ILE 99 HB ILE 99 -24.511 -1.296 9.591 734 HG12 ILE 99 1HG1 ILE 99 -23.836 -0.304 7.215 735 HG13 ILE 99 2HG1 ILE 99 -23.530 1.139 8.176 736 HG21 ILE 99 1HG2 ILE 99 -26.164 0.397 7.743 737 HG22 ILE 99 2HG2 ILE 99 -26.066 -1.361 7.837 738 HG23 ILE 99 3HG2 ILE 99 -26.871 -0.453 9.117 739 HD11 ILE 99 1HD1 ILE 99 -22.353 -1.048 9.523 740 HD12 ILE 99 2HD1 ILE 99 -21.890 -1.143 7.823 741 HD13 ILE 99 3HD1 ILE 99 -21.562 0.324 8.746 742 H SER 100 H SER 100 -24.767 -1.033 12.151 743 HA SER 100 HA SER 100 -27.527 -0.517 13.031 744 HB2 SER 100 1HB SER 100 -27.086 -2.697 11.647 745 HB3 SER 100 2HB SER 100 -26.379 -3.287 13.151 746 HG SER 100 HG SER 100 -28.555 -2.339 13.988 747 H GLY 101 H GLY 101 -25.642 0.808 14.312 748 HA2 GLY 101 1HA GLY 101 -24.829 1.221 16.420 749 HA3 GLY 101 2HA GLY 101 -25.822 -0.120 16.974 750 HA PRO 102 HA PRO 102 -21.437 -1.349 17.655 751 HB2 PRO 102 1HB PRO 102 -21.919 -2.549 20.042 752 HB3 PRO 102 2HB PRO 102 -21.609 -0.816 19.883 753 HG2 PRO 102 1HG PRO 102 -24.219 -2.257 20.161 754 HG3 PRO 102 2HG PRO 102 -23.676 -0.763 20.948 755 HD2 PRO 102 1HD PRO 102 -25.328 -0.762 18.802 756 HD3 PRO 102 2HD PRO 102 -24.149 0.531 19.100 757 H SER 103 H SER 103 -20.508 -3.471 17.768 758 HA SER 103 HA SER 103 -22.023 -5.429 16.348 759 HB2 SER 103 1HB SER 103 -20.009 -6.756 16.373 760 HB3 SER 103 2HB SER 103 -19.550 -5.076 16.092 761 HG SER 103 HG SER 103 -18.381 -5.199 17.819 762 H SER 104 H SER 104 -23.594 -6.522 17.335 763 HA SER 104 HA SER 104 -23.034 -7.656 19.998 764 HB2 SER 104 1HB SER 104 -25.426 -7.518 20.484 765 HB3 SER 104 2HB SER 104 -24.801 -5.925 20.059 766 HG SER 104 HG SER 104 -26.003 -7.634 18.153 767 H GLY 105 H GLY 105 -23.290 -9.805 20.269 768 HA2 GLY 105 1HA GLY 105 -24.394 -11.319 17.982 769 HA3 GLY 105 2HA GLY 105 -22.987 -11.852 18.890 Start of MODEL 16 1 H1 GLY 1 H GLY 1 25.324 -9.028 -18.130 2 HA2 GLY 1 1HA GLY 1 24.876 -11.756 -17.143 3 HA3 GLY 1 2HA GLY 1 23.899 -10.348 -16.755 4 H SER 2 H SER 2 22.514 -12.500 -17.394 5 HA SER 2 HA SER 2 22.039 -12.884 -20.164 6 HB2 SER 2 1HB SER 2 21.413 -14.648 -18.682 7 HB3 SER 2 2HB SER 2 20.421 -13.566 -17.705 8 HG SER 2 HG SER 2 19.732 -14.979 -19.877 9 H SER 3 H SER 3 20.349 -11.013 -17.665 10 HA SER 3 HA SER 3 19.027 -9.501 -19.820 11 HB2 SER 3 1HB SER 3 17.370 -10.918 -18.724 12 HB3 SER 3 2HB SER 3 17.850 -10.295 -17.145 13 HG SER 3 HG SER 3 16.243 -9.169 -19.075 14 H GLY 4 H GLY 4 18.713 -7.280 -19.467 15 HA2 GLY 4 1HA GLY 4 20.629 -6.134 -17.581 16 HA3 GLY 4 2HA GLY 4 19.855 -5.292 -18.915 17 H SER 5 H SER 5 18.546 -7.144 -16.171 18 HA SER 5 HA SER 5 16.889 -4.797 -15.522 19 HB2 SER 5 1HB SER 5 16.372 -7.724 -14.944 20 HB3 SER 5 2HB SER 5 15.313 -6.391 -14.484 21 HG SER 5 HG SER 5 14.458 -6.713 -16.375 22 H SER 6 H SER 6 16.831 -4.009 -13.463 23 HA SER 6 HA SER 6 19.013 -4.123 -11.831 24 HB2 SER 6 1HB SER 6 16.171 -3.732 -10.863 25 HB3 SER 6 2HB SER 6 17.639 -3.162 -10.068 26 HG SER 6 HG SER 6 16.297 -2.147 -12.268 27 H GLY 7 H GLY 7 18.999 -4.909 -9.466 28 HA2 GLY 7 1HA GLY 7 17.756 -7.549 -9.188 29 HA3 GLY 7 2HA GLY 7 19.510 -7.454 -9.113 30 H LEU 8 H LEU 8 16.924 -5.407 -7.767 31 HA LEU 8 HA LEU 8 18.255 -5.610 -5.157 32 HB2 LEU 8 1HB LEU 8 16.204 -3.616 -6.107 33 HB3 LEU 8 2HB LEU 8 17.046 -3.585 -4.559 34 HG LEU 8 HG LEU 8 19.183 -3.441 -6.071 35 HD11 LEU 8 1HD1 LEU 8 17.047 -2.337 -7.890 36 HD12 LEU 8 2HD1 LEU 8 18.018 -3.779 -8.185 37 HD13 LEU 8 3HD1 LEU 8 18.789 -2.194 -8.131 38 HD21 LEU 8 1HD2 LEU 8 19.205 -1.125 -5.742 39 HD22 LEU 8 2HD2 LEU 8 18.147 -1.735 -4.469 40 HD23 LEU 8 3HD2 LEU 8 17.454 -0.993 -5.912 41 H GLU 9 H GLU 9 16.421 -5.082 -3.356 42 HA GLU 9 HA GLU 9 14.446 -7.239 -3.681 43 HB2 GLU 9 1HB GLU 9 15.995 -6.213 -1.345 44 HB3 GLU 9 2HB GLU 9 14.407 -6.910 -1.055 45 HG2 GLU 9 1HG GLU 9 16.728 -8.274 -2.400 46 HG3 GLU 9 2HG GLU 9 16.145 -8.569 -0.762 47 H ALA 10 H ALA 10 12.319 -6.829 -3.502 48 HA ALA 10 HA ALA 10 11.508 -4.042 -3.199 49 HB1 ALA 10 1HB ALA 10 10.010 -4.531 -4.759 50 HB2 ALA 10 2HB ALA 10 10.636 -6.180 -4.815 51 HB3 ALA 10 3HB ALA 10 9.303 -5.779 -3.732 52 HA PRO 11 HA PRO 11 9.598 -4.397 0.735 53 HB2 PRO 11 1HB PRO 11 7.170 -3.230 0.397 54 HB3 PRO 11 2HB PRO 11 8.682 -2.314 0.415 55 HG2 PRO 11 1HG PRO 11 7.058 -3.245 -1.922 56 HG3 PRO 11 2HG PRO 11 7.847 -1.678 -1.660 57 HD2 PRO 11 1HD PRO 11 8.921 -3.606 -3.229 58 HD3 PRO 11 2HD PRO 11 9.916 -2.473 -2.292 59 H ARG 12 H ARG 12 8.299 -5.703 1.980 60 HA ARG 12 HA ARG 12 6.259 -7.319 0.631 61 HB2 ARG 12 1HB ARG 12 7.097 -9.354 1.762 62 HB3 ARG 12 2HB ARG 12 8.251 -8.697 0.610 63 HG2 ARG 12 1HG ARG 12 9.651 -7.884 2.307 64 HG3 ARG 12 2HG ARG 12 8.400 -8.069 3.538 65 HD2 ARG 12 1HD ARG 12 8.721 -10.328 3.721 66 HD3 ARG 12 2HD ARG 12 9.291 -10.490 2.060 67 HE ARG 12 HE ARG 12 11.183 -8.999 3.454 68 HH11 ARG 12 2HH1 ARG 12 9.852 -12.216 3.483 69 HH12 ARG 12 1HH1 ARG 12 11.298 -12.950 4.092 70 HH21 ARG 12 2HH2 ARG 12 13.093 -9.954 4.257 71 HH22 ARG 12 1HH2 ARG 12 13.141 -11.662 4.533 72 H ASP 13 H ASP 13 5.222 -8.807 2.468 73 HA ASP 13 HA ASP 13 3.842 -8.852 4.276 74 HB2 ASP 13 1HB ASP 13 6.086 -7.170 5.394 75 HB3 ASP 13 2HB ASP 13 4.716 -7.704 6.364 76 H LEU 14 H LEU 14 3.274 -6.954 2.255 77 HA LEU 14 HA LEU 14 2.499 -4.488 3.550 78 HB2 LEU 14 1HB LEU 14 3.213 -4.273 1.309 79 HB3 LEU 14 2HB LEU 14 2.160 -5.579 0.771 80 HG LEU 14 HG LEU 14 0.264 -3.931 1.565 81 HD11 LEU 14 1HD1 LEU 14 2.299 -1.921 0.684 82 HD12 LEU 14 2HD1 LEU 14 2.117 -2.337 2.388 83 HD13 LEU 14 3HD1 LEU 14 0.753 -1.664 1.494 84 HD21 LEU 14 1HD2 LEU 14 1.509 -3.059 -0.973 85 HD22 LEU 14 2HD2 LEU 14 -0.142 -3.579 -0.636 86 HD23 LEU 14 3HD2 LEU 14 1.140 -4.777 -0.815 87 H GLU 15 H GLU 15 0.859 -4.657 4.958 88 HA GLU 15 HA GLU 15 -1.670 -5.756 3.957 89 HB2 GLU 15 1HB GLU 15 -0.533 -7.433 5.431 90 HB3 GLU 15 2HB GLU 15 -0.626 -6.269 6.745 91 HG2 GLU 15 1HG GLU 15 -2.456 -7.606 7.138 92 HG3 GLU 15 2HG GLU 15 -3.160 -6.260 6.243 93 H ALA 16 H ALA 16 -3.557 -4.893 4.977 94 HA ALA 16 HA ALA 16 -3.151 -2.157 5.893 95 HB1 ALA 16 1HB ALA 16 -5.747 -2.193 5.713 96 HB2 ALA 16 2HB ALA 16 -4.767 -2.169 4.246 97 HB3 ALA 16 3HB ALA 16 -5.479 -3.682 4.807 98 H LYS 17 H LYS 17 -3.056 -1.720 7.986 99 HA LYS 17 HA LYS 17 -4.421 -3.516 9.876 100 HB2 LYS 17 1HB LYS 17 -2.120 -1.612 10.349 101 HB3 LYS 17 2HB LYS 17 -2.858 -2.637 11.572 102 HG2 LYS 17 1HG LYS 17 -2.241 -4.545 9.870 103 HG3 LYS 17 2HG LYS 17 -1.055 -3.359 9.322 104 HD2 LYS 17 1HD LYS 17 -0.089 -3.223 11.513 105 HD3 LYS 17 2HD LYS 17 -1.375 -4.223 12.194 106 HE2 LYS 17 1HE LYS 17 -0.609 -6.144 11.013 107 HE3 LYS 17 2HE LYS 17 0.510 -5.181 10.049 108 HZ1 LYS 17 1HZ LYS 17 2.040 -5.219 11.657 109 HZ2 LYS 17 2HZ LYS 17 1.165 -6.520 12.291 110 HZ3 LYS 17 3HZ LYS 17 0.916 -4.959 12.894 111 H GLU 18 H GLU 18 -5.327 -2.497 11.829 112 HA GLU 18 HA GLU 18 -6.972 -1.146 12.672 113 HB2 GLU 18 1HB GLU 18 -5.159 1.091 11.775 114 HB3 GLU 18 2HB GLU 18 -6.255 1.079 13.150 115 HG2 GLU 18 1HG GLU 18 -3.714 -0.502 12.845 116 HG3 GLU 18 2HG GLU 18 -4.002 0.856 13.932 117 H VAL 19 H VAL 19 -7.744 -1.951 10.215 118 HA VAL 19 HA VAL 19 -8.357 0.191 8.437 119 HB VAL 19 HB VAL 19 -9.528 -2.586 8.639 120 HG11 VAL 19 1HG1 VAL 19 -10.015 -1.895 6.109 121 HG12 VAL 19 2HG1 VAL 19 -11.171 -1.613 7.413 122 HG13 VAL 19 3HG1 VAL 19 -10.131 -0.301 6.855 123 HG21 VAL 19 1HG2 VAL 19 -8.084 -2.476 6.334 124 HG22 VAL 19 2HG2 VAL 19 -7.124 -1.451 7.401 125 HG23 VAL 19 3HG2 VAL 19 -7.486 -3.114 7.866 126 H THR 20 H THR 20 -9.790 1.738 8.800 127 HA THR 20 HA THR 20 -12.267 1.061 10.244 128 HB THR 20 HB THR 20 -12.080 3.648 10.881 129 HG1 THR 20 1HG THR 20 -9.763 3.899 11.513 130 HG21 THR 20 1HG2 THR 20 -12.395 2.309 12.700 131 HG22 THR 20 2HG2 THR 20 -10.698 2.712 12.962 132 HG23 THR 20 3HG2 THR 20 -11.135 1.173 12.219 133 HA PRO 21 HA PRO 21 -14.517 2.920 6.967 134 HB2 PRO 21 1HB PRO 21 -16.559 4.129 8.285 135 HB3 PRO 21 2HB PRO 21 -16.436 2.375 8.107 136 HG2 PRO 21 1HG PRO 21 -15.696 4.099 10.440 137 HG3 PRO 21 2HG PRO 21 -16.543 2.541 10.424 138 HD2 PRO 21 1HD PRO 21 -13.910 2.762 11.017 139 HD3 PRO 21 2HD PRO 21 -14.588 1.339 10.201 140 H ARG 22 H ARG 22 -13.032 4.842 9.353 141 HA ARG 22 HA ARG 22 -13.644 7.320 7.896 142 HB2 ARG 22 1HB ARG 22 -12.862 6.725 10.716 143 HB3 ARG 22 2HB ARG 22 -12.414 8.281 10.029 144 HG2 ARG 22 1HG ARG 22 -15.233 7.254 9.958 145 HG3 ARG 22 2HG ARG 22 -14.591 8.171 11.322 146 HD2 ARG 22 1HD ARG 22 -14.106 10.049 9.886 147 HD3 ARG 22 2HD ARG 22 -14.590 9.127 8.463 148 HE ARG 22 HE ARG 22 -16.709 9.263 10.339 149 HH11 ARG 22 2HH1 ARG 22 -15.004 11.160 7.970 150 HH12 ARG 22 1HH1 ARG 22 -16.355 12.190 7.631 151 HH21 ARG 22 2HH2 ARG 22 -18.496 10.612 9.901 152 HH22 ARG 22 1HH2 ARG 22 -18.340 11.878 8.730 153 H THR 23 H THR 23 -11.106 5.124 8.771 154 HA THR 23 HA THR 23 -9.310 6.374 6.899 155 HB THR 23 HB THR 23 -7.437 6.561 8.571 156 HG1 THR 23 1HG THR 23 -9.571 5.929 10.274 157 HG21 THR 23 1HG2 THR 23 -9.708 8.414 9.253 158 HG22 THR 23 2HG2 THR 23 -8.870 8.485 7.702 159 HG23 THR 23 3HG2 THR 23 -7.982 8.768 9.199 160 H ALA 24 H ALA 24 -7.142 5.160 6.902 161 HA ALA 24 HA ALA 24 -7.297 2.431 7.882 162 HB1 ALA 24 1HB ALA 24 -6.909 1.464 5.632 163 HB2 ALA 24 2HB ALA 24 -8.497 2.211 5.810 164 HB3 ALA 24 3HB ALA 24 -7.219 3.054 4.934 165 H LEU 25 H LEU 25 -5.352 1.868 8.594 166 HA LEU 25 HA LEU 25 -3.015 3.353 7.629 167 HB2 LEU 25 1HB LEU 25 -3.210 3.519 9.967 168 HB3 LEU 25 2HB LEU 25 -3.578 1.804 10.138 169 HG LEU 25 HG LEU 25 -1.119 1.555 9.183 170 HD11 LEU 25 1HD1 LEU 25 -1.333 4.375 10.019 171 HD12 LEU 25 2HD1 LEU 25 -0.251 3.611 8.855 172 HD13 LEU 25 3HD1 LEU 25 0.091 3.499 10.582 173 HD21 LEU 25 1HD2 LEU 25 -1.490 2.361 12.053 174 HD22 LEU 25 2HD2 LEU 25 -0.392 1.156 11.379 175 HD23 LEU 25 3HD2 LEU 25 -2.128 0.847 11.412 176 H LEU 26 H LEU 26 -1.486 2.401 6.445 177 HA LEU 26 HA LEU 26 -1.584 -0.530 6.166 178 HB2 LEU 26 1HB LEU 26 -1.014 1.665 4.224 179 HB3 LEU 26 2HB LEU 26 -0.305 0.073 3.969 180 HG LEU 26 HG LEU 26 -3.247 0.266 4.394 181 HD11 LEU 26 1HD1 LEU 26 -2.889 0.367 1.640 182 HD12 LEU 26 2HD1 LEU 26 -1.828 1.623 2.277 183 HD13 LEU 26 3HD1 LEU 26 -3.547 1.636 2.673 184 HD21 LEU 26 1HD2 LEU 26 -2.000 -1.893 4.189 185 HD22 LEU 26 2HD2 LEU 26 -1.598 -1.436 2.534 186 HD23 LEU 26 3HD2 LEU 26 -3.284 -1.669 3.001 187 H THR 27 H THR 27 0.304 -1.708 6.248 188 HA THR 27 HA THR 27 2.763 -0.230 6.910 189 HB THR 27 HB THR 27 3.341 -1.886 8.600 190 HG1 THR 27 1HG THR 27 2.338 -3.742 8.055 191 HG21 THR 27 1HG2 THR 27 0.566 -1.171 9.390 192 HG22 THR 27 2HG2 THR 27 1.669 0.143 8.978 193 HG23 THR 27 3HG2 THR 27 2.078 -0.979 10.276 194 H TRP 28 H TRP 28 4.690 -1.141 6.219 195 HA TRP 28 HA TRP 28 4.603 -3.678 4.781 196 HB2 TRP 28 1HB TRP 28 5.561 -2.777 2.757 197 HB3 TRP 28 2HB TRP 28 4.084 -1.889 3.120 198 HD1 TRP 28 HD TRP 28 7.835 -1.442 2.780 199 HE1 TRP 28 1HE TRP 28 8.399 1.066 2.907 200 HE3 TRP 28 3HE TRP 28 3.262 0.348 4.203 201 HZ2 TRP 28 2HZ TRP 28 7.081 3.483 3.529 202 HZ3 TRP 28 3HZ TRP 28 2.998 2.770 4.543 203 HH2 TRP 28 HH TRP 28 4.869 4.304 4.213 204 H THR 29 H THR 29 6.737 -4.523 4.284 205 HA THR 29 HA THR 29 8.649 -3.792 6.352 206 HB THR 29 HB THR 29 8.434 -6.137 4.477 207 HG1 THR 29 1HG THR 29 8.397 -5.782 7.301 208 HG21 THR 29 1HG2 THR 29 10.783 -5.618 4.513 209 HG22 THR 29 2HG2 THR 29 10.505 -7.006 5.564 210 HG23 THR 29 3HG2 THR 29 10.755 -5.406 6.262 211 H GLU 30 H GLU 30 10.687 -3.016 6.002 212 HA GLU 30 HA GLU 30 11.182 -1.873 3.369 213 HB2 GLU 30 1HB GLU 30 12.180 -1.368 6.126 214 HB3 GLU 30 2HB GLU 30 13.254 -0.974 4.792 215 HG2 GLU 30 1HG GLU 30 11.233 0.302 3.832 216 HG3 GLU 30 2HG GLU 30 10.588 0.193 5.469 217 HA PRO 31 HA PRO 31 14.004 -5.082 2.238 218 HB2 PRO 31 1HB PRO 31 15.160 -3.812 0.136 219 HB3 PRO 31 2HB PRO 31 13.535 -4.503 0.065 220 HG2 PRO 31 1HG PRO 31 14.366 -1.661 0.504 221 HG3 PRO 31 2HG PRO 31 13.064 -2.302 -0.515 222 HD2 PRO 31 1HD PRO 31 12.609 -1.240 1.934 223 HD3 PRO 31 2HD PRO 31 11.625 -2.559 1.267 224 HA PRO 32 HA PRO 32 17.988 -4.197 3.875 225 HB2 PRO 32 1HB PRO 32 19.661 -5.492 2.174 226 HB3 PRO 32 2HB PRO 32 18.610 -6.337 3.316 227 HG2 PRO 32 1HG PRO 32 18.210 -5.831 0.393 228 HG3 PRO 32 2HG PRO 32 17.907 -7.309 1.324 229 HD2 PRO 32 1HD PRO 32 15.929 -5.600 0.620 230 HD3 PRO 32 2HD PRO 32 15.887 -6.541 2.125 231 H VAL 33 H VAL 33 17.012 -2.865 0.986 232 HA VAL 33 HA VAL 33 19.368 -1.107 0.923 233 HB VAL 33 HB VAL 33 17.958 -2.226 -1.504 234 HG11 VAL 33 1HG1 VAL 33 18.882 -0.636 -2.776 235 HG12 VAL 33 2HG1 VAL 33 19.096 0.259 -1.271 236 HG13 VAL 33 3HG1 VAL 33 20.419 -0.714 -1.915 237 HG21 VAL 33 1HG2 VAL 33 19.456 -3.863 -1.401 238 HG22 VAL 33 2HG2 VAL 33 20.735 -2.665 -1.600 239 HG23 VAL 33 3HG2 VAL 33 20.210 -3.134 0.017 240 H ARG 34 H ARG 34 17.820 0.141 2.289 241 HA ARG 34 HA ARG 34 15.393 1.132 1.700 242 HB2 ARG 34 1HB ARG 34 17.168 1.793 3.546 243 HB3 ARG 34 2HB ARG 34 17.456 3.150 2.466 244 HG2 ARG 34 1HG ARG 34 15.089 3.756 2.598 245 HG3 ARG 34 2HG ARG 34 14.811 2.401 3.694 246 HD2 ARG 34 1HD ARG 34 16.694 4.699 4.216 247 HD3 ARG 34 2HD ARG 34 15.063 4.558 4.871 248 HE ARG 34 HE ARG 34 16.449 2.245 5.561 249 HH11 ARG 34 2HH1 ARG 34 16.575 5.663 6.210 250 HH12 ARG 34 1HH1 ARG 34 17.263 5.470 7.788 251 HH21 ARG 34 2HH2 ARG 34 17.356 1.978 7.637 252 HH22 ARG 34 1HH2 ARG 34 17.708 3.374 8.598 253 HA PRO 35 HA PRO 35 15.959 2.870 -2.381 254 HB2 PRO 35 1HB PRO 35 13.349 3.523 -2.741 255 HB3 PRO 35 2HB PRO 35 13.961 1.875 -2.924 256 HG2 PRO 35 1HG PRO 35 12.555 3.127 -0.596 257 HG3 PRO 35 2HG PRO 35 12.320 1.522 -1.313 258 HD2 PRO 35 1HD PRO 35 13.764 1.911 0.944 259 HD3 PRO 35 2HD PRO 35 14.144 0.629 -0.224 260 H ALA 36 H ALA 36 15.380 4.966 -3.424 261 HA ALA 36 HA ALA 36 16.158 7.140 -1.827 262 HB1 ALA 36 1HB ALA 36 16.480 8.063 -3.817 263 HB2 ALA 36 2HB ALA 36 15.722 6.657 -4.566 264 HB3 ALA 36 3HB ALA 36 14.745 8.061 -4.135 265 H GLY 37 H GLY 37 12.970 6.429 -3.276 266 HA2 GLY 37 1HA GLY 37 11.717 7.770 -0.986 267 HA3 GLY 37 2HA GLY 37 11.328 8.343 -2.601 268 H TYR 38 H TYR 38 9.121 7.774 -1.820 269 HA TYR 38 HA TYR 38 8.494 5.050 -2.674 270 HB2 TYR 38 1HB TYR 38 7.930 6.212 0.018 271 HB3 TYR 38 2HB TYR 38 6.729 5.144 -0.700 272 HD1 TYR 38 2HD TYR 38 7.622 2.849 -1.565 273 HD2 TYR 38 1HD TYR 38 9.682 5.302 1.236 274 HE1 TYR 38 2HE TYR 38 8.898 0.891 -0.797 275 HE2 TYR 38 1HE TYR 38 10.965 3.351 2.010 276 HH TYR 38 HH TYR 38 11.005 1.048 1.991 277 H LEU 39 H LEU 39 6.268 4.763 -3.302 278 HA LEU 39 HA LEU 39 4.719 7.219 -3.663 279 HB2 LEU 39 1HB LEU 39 6.175 6.685 -5.689 280 HB3 LEU 39 2HB LEU 39 5.124 5.292 -5.932 281 HG LEU 39 HG LEU 39 3.230 7.111 -5.896 282 HD11 LEU 39 1HD1 LEU 39 3.839 9.255 -6.627 283 HD12 LEU 39 2HD1 LEU 39 5.493 8.759 -6.982 284 HD13 LEU 39 3HD1 LEU 39 4.951 8.889 -5.309 285 HD21 LEU 39 1HD2 LEU 39 5.049 6.223 -8.070 286 HD22 LEU 39 2HD2 LEU 39 3.887 7.500 -8.432 287 HD23 LEU 39 3HD2 LEU 39 3.323 5.934 -7.846 288 H LEU 40 H LEU 40 2.923 6.736 -2.569 289 HA LEU 40 HA LEU 40 1.782 4.047 -2.791 290 HB2 LEU 40 1HB LEU 40 2.131 4.955 -0.544 291 HB3 LEU 40 2HB LEU 40 1.087 6.320 -0.935 292 HG LEU 40 HG LEU 40 -0.682 4.422 -1.374 293 HD11 LEU 40 1HD1 LEU 40 0.342 2.952 0.868 294 HD12 LEU 40 2HD1 LEU 40 1.492 2.910 -0.468 295 HD13 LEU 40 3HD1 LEU 40 -0.168 2.369 -0.717 296 HD21 LEU 40 1HD2 LEU 40 -1.584 4.863 0.731 297 HD22 LEU 40 2HD2 LEU 40 -0.585 6.278 0.398 298 HD23 LEU 40 3HD2 LEU 40 0.004 5.018 1.484 299 H SER 41 H SER 41 0.437 3.818 -4.454 300 HA SER 41 HA SER 41 -1.341 6.050 -5.160 301 HB2 SER 41 1HB SER 41 -0.073 5.372 -7.058 302 HB3 SER 41 2HB SER 41 -0.367 3.663 -6.734 303 HG SER 41 HG SER 41 -2.323 3.819 -7.580 304 H PHE 42 H PHE 42 -3.249 5.914 -4.182 305 HA PHE 42 HA PHE 42 -4.517 3.266 -3.946 306 HB2 PHE 42 1HB PHE 42 -5.622 3.990 -1.972 307 HB3 PHE 42 2HB PHE 42 -3.947 4.505 -1.802 308 HD1 PHE 42 2HD PHE 42 -3.431 6.937 -2.586 309 HD2 PHE 42 1HD PHE 42 -7.315 5.504 -1.597 310 HE1 PHE 42 2HE PHE 42 -4.181 9.248 -2.198 311 HE2 PHE 42 1HE PHE 42 -8.071 7.813 -1.208 312 HZ PHE 42 HZ PHE 42 -6.503 9.689 -1.507 313 H HIS 43 H HIS 43 -6.210 2.938 -5.214 314 HA HIS 43 HA HIS 43 -7.948 5.202 -5.896 315 HB2 HIS 43 1HB HIS 43 -7.874 4.836 -8.179 316 HB3 HIS 43 2HB HIS 43 -6.208 4.485 -7.727 317 HD1 HIS 43 1HD HIS 43 -5.864 1.754 -7.186 318 HD2 HIS 43 2HD HIS 43 -8.938 2.907 -9.733 319 HE1 HIS 43 1HE HIS 43 -6.450 -0.304 -8.507 320 HE2 HIS 43 2HE HIS 43 -8.253 0.440 -10.101 321 H THR 44 H THR 44 -10.087 4.552 -6.643 322 HA THR 44 HA THR 44 -10.978 2.154 -5.237 323 HB THR 44 HB THR 44 -13.088 3.082 -5.104 324 HG1 THR 44 1HG THR 44 -13.885 4.584 -6.616 325 HG21 THR 44 1HG2 THR 44 -12.803 5.159 -4.165 326 HG22 THR 44 2HG2 THR 44 -11.735 5.715 -5.453 327 HG23 THR 44 3HG2 THR 44 -11.128 4.613 -4.218 328 HA PRO 45 HA PRO 45 -11.676 -0.245 -8.851 329 HB2 PRO 45 1HB PRO 45 -13.817 -1.719 -8.069 330 HB3 PRO 45 2HB PRO 45 -12.187 -1.986 -7.441 331 HG2 PRO 45 1HG PRO 45 -14.470 -0.491 -6.210 332 HG3 PRO 45 2HG PRO 45 -13.333 -1.620 -5.451 333 HD2 PRO 45 1HD PRO 45 -13.082 1.067 -5.232 334 HD3 PRO 45 2HD PRO 45 -11.682 -0.024 -5.256 335 H GLY 46 H GLY 46 -13.756 2.179 -7.877 336 HA2 GLY 46 1HA GLY 46 -15.138 2.092 -10.451 337 HA3 GLY 46 2HA GLY 46 -16.140 2.088 -9.008 338 H GLY 47 H GLY 47 -13.105 3.836 -9.316 339 HA2 GLY 47 1HA GLY 47 -14.540 6.358 -9.690 340 HA3 GLY 47 2HA GLY 47 -13.625 6.165 -8.202 341 H GLN 48 H GLN 48 -11.924 7.482 -8.407 342 HA GLN 48 HA GLN 48 -10.346 7.307 -10.889 343 HB2 GLN 48 1HB GLN 48 -9.536 9.567 -10.396 344 HB3 GLN 48 2HB GLN 48 -11.289 9.533 -10.530 345 HG2 GLN 48 1HG GLN 48 -11.172 9.240 -7.930 346 HG3 GLN 48 2HG GLN 48 -9.577 9.963 -8.137 347 HE21 GLN 48 1HE2 GLN 48 -10.520 11.666 -6.804 348 HE22 GLN 48 2HE2 GLN 48 -11.433 12.916 -7.573 349 H THR 49 H THR 49 -7.982 8.243 -10.286 350 HA THR 49 HA THR 49 -7.047 6.650 -7.987 351 HB THR 49 HB THR 49 -5.660 7.054 -10.644 352 HG1 THR 49 1HG THR 49 -5.856 4.586 -10.376 353 HG21 THR 49 1HG2 THR 49 -3.739 6.257 -9.777 354 HG22 THR 49 2HG2 THR 49 -4.573 5.115 -8.723 355 HG23 THR 49 3HG2 THR 49 -4.408 6.803 -8.240 356 H GLN 50 H GLN 50 -5.633 7.584 -6.600 357 HA GLN 50 HA GLN 50 -4.718 10.309 -7.248 358 HB2 GLN 50 1HB GLN 50 -6.506 10.278 -5.534 359 HB3 GLN 50 2HB GLN 50 -5.497 9.248 -4.527 360 HG2 GLN 50 1HG GLN 50 -5.028 11.262 -3.597 361 HG3 GLN 50 2HG GLN 50 -3.775 11.216 -4.836 362 HE21 GLN 50 1HE2 GLN 50 -7.194 12.140 -4.566 363 HE22 GLN 50 2HE2 GLN 50 -7.037 13.626 -5.432 364 H GLU 51 H GLU 51 -2.658 10.914 -6.577 365 HA GLU 51 HA GLU 51 -0.928 8.676 -5.752 366 HB2 GLU 51 1HB GLU 51 -0.331 11.079 -7.480 367 HB3 GLU 51 2HB GLU 51 0.912 10.003 -6.857 368 HG2 GLU 51 1HG GLU 51 0.201 8.219 -8.168 369 HG3 GLU 51 2HG GLU 51 -1.381 8.941 -8.458 370 H ILE 52 H ILE 52 0.517 8.958 -4.102 371 HA ILE 52 HA ILE 52 0.631 11.588 -2.805 372 HB ILE 52 HB ILE 52 0.104 8.994 -1.351 373 HG12 ILE 52 1HG1 ILE 52 -1.607 11.437 -1.839 374 HG13 ILE 52 2HG1 ILE 52 -1.917 9.794 -2.389 375 HG21 ILE 52 1HG2 ILE 52 0.343 11.773 -0.213 376 HG22 ILE 52 2HG2 ILE 52 0.116 10.270 0.678 377 HG23 ILE 52 3HG2 ILE 52 1.630 10.569 -0.174 378 HD11 ILE 52 1HD1 ILE 52 -2.011 9.175 0.081 379 HD12 ILE 52 2HD1 ILE 52 -2.120 10.910 0.380 380 HD13 ILE 52 3HD1 ILE 52 -3.355 10.102 -0.585 381 H LEU 53 H LEU 53 2.598 12.138 -2.041 382 HA LEU 53 HA LEU 53 4.826 10.436 -2.685 383 HB2 LEU 53 1HB LEU 53 4.476 13.214 -1.673 384 HB3 LEU 53 2HB LEU 53 6.038 12.426 -1.456 385 HG LEU 53 HG LEU 53 6.136 13.776 -3.426 386 HD11 LEU 53 1HD1 LEU 53 7.270 12.243 -4.574 387 HD12 LEU 53 2HD1 LEU 53 5.822 11.287 -4.885 388 HD13 LEU 53 3HD1 LEU 53 6.707 11.078 -3.375 389 HD21 LEU 53 1HD2 LEU 53 4.057 12.280 -4.894 390 HD22 LEU 53 2HD2 LEU 53 4.519 13.979 -4.992 391 HD23 LEU 53 3HD2 LEU 53 3.487 13.419 -3.674 392 H LEU 54 H LEU 54 5.658 8.950 -1.389 393 HA LEU 54 HA LEU 54 5.195 9.184 1.508 394 HB2 LEU 54 1HB LEU 54 5.421 6.857 -0.343 395 HB3 LEU 54 2HB LEU 54 5.873 6.658 1.348 396 HG LEU 54 HG LEU 54 3.478 6.034 0.567 397 HD11 LEU 54 1HD1 LEU 54 4.465 7.304 3.021 398 HD12 LEU 54 2HD1 LEU 54 3.597 5.786 2.794 399 HD13 LEU 54 3HD1 LEU 54 2.712 7.311 2.830 400 HD21 LEU 54 1HD2 LEU 54 1.882 7.881 0.748 401 HD22 LEU 54 2HD2 LEU 54 2.999 8.118 -0.597 402 HD23 LEU 54 3HD2 LEU 54 3.220 9.020 0.903 403 HA PRO 55 HA PRO 55 9.551 9.884 1.917 404 HB2 PRO 55 1HB PRO 55 9.664 9.653 4.620 405 HB3 PRO 55 2HB PRO 55 9.016 11.081 3.804 406 HG2 PRO 55 1HG PRO 55 7.555 8.766 5.017 407 HG3 PRO 55 2HG PRO 55 7.186 10.498 5.116 408 HD2 PRO 55 1HD PRO 55 5.890 8.825 3.425 409 HD3 PRO 55 2HD PRO 55 6.190 10.532 3.037 410 H GLY 56 H GLY 56 11.383 8.806 3.264 411 HA2 GLY 56 1HA GLY 56 11.063 5.888 2.959 412 HA3 GLY 56 2HA GLY 56 12.580 6.754 2.765 413 H GLY 57 H GLY 57 10.777 4.863 4.827 414 HA2 GLY 57 1HA GLY 57 11.935 4.043 6.812 415 HA3 GLY 57 2HA GLY 57 12.454 5.695 7.111 416 H ILE 58 H ILE 58 9.271 4.300 6.339 417 HA ILE 58 HA ILE 58 8.294 5.304 8.925 418 HB ILE 58 HB ILE 58 6.205 6.033 7.873 419 HG12 ILE 58 1HG1 ILE 58 7.613 5.420 5.265 420 HG13 ILE 58 2HG1 ILE 58 6.256 4.518 5.931 421 HG21 ILE 58 1HG2 ILE 58 8.491 7.351 6.437 422 HG22 ILE 58 2HG2 ILE 58 6.999 8.081 7.027 423 HG23 ILE 58 3HG2 ILE 58 8.227 7.540 8.170 424 HD11 ILE 58 1HD1 ILE 58 5.757 6.202 4.102 425 HD12 ILE 58 2HD1 ILE 58 4.764 6.280 5.557 426 HD13 ILE 58 3HD1 ILE 58 6.066 7.444 5.315 427 H THR 59 H THR 59 7.948 3.047 6.262 428 HA THR 59 HA THR 59 6.715 1.124 6.024 429 HB THR 59 HB THR 59 7.097 -0.517 7.802 430 HG1 THR 59 1HG THR 59 6.876 1.276 9.482 431 HG21 THR 59 1HG2 THR 59 9.230 1.145 6.658 432 HG22 THR 59 2HG2 THR 59 9.033 -0.608 6.654 433 HG23 THR 59 3HG2 THR 59 9.715 0.201 8.065 434 H SER 60 H SER 60 5.248 3.480 7.137 435 HA SER 60 HA SER 60 2.780 2.206 7.629 436 HB2 SER 60 1HB SER 60 2.442 3.008 9.982 437 HB3 SER 60 2HB SER 60 3.638 1.721 9.832 438 HG SER 60 HG SER 60 5.035 3.857 9.573 439 H HIS 61 H HIS 61 1.181 3.569 7.102 440 HA HIS 61 HA HIS 61 1.515 6.439 7.461 441 HB2 HIS 61 1HB HIS 61 2.323 5.516 5.099 442 HB3 HIS 61 2HB HIS 61 0.597 5.584 4.756 443 HD1 HIS 61 1HD HIS 61 0.201 7.637 3.443 444 HD2 HIS 61 2HD HIS 61 2.893 8.283 6.542 445 HE1 HIS 61 1HE HIS 61 0.730 10.095 3.373 446 HE2 HIS 61 2HE HIS 61 2.425 10.446 5.203 447 H GLN 62 H GLN 62 -0.430 7.594 7.480 448 HA GLN 62 HA GLN 62 -2.819 5.900 7.727 449 HB2 GLN 62 1HB GLN 62 -2.271 7.085 9.765 450 HB3 GLN 62 2HB GLN 62 -2.194 8.614 8.898 451 HG2 GLN 62 1HG GLN 62 -4.256 8.699 9.933 452 HG3 GLN 62 2HG GLN 62 -4.651 8.157 8.302 453 HE21 GLN 62 1HE2 GLN 62 -5.245 5.998 7.970 454 HE22 GLN 62 2HE2 GLN 62 -5.795 5.000 9.268 455 H LEU 63 H LEU 63 -4.151 5.948 6.052 456 HA LEU 63 HA LEU 63 -4.098 8.171 4.187 457 HB2 LEU 63 1HB LEU 63 -5.505 5.514 4.196 458 HB3 LEU 63 2HB LEU 63 -5.785 6.735 2.957 459 HG LEU 63 HG LEU 63 -3.059 5.590 3.519 460 HD11 LEU 63 1HD1 LEU 63 -3.445 3.777 2.263 461 HD12 LEU 63 2HD1 LEU 63 -4.478 4.653 1.135 462 HD13 LEU 63 3HD1 LEU 63 -5.139 4.063 2.659 463 HD21 LEU 63 1HD2 LEU 63 -3.168 6.292 0.899 464 HD22 LEU 63 2HD2 LEU 63 -2.559 7.329 2.189 465 HD23 LEU 63 3HD2 LEU 63 -4.221 7.507 1.624 466 H LEU 64 H LEU 64 -5.459 9.827 4.251 467 HA LEU 64 HA LEU 64 -7.872 9.595 5.914 468 HB2 LEU 64 1HB LEU 64 -6.499 12.096 4.947 469 HB3 LEU 64 2HB LEU 64 -7.825 11.999 6.103 470 HG LEU 64 HG LEU 64 -5.064 10.884 6.588 471 HD11 LEU 64 1HD1 LEU 64 -5.017 13.327 6.352 472 HD12 LEU 64 2HD1 LEU 64 -4.690 12.813 8.007 473 HD13 LEU 64 3HD1 LEU 64 -6.274 13.461 7.581 474 HD21 LEU 64 1HD2 LEU 64 -6.020 11.134 9.003 475 HD22 LEU 64 2HD2 LEU 64 -6.443 9.728 8.025 476 HD23 LEU 64 3HD2 LEU 64 -7.581 11.067 8.184 477 H GLY 65 H GLY 65 -9.879 10.151 5.127 478 HA2 GLY 65 1HA GLY 65 -11.424 10.962 3.556 479 HA3 GLY 65 2HA GLY 65 -10.112 11.164 2.403 480 H LEU 66 H LEU 66 -11.771 8.542 4.161 481 HA LEU 66 HA LEU 66 -11.697 6.978 1.665 482 HB2 LEU 66 1HB LEU 66 -11.709 5.887 4.472 483 HB3 LEU 66 2HB LEU 66 -11.566 4.963 2.978 484 HG LEU 66 HG LEU 66 -9.514 6.878 4.089 485 HD11 LEU 66 1HD1 LEU 66 -9.975 4.480 5.090 486 HD12 LEU 66 2HD1 LEU 66 -8.335 5.087 4.864 487 HD13 LEU 66 3HD1 LEU 66 -9.033 3.973 3.688 488 HD21 LEU 66 1HD2 LEU 66 -9.644 6.788 1.596 489 HD22 LEU 66 2HD2 LEU 66 -9.300 5.061 1.694 490 HD23 LEU 66 3HD2 LEU 66 -8.111 6.232 2.266 491 H PHE 67 H PHE 67 -13.430 5.190 1.712 492 HA PHE 67 HA PHE 67 -15.953 6.415 2.604 493 HB2 PHE 67 1HB PHE 67 -15.383 4.553 0.292 494 HB3 PHE 67 2HB PHE 67 -17.003 5.022 0.797 495 HD1 PHE 67 2HD PHE 67 -16.627 7.873 1.400 496 HD2 PHE 67 1HD PHE 67 -15.114 5.508 -1.799 497 HE1 PHE 67 2HE PHE 67 -16.484 9.882 -0.013 498 HE2 PHE 67 1HE PHE 67 -14.968 7.514 -3.217 499 HZ PHE 67 HZ PHE 67 -15.654 9.704 -2.325 500 HA PRO 68 HA PRO 68 -16.675 3.028 5.314 501 HB2 PRO 68 1HB PRO 68 -19.388 3.080 5.397 502 HB3 PRO 68 2HB PRO 68 -18.379 4.288 6.201 503 HG2 PRO 68 1HG PRO 68 -19.801 4.455 3.572 504 HG3 PRO 68 2HG PRO 68 -19.674 5.673 4.854 505 HD2 PRO 68 1HD PRO 68 -18.146 5.745 2.620 506 HD3 PRO 68 2HD PRO 68 -17.567 6.332 4.192 507 H SER 69 H SER 69 -16.432 0.954 4.796 508 HA SER 69 HA SER 69 -16.755 -1.103 3.877 509 HB2 SER 69 1HB SER 69 -19.110 -0.746 4.589 510 HB3 SER 69 2HB SER 69 -19.449 -0.018 3.020 511 HG SER 69 HG SER 69 -19.267 -1.944 2.063 512 H THR 70 H THR 70 -15.426 0.915 2.380 513 HA THR 70 HA THR 70 -16.160 0.178 -0.378 514 HB THR 70 HB THR 70 -14.734 2.645 0.630 515 HG1 THR 70 1HG THR 70 -16.874 3.017 0.799 516 HG21 THR 70 1HG2 THR 70 -13.645 2.300 -1.378 517 HG22 THR 70 2HG2 THR 70 -15.034 3.253 -1.899 518 HG23 THR 70 3HG2 THR 70 -15.034 1.503 -2.115 519 H SER 71 H SER 71 -14.739 -0.941 -1.557 520 HA SER 71 HA SER 71 -12.296 -1.842 -0.343 521 HB2 SER 71 1HB SER 71 -13.701 -3.337 -1.731 522 HB3 SER 71 2HB SER 71 -13.348 -2.335 -3.139 523 HG SER 71 HG SER 71 -11.289 -3.023 -3.135 524 H TYR 72 H TYR 72 -10.220 -1.324 -0.864 525 HA TYR 72 HA TYR 72 -9.796 0.685 -2.967 526 HB2 TYR 72 1HB TYR 72 -8.941 0.816 -0.089 527 HB3 TYR 72 2HB TYR 72 -8.030 1.661 -1.335 528 HD1 TYR 72 1HD TYR 72 -11.209 1.513 0.490 529 HD2 TYR 72 2HD TYR 72 -8.951 3.601 -2.450 530 HE1 TYR 72 1HE TYR 72 -12.787 3.394 0.623 531 HE2 TYR 72 2HE TYR 72 -10.522 5.489 -2.324 532 HH TYR 72 HH TYR 72 -12.535 6.050 0.076 533 H ASN 73 H ASN 73 -7.680 0.727 -3.864 534 HA ASN 73 HA ASN 73 -6.103 -1.704 -3.325 535 HB2 ASN 73 1HB ASN 73 -7.409 -1.614 -5.535 536 HB3 ASN 73 2HB ASN 73 -6.258 -0.374 -6.025 537 HD21 ASN 73 1HD2 ASN 73 -5.282 -1.518 -7.623 538 HD22 ASN 73 2HD2 ASN 73 -4.328 -2.932 -7.345 539 H ALA 74 H ALA 74 -4.341 -1.056 -2.264 540 HA ALA 74 HA ALA 74 -3.081 1.491 -2.948 541 HB1 ALA 74 1HB ALA 74 -3.260 1.339 -0.647 542 HB2 ALA 74 2HB ALA 74 -2.868 -0.381 -0.626 543 HB3 ALA 74 3HB ALA 74 -1.602 0.808 -0.931 544 H ARG 75 H ARG 75 -0.862 1.659 -3.462 545 HA ARG 75 HA ARG 75 0.538 -0.808 -4.168 546 HB2 ARG 75 1HB ARG 75 -0.673 -0.069 -6.198 547 HB3 ARG 75 2HB ARG 75 0.154 1.480 -6.107 548 HG2 ARG 75 1HG ARG 75 2.303 0.345 -6.411 549 HG3 ARG 75 2HG ARG 75 1.459 -1.201 -6.526 550 HD2 ARG 75 1HD ARG 75 1.063 1.150 -8.375 551 HD3 ARG 75 2HD ARG 75 2.037 -0.276 -8.733 552 HE ARG 75 HE ARG 75 -0.581 -1.058 -8.040 553 HH11 ARG 75 2HH1 ARG 75 1.204 0.472 -10.607 554 HH12 ARG 75 1HH1 ARG 75 0.111 -0.041 -11.849 555 HH21 ARG 75 2HH2 ARG 75 -2.028 -1.740 -9.666 556 HH22 ARG 75 1HH2 ARG 75 -1.728 -1.298 -11.313 557 H LEU 76 H LEU 76 2.307 -0.633 -2.947 558 HA LEU 76 HA LEU 76 3.558 1.961 -2.525 559 HB2 LEU 76 1HB LEU 76 3.262 0.493 -0.612 560 HB3 LEU 76 2HB LEU 76 4.197 -0.768 -1.414 561 HG LEU 76 HG LEU 76 6.087 1.054 -1.393 562 HD11 LEU 76 1HD1 LEU 76 4.016 2.324 0.101 563 HD12 LEU 76 2HD1 LEU 76 5.623 2.926 -0.305 564 HD13 LEU 76 3HD1 LEU 76 5.379 1.991 1.170 565 HD21 LEU 76 1HD2 LEU 76 5.229 -0.508 1.041 566 HD22 LEU 76 2HD2 LEU 76 6.832 0.183 0.788 567 HD23 LEU 76 3HD2 LEU 76 6.241 -1.091 -0.281 568 H GLN 77 H GLN 77 4.989 2.668 -3.955 569 HA GLN 77 HA GLN 77 6.806 0.714 -5.204 570 HB2 GLN 77 1HB GLN 77 5.022 1.886 -6.678 571 HB3 GLN 77 2HB GLN 77 6.048 3.305 -6.520 572 HG2 GLN 77 1HG GLN 77 7.912 1.591 -7.279 573 HG3 GLN 77 2HG GLN 77 6.519 0.772 -7.984 574 HE21 GLN 77 1HE2 GLN 77 8.010 1.381 -9.879 575 HE22 GLN 77 2HE2 GLN 77 7.630 2.866 -10.675 576 H ALA 78 H ALA 78 8.960 1.295 -5.449 577 HA ALA 78 HA ALA 78 9.779 3.715 -3.976 578 HB1 ALA 78 1HB ALA 78 11.962 2.011 -3.957 579 HB2 ALA 78 2HB ALA 78 10.858 2.321 -2.616 580 HB3 ALA 78 3HB ALA 78 10.582 0.947 -3.686 581 H MET 79 H MET 79 11.161 5.099 -4.942 582 HA MET 79 HA MET 79 11.759 4.663 -7.741 583 HB2 MET 79 1HB MET 79 12.547 7.047 -6.072 584 HB3 MET 79 2HB MET 79 12.365 6.965 -7.819 585 HG2 MET 79 1HG MET 79 9.956 6.635 -7.547 586 HG3 MET 79 2HG MET 79 10.147 6.743 -5.798 587 HE1 MET 79 1HE MET 79 11.375 9.521 -4.785 588 HE2 MET 79 2HE MET 79 9.744 10.169 -4.954 589 HE3 MET 79 3HE MET 79 9.979 8.472 -4.531 590 H TRP 80 H TRP 80 13.540 3.645 -8.357 591 HA TRP 80 HA TRP 80 15.940 3.853 -6.662 592 HB2 TRP 80 1HB TRP 80 14.791 1.623 -8.274 593 HB3 TRP 80 2HB TRP 80 16.544 1.727 -8.142 594 HD1 TRP 80 HD TRP 80 17.595 1.462 -5.648 595 HE1 TRP 80 1HE TRP 80 16.691 0.239 -3.572 596 HE3 TRP 80 3HE TRP 80 12.695 1.015 -7.039 597 HZ2 TRP 80 2HZ TRP 80 14.227 -0.782 -2.647 598 HZ3 TRP 80 3HZ TRP 80 11.130 -0.098 -5.501 599 HH2 TRP 80 HH TRP 80 11.882 -0.978 -3.351 600 H GLY 81 H GLY 81 18.018 3.882 -7.768 601 HA2 GLY 81 1HA GLY 81 18.246 5.868 -9.679 602 HA3 GLY 81 2HA GLY 81 19.484 4.664 -9.354 603 H GLN 82 H GLN 82 17.742 5.974 -11.755 604 HA GLN 82 HA GLN 82 16.923 5.260 -13.788 605 HB2 GLN 82 1HB GLN 82 19.659 4.099 -13.441 606 HB3 GLN 82 2HB GLN 82 18.745 3.727 -14.897 607 HG2 GLN 82 1HG GLN 82 18.566 6.086 -15.419 608 HG3 GLN 82 2HG GLN 82 19.411 6.497 -13.928 609 HE21 GLN 82 1HE2 GLN 82 20.178 7.214 -16.579 610 HE22 GLN 82 2HE2 GLN 82 21.721 6.499 -16.880 611 H SER 83 H SER 83 15.863 3.708 -11.635 612 HA SER 83 HA SER 83 14.828 1.508 -13.101 613 HB2 SER 83 1HB SER 83 16.971 0.980 -11.067 614 HB3 SER 83 2HB SER 83 15.677 -0.195 -11.306 615 HG SER 83 HG SER 83 16.268 -0.275 -13.514 616 H LEU 84 H LEU 84 13.134 0.406 -11.979 617 HA LEU 84 HA LEU 84 12.385 1.460 -9.361 618 HB2 LEU 84 1HB LEU 84 10.442 1.450 -11.658 619 HB3 LEU 84 2HB LEU 84 10.184 2.086 -10.035 620 HG LEU 84 HG LEU 84 12.212 3.656 -10.760 621 HD11 LEU 84 1HD1 LEU 84 12.349 4.136 -13.014 622 HD12 LEU 84 2HD1 LEU 84 10.783 3.410 -13.372 623 HD13 LEU 84 3HD1 LEU 84 12.171 2.382 -13.021 624 HD21 LEU 84 1HD2 LEU 84 10.178 5.060 -11.862 625 HD22 LEU 84 2HD2 LEU 84 10.448 4.898 -10.126 626 HD23 LEU 84 3HD2 LEU 84 9.285 3.850 -10.941 627 H LEU 85 H LEU 85 12.355 -0.402 -8.256 628 HA LEU 85 HA LEU 85 11.770 -2.936 -9.264 629 HB2 LEU 85 1HB LEU 85 11.367 -1.994 -6.431 630 HB3 LEU 85 2HB LEU 85 11.594 -3.657 -6.967 631 HG LEU 85 HG LEU 85 13.652 -1.452 -7.012 632 HD11 LEU 85 1HD1 LEU 85 12.919 -2.786 -4.854 633 HD12 LEU 85 2HD1 LEU 85 14.610 -2.411 -5.181 634 HD13 LEU 85 3HD1 LEU 85 13.977 -4.015 -5.548 635 HD21 LEU 85 1HD2 LEU 85 14.721 -2.599 -8.580 636 HD22 LEU 85 2HD2 LEU 85 13.445 -3.817 -8.602 637 HD23 LEU 85 3HD2 LEU 85 14.802 -3.980 -7.487 638 HA PRO 86 HA PRO 86 7.396 -3.126 -9.610 639 HB2 PRO 86 1HB PRO 86 6.954 -5.740 -9.023 640 HB3 PRO 86 2HB PRO 86 7.687 -5.206 -10.541 641 HG2 PRO 86 1HG PRO 86 9.005 -6.271 -8.073 642 HG3 PRO 86 2HG PRO 86 9.346 -6.643 -9.773 643 HD2 PRO 86 1HD PRO 86 10.852 -4.917 -8.328 644 HD3 PRO 86 2HD PRO 86 10.590 -4.725 -10.073 645 HA PRO 87 HA PRO 87 6.181 -2.418 -5.347 646 HB2 PRO 87 1HB PRO 87 3.762 -1.347 -5.956 647 HB3 PRO 87 2HB PRO 87 5.273 -0.438 -6.079 648 HG2 PRO 87 1HG PRO 87 3.703 -1.803 -8.231 649 HG3 PRO 87 2HG PRO 87 4.485 -0.212 -8.255 650 HD2 PRO 87 1HD PRO 87 5.595 -2.399 -9.403 651 HD3 PRO 87 2HD PRO 87 6.568 -1.104 -8.678 652 H VAL 88 H VAL 88 4.085 -2.895 -4.115 653 HA VAL 88 HA VAL 88 3.007 -5.481 -5.034 654 HB VAL 88 HB VAL 88 2.547 -5.812 -2.513 655 HG11 VAL 88 1HG1 VAL 88 4.358 -6.852 -4.081 656 HG12 VAL 88 2HG1 VAL 88 5.467 -5.860 -3.131 657 HG13 VAL 88 3HG1 VAL 88 4.465 -7.074 -2.335 658 HG21 VAL 88 1HG2 VAL 88 3.204 -3.373 -2.067 659 HG22 VAL 88 2HG2 VAL 88 3.811 -4.605 -0.960 660 HG23 VAL 88 3HG2 VAL 88 4.870 -3.938 -2.203 661 H SER 89 H SER 89 0.896 -5.563 -5.412 662 HA SER 89 HA SER 89 -0.784 -3.350 -4.470 663 HB2 SER 89 1HB SER 89 -2.313 -3.922 -6.249 664 HB3 SER 89 2HB SER 89 -0.686 -3.846 -6.926 665 HG SER 89 HG SER 89 -0.621 -6.039 -7.030 666 H THR 90 H THR 90 -2.257 -3.652 -2.937 667 HA THR 90 HA THR 90 -3.174 -6.393 -2.373 668 HB THR 90 HB THR 90 -1.473 -5.613 -0.694 669 HG1 THR 90 1HG THR 90 -3.032 -7.175 -0.116 670 HG21 THR 90 1HG2 THR 90 -3.614 -3.804 0.376 671 HG22 THR 90 2HG2 THR 90 -2.420 -3.210 -0.777 672 HG23 THR 90 3HG2 THR 90 -1.899 -3.854 0.779 673 H SER 91 H SER 91 -5.233 -6.503 -1.229 674 HA SER 91 HA SER 91 -6.935 -4.166 -1.804 675 HB2 SER 91 1HB SER 91 -8.795 -5.779 -2.136 676 HB3 SER 91 2HB SER 91 -7.481 -6.019 -3.288 677 HG SER 91 HG SER 91 -8.425 -7.928 -2.104 678 H PHE 92 H PHE 92 -8.111 -3.341 -0.184 679 HA PHE 92 HA PHE 92 -8.602 -4.941 2.211 680 HB2 PHE 92 1HB PHE 92 -7.757 -3.249 3.710 681 HB3 PHE 92 2HB PHE 92 -6.481 -3.675 2.575 682 HD1 PHE 92 2HD PHE 92 -8.884 -1.092 3.568 683 HD2 PHE 92 1HD PHE 92 -5.667 -2.095 0.968 684 HE1 PHE 92 2HE PHE 92 -8.636 1.280 2.966 685 HE2 PHE 92 1HE PHE 92 -5.413 0.276 0.363 686 HZ PHE 92 HZ PHE 92 -6.899 1.967 1.361 687 H THR 93 H THR 93 -10.512 -4.507 3.192 688 HA THR 93 HA THR 93 -12.155 -2.385 1.982 689 HB THR 93 HB THR 93 -13.117 -4.840 3.462 690 HG1 THR 93 1HG THR 93 -13.203 -5.828 1.562 691 HG21 THR 93 1HG2 THR 93 -14.597 -2.837 1.752 692 HG22 THR 93 2HG2 THR 93 -14.674 -2.942 3.511 693 HG23 THR 93 3HG2 THR 93 -15.296 -4.262 2.520 694 H THR 94 H THR 94 -13.253 -0.936 3.250 695 HA THR 94 HA THR 94 -12.257 -0.609 5.951 696 HB THR 94 HB THR 94 -13.276 1.553 5.936 697 HG1 THR 94 1HG THR 94 -14.898 2.092 4.610 698 HG21 THR 94 1HG2 THR 94 -12.242 1.026 3.148 699 HG22 THR 94 2HG2 THR 94 -11.226 1.281 4.568 700 HG23 THR 94 3HG2 THR 94 -12.272 2.576 3.987 701 H GLY 95 H GLY 95 -13.721 -0.134 7.755 702 HA2 GLY 95 1HA GLY 95 -15.714 -2.156 8.012 703 HA3 GLY 95 2HA GLY 95 -15.341 -0.910 9.194 704 H GLY 96 H GLY 96 -17.365 -0.241 9.719 705 HA2 GLY 96 1HA GLY 96 -18.812 1.204 7.621 706 HA3 GLY 96 2HA GLY 96 -19.680 -0.043 8.504 707 H LEU 97 H LEU 97 -20.188 2.838 8.358 708 HA LEU 97 HA LEU 97 -19.390 4.090 10.769 709 HB2 LEU 97 1HB LEU 97 -21.626 4.612 8.830 710 HB3 LEU 97 2HB LEU 97 -21.372 5.604 10.264 711 HG LEU 97 HG LEU 97 -19.248 5.219 8.167 712 HD11 LEU 97 1HD1 LEU 97 -20.311 6.569 6.771 713 HD12 LEU 97 2HD1 LEU 97 -20.457 7.793 8.031 714 HD13 LEU 97 3HD1 LEU 97 -21.710 6.566 7.845 715 HD21 LEU 97 1HD2 LEU 97 -18.106 6.175 9.857 716 HD22 LEU 97 2HD2 LEU 97 -19.563 6.783 10.642 717 HD23 LEU 97 3HD2 LEU 97 -18.871 7.652 9.271 718 H ARG 98 H ARG 98 -19.788 2.771 12.523 719 HA ARG 98 HA ARG 98 -22.514 2.792 13.490 720 HB2 ARG 98 1HB ARG 98 -22.534 0.361 13.983 721 HB3 ARG 98 2HB ARG 98 -22.539 0.712 12.260 722 HG2 ARG 98 1HG ARG 98 -19.922 0.455 12.580 723 HG3 ARG 98 2HG ARG 98 -20.446 -0.543 13.938 724 HD2 ARG 98 1HD ARG 98 -21.747 -0.954 11.295 725 HD3 ARG 98 2HD ARG 98 -20.104 -1.553 11.519 726 HE ARG 98 HE ARG 98 -21.497 -2.464 13.695 727 HH11 ARG 98 2HH1 ARG 98 -21.808 -2.747 10.239 728 HH12 ARG 98 1HH1 ARG 98 -22.550 -4.312 10.303 729 HH21 ARG 98 2HH2 ARG 98 -22.472 -4.524 13.792 730 HH22 ARG 98 1HH2 ARG 98 -22.928 -5.321 12.324 731 H ILE 99 H ILE 99 -22.432 1.376 15.701 732 HA ILE 99 HA ILE 99 -20.319 2.663 17.253 733 HB ILE 99 HB ILE 99 -22.725 1.151 18.271 734 HG12 ILE 99 1HG1 ILE 99 -23.530 3.549 18.762 735 HG13 ILE 99 2HG1 ILE 99 -22.327 4.056 17.582 736 HG21 ILE 99 1HG2 ILE 99 -21.925 3.069 20.116 737 HG22 ILE 99 2HG2 ILE 99 -21.681 1.327 20.226 738 HG23 ILE 99 3HG2 ILE 99 -20.423 2.351 19.536 739 HD11 ILE 99 1HD1 ILE 99 -23.538 3.315 15.840 740 HD12 ILE 99 2HD1 ILE 99 -24.151 1.914 16.719 741 HD13 ILE 99 3HD1 ILE 99 -24.875 3.502 16.974 742 H SER 100 H SER 100 -21.771 -0.557 16.833 743 HA SER 100 HA SER 100 -19.443 -1.740 18.170 744 HB2 SER 100 1HB SER 100 -21.961 -2.285 18.718 745 HB3 SER 100 2HB SER 100 -21.822 -3.348 17.318 746 HG SER 100 HG SER 100 -19.978 -4.288 18.381 747 H GLY 101 H GLY 101 -17.883 -1.763 16.596 748 HA2 GLY 101 1HA GLY 101 -18.369 -3.633 14.386 749 HA3 GLY 101 2HA GLY 101 -17.759 -2.030 14.004 750 HA PRO 102 HA PRO 102 -14.056 -4.696 14.464 751 HB2 PRO 102 1HB PRO 102 -12.646 -3.432 12.519 752 HB3 PRO 102 2HB PRO 102 -13.800 -4.727 12.181 753 HG2 PRO 102 1HG PRO 102 -14.164 -1.764 11.968 754 HG3 PRO 102 2HG PRO 102 -14.686 -3.038 10.851 755 HD2 PRO 102 1HD PRO 102 -16.373 -1.866 12.615 756 HD3 PRO 102 2HD PRO 102 -16.540 -3.561 12.116 757 H SER 103 H SER 103 -14.871 -1.578 15.204 758 HA SER 103 HA SER 103 -12.459 -0.225 15.518 759 HB2 SER 103 1HB SER 103 -14.774 0.735 15.807 760 HB3 SER 103 2HB SER 103 -14.819 -0.022 17.399 761 HG SER 103 HG SER 103 -12.693 1.675 16.659 762 H SER 104 H SER 104 -10.746 -1.246 16.394 763 HA SER 104 HA SER 104 -11.086 -2.655 18.943 764 HB2 SER 104 1HB SER 104 -9.026 -3.756 18.495 765 HB3 SER 104 2HB SER 104 -9.899 -3.736 16.963 766 HG SER 104 HG SER 104 -8.489 -2.350 16.156 767 H GLY 105 H GLY 105 -9.245 -2.401 20.526 768 HA2 GLY 105 1HA GLY 105 -9.091 0.258 21.395 769 HA3 GLY 105 2HA GLY 105 -8.087 -1.059 21.983 Start of MODEL 17 1 H1 GLY 1 H GLY 1 9.499 -14.763 -18.380 2 HA2 GLY 1 1HA GLY 1 10.399 -15.606 -15.897 3 HA3 GLY 1 2HA GLY 1 11.424 -14.898 -17.136 4 H SER 2 H SER 2 12.683 -13.941 -15.461 5 HA SER 2 HA SER 2 11.365 -11.739 -14.027 6 HB2 SER 2 1HB SER 2 12.489 -13.180 -12.493 7 HB3 SER 2 2HB SER 2 13.935 -13.237 -13.500 8 HG SER 2 HG SER 2 14.058 -11.800 -11.651 9 H SER 3 H SER 3 12.251 -9.657 -14.045 10 HA SER 3 HA SER 3 13.731 -9.038 -16.477 11 HB2 SER 3 1HB SER 3 11.741 -7.715 -16.051 12 HB3 SER 3 2HB SER 3 12.347 -7.254 -14.460 13 HG SER 3 HG SER 3 13.325 -6.496 -17.003 14 H GLY 4 H GLY 4 15.797 -9.806 -15.852 15 HA2 GLY 4 1HA GLY 4 17.860 -9.717 -14.821 16 HA3 GLY 4 2HA GLY 4 17.633 -7.984 -15.003 17 H SER 5 H SER 5 17.563 -10.675 -12.823 18 HA SER 5 HA SER 5 16.593 -9.104 -10.593 19 HB2 SER 5 1HB SER 5 17.001 -11.187 -9.285 20 HB3 SER 5 2HB SER 5 15.962 -11.445 -10.686 21 HG SER 5 HG SER 5 17.520 -12.554 -11.665 22 H SER 6 H SER 6 17.786 -8.469 -8.804 23 HA SER 6 HA SER 6 20.645 -8.945 -8.728 24 HB2 SER 6 1HB SER 6 19.494 -6.176 -9.128 25 HB3 SER 6 2HB SER 6 21.149 -6.486 -8.605 26 HG SER 6 HG SER 6 21.155 -6.244 -10.821 27 H GLY 7 H GLY 7 21.614 -7.680 -6.793 28 HA2 GLY 7 1HA GLY 7 20.671 -8.571 -4.434 29 HA3 GLY 7 2HA GLY 7 21.529 -7.044 -4.566 30 H LEU 8 H LEU 8 19.696 -5.489 -5.909 31 HA LEU 8 HA LEU 8 18.162 -4.361 -3.993 32 HB2 LEU 8 1HB LEU 8 17.800 -4.575 -6.947 33 HB3 LEU 8 2HB LEU 8 16.547 -3.802 -5.979 34 HG LEU 8 HG LEU 8 19.430 -2.930 -6.174 35 HD11 LEU 8 1HD1 LEU 8 16.936 -2.142 -7.565 36 HD12 LEU 8 2HD1 LEU 8 18.604 -2.150 -8.138 37 HD13 LEU 8 3HD1 LEU 8 18.041 -0.854 -7.084 38 HD21 LEU 8 1HD2 LEU 8 18.996 -2.057 -4.152 39 HD22 LEU 8 2HD2 LEU 8 17.252 -2.258 -4.326 40 HD23 LEU 8 3HD2 LEU 8 18.058 -0.870 -5.059 41 H GLU 9 H GLU 9 16.021 -4.486 -3.271 42 HA GLU 9 HA GLU 9 14.426 -6.787 -4.091 43 HB2 GLU 9 1HB GLU 9 15.477 -6.331 -1.308 44 HB3 GLU 9 2HB GLU 9 14.016 -7.264 -1.598 45 HG2 GLU 9 1HG GLU 9 15.149 -8.985 -2.617 46 HG3 GLU 9 2HG GLU 9 16.512 -7.962 -3.067 47 H ALA 10 H ALA 10 12.209 -6.622 -3.557 48 HA ALA 10 HA ALA 10 11.342 -3.861 -3.140 49 HB1 ALA 10 1HB ALA 10 9.850 -4.339 -4.708 50 HB2 ALA 10 2HB ALA 10 10.442 -5.999 -4.776 51 HB3 ALA 10 3HB ALA 10 9.141 -5.572 -3.665 52 HA PRO 11 HA PRO 11 9.614 -4.429 0.852 53 HB2 PRO 11 1HB PRO 11 7.180 -3.241 0.671 54 HB3 PRO 11 2HB PRO 11 8.694 -2.331 0.679 55 HG2 PRO 11 1HG PRO 11 6.978 -3.132 -1.639 56 HG3 PRO 11 2HG PRO 11 7.782 -1.583 -1.325 57 HD2 PRO 11 1HD PRO 11 8.787 -3.426 -3.035 58 HD3 PRO 11 2HD PRO 11 9.822 -2.346 -2.078 59 H ARG 12 H ARG 12 8.263 -5.719 2.100 60 HA ARG 12 HA ARG 12 6.255 -7.332 0.696 61 HB2 ARG 12 1HB ARG 12 7.077 -9.384 1.565 62 HB3 ARG 12 2HB ARG 12 8.460 -8.556 0.862 63 HG2 ARG 12 1HG ARG 12 9.033 -7.753 3.164 64 HG3 ARG 12 2HG ARG 12 7.767 -8.820 3.775 65 HD2 ARG 12 1HD ARG 12 9.919 -9.916 3.930 66 HD3 ARG 12 2HD ARG 12 8.912 -10.735 2.737 67 HE ARG 12 HE ARG 12 10.384 -8.930 1.299 68 HH11 ARG 12 2HH1 ARG 12 11.101 -11.559 3.466 69 HH12 ARG 12 1HH1 ARG 12 12.604 -11.953 2.699 70 HH21 ARG 12 2HH2 ARG 12 12.361 -9.439 0.281 71 HH22 ARG 12 1HH2 ARG 12 13.320 -10.746 0.888 72 H ASP 13 H ASP 13 5.079 -8.762 2.429 73 HA ASP 13 HA ASP 13 3.659 -8.822 4.205 74 HB2 ASP 13 1HB ASP 13 6.009 -7.352 5.348 75 HB3 ASP 13 2HB ASP 13 4.537 -7.520 6.301 76 H LEU 14 H LEU 14 2.931 -7.075 2.265 77 HA LEU 14 HA LEU 14 2.247 -4.539 3.528 78 HB2 LEU 14 1HB LEU 14 3.039 -4.429 1.262 79 HB3 LEU 14 2HB LEU 14 1.826 -5.596 0.738 80 HG LEU 14 HG LEU 14 0.099 -3.843 1.443 81 HD11 LEU 14 1HD1 LEU 14 1.972 -2.523 2.650 82 HD12 LEU 14 2HD1 LEU 14 0.731 -1.642 1.760 83 HD13 LEU 14 3HD1 LEU 14 2.324 -1.886 1.043 84 HD21 LEU 14 1HD2 LEU 14 1.202 -2.475 -0.748 85 HD22 LEU 14 2HD2 LEU 14 -0.041 -3.726 -0.768 86 HD23 LEU 14 3HD2 LEU 14 1.658 -4.167 -0.939 87 H GLU 15 H GLU 15 0.651 -4.900 4.996 88 HA GLU 15 HA GLU 15 -1.881 -5.958 3.929 89 HB2 GLU 15 1HB GLU 15 -0.813 -7.601 5.444 90 HB3 GLU 15 2HB GLU 15 -0.816 -6.396 6.724 91 HG2 GLU 15 1HG GLU 15 -2.666 -7.708 7.195 92 HG3 GLU 15 2HG GLU 15 -3.349 -6.305 6.375 93 H ALA 16 H ALA 16 -3.789 -5.036 4.771 94 HA ALA 16 HA ALA 16 -3.525 -2.267 5.473 95 HB1 ALA 16 1HB ALA 16 -5.774 -4.092 4.808 96 HB2 ALA 16 2HB ALA 16 -6.137 -2.600 5.678 97 HB3 ALA 16 3HB ALA 16 -5.335 -2.533 4.109 98 H LYS 17 H LYS 17 -3.752 -1.314 7.414 99 HA LYS 17 HA LYS 17 -4.567 -2.998 9.690 100 HB2 LYS 17 1HB LYS 17 -2.367 -0.922 9.660 101 HB3 LYS 17 2HB LYS 17 -2.911 -1.809 11.078 102 HG2 LYS 17 1HG LYS 17 -2.017 -3.372 8.719 103 HG3 LYS 17 2HG LYS 17 -0.793 -2.551 9.691 104 HD2 LYS 17 1HD LYS 17 -1.192 -3.851 11.537 105 HD3 LYS 17 2HD LYS 17 -2.873 -4.154 11.094 106 HE2 LYS 17 1HE LYS 17 -2.303 -5.825 9.582 107 HE3 LYS 17 2HE LYS 17 -0.640 -5.259 9.434 108 HZ1 LYS 17 1HZ LYS 17 -1.813 -7.051 11.374 109 HZ2 LYS 17 2HZ LYS 17 -0.776 -5.891 12.036 110 HZ3 LYS 17 3HZ LYS 17 -0.214 -6.938 10.832 111 H GLU 18 H GLU 18 -5.332 -1.748 11.577 112 HA GLU 18 HA GLU 18 -7.104 -0.438 12.282 113 HB2 GLU 18 1HB GLU 18 -5.126 1.652 11.353 114 HB3 GLU 18 2HB GLU 18 -6.405 1.896 12.534 115 HG2 GLU 18 1HG GLU 18 -4.147 -0.060 12.879 116 HG3 GLU 18 2HG GLU 18 -4.137 1.588 13.505 117 H VAL 19 H VAL 19 -8.010 -1.320 9.988 118 HA VAL 19 HA VAL 19 -8.534 0.744 8.063 119 HB VAL 19 HB VAL 19 -9.729 -2.010 8.390 120 HG11 VAL 19 1HG1 VAL 19 -10.203 -1.382 5.818 121 HG12 VAL 19 2HG1 VAL 19 -11.374 -1.129 7.114 122 HG13 VAL 19 3HG1 VAL 19 -10.371 0.210 6.556 123 HG21 VAL 19 1HG2 VAL 19 -8.346 -2.345 6.246 124 HG22 VAL 19 2HG2 VAL 19 -7.491 -0.884 6.741 125 HG23 VAL 19 3HG2 VAL 19 -7.494 -2.302 7.790 126 H THR 20 H THR 20 -10.172 2.145 8.008 127 HA THR 20 HA THR 20 -12.610 1.609 9.521 128 HB THR 20 HB THR 20 -12.435 4.147 10.239 129 HG1 THR 20 1HG THR 20 -10.172 3.993 9.145 130 HG21 THR 20 1HG2 THR 20 -11.508 1.648 11.511 131 HG22 THR 20 2HG2 THR 20 -12.701 2.826 12.060 132 HG23 THR 20 3HG2 THR 20 -10.981 3.146 12.279 133 HA PRO 21 HA PRO 21 -14.641 3.544 6.145 134 HB2 PRO 21 1HB PRO 21 -16.743 4.751 7.367 135 HB3 PRO 21 2HB PRO 21 -16.628 2.999 7.162 136 HG2 PRO 21 1HG PRO 21 -16.006 4.670 9.567 137 HG3 PRO 21 2HG PRO 21 -16.867 3.122 9.472 138 HD2 PRO 21 1HD PRO 21 -14.270 3.302 10.220 139 HD3 PRO 21 2HD PRO 21 -14.916 1.902 9.339 140 H ARG 22 H ARG 22 -12.989 5.311 8.412 141 HA ARG 22 HA ARG 22 -13.517 7.834 6.983 142 HB2 ARG 22 1HB ARG 22 -13.146 7.280 9.896 143 HB3 ARG 22 2HB ARG 22 -12.583 8.815 9.248 144 HG2 ARG 22 1HG ARG 22 -15.365 7.887 8.686 145 HG3 ARG 22 2HG ARG 22 -14.969 8.631 10.236 146 HD2 ARG 22 1HD ARG 22 -13.856 10.456 8.710 147 HD3 ARG 22 2HD ARG 22 -14.965 9.814 7.499 148 HE ARG 22 HE ARG 22 -16.376 10.336 9.876 149 HH11 ARG 22 2HH1 ARG 22 -14.793 11.998 7.258 150 HH12 ARG 22 1HH1 ARG 22 -15.800 13.403 7.368 151 HH21 ARG 22 2HH2 ARG 22 -17.708 12.181 10.032 152 HH22 ARG 22 1HH2 ARG 22 -17.457 13.507 8.947 153 H THR 23 H THR 23 -11.205 5.544 8.101 154 HA THR 23 HA THR 23 -9.112 6.884 6.614 155 HB THR 23 HB THR 23 -7.487 6.684 8.536 156 HG1 THR 23 1HG THR 23 -9.840 6.638 10.136 157 HG21 THR 23 1HG2 THR 23 -8.937 8.781 7.753 158 HG22 THR 23 2HG2 THR 23 -7.830 8.862 9.124 159 HG23 THR 23 3HG2 THR 23 -9.556 8.630 9.397 160 H ALA 24 H ALA 24 -6.973 5.506 6.966 161 HA ALA 24 HA ALA 24 -7.282 2.743 7.548 162 HB1 ALA 24 1HB ALA 24 -8.525 3.086 5.319 163 HB2 ALA 24 2HB ALA 24 -6.914 3.246 4.618 164 HB3 ALA 24 3HB ALA 24 -7.373 1.756 5.444 165 H LEU 25 H LEU 25 -5.342 2.136 8.225 166 HA LEU 25 HA LEU 25 -2.981 3.557 7.223 167 HB2 LEU 25 1HB LEU 25 -3.217 3.637 9.602 168 HB3 LEU 25 2HB LEU 25 -3.444 1.891 9.688 169 HG LEU 25 HG LEU 25 -1.009 1.873 8.663 170 HD11 LEU 25 1HD1 LEU 25 0.314 3.696 9.060 171 HD12 LEU 25 2HD1 LEU 25 -0.719 4.305 10.352 172 HD13 LEU 25 3HD1 LEU 25 -1.209 4.494 8.669 173 HD21 LEU 25 1HD2 LEU 25 -0.152 1.939 11.055 174 HD22 LEU 25 2HD2 LEU 25 -1.438 0.785 10.702 175 HD23 LEU 25 3HD2 LEU 25 -1.813 2.299 11.527 176 H LEU 26 H LEU 26 -1.117 2.434 6.560 177 HA LEU 26 HA LEU 26 -1.545 -0.405 5.901 178 HB2 LEU 26 1HB LEU 26 -0.538 1.843 4.213 179 HB3 LEU 26 2HB LEU 26 0.039 0.205 3.915 180 HG LEU 26 HG LEU 26 -2.899 0.767 3.993 181 HD11 LEU 26 1HD1 LEU 26 -1.845 2.424 2.470 182 HD12 LEU 26 2HD1 LEU 26 -2.918 1.287 1.655 183 HD13 LEU 26 3HD1 LEU 26 -1.170 1.082 1.546 184 HD21 LEU 26 1HD2 LEU 26 -2.623 -1.060 2.130 185 HD22 LEU 26 2HD2 LEU 26 -2.584 -1.499 3.838 186 HD23 LEU 26 3HD2 LEU 26 -1.077 -1.339 2.933 187 H THR 27 H THR 27 0.040 -1.771 6.460 188 HA THR 27 HA THR 27 2.584 -0.608 7.393 189 HB THR 27 HB THR 27 2.753 -2.527 8.959 190 HG1 THR 27 1HG THR 27 1.212 -4.021 9.042 191 HG21 THR 27 1HG2 THR 27 1.947 -0.480 9.879 192 HG22 THR 27 2HG2 THR 27 0.914 -1.765 10.505 193 HG23 THR 27 3HG2 THR 27 0.342 -0.733 9.196 194 H TRP 28 H TRP 28 4.379 -1.302 6.426 195 HA TRP 28 HA TRP 28 4.383 -3.918 5.107 196 HB2 TRP 28 1HB TRP 28 5.203 -3.088 3.050 197 HB3 TRP 28 2HB TRP 28 3.855 -2.034 3.468 198 HD1 TRP 28 HD TRP 28 7.722 -2.041 3.545 199 HE1 TRP 28 1HE TRP 28 8.527 0.398 3.364 200 HE3 TRP 28 3HE TRP 28 3.192 0.324 3.710 201 HZ2 TRP 28 2HZ TRP 28 7.392 2.981 3.301 202 HZ3 TRP 28 3HZ TRP 28 3.139 2.781 3.584 203 HH2 TRP 28 HH TRP 28 5.197 4.080 3.385 204 H THR 29 H THR 29 6.615 -4.590 4.473 205 HA THR 29 HA THR 29 8.483 -3.798 6.585 206 HB THR 29 HB THR 29 8.494 -6.200 4.749 207 HG1 THR 29 1HG THR 29 7.640 -5.706 7.375 208 HG21 THR 29 1HG2 THR 29 10.609 -5.009 6.311 209 HG22 THR 29 2HG2 THR 29 10.669 -6.386 5.211 210 HG23 THR 29 3HG2 THR 29 10.227 -6.626 6.901 211 H GLU 30 H GLU 30 10.255 -2.645 6.174 212 HA GLU 30 HA GLU 30 10.763 -1.633 3.560 213 HB2 GLU 30 1HB GLU 30 11.974 -1.302 6.258 214 HB3 GLU 30 2HB GLU 30 12.963 -0.875 4.869 215 HG2 GLU 30 1HG GLU 30 11.439 0.782 4.168 216 HG3 GLU 30 2HG GLU 30 10.191 0.204 5.271 217 HA PRO 31 HA PRO 31 13.446 -4.768 2.015 218 HB2 PRO 31 1HB PRO 31 14.701 -3.316 0.095 219 HB3 PRO 31 2HB PRO 31 13.032 -3.878 -0.062 220 HG2 PRO 31 1HG PRO 31 14.055 -1.183 0.745 221 HG3 PRO 31 2HG PRO 31 12.718 -1.591 -0.346 222 HD2 PRO 31 1HD PRO 31 12.322 -0.832 2.222 223 HD3 PRO 31 2HD PRO 31 11.253 -1.980 1.390 224 HA PRO 32 HA PRO 32 17.473 -4.386 3.738 225 HB2 PRO 32 1HB PRO 32 19.064 -5.551 1.872 226 HB3 PRO 32 2HB PRO 32 17.951 -6.469 2.893 227 HG2 PRO 32 1HG PRO 32 17.604 -5.546 0.067 228 HG3 PRO 32 2HG PRO 32 17.196 -7.113 0.790 229 HD2 PRO 32 1HD PRO 32 15.342 -5.193 0.331 230 HD3 PRO 32 2HD PRO 32 15.228 -6.324 1.695 231 H VAL 33 H VAL 33 16.721 -2.791 0.832 232 HA VAL 33 HA VAL 33 19.123 -1.108 1.108 233 HB VAL 33 HB VAL 33 17.785 -1.905 -1.481 234 HG11 VAL 33 1HG1 VAL 33 19.952 0.074 -0.853 235 HG12 VAL 33 2HG1 VAL 33 19.803 -0.666 -2.448 236 HG13 VAL 33 3HG1 VAL 33 18.483 0.308 -1.799 237 HG21 VAL 33 1HG2 VAL 33 20.637 -2.439 -0.741 238 HG22 VAL 33 2HG2 VAL 33 19.355 -3.539 -0.235 239 HG23 VAL 33 3HG2 VAL 33 19.630 -3.236 -1.950 240 H ARG 34 H ARG 34 18.321 0.669 2.068 241 HA ARG 34 HA ARG 34 15.744 1.684 1.863 242 HB2 ARG 34 1HB ARG 34 17.666 2.308 3.483 243 HB3 ARG 34 2HB ARG 34 18.127 3.474 2.250 244 HG2 ARG 34 1HG ARG 34 16.801 4.785 3.550 245 HG3 ARG 34 2HG ARG 34 15.588 4.155 2.432 246 HD2 ARG 34 1HD ARG 34 14.714 2.694 4.001 247 HD3 ARG 34 2HD ARG 34 16.188 2.692 4.968 248 HE ARG 34 HE ARG 34 15.056 5.272 4.968 249 HH11 ARG 34 2HH1 ARG 34 14.513 2.077 6.239 250 HH12 ARG 34 1HH1 ARG 34 13.663 2.638 7.640 251 HH21 ARG 34 2HH2 ARG 34 13.939 6.023 6.809 252 HH22 ARG 34 1HH2 ARG 34 13.336 4.882 7.963 253 HA PRO 35 HA PRO 35 15.969 3.079 -2.398 254 HB2 PRO 35 1HB PRO 35 13.335 3.715 -2.573 255 HB3 PRO 35 2HB PRO 35 13.934 2.057 -2.702 256 HG2 PRO 35 1HG PRO 35 12.730 3.458 -0.347 257 HG3 PRO 35 2HG PRO 35 12.439 1.812 -0.938 258 HD2 PRO 35 1HD PRO 35 14.070 2.340 1.158 259 HD3 PRO 35 2HD PRO 35 14.352 0.985 0.046 260 H ALA 36 H ALA 36 15.576 5.099 -3.498 261 HA ALA 36 HA ALA 36 16.341 7.362 -2.049 262 HB1 ALA 36 1HB ALA 36 15.259 8.489 -4.233 263 HB2 ALA 36 2HB ALA 36 16.836 7.698 -4.227 264 HB3 ALA 36 3HB ALA 36 15.414 6.825 -4.798 265 H GLY 37 H GLY 37 13.140 6.261 -3.080 266 HA2 GLY 37 1HA GLY 37 11.910 7.849 -0.999 267 HA3 GLY 37 2HA GLY 37 11.523 8.379 -2.629 268 H TYR 38 H TYR 38 9.323 7.836 -1.694 269 HA TYR 38 HA TYR 38 8.624 5.147 -2.587 270 HB2 TYR 38 1HB TYR 38 8.308 6.180 0.185 271 HB3 TYR 38 2HB TYR 38 6.985 5.225 -0.476 272 HD1 TYR 38 2HD TYR 38 8.005 3.055 -1.854 273 HD2 TYR 38 1HD TYR 38 9.750 4.983 1.513 274 HE1 TYR 38 2HE TYR 38 9.219 0.987 -1.306 275 HE2 TYR 38 1HE TYR 38 10.970 2.921 2.070 276 HH TYR 38 HH TYR 38 10.642 0.411 1.623 277 H LEU 39 H LEU 39 6.534 4.952 -3.381 278 HA LEU 39 HA LEU 39 4.862 7.363 -3.368 279 HB2 LEU 39 1HB LEU 39 6.192 7.322 -5.445 280 HB3 LEU 39 2HB LEU 39 5.512 5.741 -5.825 281 HG LEU 39 HG LEU 39 3.672 8.057 -5.423 282 HD11 LEU 39 1HD1 LEU 39 5.119 7.486 -8.004 283 HD12 LEU 39 2HD1 LEU 39 5.450 8.855 -6.942 284 HD13 LEU 39 3HD1 LEU 39 3.880 8.711 -7.731 285 HD21 LEU 39 1HD2 LEU 39 3.636 5.377 -6.665 286 HD22 LEU 39 2HD2 LEU 39 2.725 6.640 -7.494 287 HD23 LEU 39 3HD2 LEU 39 2.365 6.252 -5.811 288 H LEU 40 H LEU 40 3.136 6.657 -2.270 289 HA LEU 40 HA LEU 40 1.997 4.041 -2.982 290 HB2 LEU 40 1HB LEU 40 2.589 4.240 -0.647 291 HB3 LEU 40 2HB LEU 40 1.652 5.726 -0.507 292 HG LEU 40 HG LEU 40 -0.309 4.088 -1.264 293 HD11 LEU 40 1HD1 LEU 40 0.496 2.051 0.441 294 HD12 LEU 40 2HD1 LEU 40 1.888 2.332 -0.604 295 HD13 LEU 40 3HD1 LEU 40 0.317 1.958 -1.311 296 HD21 LEU 40 1HD2 LEU 40 0.198 5.480 0.918 297 HD22 LEU 40 2HD2 LEU 40 0.496 3.878 1.592 298 HD23 LEU 40 3HD2 LEU 40 -1.074 4.259 0.883 299 H SER 41 H SER 41 0.345 4.137 -4.341 300 HA SER 41 HA SER 41 -1.567 6.362 -4.073 301 HB2 SER 41 1HB SER 41 -0.018 6.382 -6.147 302 HB3 SER 41 2HB SER 41 -1.001 5.031 -6.713 303 HG SER 41 HG SER 41 -2.251 6.567 -7.426 304 H PHE 42 H PHE 42 -3.487 5.654 -3.454 305 HA PHE 42 HA PHE 42 -4.224 2.869 -3.958 306 HB2 PHE 42 1HB PHE 42 -5.940 3.191 -2.260 307 HB3 PHE 42 2HB PHE 42 -4.379 3.724 -1.643 308 HD1 PHE 42 1HD PHE 42 -7.701 4.779 -2.741 309 HD2 PHE 42 2HD PHE 42 -3.941 6.057 -1.209 310 HE1 PHE 42 1HE PHE 42 -8.677 6.967 -2.180 311 HE2 PHE 42 2HE PHE 42 -4.911 8.246 -0.645 312 HZ PHE 42 HZ PHE 42 -7.282 8.704 -1.130 313 H HIS 43 H HIS 43 -5.500 2.387 -5.606 314 HA HIS 43 HA HIS 43 -7.258 4.483 -6.692 315 HB2 HIS 43 1HB HIS 43 -6.880 3.698 -8.810 316 HB3 HIS 43 2HB HIS 43 -5.359 3.217 -8.064 317 HD1 HIS 43 1HD HIS 43 -5.506 0.621 -7.035 318 HD2 HIS 43 2HD HIS 43 -8.068 1.670 -10.132 319 HE1 HIS 43 1HE HIS 43 -6.258 -1.553 -8.051 320 HE2 HIS 43 2HE HIS 43 -7.739 -0.891 -9.977 321 H THR 44 H THR 44 -9.350 4.261 -6.307 322 HA THR 44 HA THR 44 -10.453 1.942 -5.097 323 HB THR 44 HB THR 44 -11.275 4.379 -4.910 324 HG1 THR 44 1HG THR 44 -13.433 3.579 -4.562 325 HG21 THR 44 1HG2 THR 44 -12.450 5.332 -6.577 326 HG22 THR 44 2HG2 THR 44 -13.273 3.826 -6.986 327 HG23 THR 44 3HG2 THR 44 -11.652 4.142 -7.604 328 HA PRO 45 HA PRO 45 -11.463 -0.497 -8.622 329 HB2 PRO 45 1HB PRO 45 -13.475 -1.976 -7.556 330 HB3 PRO 45 2HB PRO 45 -11.774 -2.230 -7.146 331 HG2 PRO 45 1HG PRO 45 -13.885 -0.738 -5.636 332 HG3 PRO 45 2HG PRO 45 -12.652 -1.856 -5.025 333 HD2 PRO 45 1HD PRO 45 -12.390 0.834 -4.858 334 HD3 PRO 45 2HD PRO 45 -10.999 -0.250 -5.059 335 H GLY 46 H GLY 46 -13.218 2.056 -7.630 336 HA2 GLY 46 1HA GLY 46 -15.613 1.455 -9.207 337 HA3 GLY 46 2HA GLY 46 -15.389 2.844 -8.154 338 H GLY 47 H GLY 47 -12.878 3.702 -9.157 339 HA2 GLY 47 1HA GLY 47 -12.374 4.005 -11.760 340 HA3 GLY 47 2HA GLY 47 -13.813 4.999 -11.588 341 H GLN 48 H GLN 48 -12.624 5.411 -8.695 342 HA GLN 48 HA GLN 48 -11.236 7.858 -9.431 343 HB2 GLN 48 1HB GLN 48 -13.065 7.391 -7.517 344 HB3 GLN 48 2HB GLN 48 -11.601 7.132 -6.579 345 HG2 GLN 48 1HG GLN 48 -10.922 9.427 -7.722 346 HG3 GLN 48 2HG GLN 48 -12.674 9.614 -7.782 347 HE21 GLN 48 1HE2 GLN 48 -10.849 11.193 -6.271 348 HE22 GLN 48 2HE2 GLN 48 -11.243 10.986 -4.602 349 H THR 49 H THR 49 -9.319 8.484 -8.030 350 HA THR 49 HA THR 49 -7.675 6.392 -6.977 351 HB THR 49 HB THR 49 -6.780 7.671 -9.567 352 HG1 THR 49 1HG THR 49 -6.912 5.455 -10.309 353 HG21 THR 49 1HG2 THR 49 -5.435 5.911 -7.555 354 HG22 THR 49 2HG2 THR 49 -4.811 7.331 -8.396 355 HG23 THR 49 3HG2 THR 49 -4.987 5.802 -9.257 356 H GLN 50 H GLN 50 -5.931 7.173 -5.805 357 HA GLN 50 HA GLN 50 -5.486 10.074 -5.841 358 HB2 GLN 50 1HB GLN 50 -7.074 9.346 -3.989 359 HB3 GLN 50 2HB GLN 50 -5.703 8.508 -3.275 360 HG2 GLN 50 1HG GLN 50 -4.619 10.459 -2.726 361 HG3 GLN 50 2HG GLN 50 -5.459 11.397 -3.960 362 HE21 GLN 50 1HE2 GLN 50 -5.090 11.659 -0.970 363 HE22 GLN 50 2HE2 GLN 50 -6.689 11.922 -0.370 364 H GLU 51 H GLU 51 -3.401 10.673 -5.691 365 HA GLU 51 HA GLU 51 -1.427 8.540 -5.224 366 HB2 GLU 51 1HB GLU 51 -1.452 10.940 -7.007 367 HB3 GLU 51 2HB GLU 51 0.089 10.327 -6.424 368 HG2 GLU 51 1HG GLU 51 -0.304 8.194 -7.439 369 HG3 GLU 51 2HG GLU 51 -1.944 8.661 -7.886 370 H ILE 52 H ILE 52 -0.029 8.709 -3.584 371 HA ILE 52 HA ILE 52 0.221 11.309 -2.223 372 HB ILE 52 HB ILE 52 -0.013 8.611 -0.885 373 HG12 ILE 52 1HG1 ILE 52 -1.839 10.999 -0.612 374 HG13 ILE 52 2HG1 ILE 52 -2.126 9.714 -1.781 375 HG21 ILE 52 1HG2 ILE 52 -0.186 10.452 1.101 376 HG22 ILE 52 2HG2 ILE 52 1.287 9.589 0.663 377 HG23 ILE 52 3HG2 ILE 52 0.995 11.209 0.032 378 HD11 ILE 52 1HD1 ILE 52 -1.878 9.255 1.179 379 HD12 ILE 52 2HD1 ILE 52 -3.409 9.506 0.339 380 HD13 ILE 52 3HD1 ILE 52 -2.409 8.107 -0.050 381 H LEU 53 H LEU 53 2.248 11.967 -1.905 382 HA LEU 53 HA LEU 53 4.427 10.186 -2.637 383 HB2 LEU 53 1HB LEU 53 4.088 12.673 -3.333 384 HB3 LEU 53 2HB LEU 53 4.788 13.019 -1.753 385 HG LEU 53 HG LEU 53 6.206 11.266 -3.735 386 HD11 LEU 53 1HD1 LEU 53 5.522 13.653 -4.573 387 HD12 LEU 53 2HD1 LEU 53 7.154 13.039 -4.835 388 HD13 LEU 53 3HD1 LEU 53 6.838 14.169 -3.518 389 HD21 LEU 53 1HD2 LEU 53 8.018 12.755 -2.295 390 HD22 LEU 53 2HD2 LEU 53 7.547 11.088 -1.961 391 HD23 LEU 53 3HD2 LEU 53 6.749 12.416 -1.117 392 H LEU 54 H LEU 54 5.830 9.290 -1.252 393 HA LEU 54 HA LEU 54 5.400 9.727 1.598 394 HB2 LEU 54 1HB LEU 54 6.828 7.633 -0.004 395 HB3 LEU 54 2HB LEU 54 7.070 7.775 1.736 396 HG LEU 54 HG LEU 54 5.452 6.026 1.165 397 HD11 LEU 54 1HD1 LEU 54 3.798 6.614 2.761 398 HD12 LEU 54 2HD1 LEU 54 4.049 8.337 2.486 399 HD13 LEU 54 3HD1 LEU 54 5.302 7.379 3.275 400 HD21 LEU 54 1HD2 LEU 54 4.641 7.424 -0.881 401 HD22 LEU 54 2HD2 LEU 54 3.506 8.112 0.281 402 HD23 LEU 54 3HD2 LEU 54 3.511 6.374 -0.026 403 HA PRO 55 HA PRO 55 9.019 12.123 2.267 404 HB2 PRO 55 1HB PRO 55 9.725 11.304 4.757 405 HB3 PRO 55 2HB PRO 55 8.325 12.337 4.446 406 HG2 PRO 55 1HG PRO 55 8.434 9.381 4.909 407 HG3 PRO 55 2HG PRO 55 7.291 10.573 5.555 408 HD2 PRO 55 1HD PRO 55 6.692 8.967 3.459 409 HD3 PRO 55 2HD PRO 55 6.042 10.611 3.617 410 H GLY 56 H GLY 56 9.155 8.664 2.367 411 HA2 GLY 56 1HA GLY 56 10.851 7.312 1.516 412 HA3 GLY 56 2HA GLY 56 11.890 8.725 1.409 413 H GLY 57 H GLY 57 10.365 6.601 3.830 414 HA2 GLY 57 1HA GLY 57 12.456 5.570 5.115 415 HA3 GLY 57 2HA GLY 57 12.487 7.217 5.728 416 H ILE 58 H ILE 58 9.845 4.924 5.051 417 HA ILE 58 HA ILE 58 9.168 4.895 7.891 418 HB ILE 58 HB ILE 58 6.960 5.615 7.663 419 HG12 ILE 58 1HG1 ILE 58 7.298 5.429 4.661 420 HG13 ILE 58 2HG1 ILE 58 6.402 4.296 5.667 421 HG21 ILE 58 1HG2 ILE 58 8.708 7.408 7.419 422 HG22 ILE 58 2HG2 ILE 58 8.388 7.376 5.685 423 HG23 ILE 58 3HG2 ILE 58 7.106 7.825 6.810 424 HD11 ILE 58 1HD1 ILE 58 4.818 6.041 6.246 425 HD12 ILE 58 2HD1 ILE 58 5.729 7.203 5.281 426 HD13 ILE 58 3HD1 ILE 58 4.927 5.842 4.497 427 H THR 59 H THR 59 7.411 3.297 8.356 428 HA THR 59 HA THR 59 7.585 1.025 6.484 429 HB THR 59 HB THR 59 7.305 -0.464 8.434 430 HG1 THR 59 1HG THR 59 6.641 0.422 10.228 431 HG21 THR 59 1HG2 THR 59 9.547 -0.141 9.395 432 HG22 THR 59 2HG2 THR 59 9.619 1.465 8.669 433 HG23 THR 59 3HG2 THR 59 9.557 0.034 7.640 434 H SER 60 H SER 60 5.545 3.342 7.306 435 HA SER 60 HA SER 60 3.235 1.999 6.420 436 HB2 SER 60 1HB SER 60 1.908 2.188 8.564 437 HB3 SER 60 2HB SER 60 3.139 0.925 8.559 438 HG SER 60 HG SER 60 2.892 2.690 10.373 439 H HIS 61 H HIS 61 1.789 3.452 5.690 440 HA HIS 61 HA HIS 61 2.071 6.238 6.608 441 HB2 HIS 61 1HB HIS 61 2.895 5.572 4.210 442 HB3 HIS 61 2HB HIS 61 1.177 5.587 3.822 443 HD1 HIS 61 1HD HIS 61 0.682 7.710 2.671 444 HD2 HIS 61 2HD HIS 61 3.336 8.251 5.821 445 HE1 HIS 61 1HE HIS 61 1.108 10.187 2.773 446 HE2 HIS 61 2HE HIS 61 2.782 10.481 4.632 447 H GLN 62 H GLN 62 0.228 7.374 7.010 448 HA GLN 62 HA GLN 62 -2.219 5.830 7.205 449 HB2 GLN 62 1HB GLN 62 -1.670 7.164 9.115 450 HB3 GLN 62 2HB GLN 62 -1.463 8.602 8.125 451 HG2 GLN 62 1HG GLN 62 -3.529 8.841 9.225 452 HG3 GLN 62 2HG GLN 62 -3.903 8.429 7.552 453 HE21 GLN 62 1HE2 GLN 62 -5.372 6.921 7.269 454 HE22 GLN 62 2HE2 GLN 62 -5.819 5.704 8.410 455 H LEU 63 H LEU 63 -3.950 6.005 5.916 456 HA LEU 63 HA LEU 63 -3.828 7.983 3.746 457 HB2 LEU 63 1HB LEU 63 -5.359 5.393 3.934 458 HB3 LEU 63 2HB LEU 63 -5.387 6.495 2.558 459 HG LEU 63 HG LEU 63 -2.851 5.188 3.508 460 HD11 LEU 63 1HD1 LEU 63 -3.826 3.243 2.941 461 HD12 LEU 63 2HD1 LEU 63 -3.508 3.791 1.295 462 HD13 LEU 63 3HD1 LEU 63 -5.102 4.029 2.011 463 HD21 LEU 63 1HD2 LEU 63 -3.206 5.760 0.681 464 HD22 LEU 63 2HD2 LEU 63 -1.890 6.201 1.770 465 HD23 LEU 63 3HD2 LEU 63 -3.341 7.202 1.688 466 H LEU 64 H LEU 64 -5.462 9.404 3.395 467 HA LEU 64 HA LEU 64 -7.673 9.376 5.342 468 HB2 LEU 64 1HB LEU 64 -6.801 11.832 3.878 469 HB3 LEU 64 2HB LEU 64 -7.662 11.696 5.409 470 HG LEU 64 HG LEU 64 -5.498 12.506 5.913 471 HD11 LEU 64 1HD1 LEU 64 -5.955 11.051 7.615 472 HD12 LEU 64 2HD1 LEU 64 -4.453 10.356 7.007 473 HD13 LEU 64 3HD1 LEU 64 -6.001 9.645 6.552 474 HD21 LEU 64 1HD2 LEU 64 -3.547 11.886 4.929 475 HD22 LEU 64 2HD2 LEU 64 -4.649 11.458 3.620 476 HD23 LEU 64 3HD2 LEU 64 -4.055 10.210 4.716 477 H GLY 65 H GLY 65 -9.563 10.839 4.436 478 HA2 GLY 65 1HA GLY 65 -11.342 10.866 2.982 479 HA3 GLY 65 2HA GLY 65 -10.118 11.081 1.740 480 H LEU 66 H LEU 66 -12.085 8.749 3.462 481 HA LEU 66 HA LEU 66 -11.761 6.908 1.203 482 HB2 LEU 66 1HB LEU 66 -11.761 6.008 4.077 483 HB3 LEU 66 2HB LEU 66 -11.552 5.001 2.645 484 HG LEU 66 HG LEU 66 -9.595 7.117 3.535 485 HD11 LEU 66 1HD1 LEU 66 -8.596 5.655 4.887 486 HD12 LEU 66 2HD1 LEU 66 -8.752 4.342 3.721 487 HD13 LEU 66 3HD1 LEU 66 -10.091 4.724 4.803 488 HD21 LEU 66 1HD2 LEU 66 -8.162 6.307 1.873 489 HD22 LEU 66 2HD2 LEU 66 -9.736 6.406 1.083 490 HD23 LEU 66 3HD2 LEU 66 -9.121 4.846 1.631 491 H PHE 67 H PHE 67 -13.563 5.675 0.710 492 HA PHE 67 HA PHE 67 -16.061 6.689 1.785 493 HB2 PHE 67 1HB PHE 67 -15.475 4.772 -0.480 494 HB3 PHE 67 2HB PHE 67 -17.090 5.308 -0.026 495 HD1 PHE 67 2HD PHE 67 -16.540 8.170 0.551 496 HD2 PHE 67 1HD PHE 67 -15.216 5.655 -2.617 497 HE1 PHE 67 2HE PHE 67 -16.295 10.139 -0.905 498 HE2 PHE 67 1HE PHE 67 -14.967 7.620 -4.078 499 HZ PHE 67 HZ PHE 67 -15.508 9.865 -3.223 500 HA PRO 68 HA PRO 68 -16.976 3.332 4.461 501 HB2 PRO 68 1HB PRO 68 -19.677 3.194 4.221 502 HB3 PRO 68 2HB PRO 68 -18.855 4.499 5.084 503 HG2 PRO 68 1HG PRO 68 -19.957 4.467 2.301 504 HG3 PRO 68 2HG PRO 68 -20.066 5.738 3.533 505 HD2 PRO 68 1HD PRO 68 -18.288 5.836 1.493 506 HD3 PRO 68 2HD PRO 68 -17.943 6.521 3.094 507 H SER 69 H SER 69 -16.828 1.188 4.267 508 HA SER 69 HA SER 69 -16.790 -0.891 3.336 509 HB2 SER 69 1HB SER 69 -19.245 -0.594 3.793 510 HB3 SER 69 2HB SER 69 -19.438 -0.083 2.116 511 HG SER 69 HG SER 69 -18.225 -2.243 1.780 512 H THR 70 H THR 70 -15.558 1.259 1.833 513 HA THR 70 HA THR 70 -15.957 0.333 -0.932 514 HB THR 70 HB THR 70 -14.771 2.902 0.124 515 HG1 THR 70 1HG THR 70 -16.982 2.455 -1.616 516 HG21 THR 70 1HG2 THR 70 -13.645 3.175 -1.778 517 HG22 THR 70 2HG2 THR 70 -15.114 2.903 -2.714 518 HG23 THR 70 3HG2 THR 70 -14.094 1.540 -2.258 519 H SER 71 H SER 71 -14.557 -1.195 -1.496 520 HA SER 71 HA SER 71 -12.107 -1.686 -0.176 521 HB2 SER 71 1HB SER 71 -13.465 -3.376 -1.470 522 HB3 SER 71 2HB SER 71 -12.864 -2.625 -2.949 523 HG SER 71 HG SER 71 -11.688 -4.481 -1.515 524 H TYR 72 H TYR 72 -10.026 -1.162 -0.671 525 HA TYR 72 HA TYR 72 -9.581 0.577 -3.002 526 HB2 TYR 72 1HB TYR 72 -8.780 1.048 -0.141 527 HB3 TYR 72 2HB TYR 72 -7.889 1.787 -1.467 528 HD1 TYR 72 2HD TYR 72 -9.136 3.309 -3.057 529 HD2 TYR 72 1HD TYR 72 -10.810 1.969 0.617 530 HE1 TYR 72 2HE TYR 72 -10.777 5.139 -3.145 531 HE2 TYR 72 1HE TYR 72 -12.457 3.794 0.540 532 HH TYR 72 HH TYR 72 -13.384 5.332 -1.895 533 H ASN 73 H ASN 73 -7.510 0.493 -3.924 534 HA ASN 73 HA ASN 73 -5.872 -1.795 -3.047 535 HB2 ASN 73 1HB ASN 73 -7.139 -1.999 -5.271 536 HB3 ASN 73 2HB ASN 73 -6.007 -0.799 -5.888 537 HD21 ASN 73 1HD2 ASN 73 -6.175 -3.285 -7.010 538 HD22 ASN 73 2HD2 ASN 73 -4.733 -4.175 -6.672 539 H ALA 74 H ALA 74 -4.158 -0.967 -2.026 540 HA ALA 74 HA ALA 74 -2.984 1.548 -2.858 541 HB1 ALA 74 1HB ALA 74 -1.347 0.913 -0.947 542 HB2 ALA 74 2HB ALA 74 -3.002 1.380 -0.552 543 HB3 ALA 74 3HB ALA 74 -2.546 -0.324 -0.568 544 H ARG 75 H ARG 75 -0.944 1.834 -3.716 545 HA ARG 75 HA ARG 75 0.494 -0.595 -4.547 546 HB2 ARG 75 1HB ARG 75 -0.841 0.413 -6.420 547 HB3 ARG 75 2HB ARG 75 0.145 1.862 -6.267 548 HG2 ARG 75 1HG ARG 75 1.538 -0.732 -6.632 549 HG3 ARG 75 2HG ARG 75 0.701 -0.031 -8.018 550 HD2 ARG 75 1HD ARG 75 2.508 1.690 -6.385 551 HD3 ARG 75 2HD ARG 75 3.215 0.545 -7.525 552 HE ARG 75 HE ARG 75 1.908 2.998 -8.153 553 HH11 ARG 75 2HH1 ARG 75 2.496 -0.233 -9.308 554 HH12 ARG 75 1HH1 ARG 75 2.313 0.191 -10.978 555 HH21 ARG 75 2HH2 ARG 75 1.665 3.569 -10.348 556 HH22 ARG 75 1HH2 ARG 75 1.841 2.354 -11.568 557 H LEU 76 H LEU 76 2.313 -0.542 -3.385 558 HA LEU 76 HA LEU 76 3.635 2.007 -2.862 559 HB2 LEU 76 1HB LEU 76 3.265 0.375 -1.032 560 HB3 LEU 76 2HB LEU 76 4.330 -0.753 -1.869 561 HG LEU 76 HG LEU 76 6.084 1.156 -1.661 562 HD11 LEU 76 1HD1 LEU 76 4.198 1.879 0.577 563 HD12 LEU 76 2HD1 LEU 76 4.491 2.848 -0.867 564 HD13 LEU 76 3HD1 LEU 76 5.795 2.568 0.287 565 HD21 LEU 76 1HD2 LEU 76 5.702 0.127 1.026 566 HD22 LEU 76 2HD2 LEU 76 6.998 -0.180 -0.130 567 HD23 LEU 76 3HD2 LEU 76 5.508 -1.121 -0.206 568 H GLN 77 H GLN 77 5.079 2.709 -4.280 569 HA GLN 77 HA GLN 77 6.896 0.755 -5.519 570 HB2 GLN 77 1HB GLN 77 4.977 1.819 -6.990 571 HB3 GLN 77 2HB GLN 77 6.079 3.188 -7.047 572 HG2 GLN 77 1HG GLN 77 7.844 1.498 -7.798 573 HG3 GLN 77 2HG GLN 77 6.487 0.411 -8.088 574 HE21 GLN 77 1HE2 GLN 77 7.465 0.584 -10.293 575 HE22 GLN 77 2HE2 GLN 77 6.875 1.840 -11.322 576 H ALA 78 H ALA 78 8.869 1.156 -4.786 577 HA ALA 78 HA ALA 78 9.608 3.825 -3.906 578 HB1 ALA 78 1HB ALA 78 10.874 2.728 -2.454 579 HB2 ALA 78 2HB ALA 78 10.334 1.204 -3.159 580 HB3 ALA 78 3HB ALA 78 11.790 1.991 -3.769 581 H MET 79 H MET 79 11.349 5.015 -4.721 582 HA MET 79 HA MET 79 11.884 4.544 -7.539 583 HB2 MET 79 1HB MET 79 12.771 6.856 -5.808 584 HB3 MET 79 2HB MET 79 12.789 6.787 -7.565 585 HG2 MET 79 1HG MET 79 10.273 6.499 -7.430 586 HG3 MET 79 2HG MET 79 10.421 6.957 -5.735 587 HE1 MET 79 1HE MET 79 9.453 9.071 -5.281 588 HE2 MET 79 2HE MET 79 11.135 9.460 -4.921 589 HE3 MET 79 3HE MET 79 10.138 10.605 -5.819 590 H TRP 80 H TRP 80 13.594 3.422 -8.169 591 HA TRP 80 HA TRP 80 16.012 3.480 -6.483 592 HB2 TRP 80 1HB TRP 80 14.631 1.231 -7.871 593 HB3 TRP 80 2HB TRP 80 16.390 1.191 -7.785 594 HD1 TRP 80 HD TRP 80 17.450 1.240 -5.226 595 HE1 TRP 80 1HE TRP 80 16.516 0.208 -3.061 596 HE3 TRP 80 3HE TRP 80 12.574 0.654 -6.645 597 HZ2 TRP 80 2HZ TRP 80 14.039 -0.731 -2.085 598 HZ3 TRP 80 3HZ TRP 80 10.986 -0.320 -5.037 599 HH2 TRP 80 HH TRP 80 11.706 -0.997 -2.805 600 H GLY 81 H GLY 81 17.302 4.927 -7.481 601 HA2 GLY 81 1HA GLY 81 18.505 5.973 -9.143 602 HA3 GLY 81 2HA GLY 81 18.787 4.331 -9.704 603 H GLN 82 H GLN 82 17.976 3.734 -11.621 604 HA GLN 82 HA GLN 82 16.182 5.638 -12.967 605 HB2 GLN 82 1HB GLN 82 18.402 3.891 -13.918 606 HB3 GLN 82 2HB GLN 82 17.073 4.213 -15.024 607 HG2 GLN 82 1HG GLN 82 17.499 6.696 -14.391 608 HG3 GLN 82 2HG GLN 82 19.074 6.099 -13.871 609 HE21 GLN 82 1HE2 GLN 82 18.367 7.914 -16.051 610 HE22 GLN 82 2HE2 GLN 82 19.007 7.202 -17.488 611 H SER 83 H SER 83 16.565 2.353 -11.940 612 HA SER 83 HA SER 83 14.328 1.388 -13.512 613 HB2 SER 83 1HB SER 83 16.199 0.114 -11.526 614 HB3 SER 83 2HB SER 83 14.757 -0.727 -12.094 615 HG SER 83 HG SER 83 15.755 -1.136 -13.888 616 H LEU 84 H LEU 84 12.482 0.320 -12.484 617 HA LEU 84 HA LEU 84 11.776 1.525 -9.891 618 HB2 LEU 84 1HB LEU 84 10.011 1.162 -12.307 619 HB3 LEU 84 2HB LEU 84 9.438 1.654 -10.714 620 HG LEU 84 HG LEU 84 11.491 3.257 -12.210 621 HD11 LEU 84 1HD1 LEU 84 8.531 3.762 -12.322 622 HD12 LEU 84 2HD1 LEU 84 9.396 2.875 -13.577 623 HD13 LEU 84 3HD1 LEU 84 9.815 4.554 -13.237 624 HD21 LEU 84 1HD2 LEU 84 11.137 3.653 -9.789 625 HD22 LEU 84 2HD2 LEU 84 9.448 4.030 -10.131 626 HD23 LEU 84 3HD2 LEU 84 10.731 5.046 -10.792 627 H LEU 85 H LEU 85 12.385 -0.413 -8.846 628 HA LEU 85 HA LEU 85 11.848 -2.990 -9.344 629 HB2 LEU 85 1HB LEU 85 11.387 -1.604 -6.707 630 HB3 LEU 85 2HB LEU 85 11.544 -3.347 -6.917 631 HG LEU 85 HG LEU 85 13.676 -1.255 -7.322 632 HD11 LEU 85 1HD1 LEU 85 14.136 -3.569 -5.587 633 HD12 LEU 85 2HD1 LEU 85 12.871 -2.475 -5.029 634 HD13 LEU 85 3HD1 LEU 85 14.497 -1.862 -5.329 635 HD21 LEU 85 1HD2 LEU 85 13.605 -4.165 -8.056 636 HD22 LEU 85 2HD2 LEU 85 15.120 -3.327 -7.718 637 HD23 LEU 85 3HD2 LEU 85 14.089 -2.787 -9.044 638 HA PRO 86 HA PRO 86 7.530 -3.704 -9.694 639 HB2 PRO 86 1HB PRO 86 7.335 -6.219 -8.689 640 HB3 PRO 86 2HB PRO 86 8.057 -5.867 -10.263 641 HG2 PRO 86 1HG PRO 86 9.398 -6.371 -7.634 642 HG3 PRO 86 2HG PRO 86 9.828 -6.978 -9.244 643 HD2 PRO 86 1HD PRO 86 11.107 -4.892 -8.084 644 HD3 PRO 86 2HD PRO 86 10.881 -5.017 -9.841 645 HA PRO 87 HA PRO 87 6.280 -2.432 -5.538 646 HB2 PRO 87 1HB PRO 87 3.931 -1.335 -6.344 647 HB3 PRO 87 2HB PRO 87 5.482 -0.497 -6.485 648 HG2 PRO 87 1HG PRO 87 3.942 -1.998 -8.568 649 HG3 PRO 87 2HG PRO 87 4.788 -0.446 -8.704 650 HD2 PRO 87 1HD PRO 87 5.852 -2.769 -9.600 651 HD3 PRO 87 2HD PRO 87 6.849 -1.449 -8.956 652 H VAL 88 H VAL 88 4.448 -2.952 -4.170 653 HA VAL 88 HA VAL 88 3.189 -5.486 -4.962 654 HB VAL 88 HB VAL 88 2.672 -5.587 -2.430 655 HG11 VAL 88 1HG1 VAL 88 4.422 -6.870 -3.815 656 HG12 VAL 88 2HG1 VAL 88 5.592 -5.770 -3.084 657 HG13 VAL 88 3HG1 VAL 88 4.613 -6.823 -2.063 658 HG21 VAL 88 1HG2 VAL 88 5.026 -3.726 -2.274 659 HG22 VAL 88 2HG2 VAL 88 3.363 -3.153 -2.143 660 HG23 VAL 88 3HG2 VAL 88 3.994 -4.304 -0.966 661 H SER 89 H SER 89 0.998 -5.788 -4.863 662 HA SER 89 HA SER 89 -0.620 -3.388 -4.305 663 HB2 SER 89 1HB SER 89 -2.251 -4.353 -5.973 664 HB3 SER 89 2HB SER 89 -0.716 -3.825 -6.661 665 HG SER 89 HG SER 89 -1.499 -5.950 -7.343 666 H THR 90 H THR 90 -2.246 -3.565 -2.884 667 HA THR 90 HA THR 90 -3.106 -6.252 -2.056 668 HB THR 90 HB THR 90 -1.463 -5.261 -0.416 669 HG1 THR 90 1HG THR 90 -2.873 -6.817 0.345 670 HG21 THR 90 1HG2 THR 90 -2.044 -2.942 -0.489 671 HG22 THR 90 2HG2 THR 90 -2.431 -3.533 1.127 672 HG23 THR 90 3HG2 THR 90 -3.717 -3.290 -0.054 673 H SER 91 H SER 91 -5.195 -6.281 -0.953 674 HA SER 91 HA SER 91 -6.901 -4.002 -1.719 675 HB2 SER 91 1HB SER 91 -8.731 -5.762 -2.000 676 HB3 SER 91 2HB SER 91 -7.471 -5.740 -3.234 677 HG SER 91 HG SER 91 -7.991 -7.860 -2.409 678 H PHE 92 H PHE 92 -8.021 -3.113 -0.116 679 HA PHE 92 HA PHE 92 -8.688 -4.722 2.241 680 HB2 PHE 92 1HB PHE 92 -7.927 -3.004 3.766 681 HB3 PHE 92 2HB PHE 92 -6.592 -3.469 2.717 682 HD1 PHE 92 2HD PHE 92 -9.016 -0.837 3.512 683 HD2 PHE 92 1HD PHE 92 -5.659 -1.931 1.135 684 HE1 PHE 92 2HE PHE 92 -8.700 1.520 2.880 685 HE2 PHE 92 1HE PHE 92 -5.337 0.424 0.500 686 HZ PHE 92 HZ PHE 92 -6.859 2.153 1.371 687 H THR 93 H THR 93 -10.644 -4.281 3.124 688 HA THR 93 HA THR 93 -12.261 -2.244 1.761 689 HB THR 93 HB THR 93 -13.266 -4.498 3.504 690 HG1 THR 93 1HG THR 93 -12.499 -5.616 1.829 691 HG21 THR 93 1HG2 THR 93 -14.607 -2.303 2.763 692 HG22 THR 93 2HG2 THR 93 -15.374 -3.884 2.907 693 HG23 THR 93 3HG2 THR 93 -14.870 -3.289 1.325 694 H THR 94 H THR 94 -13.245 -0.612 2.844 695 HA THR 94 HA THR 94 -12.337 -0.084 5.542 696 HB THR 94 HB THR 94 -13.593 2.081 5.246 697 HG1 THR 94 1HG THR 94 -15.090 1.699 3.704 698 HG21 THR 94 1HG2 THR 94 -11.312 2.260 4.820 699 HG22 THR 94 2HG2 THR 94 -12.034 2.855 3.325 700 HG23 THR 94 3HG2 THR 94 -11.394 1.214 3.403 701 H GLY 95 H GLY 95 -13.732 0.412 7.307 702 HA2 GLY 95 1HA GLY 95 -15.892 -1.394 7.604 703 HA3 GLY 95 2HA GLY 95 -15.459 -0.114 8.728 704 H GLY 96 H GLY 96 -17.842 -0.009 8.962 705 HA2 GLY 96 1HA GLY 96 -19.012 1.668 6.827 706 HA3 GLY 96 2HA GLY 96 -19.951 0.505 7.750 707 H LEU 97 H LEU 97 -20.809 3.083 7.602 708 HA LEU 97 HA LEU 97 -19.928 4.469 10.006 709 HB2 LEU 97 1HB LEU 97 -21.994 5.224 7.945 710 HB3 LEU 97 2HB LEU 97 -21.452 6.247 9.274 711 HG LEU 97 HG LEU 97 -19.666 5.278 7.046 712 HD11 LEU 97 1HD1 LEU 97 -20.322 6.967 5.758 713 HD12 LEU 97 2HD1 LEU 97 -20.261 8.111 7.098 714 HD13 LEU 97 3HD1 LEU 97 -21.707 7.137 6.837 715 HD21 LEU 97 1HD2 LEU 97 -18.295 5.794 8.855 716 HD22 LEU 97 2HD2 LEU 97 -19.319 7.132 9.376 717 HD23 LEU 97 3HD2 LEU 97 -18.327 7.292 7.926 718 H ARG 98 H ARG 98 -20.680 3.100 11.638 719 HA ARG 98 HA ARG 98 -23.419 3.529 12.385 720 HB2 ARG 98 1HB ARG 98 -23.417 1.518 10.794 721 HB3 ARG 98 2HB ARG 98 -22.576 0.655 12.074 722 HG2 ARG 98 1HG ARG 98 -24.440 0.992 13.576 723 HG3 ARG 98 2HG ARG 98 -25.275 1.957 12.357 724 HD2 ARG 98 1HD ARG 98 -24.434 -0.884 11.854 725 HD3 ARG 98 2HD ARG 98 -25.978 -0.483 12.606 726 HE ARG 98 HE ARG 98 -25.460 0.860 10.102 727 HH11 ARG 98 2HH1 ARG 98 -26.836 -1.926 11.671 728 HH12 ARG 98 1HH1 ARG 98 -27.907 -2.298 10.360 729 HH21 ARG 98 2HH2 ARG 98 -26.865 0.382 8.370 730 HH22 ARG 98 1HH2 ARG 98 -27.922 -0.985 8.483 731 H ILE 99 H ILE 99 -23.878 2.801 14.559 732 HA ILE 99 HA ILE 99 -21.440 2.692 16.180 733 HB ILE 99 HB ILE 99 -24.284 3.292 17.002 734 HG12 ILE 99 1HG1 ILE 99 -23.109 5.581 17.466 735 HG13 ILE 99 2HG1 ILE 99 -21.915 4.999 16.311 736 HG21 ILE 99 1HG2 ILE 99 -22.720 4.219 19.009 737 HG22 ILE 99 2HG2 ILE 99 -23.516 2.646 19.013 738 HG23 ILE 99 3HG2 ILE 99 -21.827 2.778 18.526 739 HD11 ILE 99 1HD1 ILE 99 -24.831 5.034 15.643 740 HD12 ILE 99 2HD1 ILE 99 -23.820 6.466 15.450 741 HD13 ILE 99 3HD1 ILE 99 -23.442 4.992 14.558 742 H SER 100 H SER 100 -20.789 0.695 16.645 743 HA SER 100 HA SER 100 -22.518 -1.563 16.685 744 HB2 SER 100 1HB SER 100 -20.184 -1.839 16.089 745 HB3 SER 100 2HB SER 100 -19.673 -1.222 17.661 746 HG SER 100 HG SER 100 -20.828 -3.055 18.570 747 H GLY 101 H GLY 101 -20.811 0.213 19.258 748 HA2 GLY 101 1HA GLY 101 -22.318 0.662 21.238 749 HA3 GLY 101 2HA GLY 101 -22.626 -1.068 21.204 750 HA PRO 102 HA PRO 102 -19.023 -0.046 24.046 751 HB2 PRO 102 1HB PRO 102 -20.149 -1.018 26.318 752 HB3 PRO 102 2HB PRO 102 -20.347 0.656 25.788 753 HG2 PRO 102 1HG PRO 102 -22.215 -1.662 25.476 754 HG3 PRO 102 2HG PRO 102 -22.577 0.012 25.936 755 HD2 PRO 102 1HD PRO 102 -22.977 -0.930 23.429 756 HD3 PRO 102 2HD PRO 102 -22.522 0.755 23.754 757 H SER 103 H SER 103 -17.903 -1.693 22.922 758 HA SER 103 HA SER 103 -18.515 -4.446 23.152 759 HB2 SER 103 1HB SER 103 -17.106 -3.429 21.345 760 HB3 SER 103 2HB SER 103 -15.820 -3.218 22.532 761 HG SER 103 HG SER 103 -17.016 -5.710 21.892 762 H SER 104 H SER 104 -15.876 -2.552 24.629 763 HA SER 104 HA SER 104 -14.898 -4.541 26.304 764 HB2 SER 104 1HB SER 104 -13.626 -2.529 25.979 765 HB3 SER 104 2HB SER 104 -14.922 -1.537 26.648 766 HG SER 104 HG SER 104 -14.560 -2.558 28.659 767 H GLY 105 H GLY 105 -15.523 -5.406 28.194 768 HA2 GLY 105 1HA GLY 105 -18.162 -4.859 29.168 769 HA3 GLY 105 2HA GLY 105 -17.017 -6.006 29.848 Start of MODEL 18 1 H1 GLY 1 H GLY 1 8.512 -10.808 -15.079 2 HA2 GLY 1 1HA GLY 1 7.233 -12.023 -12.711 3 HA3 GLY 1 2HA GLY 1 7.342 -12.797 -14.285 4 H SER 2 H SER 2 9.293 -11.631 -11.568 5 HA SER 2 HA SER 2 11.427 -12.182 -10.910 6 HB2 SER 2 1HB SER 2 9.881 -14.019 -10.075 7 HB3 SER 2 2HB SER 2 10.452 -14.995 -11.428 8 HG SER 2 HG SER 2 12.599 -14.658 -10.583 9 H SER 3 H SER 3 11.456 -11.497 -13.595 10 HA SER 3 HA SER 3 13.227 -13.498 -14.823 11 HB2 SER 3 1HB SER 3 11.169 -12.734 -16.086 12 HB3 SER 3 2HB SER 3 11.924 -11.145 -16.203 13 HG SER 3 HG SER 3 13.623 -12.087 -17.351 14 H GLY 4 H GLY 4 15.329 -13.074 -15.088 15 HA2 GLY 4 1HA GLY 4 17.246 -11.790 -15.457 16 HA3 GLY 4 2HA GLY 4 16.286 -10.335 -15.233 17 H SER 5 H SER 5 18.904 -11.156 -14.100 18 HA SER 5 HA SER 5 18.192 -10.961 -11.246 19 HB2 SER 5 1HB SER 5 20.546 -12.344 -12.546 20 HB3 SER 5 2HB SER 5 20.437 -12.031 -10.813 21 HG SER 5 HG SER 5 18.563 -13.307 -10.759 22 H SER 6 H SER 6 18.735 -9.111 -10.316 23 HA SER 6 HA SER 6 20.968 -7.562 -11.457 24 HB2 SER 6 1HB SER 6 18.262 -6.655 -10.511 25 HB3 SER 6 2HB SER 6 19.633 -5.546 -10.506 26 HG SER 6 HG SER 6 19.153 -7.011 -12.831 27 H GLY 7 H GLY 7 18.950 -7.670 -8.509 28 HA2 GLY 7 1HA GLY 7 20.519 -8.517 -6.578 29 HA3 GLY 7 2HA GLY 7 21.315 -6.989 -6.923 30 H LEU 8 H LEU 8 19.185 -5.318 -7.370 31 HA LEU 8 HA LEU 8 18.475 -4.459 -4.859 32 HB2 LEU 8 1HB LEU 8 17.104 -4.105 -7.509 33 HB3 LEU 8 2HB LEU 8 16.539 -3.307 -6.042 34 HG LEU 8 HG LEU 8 19.279 -2.939 -7.251 35 HD11 LEU 8 1HD1 LEU 8 17.617 -2.038 -8.746 36 HD12 LEU 8 2HD1 LEU 8 18.433 -0.716 -7.912 37 HD13 LEU 8 3HD1 LEU 8 16.815 -1.209 -7.411 38 HD21 LEU 8 1HD2 LEU 8 18.661 -0.787 -5.633 39 HD22 LEU 8 2HD2 LEU 8 19.750 -2.116 -5.234 40 HD23 LEU 8 3HD2 LEU 8 18.060 -2.177 -4.728 41 H GLU 9 H GLU 9 16.078 -4.216 -4.132 42 HA GLU 9 HA GLU 9 14.526 -6.646 -4.549 43 HB2 GLU 9 1HB GLU 9 15.770 -5.844 -1.939 44 HB3 GLU 9 2HB GLU 9 14.261 -6.744 -1.964 45 HG2 GLU 9 1HG GLU 9 16.564 -7.761 -3.548 46 HG3 GLU 9 2HG GLU 9 16.569 -7.968 -1.797 47 H ALA 10 H ALA 10 12.362 -6.507 -3.556 48 HA ALA 10 HA ALA 10 11.457 -3.706 -3.404 49 HB1 ALA 10 1HB ALA 10 10.646 -5.734 -5.147 50 HB2 ALA 10 2HB ALA 10 9.329 -5.552 -3.987 51 HB3 ALA 10 3HB ALA 10 9.890 -4.158 -4.911 52 HA PRO 11 HA PRO 11 9.630 -4.320 0.538 53 HB2 PRO 11 1HB PRO 11 7.143 -3.257 0.295 54 HB3 PRO 11 2HB PRO 11 8.610 -2.272 0.326 55 HG2 PRO 11 1HG PRO 11 6.986 -3.176 -2.020 56 HG3 PRO 11 2HG PRO 11 7.705 -1.587 -1.703 57 HD2 PRO 11 1HD PRO 11 8.838 -3.391 -3.374 58 HD3 PRO 11 2HD PRO 11 9.796 -2.252 -2.406 59 H ARG 12 H ARG 12 8.206 -5.586 1.784 60 HA ARG 12 HA ARG 12 6.308 -7.298 0.375 61 HB2 ARG 12 1HB ARG 12 7.219 -9.341 1.214 62 HB3 ARG 12 2HB ARG 12 8.529 -8.468 0.431 63 HG2 ARG 12 1HG ARG 12 9.006 -7.587 2.836 64 HG3 ARG 12 2HG ARG 12 8.073 -9.001 3.327 65 HD2 ARG 12 1HD ARG 12 10.433 -9.540 3.281 66 HD3 ARG 12 2HD ARG 12 9.586 -10.430 2.016 67 HE ARG 12 HE ARG 12 10.570 -8.047 0.924 68 HH11 ARG 12 2HH1 ARG 12 11.735 -11.062 2.215 69 HH12 ARG 12 1HH1 ARG 12 13.173 -11.071 1.247 70 HH21 ARG 12 2HH2 ARG 12 12.459 -8.046 -0.354 71 HH22 ARG 12 1HH2 ARG 12 13.583 -9.354 -0.213 72 H ASP 13 H ASP 13 5.318 -8.870 2.164 73 HA ASP 13 HA ASP 13 3.910 -8.999 3.947 74 HB2 ASP 13 1HB ASP 13 6.208 -7.438 5.102 75 HB3 ASP 13 2HB ASP 13 4.791 -7.825 6.075 76 H LEU 14 H LEU 14 3.282 -7.051 2.026 77 HA LEU 14 HA LEU 14 2.486 -4.648 3.442 78 HB2 LEU 14 1HB LEU 14 3.243 -4.312 1.223 79 HB3 LEU 14 2HB LEU 14 2.188 -5.578 0.598 80 HG LEU 14 HG LEU 14 0.261 -4.038 1.356 81 HD11 LEU 14 1HD1 LEU 14 2.160 -1.802 0.922 82 HD12 LEU 14 2HD1 LEU 14 2.127 -2.557 2.515 83 HD13 LEU 14 3HD1 LEU 14 0.657 -1.852 1.843 84 HD21 LEU 14 1HD2 LEU 14 1.881 -2.936 -0.909 85 HD22 LEU 14 2HD2 LEU 14 0.133 -3.133 -0.780 86 HD23 LEU 14 3HD2 LEU 14 1.166 -4.545 -1.006 87 H GLU 15 H GLU 15 0.671 -4.538 4.570 88 HA GLU 15 HA GLU 15 -1.744 -5.815 3.551 89 HB2 GLU 15 1HB GLU 15 -2.169 -6.528 6.039 90 HB3 GLU 15 2HB GLU 15 -1.224 -7.555 4.970 91 HG2 GLU 15 1HG GLU 15 -0.403 -6.992 7.392 92 HG3 GLU 15 2HG GLU 15 0.732 -7.128 6.051 93 H ALA 16 H ALA 16 -3.578 -5.284 5.325 94 HA ALA 16 HA ALA 16 -3.403 -2.374 5.718 95 HB1 ALA 16 1HB ALA 16 -5.671 -2.202 5.323 96 HB2 ALA 16 2HB ALA 16 -5.208 -3.510 4.233 97 HB3 ALA 16 3HB ALA 16 -5.983 -3.879 5.773 98 H LYS 17 H LYS 17 -3.338 -1.588 7.715 99 HA LYS 17 HA LYS 17 -4.161 -3.342 9.936 100 HB2 LYS 17 1HB LYS 17 -2.115 -1.122 10.047 101 HB3 LYS 17 2HB LYS 17 -2.492 -2.277 11.319 102 HG2 LYS 17 1HG LYS 17 -1.606 -3.376 8.718 103 HG3 LYS 17 2HG LYS 17 -0.400 -2.546 9.704 104 HD2 LYS 17 1HD LYS 17 -0.219 -4.730 10.447 105 HD3 LYS 17 2HD LYS 17 -1.332 -4.030 11.625 106 HE2 LYS 17 1HE LYS 17 -2.496 -5.258 9.186 107 HE3 LYS 17 2HE LYS 17 -1.817 -6.342 10.400 108 HZ1 LYS 17 1HZ LYS 17 -4.320 -5.328 10.443 109 HZ2 LYS 17 2HZ LYS 17 -3.506 -4.287 11.498 110 HZ3 LYS 17 3HZ LYS 17 -3.504 -5.954 11.786 111 H GLU 18 H GLU 18 -4.844 -2.137 11.922 112 HA GLU 18 HA GLU 18 -6.648 -0.937 12.739 113 HB2 GLU 18 1HB GLU 18 -4.909 1.313 11.718 114 HB3 GLU 18 2HB GLU 18 -6.050 1.387 13.053 115 HG2 GLU 18 1HG GLU 18 -3.692 -0.466 13.072 116 HG3 GLU 18 2HG GLU 18 -3.588 1.202 13.633 117 H VAL 19 H VAL 19 -7.525 -1.845 10.383 118 HA VAL 19 HA VAL 19 -8.277 0.164 8.520 119 HB VAL 19 HB VAL 19 -9.446 -2.582 8.990 120 HG11 VAL 19 1HG1 VAL 19 -11.129 -1.743 7.742 121 HG12 VAL 19 2HG1 VAL 19 -10.148 -0.417 7.115 122 HG13 VAL 19 3HG1 VAL 19 -10.005 -2.030 6.415 123 HG21 VAL 19 1HG2 VAL 19 -7.706 -3.394 7.871 124 HG22 VAL 19 2HG2 VAL 19 -7.966 -2.253 6.551 125 HG23 VAL 19 3HG2 VAL 19 -6.971 -1.792 7.932 126 H THR 20 H THR 20 -9.795 1.663 8.710 127 HA THR 20 HA THR 20 -12.157 1.109 10.366 128 HB THR 20 HB THR 20 -11.957 3.697 10.912 129 HG1 THR 20 1HG THR 20 -9.764 4.268 11.206 130 HG21 THR 20 1HG2 THR 20 -12.058 2.546 12.847 131 HG22 THR 20 2HG2 THR 20 -10.308 2.768 12.871 132 HG23 THR 20 3HG2 THR 20 -10.998 1.267 12.255 133 HA PRO 21 HA PRO 21 -14.522 2.835 7.095 134 HB2 PRO 21 1HB PRO 21 -16.510 4.107 8.436 135 HB3 PRO 21 2HB PRO 21 -16.398 2.347 8.328 136 HG2 PRO 21 1HG PRO 21 -15.567 4.165 10.557 137 HG3 PRO 21 2HG PRO 21 -16.418 2.611 10.638 138 HD2 PRO 21 1HD PRO 21 -13.764 2.846 11.123 139 HD3 PRO 21 2HD PRO 21 -14.477 1.392 10.395 140 H ARG 22 H ARG 22 -12.964 4.857 9.357 141 HA ARG 22 HA ARG 22 -13.601 7.265 7.795 142 HB2 ARG 22 1HB ARG 22 -12.863 6.786 10.635 143 HB3 ARG 22 2HB ARG 22 -12.286 8.274 9.895 144 HG2 ARG 22 1HG ARG 22 -15.153 7.576 9.573 145 HG3 ARG 22 2HG ARG 22 -14.600 8.148 11.148 146 HD2 ARG 22 1HD ARG 22 -15.142 10.141 10.164 147 HD3 ARG 22 2HD ARG 22 -13.448 10.013 9.693 148 HE ARG 22 HE ARG 22 -14.100 9.683 7.504 149 HH11 ARG 22 2HH1 ARG 22 -16.868 9.578 9.612 150 HH12 ARG 22 1HH1 ARG 22 -18.019 9.642 8.319 151 HH21 ARG 22 2HH2 ARG 22 -15.606 9.768 5.792 152 HH22 ARG 22 1HH2 ARG 22 -17.300 9.749 6.147 153 H THR 23 H THR 23 -11.027 5.155 8.823 154 HA THR 23 HA THR 23 -9.249 6.367 6.875 155 HB THR 23 HB THR 23 -7.357 6.432 8.563 156 HG1 THR 23 1HG THR 23 -8.141 5.404 10.331 157 HG21 THR 23 1HG2 THR 23 -8.430 8.465 7.697 158 HG22 THR 23 2HG2 THR 23 -7.945 8.657 9.382 159 HG23 THR 23 3HG2 THR 23 -9.637 8.369 8.979 160 H ALA 24 H ALA 24 -6.986 5.118 7.139 161 HA ALA 24 HA ALA 24 -7.200 2.388 7.975 162 HB1 ALA 24 1HB ALA 24 -8.360 2.805 5.576 163 HB2 ALA 24 2HB ALA 24 -6.703 2.468 5.075 164 HB3 ALA 24 3HB ALA 24 -7.587 1.291 6.047 165 H LEU 25 H LEU 25 -5.245 2.028 8.776 166 HA LEU 25 HA LEU 25 -2.937 3.434 7.694 167 HB2 LEU 25 1HB LEU 25 -3.035 3.505 10.037 168 HB3 LEU 25 2HB LEU 25 -3.422 1.790 10.156 169 HG LEU 25 HG LEU 25 -0.994 1.567 9.091 170 HD11 LEU 25 1HD1 LEU 25 0.516 3.241 9.981 171 HD12 LEU 25 2HD1 LEU 25 -0.842 4.134 10.664 172 HD13 LEU 25 3HD1 LEU 25 -0.671 3.994 8.915 173 HD21 LEU 25 1HD2 LEU 25 -1.958 1.793 11.888 174 HD22 LEU 25 2HD2 LEU 25 -0.216 1.723 11.622 175 HD23 LEU 25 3HD2 LEU 25 -1.250 0.418 11.039 176 H LEU 26 H LEU 26 -1.542 2.546 6.325 177 HA LEU 26 HA LEU 26 -1.616 -0.372 5.954 178 HB2 LEU 26 1HB LEU 26 -1.017 1.893 4.083 179 HB3 LEU 26 2HB LEU 26 -0.490 0.249 3.727 180 HG LEU 26 HG LEU 26 -3.374 0.802 4.303 181 HD11 LEU 26 1HD1 LEU 26 -2.741 2.444 2.617 182 HD12 LEU 26 2HD1 LEU 26 -3.760 1.183 1.924 183 HD13 LEU 26 3HD1 LEU 26 -2.020 1.170 1.634 184 HD21 LEU 26 1HD2 LEU 26 -2.003 -1.182 2.492 185 HD22 LEU 26 2HD2 LEU 26 -3.714 -1.138 2.918 186 HD23 LEU 26 3HD2 LEU 26 -2.508 -1.515 4.149 187 H THR 27 H THR 27 0.086 -1.485 6.620 188 HA THR 27 HA THR 27 2.639 -0.065 6.993 189 HB THR 27 HB THR 27 3.222 -1.710 8.675 190 HG1 THR 27 1HG THR 27 2.288 -3.596 8.496 191 HG21 THR 27 1HG2 THR 27 2.134 0.008 9.758 192 HG22 THR 27 2HG2 THR 27 1.120 -1.361 10.218 193 HG23 THR 27 3HG2 THR 27 0.611 -0.284 8.917 194 H TRP 28 H TRP 28 4.546 -0.967 6.253 195 HA TRP 28 HA TRP 28 4.405 -3.482 4.770 196 HB2 TRP 28 1HB TRP 28 5.425 -2.544 2.787 197 HB3 TRP 28 2HB TRP 28 3.957 -1.643 3.153 198 HD1 TRP 28 HD TRP 28 7.764 -1.274 3.109 199 HE1 TRP 28 1HE TRP 28 8.350 1.229 3.235 200 HE3 TRP 28 3HE TRP 28 3.092 0.609 3.981 201 HZ2 TRP 28 2HZ TRP 28 7.008 3.678 3.649 202 HZ3 TRP 28 3HZ TRP 28 2.829 3.043 4.231 203 HH2 TRP 28 HH TRP 28 4.748 4.544 4.068 204 H THR 29 H THR 29 6.581 -4.273 4.141 205 HA THR 29 HA THR 29 8.499 -3.639 6.263 206 HB THR 29 HB THR 29 8.417 -5.998 4.371 207 HG1 THR 29 1HG THR 29 7.990 -7.014 6.565 208 HG21 THR 29 1HG2 THR 29 10.617 -5.006 5.678 209 HG22 THR 29 2HG2 THR 29 10.403 -6.680 5.168 210 HG23 THR 29 3HG2 THR 29 10.006 -6.203 6.818 211 H GLU 30 H GLU 30 10.324 -2.571 5.860 212 HA GLU 30 HA GLU 30 10.895 -1.578 3.250 213 HB2 GLU 30 1HB GLU 30 12.103 -1.312 5.956 214 HB3 GLU 30 2HB GLU 30 13.122 -0.934 4.574 215 HG2 GLU 30 1HG GLU 30 11.056 0.510 3.849 216 HG3 GLU 30 2HG GLU 30 10.688 0.450 5.572 217 HA PRO 31 HA PRO 31 13.414 -4.857 1.724 218 HB2 PRO 31 1HB PRO 31 14.724 -3.482 -0.216 219 HB3 PRO 31 2HB PRO 31 13.031 -3.969 -0.360 220 HG2 PRO 31 1HG PRO 31 14.178 -1.315 0.416 221 HG3 PRO 31 2HG PRO 31 12.819 -1.674 -0.665 222 HD2 PRO 31 1HD PRO 31 12.469 -0.873 1.898 223 HD3 PRO 31 2HD PRO 31 11.346 -1.979 1.082 224 HA PRO 32 HA PRO 32 17.451 -4.636 3.452 225 HB2 PRO 32 1HB PRO 32 18.970 -5.946 1.624 226 HB3 PRO 32 2HB PRO 32 17.812 -6.768 2.676 227 HG2 PRO 32 1HG PRO 32 17.507 -5.921 -0.179 228 HG3 PRO 32 2HG PRO 32 17.016 -7.438 0.597 229 HD2 PRO 32 1HD PRO 32 15.269 -5.436 0.076 230 HD3 PRO 32 2HD PRO 32 15.097 -6.513 1.477 231 H VAL 33 H VAL 33 16.676 -2.910 0.713 232 HA VAL 33 HA VAL 33 19.224 -1.449 0.833 233 HB VAL 33 HB VAL 33 17.743 -2.193 -1.692 234 HG11 VAL 33 1HG1 VAL 33 19.364 0.082 -1.126 235 HG12 VAL 33 2HG1 VAL 33 20.225 -0.966 -2.255 236 HG13 VAL 33 3HG1 VAL 33 18.606 -0.386 -2.647 237 HG21 VAL 33 1HG2 VAL 33 20.202 -3.163 -0.357 238 HG22 VAL 33 2HG2 VAL 33 19.031 -4.034 -1.348 239 HG23 VAL 33 3HG2 VAL 33 20.246 -3.010 -2.114 240 H ARG 34 H ARG 34 17.974 -0.051 2.251 241 HA ARG 34 HA ARG 34 15.661 1.238 1.930 242 HB2 ARG 34 1HB ARG 34 17.502 1.691 3.646 243 HB3 ARG 34 2HB ARG 34 18.153 2.838 2.482 244 HG2 ARG 34 1HG ARG 34 16.204 4.192 2.603 245 HG3 ARG 34 2HG ARG 34 15.340 2.967 3.533 246 HD2 ARG 34 1HD ARG 34 15.974 4.406 5.204 247 HD3 ARG 34 2HD ARG 34 17.329 3.278 5.208 248 HE ARG 34 HE ARG 34 17.371 6.052 4.406 249 HH11 ARG 34 2HH1 ARG 34 18.973 2.965 4.259 250 HH12 ARG 34 1HH1 ARG 34 20.527 3.641 3.902 251 HH21 ARG 34 2HH2 ARG 34 19.412 6.955 3.936 252 HH22 ARG 34 1HH2 ARG 34 20.776 5.911 3.719 253 HA PRO 35 HA PRO 35 16.050 2.859 -2.247 254 HB2 PRO 35 1HB PRO 35 13.429 3.531 -2.473 255 HB3 PRO 35 2HB PRO 35 14.018 1.878 -2.683 256 HG2 PRO 35 1HG PRO 35 12.744 3.144 -0.288 257 HG3 PRO 35 2HG PRO 35 12.460 1.541 -0.990 258 HD2 PRO 35 1HD PRO 35 14.021 1.922 1.190 259 HD3 PRO 35 2HD PRO 35 14.331 0.635 0.006 260 H ALA 36 H ALA 36 15.064 4.965 -3.242 261 HA ALA 36 HA ALA 36 16.024 7.145 -1.652 262 HB1 ALA 36 1HB ALA 36 15.118 6.760 -4.433 263 HB2 ALA 36 2HB ALA 36 14.924 8.382 -3.766 264 HB3 ALA 36 3HB ALA 36 16.518 7.628 -3.802 265 H GLY 37 H GLY 37 12.841 6.205 -2.936 266 HA2 GLY 37 1HA GLY 37 11.561 7.545 -0.696 267 HA3 GLY 37 2HA GLY 37 11.205 8.218 -2.280 268 H TYR 38 H TYR 38 8.978 7.637 -1.655 269 HA TYR 38 HA TYR 38 8.346 4.978 -2.668 270 HB2 TYR 38 1HB TYR 38 7.806 5.922 0.103 271 HB3 TYR 38 2HB TYR 38 6.549 4.983 -0.695 272 HD1 TYR 38 2HD TYR 38 8.074 3.027 -2.233 273 HD2 TYR 38 1HD TYR 38 8.761 4.524 1.690 274 HE1 TYR 38 2HE TYR 38 9.254 0.949 -1.653 275 HE2 TYR 38 1HE TYR 38 9.944 2.450 2.281 276 HH TYR 38 HH TYR 38 10.998 0.600 1.342 277 H LEU 39 H LEU 39 6.263 4.794 -3.545 278 HA LEU 39 HA LEU 39 4.712 7.287 -3.705 279 HB2 LEU 39 1HB LEU 39 6.039 7.031 -5.744 280 HB3 LEU 39 2HB LEU 39 5.347 5.429 -5.994 281 HG LEU 39 HG LEU 39 3.083 6.672 -6.086 282 HD11 LEU 39 1HD1 LEU 39 4.937 8.956 -6.741 283 HD12 LEU 39 2HD1 LEU 39 3.993 8.818 -5.258 284 HD13 LEU 39 3HD1 LEU 39 3.175 8.964 -6.814 285 HD21 LEU 39 1HD2 LEU 39 3.453 7.185 -8.500 286 HD22 LEU 39 2HD2 LEU 39 3.992 5.578 -8.008 287 HD23 LEU 39 3HD2 LEU 39 5.171 6.869 -8.251 288 H LEU 40 H LEU 40 3.119 6.586 -2.323 289 HA LEU 40 HA LEU 40 1.844 4.019 -2.733 290 HB2 LEU 40 1HB LEU 40 2.194 4.881 -0.473 291 HB3 LEU 40 2HB LEU 40 1.181 6.275 -0.845 292 HG LEU 40 HG LEU 40 -0.624 4.415 -1.322 293 HD11 LEU 40 1HD1 LEU 40 0.815 2.506 -1.030 294 HD12 LEU 40 2HD1 LEU 40 -0.376 2.541 0.270 295 HD13 LEU 40 3HD1 LEU 40 1.282 3.058 0.579 296 HD21 LEU 40 1HD2 LEU 40 0.257 5.443 1.364 297 HD22 LEU 40 2HD2 LEU 40 -1.241 4.542 1.124 298 HD23 LEU 40 3HD2 LEU 40 -1.000 6.087 0.307 299 H SER 41 H SER 41 0.625 3.918 -4.529 300 HA SER 41 HA SER 41 -1.203 6.138 -5.120 301 HB2 SER 41 1HB SER 41 0.209 5.519 -6.988 302 HB3 SER 41 2HB SER 41 -0.262 3.827 -6.834 303 HG SER 41 HG SER 41 -1.810 6.021 -7.707 304 H PHE 42 H PHE 42 -3.091 5.888 -4.107 305 HA PHE 42 HA PHE 42 -4.328 3.215 -4.102 306 HB2 PHE 42 1HB PHE 42 -5.354 3.690 -2.063 307 HB3 PHE 42 2HB PHE 42 -3.779 4.456 -1.885 308 HD1 PHE 42 2HD PHE 42 -3.635 6.962 -2.450 309 HD2 PHE 42 1HD PHE 42 -7.289 4.908 -1.712 310 HE1 PHE 42 2HE PHE 42 -4.734 9.105 -1.947 311 HE2 PHE 42 1HE PHE 42 -8.394 7.048 -1.208 312 HZ PHE 42 HZ PHE 42 -7.116 9.150 -1.325 313 H HIS 43 H HIS 43 -6.018 2.947 -5.389 314 HA HIS 43 HA HIS 43 -7.620 5.308 -6.123 315 HB2 HIS 43 1HB HIS 43 -7.713 4.666 -8.341 316 HB3 HIS 43 2HB HIS 43 -6.086 4.146 -7.914 317 HD1 HIS 43 1HD HIS 43 -6.833 1.486 -6.489 318 HD2 HIS 43 2HD HIS 43 -8.345 2.722 -10.156 319 HE1 HIS 43 1HE HIS 43 -7.564 -0.617 -7.658 320 HE2 HIS 43 2HE HIS 43 -8.397 0.148 -9.908 321 H THR 44 H THR 44 -9.858 4.980 -6.450 322 HA THR 44 HA THR 44 -10.915 2.727 -4.913 323 HB THR 44 HB THR 44 -11.969 4.555 -4.041 324 HG1 THR 44 1HG THR 44 -14.067 4.713 -5.006 325 HG21 THR 44 1HG2 THR 44 -10.944 6.273 -5.328 326 HG22 THR 44 2HG2 THR 44 -12.685 6.524 -5.453 327 HG23 THR 44 3HG2 THR 44 -11.803 5.783 -6.788 328 HA PRO 45 HA PRO 45 -12.524 0.602 -8.406 329 HB2 PRO 45 1HB PRO 45 -14.737 -0.538 -7.322 330 HB3 PRO 45 2HB PRO 45 -13.096 -1.084 -6.954 331 HG2 PRO 45 1HG PRO 45 -14.895 0.711 -5.372 332 HG3 PRO 45 2HG PRO 45 -13.858 -0.613 -4.808 333 HD2 PRO 45 1HD PRO 45 -13.141 1.990 -4.599 334 HD3 PRO 45 2HD PRO 45 -11.957 0.691 -4.851 335 H GLY 46 H GLY 46 -14.001 3.296 -7.107 336 HA2 GLY 46 1HA GLY 46 -15.837 3.443 -9.395 337 HA3 GLY 46 2HA GLY 46 -16.478 3.722 -7.783 338 H GLY 47 H GLY 47 -13.258 4.742 -8.642 339 HA2 GLY 47 1HA GLY 47 -14.141 7.473 -9.166 340 HA3 GLY 47 2HA GLY 47 -13.197 7.223 -7.705 341 H GLN 48 H GLN 48 -11.601 8.644 -8.575 342 HA GLN 48 HA GLN 48 -10.065 7.545 -10.825 343 HB2 GLN 48 1HB GLN 48 -10.601 9.773 -11.320 344 HB3 GLN 48 2HB GLN 48 -10.312 10.306 -9.669 345 HG2 GLN 48 1HG GLN 48 -7.977 10.197 -9.932 346 HG3 GLN 48 2HG GLN 48 -8.113 9.280 -11.432 347 HE21 GLN 48 1HE2 GLN 48 -7.275 10.542 -12.946 348 HE22 GLN 48 2HE2 GLN 48 -7.720 12.184 -13.246 349 H THR 49 H THR 49 -7.728 7.569 -10.688 350 HA THR 49 HA THR 49 -6.797 6.491 -8.220 351 HB THR 49 HB THR 49 -5.197 7.324 -10.648 352 HG1 THR 49 1HG THR 49 -6.963 5.546 -10.660 353 HG21 THR 49 1HG2 THR 49 -4.518 5.878 -8.127 354 HG22 THR 49 2HG2 THR 49 -3.574 7.057 -9.038 355 HG23 THR 49 3HG2 THR 49 -3.721 5.402 -9.626 356 H GLN 50 H GLN 50 -5.189 7.308 -6.831 357 HA GLN 50 HA GLN 50 -4.615 10.178 -7.064 358 HB2 GLN 50 1HB GLN 50 -6.483 9.913 -5.497 359 HB3 GLN 50 2HB GLN 50 -5.535 8.776 -4.549 360 HG2 GLN 50 1HG GLN 50 -4.131 10.423 -3.733 361 HG3 GLN 50 2HG GLN 50 -4.521 11.542 -5.038 362 HE21 GLN 50 1HE2 GLN 50 -6.714 12.423 -5.056 363 HE22 GLN 50 2HE2 GLN 50 -7.500 12.724 -3.547 364 H GLU 51 H GLU 51 -2.512 10.572 -6.932 365 HA GLU 51 HA GLU 51 -0.750 8.495 -5.865 366 HB2 GLU 51 1HB GLU 51 -0.219 10.928 -7.572 367 HB3 GLU 51 2HB GLU 51 1.056 9.899 -6.934 368 HG2 GLU 51 1HG GLU 51 -0.121 7.976 -8.102 369 HG3 GLU 51 2HG GLU 51 -1.063 9.208 -8.939 370 H ILE 52 H ILE 52 0.920 8.974 -4.377 371 HA ILE 52 HA ILE 52 0.827 11.545 -3.008 372 HB ILE 52 HB ILE 52 0.455 8.948 -1.511 373 HG12 ILE 52 1HG1 ILE 52 -1.489 11.242 -1.840 374 HG13 ILE 52 2HG1 ILE 52 -1.562 9.748 -2.769 375 HG21 ILE 52 1HG2 ILE 52 1.554 11.387 -0.681 376 HG22 ILE 52 2HG2 ILE 52 -0.074 11.335 -0.007 377 HG23 ILE 52 3HG2 ILE 52 1.062 10.029 0.331 378 HD11 ILE 52 1HD1 ILE 52 -2.697 8.762 -1.152 379 HD12 ILE 52 2HD1 ILE 52 -1.433 9.136 0.019 380 HD13 ILE 52 3HD1 ILE 52 -2.727 10.295 -0.282 381 H LEU 53 H LEU 53 2.862 12.200 -2.900 382 HA LEU 53 HA LEU 53 5.064 10.384 -3.141 383 HB2 LEU 53 1HB LEU 53 4.807 12.868 -3.923 384 HB3 LEU 53 2HB LEU 53 5.387 13.229 -2.298 385 HG LEU 53 HG LEU 53 7.144 13.246 -4.075 386 HD11 LEU 53 1HD1 LEU 53 7.860 13.023 -1.828 387 HD12 LEU 53 2HD1 LEU 53 8.741 11.813 -2.760 388 HD13 LEU 53 3HD1 LEU 53 7.367 11.331 -1.765 389 HD21 LEU 53 1HD2 LEU 53 7.669 11.442 -5.330 390 HD22 LEU 53 2HD2 LEU 53 5.979 11.029 -5.036 391 HD23 LEU 53 3HD2 LEU 53 7.250 10.296 -4.057 392 H LEU 54 H LEU 54 5.680 9.154 -1.491 393 HA LEU 54 HA LEU 54 5.343 10.085 1.247 394 HB2 LEU 54 1HB LEU 54 5.899 7.471 -0.059 395 HB3 LEU 54 2HB LEU 54 6.412 7.696 1.612 396 HG LEU 54 HG LEU 54 3.899 8.465 1.907 397 HD11 LEU 54 1HD1 LEU 54 2.400 7.131 0.508 398 HD12 LEU 54 2HD1 LEU 54 3.778 6.591 -0.451 399 HD13 LEU 54 3HD1 LEU 54 3.319 8.293 -0.448 400 HD21 LEU 54 1HD2 LEU 54 3.647 6.538 3.044 401 HD22 LEU 54 2HD2 LEU 54 5.350 6.312 2.644 402 HD23 LEU 54 3HD2 LEU 54 4.103 5.538 1.665 403 HA PRO 55 HA PRO 55 9.519 11.273 1.907 404 HB2 PRO 55 1HB PRO 55 9.835 10.611 4.520 405 HB3 PRO 55 2HB PRO 55 8.857 11.984 3.989 406 HG2 PRO 55 1HG PRO 55 7.984 9.236 4.794 407 HG3 PRO 55 2HG PRO 55 7.269 10.804 5.211 408 HD2 PRO 55 1HD PRO 55 6.253 9.208 3.273 409 HD3 PRO 55 2HD PRO 55 6.168 10.980 3.193 410 H GLY 56 H GLY 56 8.720 8.089 3.307 411 HA2 GLY 56 1HA GLY 56 9.822 6.090 2.564 412 HA3 GLY 56 2HA GLY 56 11.230 7.062 2.163 413 H GLY 57 H GLY 57 10.285 4.747 4.173 414 HA2 GLY 57 1HA GLY 57 11.664 3.935 5.923 415 HA3 GLY 57 2HA GLY 57 12.219 5.577 6.214 416 H ILE 58 H ILE 58 8.840 4.741 5.850 417 HA ILE 58 HA ILE 58 8.449 5.391 8.697 418 HB ILE 58 HB ILE 58 6.167 6.104 8.086 419 HG12 ILE 58 1HG1 ILE 58 7.055 5.903 5.209 420 HG13 ILE 58 2HG1 ILE 58 6.113 4.643 5.999 421 HG21 ILE 58 1HG2 ILE 58 6.773 8.221 7.268 422 HG22 ILE 58 2HG2 ILE 58 8.199 7.636 8.124 423 HG23 ILE 58 3HG2 ILE 58 8.140 7.573 6.363 424 HD11 ILE 58 1HD1 ILE 58 5.135 7.457 6.036 425 HD12 ILE 58 2HD1 ILE 58 4.927 6.467 4.591 426 HD13 ILE 58 3HD1 ILE 58 4.227 5.948 6.124 427 H THR 59 H THR 59 7.631 3.198 6.094 428 HA THR 59 HA THR 59 6.496 1.216 6.033 429 HB THR 59 HB THR 59 7.088 -0.392 7.722 430 HG1 THR 59 1HG THR 59 8.332 1.536 9.339 431 HG21 THR 59 1HG2 THR 59 9.646 0.529 8.031 432 HG22 THR 59 2HG2 THR 59 9.089 1.452 6.634 433 HG23 THR 59 3HG2 THR 59 9.038 -0.311 6.605 434 H SER 60 H SER 60 5.035 3.556 7.093 435 HA SER 60 HA SER 60 2.653 2.261 7.851 436 HB2 SER 60 1HB SER 60 2.654 3.553 10.184 437 HB3 SER 60 2HB SER 60 3.270 1.908 10.035 438 HG SER 60 HG SER 60 5.306 2.639 10.152 439 H HIS 61 H HIS 61 1.231 3.508 6.851 440 HA HIS 61 HA HIS 61 1.352 6.410 7.258 441 HB2 HIS 61 1HB HIS 61 2.280 5.460 4.957 442 HB3 HIS 61 2HB HIS 61 0.565 5.414 4.557 443 HD1 HIS 61 1HD HIS 61 0.682 7.305 2.851 444 HD2 HIS 61 2HD HIS 61 2.050 8.393 6.620 445 HE1 HIS 61 1HE HIS 61 0.921 9.807 2.783 446 HE2 HIS 61 2HE HIS 61 1.831 10.434 5.046 447 H GLN 62 H GLN 62 -0.543 7.219 7.870 448 HA GLN 62 HA GLN 62 -2.889 5.507 7.822 449 HB2 GLN 62 1HB GLN 62 -2.540 6.583 9.901 450 HB3 GLN 62 2HB GLN 62 -2.263 8.143 9.137 451 HG2 GLN 62 1HG GLN 62 -4.389 8.322 10.058 452 HG3 GLN 62 2HG GLN 62 -4.683 7.994 8.351 453 HE21 GLN 62 1HE2 GLN 62 -4.911 5.611 7.835 454 HE22 GLN 62 2HE2 GLN 62 -5.872 4.678 8.925 455 H LEU 63 H LEU 63 -3.954 5.483 5.940 456 HA LEU 63 HA LEU 63 -4.070 7.744 4.188 457 HB2 LEU 63 1HB LEU 63 -5.434 5.066 4.195 458 HB3 LEU 63 2HB LEU 63 -5.748 6.286 2.962 459 HG LEU 63 HG LEU 63 -3.062 5.023 3.510 460 HD11 LEU 63 1HD1 LEU 63 -4.519 3.363 2.595 461 HD12 LEU 63 2HD1 LEU 63 -3.451 3.924 1.310 462 HD13 LEU 63 3HD1 LEU 63 -5.120 4.488 1.377 463 HD21 LEU 63 1HD2 LEU 63 -3.786 7.400 2.152 464 HD22 LEU 63 2HD2 LEU 63 -3.310 6.213 0.938 465 HD23 LEU 63 3HD2 LEU 63 -2.202 6.629 2.246 466 H LEU 64 H LEU 64 -5.534 9.324 4.107 467 HA LEU 64 HA LEU 64 -7.913 9.086 5.825 468 HB2 LEU 64 1HB LEU 64 -6.620 11.616 4.827 469 HB3 LEU 64 2HB LEU 64 -7.905 11.477 6.024 470 HG LEU 64 HG LEU 64 -5.106 10.433 6.432 471 HD11 LEU 64 1HD1 LEU 64 -5.260 12.929 6.134 472 HD12 LEU 64 2HD1 LEU 64 -4.613 12.382 7.680 473 HD13 LEU 64 3HD1 LEU 64 -6.277 12.957 7.574 474 HD21 LEU 64 1HD2 LEU 64 -6.350 9.286 7.964 475 HD22 LEU 64 2HD2 LEU 64 -7.592 10.536 8.060 476 HD23 LEU 64 3HD2 LEU 64 -6.045 10.764 8.878 477 H GLY 65 H GLY 65 -9.807 10.428 5.062 478 HA2 GLY 65 1HA GLY 65 -11.380 10.956 3.469 479 HA3 GLY 65 2HA GLY 65 -10.064 11.095 2.312 480 H LEU 66 H LEU 66 -11.664 8.489 4.152 481 HA LEU 66 HA LEU 66 -11.694 6.909 1.665 482 HB2 LEU 66 1HB LEU 66 -11.692 5.914 4.511 483 HB3 LEU 66 2HB LEU 66 -11.686 4.913 3.060 484 HG LEU 66 HG LEU 66 -9.459 6.752 3.935 485 HD11 LEU 66 1HD1 LEU 66 -8.842 5.088 5.266 486 HD12 LEU 66 2HD1 LEU 66 -8.594 4.100 3.827 487 HD13 LEU 66 3HD1 LEU 66 -10.142 4.056 4.670 488 HD21 LEU 66 1HD2 LEU 66 -9.584 6.557 1.516 489 HD22 LEU 66 2HD2 LEU 66 -9.639 4.799 1.642 490 HD23 LEU 66 3HD2 LEU 66 -8.188 5.674 2.135 491 H PHE 67 H PHE 67 -13.445 4.987 2.139 492 HA PHE 67 HA PHE 67 -15.942 6.349 2.901 493 HB2 PHE 67 1HB PHE 67 -15.454 4.506 0.557 494 HB3 PHE 67 2HB PHE 67 -17.056 4.991 1.102 495 HD1 PHE 67 2HD PHE 67 -16.641 7.826 1.729 496 HD2 PHE 67 1HD PHE 67 -15.201 5.487 -1.523 497 HE1 PHE 67 2HE PHE 67 -16.499 9.851 0.339 498 HE2 PHE 67 1HE PHE 67 -15.056 7.509 -2.917 499 HZ PHE 67 HZ PHE 67 -15.707 9.695 -1.987 500 HA PRO 68 HA PRO 68 -16.726 2.950 5.573 501 HB2 PRO 68 1HB PRO 68 -19.440 2.996 5.620 502 HB3 PRO 68 2HB PRO 68 -18.445 4.205 6.439 503 HG2 PRO 68 1HG PRO 68 -19.833 4.371 3.792 504 HG3 PRO 68 2HG PRO 68 -19.725 5.588 5.077 505 HD2 PRO 68 1HD PRO 68 -18.168 5.667 2.863 506 HD3 PRO 68 2HD PRO 68 -17.611 6.254 4.443 507 H SER 69 H SER 69 -16.457 0.882 5.040 508 HA SER 69 HA SER 69 -16.756 -1.173 4.110 509 HB2 SER 69 1HB SER 69 -19.121 -0.824 4.820 510 HB3 SER 69 2HB SER 69 -19.458 -0.121 3.238 511 HG SER 69 HG SER 69 -19.633 -2.617 3.841 512 H THR 70 H THR 70 -15.476 0.905 2.619 513 HA THR 70 HA THR 70 -16.172 0.132 -0.140 514 HB THR 70 HB THR 70 -14.772 2.643 0.800 515 HG1 THR 70 1HG THR 70 -17.388 2.168 -0.228 516 HG21 THR 70 1HG2 THR 70 -14.256 3.130 -1.333 517 HG22 THR 70 2HG2 THR 70 -15.794 2.519 -1.941 518 HG23 THR 70 3HG2 THR 70 -14.466 1.404 -1.622 519 H SER 71 H SER 71 -14.777 -1.185 -1.092 520 HA SER 71 HA SER 71 -12.255 -1.825 0.074 521 HB2 SER 71 1HB SER 71 -13.559 -3.509 -1.139 522 HB3 SER 71 2HB SER 71 -13.403 -2.575 -2.627 523 HG SER 71 HG SER 71 -11.866 -4.308 -2.423 524 H TYR 72 H TYR 72 -10.196 -1.342 -0.614 525 HA TYR 72 HA TYR 72 -9.933 0.608 -2.797 526 HB2 TYR 72 1HB TYR 72 -8.901 0.826 0.016 527 HB3 TYR 72 2HB TYR 72 -8.076 1.642 -1.307 528 HD1 TYR 72 2HD TYR 72 -9.136 3.503 -2.476 529 HD2 TYR 72 1HD TYR 72 -11.080 1.562 0.773 530 HE1 TYR 72 2HE TYR 72 -10.714 5.381 -2.307 531 HE2 TYR 72 1HE TYR 72 -12.665 3.435 0.950 532 HH TYR 72 HH TYR 72 -12.968 5.655 0.338 533 H ASN 73 H ASN 73 -7.641 0.835 -3.534 534 HA ASN 73 HA ASN 73 -6.127 -1.663 -3.181 535 HB2 ASN 73 1HB ASN 73 -7.095 -0.388 -5.692 536 HB3 ASN 73 2HB ASN 73 -5.495 -1.124 -5.719 537 HD21 ASN 73 1HD2 ASN 73 -5.292 -3.343 -5.447 538 HD22 ASN 73 2HD2 ASN 73 -6.638 -4.414 -5.616 539 H ALA 74 H ALA 74 -4.427 -0.966 -2.021 540 HA ALA 74 HA ALA 74 -3.127 1.554 -2.716 541 HB1 ALA 74 1HB ALA 74 -3.597 1.091 -0.356 542 HB2 ALA 74 2HB ALA 74 -2.565 -0.338 -0.436 543 HB3 ALA 74 3HB ALA 74 -1.867 1.267 -0.657 544 H ARG 75 H ARG 75 -1.086 1.725 -3.531 545 HA ARG 75 HA ARG 75 0.401 -0.758 -4.039 546 HB2 ARG 75 1HB ARG 75 -0.977 0.267 -6.036 547 HB3 ARG 75 2HB ARG 75 0.373 1.392 -6.116 548 HG2 ARG 75 1HG ARG 75 1.894 -0.598 -6.266 549 HG3 ARG 75 2HG ARG 75 0.449 -1.595 -6.442 550 HD2 ARG 75 1HD ARG 75 0.777 0.769 -8.221 551 HD3 ARG 75 2HD ARG 75 1.749 -0.667 -8.542 552 HE ARG 75 HE ARG 75 -1.030 -1.261 -8.195 553 HH11 ARG 75 2HH1 ARG 75 1.371 -0.172 -10.468 554 HH12 ARG 75 1HH1 ARG 75 0.487 -0.707 -11.858 555 HH21 ARG 75 2HH2 ARG 75 -2.204 -1.970 -10.017 556 HH22 ARG 75 1HH2 ARG 75 -1.548 -1.729 -11.600 557 H LEU 76 H LEU 76 2.261 -0.566 -2.987 558 HA LEU 76 HA LEU 76 3.471 2.077 -2.656 559 HB2 LEU 76 1HB LEU 76 3.210 0.777 -0.643 560 HB3 LEU 76 2HB LEU 76 4.063 -0.583 -1.370 561 HG LEU 76 HG LEU 76 6.039 1.130 -1.528 562 HD11 LEU 76 1HD1 LEU 76 4.140 2.397 0.388 563 HD12 LEU 76 2HD1 LEU 76 5.195 3.141 -0.813 564 HD13 LEU 76 3HD1 LEU 76 5.875 2.510 0.687 565 HD21 LEU 76 1HD2 LEU 76 6.887 -0.272 -0.033 566 HD22 LEU 76 2HD2 LEU 76 5.260 -0.874 0.287 567 HD23 LEU 76 3HD2 LEU 76 5.915 0.452 1.249 568 H GLN 77 H GLN 77 5.088 2.713 -3.909 569 HA GLN 77 HA GLN 77 6.849 0.681 -5.097 570 HB2 GLN 77 1HB GLN 77 5.021 1.795 -6.636 571 HB3 GLN 77 2HB GLN 77 6.162 3.133 -6.661 572 HG2 GLN 77 1HG GLN 77 7.862 1.762 -7.616 573 HG3 GLN 77 2HG GLN 77 6.886 0.310 -7.397 574 HE21 GLN 77 1HE2 GLN 77 7.837 0.697 -9.830 575 HE22 GLN 77 2HE2 GLN 77 6.610 1.235 -10.920 576 H ALA 78 H ALA 78 8.958 1.089 -4.872 577 HA ALA 78 HA ALA 78 9.738 3.662 -3.708 578 HB1 ALA 78 1HB ALA 78 11.954 1.965 -3.705 579 HB2 ALA 78 2HB ALA 78 10.909 2.362 -2.340 580 HB3 ALA 78 3HB ALA 78 10.574 0.935 -3.321 581 H MET 79 H MET 79 11.273 4.984 -4.609 582 HA MET 79 HA MET 79 11.762 4.597 -7.444 583 HB2 MET 79 1HB MET 79 12.605 6.915 -5.700 584 HB3 MET 79 2HB MET 79 12.521 6.884 -7.456 585 HG2 MET 79 1HG MET 79 10.079 6.593 -7.304 586 HG3 MET 79 2HG MET 79 10.199 6.722 -5.551 587 HE1 MET 79 1HE MET 79 9.722 8.636 -4.387 588 HE2 MET 79 2HE MET 79 11.402 9.174 -4.426 589 HE3 MET 79 3HE MET 79 10.104 10.307 -4.805 590 H TRP 80 H TRP 80 13.534 3.660 -8.197 591 HA TRP 80 HA TRP 80 15.978 3.747 -6.550 592 HB2 TRP 80 1HB TRP 80 14.719 1.520 -8.093 593 HB3 TRP 80 2HB TRP 80 16.476 1.574 -7.978 594 HD1 TRP 80 HD TRP 80 17.531 1.377 -5.465 595 HE1 TRP 80 1HE TRP 80 16.614 0.202 -3.367 596 HE3 TRP 80 3HE TRP 80 12.633 0.930 -6.860 597 HZ2 TRP 80 2HZ TRP 80 14.141 -0.785 -2.428 598 HZ3 TRP 80 3HZ TRP 80 11.056 -0.143 -5.305 599 HH2 TRP 80 HH TRP 80 11.797 -0.982 -3.135 600 H GLY 81 H GLY 81 17.180 5.314 -7.465 601 HA2 GLY 81 1HA GLY 81 18.314 6.521 -9.062 602 HA3 GLY 81 2HA GLY 81 18.622 4.944 -9.774 603 H GLN 82 H GLN 82 17.641 4.398 -11.652 604 HA GLN 82 HA GLN 82 15.846 6.417 -12.818 605 HB2 GLN 82 1HB GLN 82 17.955 4.647 -13.972 606 HB3 GLN 82 2HB GLN 82 16.594 5.102 -14.989 607 HG2 GLN 82 1HG GLN 82 17.149 7.512 -14.269 608 HG3 GLN 82 2HG GLN 82 18.702 6.839 -13.777 609 HE21 GLN 82 1HE2 GLN 82 20.030 5.864 -15.379 610 HE22 GLN 82 2HE2 GLN 82 19.882 6.318 -17.039 611 H SER 83 H SER 83 16.324 2.973 -12.292 612 HA SER 83 HA SER 83 13.954 2.185 -13.696 613 HB2 SER 83 1HB SER 83 15.831 0.743 -11.826 614 HB3 SER 83 2HB SER 83 14.388 -0.026 -12.484 615 HG SER 83 HG SER 83 16.781 0.468 -13.673 616 H LEU 84 H LEU 84 12.184 0.974 -12.598 617 HA LEU 84 HA LEU 84 11.581 2.066 -9.934 618 HB2 LEU 84 1HB LEU 84 9.777 1.948 -12.340 619 HB3 LEU 84 2HB LEU 84 9.181 2.193 -10.699 620 HG LEU 84 HG LEU 84 11.072 4.038 -12.159 621 HD11 LEU 84 1HD1 LEU 84 8.175 4.491 -11.482 622 HD12 LEU 84 2HD1 LEU 84 8.733 3.933 -13.059 623 HD13 LEU 84 3HD1 LEU 84 9.234 5.513 -12.455 624 HD21 LEU 84 1HD2 LEU 84 10.253 3.800 -9.383 625 HD22 LEU 84 2HD2 LEU 84 9.885 5.386 -10.060 626 HD23 LEU 84 3HD2 LEU 84 11.537 4.770 -10.105 627 H LEU 85 H LEU 85 12.291 0.002 -9.144 628 HA LEU 85 HA LEU 85 11.616 -2.506 -9.786 629 HB2 LEU 85 1HB LEU 85 11.384 -1.397 -6.993 630 HB3 LEU 85 2HB LEU 85 11.614 -3.091 -7.421 631 HG LEU 85 HG LEU 85 13.587 -0.833 -7.716 632 HD11 LEU 85 1HD1 LEU 85 13.187 -2.068 -5.495 633 HD12 LEU 85 2HD1 LEU 85 14.842 -1.910 -6.084 634 HD13 LEU 85 3HD1 LEU 85 13.977 -3.434 -6.283 635 HD21 LEU 85 1HD2 LEU 85 13.628 -3.620 -8.840 636 HD22 LEU 85 2HD2 LEU 85 15.103 -2.699 -8.545 637 HD23 LEU 85 3HD2 LEU 85 13.895 -2.091 -9.679 638 HA PRO 86 HA PRO 86 7.260 -3.062 -9.782 639 HB2 PRO 86 1HB PRO 86 7.078 -5.660 -9.015 640 HB3 PRO 86 2HB PRO 86 7.655 -5.168 -10.612 641 HG2 PRO 86 1HG PRO 86 9.227 -5.969 -8.193 642 HG3 PRO 86 2HG PRO 86 9.477 -6.420 -9.890 643 HD2 PRO 86 1HD PRO 86 10.934 -4.495 -8.665 644 HD3 PRO 86 2HD PRO 86 10.534 -4.434 -10.393 645 HA PRO 87 HA PRO 87 6.355 -2.181 -5.463 646 HB2 PRO 87 1HB PRO 87 3.866 -1.206 -5.940 647 HB3 PRO 87 2HB PRO 87 5.335 -0.259 -6.202 648 HG2 PRO 87 1HG PRO 87 3.665 -1.752 -8.187 649 HG3 PRO 87 2HG PRO 87 4.392 -0.141 -8.325 650 HD2 PRO 87 1HD PRO 87 5.490 -2.338 -9.466 651 HD3 PRO 87 2HD PRO 87 6.469 -0.987 -8.859 652 H VAL 88 H VAL 88 3.835 -2.411 -4.462 653 HA VAL 88 HA VAL 88 2.960 -5.147 -5.078 654 HB VAL 88 HB VAL 88 2.596 -5.338 -2.502 655 HG11 VAL 88 1HG1 VAL 88 4.156 -6.654 -4.010 656 HG12 VAL 88 2HG1 VAL 88 5.428 -5.548 -3.488 657 HG13 VAL 88 3HG1 VAL 88 4.599 -6.562 -2.306 658 HG21 VAL 88 1HG2 VAL 88 5.076 -3.748 -2.245 659 HG22 VAL 88 2HG2 VAL 88 3.573 -2.846 -2.434 660 HG23 VAL 88 3HG2 VAL 88 3.755 -3.984 -1.100 661 H SER 89 H SER 89 0.813 -5.372 -5.191 662 HA SER 89 HA SER 89 -0.847 -3.129 -4.250 663 HB2 SER 89 1HB SER 89 -2.434 -3.693 -5.994 664 HB3 SER 89 2HB SER 89 -0.833 -3.526 -6.715 665 HG SER 89 HG SER 89 -1.891 -6.022 -5.899 666 H THR 90 H THR 90 -2.471 -3.492 -2.852 667 HA THR 90 HA THR 90 -3.288 -6.255 -2.304 668 HB THR 90 HB THR 90 -1.500 -5.335 -0.651 669 HG1 THR 90 1HG THR 90 -2.256 -6.927 0.517 670 HG21 THR 90 1HG2 THR 90 -3.066 -3.209 -0.413 671 HG22 THR 90 2HG2 THR 90 -2.112 -3.810 0.944 672 HG23 THR 90 3HG2 THR 90 -3.826 -4.209 0.824 673 H SER 91 H SER 91 -5.351 -6.461 -1.303 674 HA SER 91 HA SER 91 -7.045 -4.080 -1.668 675 HB2 SER 91 1HB SER 91 -8.916 -5.691 -1.993 676 HB3 SER 91 2HB SER 91 -7.642 -5.870 -3.199 677 HG SER 91 HG SER 91 -8.591 -7.795 -1.887 678 H PHE 92 H PHE 92 -8.229 -3.329 -0.010 679 HA PHE 92 HA PHE 92 -8.626 -4.997 2.355 680 HB2 PHE 92 1HB PHE 92 -7.810 -3.282 3.872 681 HB3 PHE 92 2HB PHE 92 -6.536 -3.723 2.740 682 HD1 PHE 92 1HD PHE 92 -5.794 -2.173 1.033 683 HD2 PHE 92 2HD PHE 92 -8.845 -1.106 3.802 684 HE1 PHE 92 1HE PHE 92 -5.528 0.192 0.409 685 HE2 PHE 92 2HE PHE 92 -8.585 1.261 3.182 686 HZ PHE 92 HZ PHE 92 -6.925 1.913 1.483 687 H THR 93 H THR 93 -10.536 -4.655 3.358 688 HA THR 93 HA THR 93 -12.271 -2.577 2.216 689 HB THR 93 HB THR 93 -13.097 -5.010 3.809 690 HG1 THR 93 1HG THR 93 -13.715 -5.813 1.713 691 HG21 THR 93 1HG2 THR 93 -15.292 -4.439 2.535 692 HG22 THR 93 2HG2 THR 93 -14.576 -2.834 2.379 693 HG23 THR 93 3HG2 THR 93 -14.867 -3.519 3.978 694 H THR 94 H THR 94 -13.205 -1.037 3.458 695 HA THR 94 HA THR 94 -12.174 -0.687 6.139 696 HB THR 94 HB THR 94 -13.255 1.493 6.094 697 HG1 THR 94 1HG THR 94 -14.803 1.959 4.699 698 HG21 THR 94 1HG2 THR 94 -11.761 2.446 4.670 699 HG22 THR 94 2HG2 THR 94 -12.186 1.376 3.334 700 HG23 THR 94 3HG2 THR 94 -11.125 0.803 4.621 701 H GLY 95 H GLY 95 -13.444 -0.429 8.016 702 HA2 GLY 95 1HA GLY 95 -15.581 -2.265 8.265 703 HA3 GLY 95 2HA GLY 95 -15.082 -1.098 9.481 704 H GLY 96 H GLY 96 -17.044 -0.343 10.121 705 HA2 GLY 96 1HA GLY 96 -18.510 1.233 8.121 706 HA3 GLY 96 2HA GLY 96 -19.394 0.057 9.083 707 H LEU 97 H LEU 97 -19.304 3.127 8.849 708 HA LEU 97 HA LEU 97 -18.384 4.220 11.249 709 HB2 LEU 97 1HB LEU 97 -20.729 5.095 9.569 710 HB3 LEU 97 2HB LEU 97 -19.926 6.071 10.798 711 HG LEU 97 HG LEU 97 -18.519 5.049 8.340 712 HD11 LEU 97 1HD1 LEU 97 -19.281 7.885 8.479 713 HD12 LEU 97 2HD1 LEU 97 -20.605 6.756 8.195 714 HD13 LEU 97 3HD1 LEU 97 -19.223 6.787 7.100 715 HD21 LEU 97 1HD2 LEU 97 -16.716 5.937 9.274 716 HD22 LEU 97 2HD2 LEU 97 -17.660 6.334 10.710 717 HD23 LEU 97 3HD2 LEU 97 -17.525 7.500 9.393 718 H ARG 98 H ARG 98 -18.897 3.230 13.126 719 HA ARG 98 HA ARG 98 -21.460 3.628 14.248 720 HB2 ARG 98 1HB ARG 98 -21.739 1.584 12.668 721 HB3 ARG 98 2HB ARG 98 -20.842 0.710 13.903 722 HG2 ARG 98 1HG ARG 98 -22.621 1.692 15.520 723 HG3 ARG 98 2HG ARG 98 -23.562 1.926 14.045 724 HD2 ARG 98 1HD ARG 98 -22.291 -0.723 14.501 725 HD3 ARG 98 2HD ARG 98 -23.711 -0.306 15.460 726 HE ARG 98 HE ARG 98 -24.382 0.265 12.855 727 HH11 ARG 98 2HH1 ARG 98 -23.354 -2.544 14.637 728 HH12 ARG 98 1HH1 ARG 98 -24.210 -3.660 13.625 729 HH21 ARG 98 2HH2 ARG 98 -25.513 -1.195 11.516 730 HH22 ARG 98 1HH2 ARG 98 -25.437 -2.892 11.850 731 H ILE 99 H ILE 99 -21.402 3.466 16.449 732 HA ILE 99 HA ILE 99 -18.797 2.816 17.610 733 HB ILE 99 HB ILE 99 -21.169 4.251 18.809 734 HG12 ILE 99 1HG1 ILE 99 -19.239 6.089 18.789 735 HG13 ILE 99 2HG1 ILE 99 -18.673 5.122 17.431 736 HG21 ILE 99 1HG2 ILE 99 -19.079 2.920 20.114 737 HG22 ILE 99 2HG2 ILE 99 -18.688 4.637 20.202 738 HG23 ILE 99 3HG2 ILE 99 -20.235 4.052 20.814 739 HD11 ILE 99 1HD1 ILE 99 -20.133 7.065 16.843 740 HD12 ILE 99 2HD1 ILE 99 -20.673 5.505 16.221 741 HD13 ILE 99 3HD1 ILE 99 -21.464 6.215 17.628 742 H SER 100 H SER 100 -18.466 0.998 18.699 743 HA SER 100 HA SER 100 -20.812 -0.537 19.603 744 HB2 SER 100 1HB SER 100 -19.642 -1.791 17.938 745 HB3 SER 100 2HB SER 100 -18.082 -1.451 18.686 746 HG SER 100 HG SER 100 -18.396 -3.261 19.695 747 H GLY 101 H GLY 101 -20.550 -1.811 21.568 748 HA2 GLY 101 1HA GLY 101 -19.521 -0.266 23.700 749 HA3 GLY 101 2HA GLY 101 -20.118 -1.915 23.821 750 HA PRO 102 HA PRO 102 -15.300 -1.508 23.844 751 HB2 PRO 102 1HB PRO 102 -14.782 -0.866 26.431 752 HB3 PRO 102 2HB PRO 102 -14.961 0.347 25.157 753 HG2 PRO 102 1HG PRO 102 -16.954 -0.569 27.194 754 HG3 PRO 102 2HG PRO 102 -16.591 1.078 26.645 755 HD2 PRO 102 1HD PRO 102 -18.730 -0.320 25.748 756 HD3 PRO 102 2HD PRO 102 -17.866 0.857 24.737 757 H SER 103 H SER 103 -14.666 -3.565 23.887 758 HA SER 103 HA SER 103 -15.606 -5.295 26.074 759 HB2 SER 103 1HB SER 103 -16.022 -5.810 23.530 760 HB3 SER 103 2HB SER 103 -14.352 -6.374 23.574 761 HG SER 103 HG SER 103 -16.371 -7.249 25.364 762 H SER 104 H SER 104 -13.908 -4.331 27.419 763 HA SER 104 HA SER 104 -11.164 -5.001 26.739 764 HB2 SER 104 1HB SER 104 -12.419 -3.538 29.064 765 HB3 SER 104 2HB SER 104 -10.699 -3.922 29.001 766 HG SER 104 HG SER 104 -11.016 -2.846 26.754 767 H GLY 105 H GLY 105 -9.840 -5.879 28.714 768 HA2 GLY 105 1HA GLY 105 -9.560 -7.490 30.383 769 HA3 GLY 105 2HA GLY 105 -11.272 -7.871 30.271 Start of MODEL 19 1 H1 GLY 1 H GLY 1 15.816 -17.121 -17.408 2 HA2 GLY 1 1HA GLY 1 16.047 -14.836 -16.719 3 HA3 GLY 1 2HA GLY 1 15.326 -15.268 -15.175 4 H SER 2 H SER 2 17.733 -13.807 -15.491 5 HA SER 2 HA SER 2 19.709 -15.739 -14.465 6 HB2 SER 2 1HB SER 2 20.513 -14.761 -16.520 7 HB3 SER 2 2HB SER 2 20.140 -13.136 -15.946 8 HG SER 2 HG SER 2 21.727 -13.440 -14.320 9 H SER 3 H SER 3 19.645 -15.646 -12.311 10 HA SER 3 HA SER 3 19.457 -13.007 -11.022 11 HB2 SER 3 1HB SER 3 18.599 -15.754 -10.186 12 HB3 SER 3 2HB SER 3 18.971 -14.550 -8.953 13 HG SER 3 HG SER 3 17.475 -13.210 -10.446 14 H GLY 4 H GLY 4 21.106 -12.250 -9.839 15 HA2 GLY 4 1HA GLY 4 23.235 -14.126 -9.045 16 HA3 GLY 4 2HA GLY 4 23.641 -12.658 -9.922 17 H SER 5 H SER 5 25.004 -12.252 -8.024 18 HA SER 5 HA SER 5 23.804 -11.732 -5.487 19 HB2 SER 5 1HB SER 5 26.309 -12.270 -6.143 20 HB3 SER 5 2HB SER 5 26.425 -10.514 -6.255 21 HG SER 5 HG SER 5 25.234 -11.658 -3.991 22 H SER 6 H SER 6 22.298 -10.173 -5.394 23 HA SER 6 HA SER 6 22.942 -7.556 -6.583 24 HB2 SER 6 1HB SER 6 20.358 -9.016 -6.185 25 HB3 SER 6 2HB SER 6 20.353 -7.253 -6.205 26 HG SER 6 HG SER 6 21.748 -8.551 -8.236 27 H GLY 7 H GLY 7 21.487 -9.122 -3.747 28 HA2 GLY 7 1HA GLY 7 21.773 -8.509 -1.514 29 HA3 GLY 7 2HA GLY 7 22.585 -7.044 -2.046 30 H LEU 8 H LEU 8 20.757 -5.827 -3.626 31 HA LEU 8 HA LEU 8 18.993 -4.675 -1.744 32 HB2 LEU 8 1HB LEU 8 19.506 -3.172 -3.370 33 HB3 LEU 8 2HB LEU 8 19.522 -4.392 -4.643 34 HG LEU 8 HG LEU 8 17.013 -4.397 -4.538 35 HD11 LEU 8 1HD1 LEU 8 17.502 -2.797 -2.258 36 HD12 LEU 8 2HD1 LEU 8 15.953 -3.301 -2.932 37 HD13 LEU 8 3HD1 LEU 8 16.690 -1.787 -3.454 38 HD21 LEU 8 1HD2 LEU 8 18.637 -2.032 -5.379 39 HD22 LEU 8 2HD2 LEU 8 16.884 -2.018 -5.577 40 HD23 LEU 8 3HD2 LEU 8 17.852 -3.263 -6.368 41 H GLU 9 H GLU 9 16.794 -4.856 -1.465 42 HA GLU 9 HA GLU 9 15.356 -6.849 -3.055 43 HB2 GLU 9 1HB GLU 9 15.659 -6.886 -0.055 44 HB3 GLU 9 2HB GLU 9 14.351 -7.721 -0.882 45 HG2 GLU 9 1HG GLU 9 17.256 -8.209 -1.475 46 HG3 GLU 9 2HG GLU 9 16.336 -9.128 -0.284 47 H ALA 10 H ALA 10 13.020 -6.716 -2.817 48 HA ALA 10 HA ALA 10 12.178 -3.954 -2.379 49 HB1 ALA 10 1HB ALA 10 11.508 -5.933 -4.268 50 HB2 ALA 10 2HB ALA 10 10.056 -5.624 -3.316 51 HB3 ALA 10 3HB ALA 10 10.871 -4.293 -4.138 52 HA PRO 11 HA PRO 11 9.857 -4.638 1.280 53 HB2 PRO 11 1HB PRO 11 7.521 -3.339 0.804 54 HB3 PRO 11 2HB PRO 11 9.049 -2.496 1.085 55 HG2 PRO 11 1HG PRO 11 7.673 -3.111 -1.501 56 HG3 PRO 11 2HG PRO 11 8.475 -1.615 -0.989 57 HD2 PRO 11 1HD PRO 11 9.660 -3.417 -2.627 58 HD3 PRO 11 2HD PRO 11 10.577 -2.429 -1.472 59 H ARG 12 H ARG 12 8.094 -5.761 2.248 60 HA ARG 12 HA ARG 12 6.229 -7.180 0.543 61 HB2 ARG 12 1HB ARG 12 6.878 -9.390 1.206 62 HB3 ARG 12 2HB ARG 12 8.301 -8.581 0.565 63 HG2 ARG 12 1HG ARG 12 7.797 -8.522 3.500 64 HG3 ARG 12 2HG ARG 12 8.441 -9.988 2.757 65 HD2 ARG 12 1HD ARG 12 9.643 -7.229 2.549 66 HD3 ARG 12 2HD ARG 12 10.224 -8.527 3.591 67 HE ARG 12 HE ARG 12 10.101 -9.264 0.822 68 HH11 ARG 12 2HH1 ARG 12 12.022 -7.710 3.274 69 HH12 ARG 12 1HH1 ARG 12 13.525 -7.991 2.460 70 HH21 ARG 12 2HH2 ARG 12 12.074 -9.641 -0.260 71 HH22 ARG 12 1HH2 ARG 12 13.553 -9.089 0.449 72 H ASP 13 H ASP 13 5.035 -8.880 2.123 73 HA ASP 13 HA ASP 13 3.566 -9.114 3.844 74 HB2 ASP 13 1HB ASP 13 5.566 -7.425 5.364 75 HB3 ASP 13 2HB ASP 13 4.283 -8.400 6.077 76 H LEU 14 H LEU 14 3.257 -6.925 1.977 77 HA LEU 14 HA LEU 14 2.385 -4.608 3.415 78 HB2 LEU 14 1HB LEU 14 3.119 -4.208 1.227 79 HB3 LEU 14 2HB LEU 14 2.151 -5.527 0.570 80 HG LEU 14 HG LEU 14 0.131 -4.062 1.302 81 HD11 LEU 14 1HD1 LEU 14 0.459 -1.774 1.530 82 HD12 LEU 14 2HD1 LEU 14 2.096 -1.842 0.878 83 HD13 LEU 14 3HD1 LEU 14 1.763 -2.469 2.493 84 HD21 LEU 14 1HD2 LEU 14 -0.095 -3.730 -0.888 85 HD22 LEU 14 2HD2 LEU 14 1.514 -4.431 -1.069 86 HD23 LEU 14 3HD2 LEU 14 1.322 -2.681 -0.951 87 H GLU 15 H GLU 15 0.769 -5.002 4.842 88 HA GLU 15 HA GLU 15 -1.747 -6.046 3.722 89 HB2 GLU 15 1HB GLU 15 -0.656 -7.680 5.254 90 HB3 GLU 15 2HB GLU 15 -0.752 -6.488 6.542 91 HG2 GLU 15 1HG GLU 15 -3.044 -6.669 6.724 92 HG3 GLU 15 2HG GLU 15 -3.226 -7.313 5.093 93 H ALA 16 H ALA 16 -3.657 -5.421 5.169 94 HA ALA 16 HA ALA 16 -3.471 -2.550 5.648 95 HB1 ALA 16 1HB ALA 16 -5.913 -2.596 5.687 96 HB2 ALA 16 2HB ALA 16 -5.282 -3.362 4.229 97 HB3 ALA 16 3HB ALA 16 -5.886 -4.355 5.556 98 H LYS 17 H LYS 17 -3.802 -1.575 7.592 99 HA LYS 17 HA LYS 17 -4.393 -3.292 9.904 100 HB2 LYS 17 1HB LYS 17 -2.256 -1.155 9.811 101 HB3 LYS 17 2HB LYS 17 -2.695 -2.111 11.220 102 HG2 LYS 17 1HG LYS 17 -1.870 -3.559 8.765 103 HG3 LYS 17 2HG LYS 17 -0.626 -2.724 9.700 104 HD2 LYS 17 1HD LYS 17 -0.853 -4.113 11.499 105 HD3 LYS 17 2HD LYS 17 -2.560 -4.426 11.179 106 HE2 LYS 17 1HE LYS 17 -0.369 -5.465 9.403 107 HE3 LYS 17 2HE LYS 17 -0.941 -6.355 10.812 108 HZ1 LYS 17 1HZ LYS 17 -3.247 -5.846 9.633 109 HZ2 LYS 17 2HZ LYS 17 -2.330 -7.222 9.279 110 HZ3 LYS 17 3HZ LYS 17 -2.258 -5.874 8.260 111 H GLU 18 H GLU 18 -5.078 -2.044 11.833 112 HA GLU 18 HA GLU 18 -6.841 -0.771 12.622 113 HB2 GLU 18 1HB GLU 18 -4.942 1.340 11.583 114 HB3 GLU 18 2HB GLU 18 -6.187 1.592 12.799 115 HG2 GLU 18 1HG GLU 18 -3.711 -0.093 13.032 116 HG3 GLU 18 2HG GLU 18 -4.104 1.379 13.918 117 H VAL 19 H VAL 19 -7.796 -1.694 10.336 118 HA VAL 19 HA VAL 19 -8.480 0.338 8.441 119 HB VAL 19 HB VAL 19 -9.707 -2.393 8.850 120 HG11 VAL 19 1HG1 VAL 19 -9.942 -1.633 6.184 121 HG12 VAL 19 2HG1 VAL 19 -11.236 -1.714 7.381 122 HG13 VAL 19 3HG1 VAL 19 -10.384 -0.194 7.103 123 HG21 VAL 19 1HG2 VAL 19 -7.450 -1.434 7.103 124 HG22 VAL 19 2HG2 VAL 19 -7.398 -2.674 8.356 125 HG23 VAL 19 3HG2 VAL 19 -8.281 -2.970 6.858 126 H THR 20 H THR 20 -10.050 1.793 8.573 127 HA THR 20 HA THR 20 -12.425 1.215 10.190 128 HB THR 20 HB THR 20 -12.214 3.799 10.808 129 HG1 THR 20 1HG THR 20 -9.503 3.026 10.986 130 HG21 THR 20 1HG2 THR 20 -10.572 2.592 12.737 131 HG22 THR 20 2HG2 THR 20 -11.617 1.311 12.124 132 HG23 THR 20 3HG2 THR 20 -12.324 2.783 12.788 133 HA PRO 21 HA PRO 21 -14.707 3.072 6.933 134 HB2 PRO 21 1HB PRO 21 -16.702 4.340 8.269 135 HB3 PRO 21 2HB PRO 21 -16.614 2.581 8.118 136 HG2 PRO 21 1HG PRO 21 -15.798 4.327 10.408 137 HG3 PRO 21 2HG PRO 21 -16.673 2.785 10.433 138 HD2 PRO 21 1HD PRO 21 -14.026 2.967 10.974 139 HD3 PRO 21 2HD PRO 21 -14.746 1.544 10.194 140 H ARG 22 H ARG 22 -13.054 4.971 9.187 141 HA ARG 22 HA ARG 22 -13.613 7.424 7.652 142 HB2 ARG 22 1HB ARG 22 -12.916 6.995 10.544 143 HB3 ARG 22 2HB ARG 22 -12.619 8.543 9.765 144 HG2 ARG 22 1HG ARG 22 -15.316 7.229 9.739 145 HG3 ARG 22 2HG ARG 22 -14.791 8.296 11.042 146 HD2 ARG 22 1HD ARG 22 -14.609 10.145 9.591 147 HD3 ARG 22 2HD ARG 22 -14.700 9.124 8.156 148 HE ARG 22 HE ARG 22 -17.056 8.936 9.751 149 HH11 ARG 22 2HH1 ARG 22 -15.418 10.907 7.395 150 HH12 ARG 22 1HH1 ARG 22 -16.875 11.616 6.783 151 HH21 ARG 22 2HH2 ARG 22 -18.982 9.862 8.954 152 HH22 ARG 22 1HH2 ARG 22 -18.902 11.021 7.671 153 H THR 23 H THR 23 -11.175 5.258 8.863 154 HA THR 23 HA THR 23 -9.212 6.486 7.108 155 HB THR 23 HB THR 23 -7.469 6.575 8.857 156 HG1 THR 23 1HG THR 23 -8.686 5.074 10.285 157 HG21 THR 23 1HG2 THR 23 -9.808 8.244 9.747 158 HG22 THR 23 2HG2 THR 23 -8.964 8.549 8.229 159 HG23 THR 23 3HG2 THR 23 -8.095 8.658 9.759 160 H ALA 24 H ALA 24 -7.125 5.167 7.144 161 HA ALA 24 HA ALA 24 -7.306 2.446 8.043 162 HB1 ALA 24 1HB ALA 24 -8.728 2.249 6.105 163 HB2 ALA 24 2HB ALA 24 -7.506 3.017 5.090 164 HB3 ALA 24 3HB ALA 24 -7.197 1.430 5.794 165 H LEU 25 H LEU 25 -5.310 1.956 8.646 166 HA LEU 25 HA LEU 25 -3.056 3.364 7.437 167 HB2 LEU 25 1HB LEU 25 -3.095 3.404 9.820 168 HB3 LEU 25 2HB LEU 25 -3.323 1.658 9.901 169 HG LEU 25 HG LEU 25 -0.961 1.692 8.669 170 HD11 LEU 25 1HD1 LEU 25 0.141 3.634 10.259 171 HD12 LEU 25 2HD1 LEU 25 -1.332 4.404 9.671 172 HD13 LEU 25 3HD1 LEU 25 -0.153 3.767 8.525 173 HD21 LEU 25 1HD2 LEU 25 0.057 1.589 10.989 174 HD22 LEU 25 2HD2 LEU 25 -1.266 0.471 10.660 175 HD23 LEU 25 3HD2 LEU 25 -1.560 1.931 11.605 176 H LEU 26 H LEU 26 -1.284 2.322 6.523 177 HA LEU 26 HA LEU 26 -1.675 -0.529 5.891 178 HB2 LEU 26 1HB LEU 26 -1.034 1.783 4.148 179 HB3 LEU 26 2HB LEU 26 -0.236 0.253 3.791 180 HG LEU 26 HG LEU 26 -3.208 0.324 4.092 181 HD11 LEU 26 1HD1 LEU 26 -3.377 1.829 2.453 182 HD12 LEU 26 2HD1 LEU 26 -2.806 0.544 1.390 183 HD13 LEU 26 3HD1 LEU 26 -1.665 1.716 2.047 184 HD21 LEU 26 1HD2 LEU 26 -1.528 -1.250 2.167 185 HD22 LEU 26 2HD2 LEU 26 -3.152 -1.597 2.760 186 HD23 LEU 26 3HD2 LEU 26 -1.764 -1.773 3.834 187 H THR 27 H THR 27 -0.112 -1.775 6.652 188 HA THR 27 HA THR 27 2.499 -0.565 7.254 189 HB THR 27 HB THR 27 2.861 -2.507 8.749 190 HG1 THR 27 1HG THR 27 1.544 -4.151 8.626 191 HG21 THR 27 1HG2 THR 27 0.306 -0.983 9.272 192 HG22 THR 27 2HG2 THR 27 1.938 -0.440 9.664 193 HG23 THR 27 3HG2 THR 27 1.254 -1.844 10.484 194 H TRP 28 H TRP 28 4.327 -1.292 6.318 195 HA TRP 28 HA TRP 28 4.247 -3.786 4.785 196 HB2 TRP 28 1HB TRP 28 5.177 -2.782 2.815 197 HB3 TRP 28 2HB TRP 28 3.750 -1.852 3.260 198 HD1 TRP 28 HD TRP 28 7.590 -1.616 3.821 199 HE1 TRP 28 1HE TRP 28 8.245 0.872 3.734 200 HE3 TRP 28 3HE TRP 28 2.944 0.425 3.200 201 HZ2 TRP 28 2HZ TRP 28 6.961 3.369 3.442 202 HZ3 TRP 28 3HZ TRP 28 2.744 2.871 3.026 203 HH2 TRP 28 HH TRP 28 4.712 4.311 3.146 204 H THR 29 H THR 29 6.276 -4.764 4.453 205 HA THR 29 HA THR 29 8.250 -4.026 6.454 206 HB THR 29 HB THR 29 7.951 -6.435 4.666 207 HG1 THR 29 1HG THR 29 8.029 -7.317 6.983 208 HG21 THR 29 1HG2 THR 29 10.371 -5.381 5.772 209 HG22 THR 29 2HG2 THR 29 10.131 -6.859 4.839 210 HG23 THR 29 3HG2 THR 29 9.965 -6.887 6.594 211 H GLU 30 H GLU 30 9.613 -2.454 5.856 212 HA GLU 30 HA GLU 30 10.452 -2.106 3.128 213 HB2 GLU 30 1HB GLU 30 11.401 -0.113 3.811 214 HB3 GLU 30 2HB GLU 30 10.120 -0.312 4.998 215 HG2 GLU 30 1HG GLU 30 13.066 -0.730 5.337 216 HG3 GLU 30 2HG GLU 30 11.992 0.349 6.226 217 HA PRO 31 HA PRO 31 14.030 -4.664 3.173 218 HB2 PRO 31 1HB PRO 31 15.485 -3.425 1.244 219 HB3 PRO 31 2HB PRO 31 14.060 -4.409 0.890 220 HG2 PRO 31 1HG PRO 31 14.304 -1.432 1.094 221 HG3 PRO 31 2HG PRO 31 13.425 -2.403 -0.101 222 HD2 PRO 31 1HD PRO 31 12.193 -1.198 1.987 223 HD3 PRO 31 2HD PRO 31 11.629 -2.737 1.304 224 HA PRO 32 HA PRO 32 17.259 -2.892 5.575 225 HB2 PRO 32 1HB PRO 32 19.492 -4.049 4.553 226 HB3 PRO 32 2HB PRO 32 18.310 -4.934 5.525 227 HG2 PRO 32 1HG PRO 32 18.629 -4.844 2.549 228 HG3 PRO 32 2HG PRO 32 18.308 -6.237 3.598 229 HD2 PRO 32 1HD PRO 32 16.360 -5.003 2.179 230 HD3 PRO 32 2HD PRO 32 16.059 -5.760 3.757 231 H VAL 33 H VAL 33 16.854 -2.046 2.403 232 HA VAL 33 HA VAL 33 19.064 -0.096 2.514 233 HB VAL 33 HB VAL 33 17.824 -1.383 0.078 234 HG11 VAL 33 1HG1 VAL 33 20.056 0.072 -0.707 235 HG12 VAL 33 2HG1 VAL 33 18.366 0.480 -1.015 236 HG13 VAL 33 3HG1 VAL 33 19.193 1.146 0.394 237 HG21 VAL 33 1HG2 VAL 33 20.053 -2.281 -0.304 238 HG22 VAL 33 2HG2 VAL 33 20.641 -1.486 1.157 239 HG23 VAL 33 3HG2 VAL 33 19.448 -2.780 1.276 240 H ARG 34 H ARG 34 18.265 1.830 3.033 241 HA ARG 34 HA ARG 34 15.570 2.592 2.747 242 HB2 ARG 34 1HB ARG 34 17.373 3.552 4.312 243 HB3 ARG 34 2HB ARG 34 17.854 4.542 2.941 244 HG2 ARG 34 1HG ARG 34 15.784 5.672 2.903 245 HG3 ARG 34 2HG ARG 34 15.043 4.502 3.996 246 HD2 ARG 34 1HD ARG 34 15.473 6.248 5.430 247 HD3 ARG 34 2HD ARG 34 16.927 5.272 5.631 248 HE ARG 34 HE ARG 34 17.601 6.992 3.654 249 HH11 ARG 34 2HH1 ARG 34 16.269 7.406 6.844 250 HH12 ARG 34 1HH1 ARG 34 16.999 8.958 7.088 251 HH21 ARG 34 2HH2 ARG 34 18.567 9.035 3.964 252 HH22 ARG 34 1HH2 ARG 34 18.305 9.884 5.450 253 HA PRO 35 HA PRO 35 15.782 3.430 -1.654 254 HB2 PRO 35 1HB PRO 35 13.126 3.919 -1.930 255 HB3 PRO 35 2HB PRO 35 13.797 2.287 -1.830 256 HG2 PRO 35 1HG PRO 35 12.505 3.938 0.307 257 HG3 PRO 35 2HG PRO 35 12.292 2.216 -0.058 258 HD2 PRO 35 1HD PRO 35 13.873 3.093 1.958 259 HD3 PRO 35 2HD PRO 35 14.227 1.615 1.040 260 H ALA 36 H ALA 36 15.462 5.269 -2.990 261 HA ALA 36 HA ALA 36 16.023 7.737 -1.815 262 HB1 ALA 36 1HB ALA 36 16.365 8.395 -3.918 263 HB2 ALA 36 2HB ALA 36 15.975 6.738 -4.382 264 HB3 ALA 36 3HB ALA 36 14.721 7.979 -4.404 265 H GLY 37 H GLY 37 12.957 6.566 -3.215 266 HA2 GLY 37 1HA GLY 37 11.496 8.249 -1.336 267 HA3 GLY 37 2HA GLY 37 11.265 8.608 -3.040 268 H TYR 38 H TYR 38 9.091 7.949 -1.588 269 HA TYR 38 HA TYR 38 8.495 5.208 -2.491 270 HB2 TYR 38 1HB TYR 38 7.905 6.565 0.094 271 HB3 TYR 38 2HB TYR 38 6.692 5.462 -0.545 272 HD1 TYR 38 2HD TYR 38 7.926 3.196 -1.539 273 HD2 TYR 38 1HD TYR 38 9.278 5.628 1.680 274 HE1 TYR 38 2HE TYR 38 9.179 1.285 -0.629 275 HE2 TYR 38 1HE TYR 38 10.536 3.724 2.598 276 HH TYR 38 HH TYR 38 10.658 1.382 2.508 277 H LEU 39 H LEU 39 6.460 4.834 -3.383 278 HA LEU 39 HA LEU 39 4.796 7.206 -3.882 279 HB2 LEU 39 1HB LEU 39 6.115 6.852 -5.866 280 HB3 LEU 39 2HB LEU 39 5.677 5.146 -5.897 281 HG LEU 39 HG LEU 39 3.284 5.913 -6.257 282 HD11 LEU 39 1HD1 LEU 39 4.470 8.482 -7.212 283 HD12 LEU 39 2HD1 LEU 39 3.968 8.311 -5.530 284 HD13 LEU 39 3HD1 LEU 39 2.794 8.093 -6.827 285 HD21 LEU 39 1HD2 LEU 39 3.639 5.467 -8.410 286 HD22 LEU 39 2HD2 LEU 39 5.358 5.418 -8.017 287 HD23 LEU 39 3HD2 LEU 39 4.634 6.908 -8.625 288 H LEU 40 H LEU 40 3.091 6.692 -2.615 289 HA LEU 40 HA LEU 40 1.968 3.998 -2.742 290 HB2 LEU 40 1HB LEU 40 2.348 5.172 -0.561 291 HB3 LEU 40 2HB LEU 40 1.092 6.316 -1.029 292 HG LEU 40 HG LEU 40 -0.415 4.222 -1.226 293 HD11 LEU 40 1HD1 LEU 40 0.191 2.363 0.170 294 HD12 LEU 40 2HD1 LEU 40 1.699 3.150 0.635 295 HD13 LEU 40 3HD1 LEU 40 1.460 2.615 -1.029 296 HD21 LEU 40 1HD2 LEU 40 -0.121 4.373 1.574 297 HD22 LEU 40 2HD2 LEU 40 -1.284 5.221 0.553 298 HD23 LEU 40 3HD2 LEU 40 0.270 5.967 0.928 299 H SER 41 H SER 41 0.608 3.651 -4.371 300 HA SER 41 HA SER 41 -1.191 5.817 -5.209 301 HB2 SER 41 1HB SER 41 -0.352 3.284 -6.637 302 HB3 SER 41 2HB SER 41 -1.520 4.445 -7.269 303 HG SER 41 HG SER 41 1.251 4.712 -6.916 304 H PHE 42 H PHE 42 -3.096 5.745 -4.218 305 HA PHE 42 HA PHE 42 -4.370 3.115 -3.833 306 HB2 PHE 42 1HB PHE 42 -5.293 3.813 -1.809 307 HB3 PHE 42 2HB PHE 42 -3.691 4.542 -1.770 308 HD1 PHE 42 2HD PHE 42 -3.449 6.969 -2.364 309 HD2 PHE 42 1HD PHE 42 -7.231 5.128 -1.711 310 HE1 PHE 42 2HE PHE 42 -4.465 9.184 -2.024 311 HE2 PHE 42 1HE PHE 42 -8.253 7.340 -1.372 312 HZ PHE 42 HZ PHE 42 -6.869 9.372 -1.527 313 H HIS 43 H HIS 43 -6.295 2.785 -4.761 314 HA HIS 43 HA HIS 43 -7.994 5.029 -5.488 315 HB2 HIS 43 1HB HIS 43 -7.951 4.765 -7.773 316 HB3 HIS 43 2HB HIS 43 -6.282 4.357 -7.388 317 HD1 HIS 43 1HD HIS 43 -6.198 1.529 -6.771 318 HD2 HIS 43 2HD HIS 43 -8.900 2.997 -9.564 319 HE1 HIS 43 1HE HIS 43 -6.821 -0.442 -8.204 320 HE2 HIS 43 2HE HIS 43 -8.392 0.489 -9.939 321 H THR 44 H THR 44 -10.150 4.389 -6.078 322 HA THR 44 HA THR 44 -10.914 1.881 -4.793 323 HB THR 44 HB THR 44 -12.983 2.780 -4.386 324 HG1 THR 44 1HG THR 44 -14.064 4.083 -5.797 325 HG21 THR 44 1HG2 THR 44 -11.669 5.436 -4.824 326 HG22 THR 44 2HG2 THR 44 -11.040 4.327 -3.605 327 HG23 THR 44 3HG2 THR 44 -12.702 4.905 -3.498 328 HA PRO 45 HA PRO 45 -11.874 -0.261 -8.506 329 HB2 PRO 45 1HB PRO 45 -13.987 -1.765 -7.704 330 HB3 PRO 45 2HB PRO 45 -12.328 -2.088 -7.189 331 HG2 PRO 45 1HG PRO 45 -14.518 -0.659 -5.733 332 HG3 PRO 45 2HG PRO 45 -13.356 -1.848 -5.117 333 HD2 PRO 45 1HD PRO 45 -13.057 0.815 -4.732 334 HD3 PRO 45 2HD PRO 45 -11.675 -0.285 -4.910 335 H GLY 46 H GLY 46 -12.566 1.773 -9.563 336 HA2 GLY 46 1HA GLY 46 -14.400 2.001 -11.247 337 HA3 GLY 46 2HA GLY 46 -15.503 1.872 -9.885 338 H GLY 47 H GLY 47 -12.998 3.557 -8.683 339 HA2 GLY 47 1HA GLY 47 -14.272 6.129 -9.376 340 HA3 GLY 47 2HA GLY 47 -13.498 5.786 -7.836 341 H GLN 48 H GLN 48 -12.501 7.931 -8.532 342 HA GLN 48 HA GLN 48 -10.522 7.881 -10.591 343 HB2 GLN 48 1HB GLN 48 -11.796 9.891 -9.416 344 HB3 GLN 48 2HB GLN 48 -10.386 9.860 -8.366 345 HG2 GLN 48 1HG GLN 48 -8.925 10.368 -10.121 346 HG3 GLN 48 2HG GLN 48 -10.125 9.967 -11.349 347 HE21 GLN 48 1HE2 GLN 48 -9.773 12.143 -8.564 348 HE22 GLN 48 2HE2 GLN 48 -10.456 13.526 -9.343 349 H THR 49 H THR 49 -8.201 8.550 -10.007 350 HA THR 49 HA THR 49 -7.267 6.877 -7.766 351 HB THR 49 HB THR 49 -5.763 7.362 -10.341 352 HG1 THR 49 1HG THR 49 -6.588 5.500 -11.076 353 HG21 THR 49 1HG2 THR 49 -5.113 6.129 -7.786 354 HG22 THR 49 2HG2 THR 49 -4.051 6.609 -9.110 355 HG23 THR 49 3HG2 THR 49 -4.855 5.040 -9.148 356 H GLN 50 H GLN 50 -5.843 7.751 -6.364 357 HA GLN 50 HA GLN 50 -4.820 10.445 -6.976 358 HB2 GLN 50 1HB GLN 50 -6.600 10.427 -5.239 359 HB3 GLN 50 2HB GLN 50 -5.591 9.372 -4.258 360 HG2 GLN 50 1HG GLN 50 -3.987 11.056 -3.909 361 HG3 GLN 50 2HG GLN 50 -4.666 12.072 -5.180 362 HE21 GLN 50 1HE2 GLN 50 -4.742 13.762 -3.616 363 HE22 GLN 50 2HE2 GLN 50 -6.028 13.830 -2.464 364 H GLU 51 H GLU 51 -2.700 10.860 -6.597 365 HA GLU 51 HA GLU 51 -1.077 8.601 -5.629 366 HB2 GLU 51 1HB GLU 51 -0.500 10.762 -7.645 367 HB3 GLU 51 2HB GLU 51 0.787 9.816 -6.909 368 HG2 GLU 51 1HG GLU 51 -0.171 7.774 -7.796 369 HG3 GLU 51 2HG GLU 51 -1.517 8.683 -8.481 370 H ILE 52 H ILE 52 0.052 8.855 -3.818 371 HA ILE 52 HA ILE 52 0.389 11.587 -2.764 372 HB ILE 52 HB ILE 52 0.238 9.012 -1.192 373 HG12 ILE 52 1HG1 ILE 52 -1.794 11.244 -1.390 374 HG13 ILE 52 2HG1 ILE 52 -1.915 9.715 -2.255 375 HG21 ILE 52 1HG2 ILE 52 0.783 10.157 0.657 376 HG22 ILE 52 2HG2 ILE 52 1.476 11.323 -0.469 377 HG23 ILE 52 3HG2 ILE 52 -0.147 11.575 0.172 378 HD11 ILE 52 1HD1 ILE 52 -1.527 9.458 0.636 379 HD12 ILE 52 2HD1 ILE 52 -3.042 10.219 0.147 380 HD13 ILE 52 3HD1 ILE 52 -2.630 8.611 -0.448 381 H LEU 53 H LEU 53 2.405 12.295 -2.889 382 HA LEU 53 HA LEU 53 4.625 10.527 -3.290 383 HB2 LEU 53 1HB LEU 53 4.355 12.848 -4.255 384 HB3 LEU 53 2HB LEU 53 4.739 13.465 -2.650 385 HG LEU 53 HG LEU 53 6.934 12.252 -2.818 386 HD11 LEU 53 1HD1 LEU 53 6.024 11.897 -5.668 387 HD12 LEU 53 2HD1 LEU 53 6.402 10.628 -4.504 388 HD13 LEU 53 3HD1 LEU 53 7.683 11.678 -5.109 389 HD21 LEU 53 1HD2 LEU 53 6.060 14.638 -4.251 390 HD22 LEU 53 2HD2 LEU 53 7.538 13.928 -4.903 391 HD23 LEU 53 3HD2 LEU 53 7.457 14.391 -3.202 392 H LEU 54 H LEU 54 5.275 9.315 -1.621 393 HA LEU 54 HA LEU 54 5.090 10.152 1.100 394 HB2 LEU 54 1HB LEU 54 6.368 7.821 -0.289 395 HB3 LEU 54 2HB LEU 54 6.581 8.086 1.441 396 HG LEU 54 HG LEU 54 4.815 6.429 0.854 397 HD11 LEU 54 1HD1 LEU 54 3.453 7.041 2.608 398 HD12 LEU 54 2HD1 LEU 54 3.502 8.754 2.189 399 HD13 LEU 54 3HD1 LEU 54 4.905 7.988 2.934 400 HD21 LEU 54 1HD2 LEU 54 2.741 7.142 -0.087 401 HD22 LEU 54 2HD2 LEU 54 4.029 7.657 -1.176 402 HD23 LEU 54 3HD2 LEU 54 3.262 8.827 -0.101 403 HA PRO 55 HA PRO 55 8.887 12.282 1.670 404 HB2 PRO 55 1HB PRO 55 9.478 11.608 4.233 405 HB3 PRO 55 2HB PRO 55 8.175 12.725 3.809 406 HG2 PRO 55 1HG PRO 55 8.026 9.816 4.502 407 HG3 PRO 55 2HG PRO 55 6.977 11.146 5.026 408 HD2 PRO 55 1HD PRO 55 6.281 9.434 3.047 409 HD3 PRO 55 2HD PRO 55 5.770 11.134 3.062 410 H GLY 56 H GLY 56 8.715 8.875 1.792 411 HA2 GLY 56 1HA GLY 56 10.296 7.292 1.231 412 HA3 GLY 56 2HA GLY 56 11.430 8.601 0.933 413 H GLY 57 H GLY 57 10.602 6.052 2.979 414 HA2 GLY 57 1HA GLY 57 12.440 5.370 4.487 415 HA3 GLY 57 2HA GLY 57 12.502 7.045 5.015 416 H ILE 58 H ILE 58 9.600 5.117 4.453 417 HA ILE 58 HA ILE 58 9.085 5.153 7.352 418 HB ILE 58 HB ILE 58 6.902 5.889 7.118 419 HG12 ILE 58 1HG1 ILE 58 7.095 5.227 4.172 420 HG13 ILE 58 2HG1 ILE 58 6.199 4.324 5.388 421 HG21 ILE 58 1HG2 ILE 58 7.152 7.992 6.307 422 HG22 ILE 58 2HG2 ILE 58 8.841 7.493 6.232 423 HG23 ILE 58 3HG2 ILE 58 7.840 7.441 4.780 424 HD11 ILE 58 1HD1 ILE 58 4.460 5.734 5.331 425 HD12 ILE 58 2HD1 ILE 58 5.485 7.160 5.168 426 HD13 ILE 58 3HD1 ILE 58 5.117 6.172 3.754 427 H THR 59 H THR 59 7.163 3.655 7.875 428 HA THR 59 HA THR 59 7.355 1.213 6.235 429 HB THR 59 HB THR 59 7.041 -0.065 8.397 430 HG1 THR 59 1HG THR 59 7.953 1.309 10.225 431 HG21 THR 59 1HG2 THR 59 9.196 -0.053 7.335 432 HG22 THR 59 2HG2 THR 59 9.437 0.169 9.069 433 HG23 THR 59 3HG2 THR 59 9.556 1.549 7.978 434 H SER 60 H SER 60 5.356 3.601 7.240 435 HA SER 60 HA SER 60 3.000 2.225 6.451 436 HB2 SER 60 1HB SER 60 1.772 2.296 8.562 437 HB3 SER 60 2HB SER 60 3.221 1.306 8.741 438 HG SER 60 HG SER 60 2.879 3.996 9.581 439 H HIS 61 H HIS 61 1.269 3.618 6.090 440 HA HIS 61 HA HIS 61 1.666 6.444 6.774 441 HB2 HIS 61 1HB HIS 61 2.360 5.691 4.338 442 HB3 HIS 61 2HB HIS 61 0.624 5.767 4.056 443 HD1 HIS 61 1HD HIS 61 0.214 7.883 2.844 444 HD2 HIS 61 2HD HIS 61 2.925 8.381 5.953 445 HE1 HIS 61 1HE HIS 61 0.719 10.346 2.908 446 HE2 HIS 61 2HE HIS 61 2.426 10.611 4.741 447 H GLN 62 H GLN 62 -0.129 7.433 7.472 448 HA GLN 62 HA GLN 62 -2.576 5.891 7.623 449 HB2 GLN 62 1HB GLN 62 -1.867 7.073 9.610 450 HB3 GLN 62 2HB GLN 62 -1.820 8.597 8.734 451 HG2 GLN 62 1HG GLN 62 -3.803 8.739 9.899 452 HG3 GLN 62 2HG GLN 62 -4.326 8.176 8.313 453 HE21 GLN 62 1HE2 GLN 62 -5.320 6.246 8.130 454 HE22 GLN 62 2HE2 GLN 62 -5.659 5.195 9.459 455 H LEU 63 H LEU 63 -3.987 5.935 6.011 456 HA LEU 63 HA LEU 63 -4.061 8.170 4.165 457 HB2 LEU 63 1HB LEU 63 -5.551 5.553 4.238 458 HB3 LEU 63 2HB LEU 63 -5.748 6.768 2.976 459 HG LEU 63 HG LEU 63 -3.093 5.486 3.570 460 HD11 LEU 63 1HD1 LEU 63 -3.491 3.802 2.006 461 HD12 LEU 63 2HD1 LEU 63 -4.938 4.593 1.382 462 HD13 LEU 63 3HD1 LEU 63 -4.963 3.841 2.977 463 HD21 LEU 63 1HD2 LEU 63 -3.033 6.092 0.985 464 HD22 LEU 63 2HD2 LEU 63 -2.604 7.261 2.235 465 HD23 LEU 63 3HD2 LEU 63 -4.210 7.298 1.505 466 H LEU 64 H LEU 64 -5.425 9.819 4.310 467 HA LEU 64 HA LEU 64 -7.740 9.565 6.107 468 HB2 LEU 64 1HB LEU 64 -6.469 12.111 5.132 469 HB3 LEU 64 2HB LEU 64 -7.651 11.927 6.427 470 HG LEU 64 HG LEU 64 -4.852 10.815 6.558 471 HD11 LEU 64 1HD1 LEU 64 -4.405 12.741 8.068 472 HD12 LEU 64 2HD1 LEU 64 -5.935 13.446 7.547 473 HD13 LEU 64 3HD1 LEU 64 -4.638 13.191 6.379 474 HD21 LEU 64 1HD2 LEU 64 -7.011 11.250 8.618 475 HD22 LEU 64 2HD2 LEU 64 -5.353 10.774 8.987 476 HD23 LEU 64 3HD2 LEU 64 -6.388 9.704 8.039 477 H GLY 65 H GLY 65 -9.770 9.922 5.379 478 HA2 GLY 65 1HA GLY 65 -11.415 10.799 3.934 479 HA3 GLY 65 2HA GLY 65 -10.161 11.140 2.750 480 H LEU 66 H LEU 66 -11.854 8.437 4.316 481 HA LEU 66 HA LEU 66 -11.692 6.992 1.754 482 HB2 LEU 66 1HB LEU 66 -11.675 5.740 4.493 483 HB3 LEU 66 2HB LEU 66 -11.519 4.907 2.948 484 HG LEU 66 HG LEU 66 -9.498 6.850 4.063 485 HD11 LEU 66 1HD1 LEU 66 -8.166 4.979 4.669 486 HD12 LEU 66 2HD1 LEU 66 -9.292 3.851 3.916 487 HD13 LEU 66 3HD1 LEU 66 -9.764 4.727 5.372 488 HD21 LEU 66 1HD2 LEU 66 -8.590 4.965 2.072 489 HD22 LEU 66 2HD2 LEU 66 -8.449 6.723 2.107 490 HD23 LEU 66 3HD2 LEU 66 -9.905 5.967 1.458 491 H PHE 67 H PHE 67 -13.411 5.289 1.548 492 HA PHE 67 HA PHE 67 -15.954 6.412 2.472 493 HB2 PHE 67 1HB PHE 67 -15.298 4.489 0.234 494 HB3 PHE 67 2HB PHE 67 -16.939 4.935 0.689 495 HD1 PHE 67 2HD PHE 67 -16.649 7.809 1.210 496 HD2 PHE 67 1HD PHE 67 -14.997 5.388 -1.877 497 HE1 PHE 67 2HE PHE 67 -16.521 9.778 -0.261 498 HE2 PHE 67 1HE PHE 67 -14.865 7.353 -3.352 499 HZ PHE 67 HZ PHE 67 -15.628 9.551 -2.545 500 HA PRO 68 HA PRO 68 -16.689 3.108 5.278 501 HB2 PRO 68 1HB PRO 68 -19.404 3.129 5.304 502 HB3 PRO 68 2HB PRO 68 -18.426 4.375 6.089 503 HG2 PRO 68 1HG PRO 68 -19.795 4.438 3.428 504 HG3 PRO 68 2HG PRO 68 -19.708 5.699 4.671 505 HD2 PRO 68 1HD PRO 68 -18.136 5.716 2.467 506 HD3 PRO 68 2HD PRO 68 -17.596 6.362 4.030 507 H SER 69 H SER 69 -16.400 1.024 4.822 508 HA SER 69 HA SER 69 -16.678 -1.065 3.964 509 HB2 SER 69 1HB SER 69 -19.049 -0.722 4.632 510 HB3 SER 69 2HB SER 69 -19.376 -0.053 3.034 511 HG SER 69 HG SER 69 -19.730 -2.445 3.523 512 H THR 70 H THR 70 -15.375 0.947 2.420 513 HA THR 70 HA THR 70 -16.048 0.098 -0.322 514 HB THR 70 HB THR 70 -14.645 2.621 0.581 515 HG1 THR 70 1HG THR 70 -16.675 3.372 -0.692 516 HG21 THR 70 1HG2 THR 70 -15.557 2.230 -2.217 517 HG22 THR 70 2HG2 THR 70 -14.088 1.392 -1.718 518 HG23 THR 70 3HG2 THR 70 -14.188 3.148 -1.591 519 H SER 71 H SER 71 -14.568 -0.991 -1.465 520 HA SER 71 HA SER 71 -12.147 -1.839 -0.185 521 HB2 SER 71 1HB SER 71 -13.328 -3.428 -1.565 522 HB3 SER 71 2HB SER 71 -13.254 -2.346 -2.955 523 HG SER 71 HG SER 71 -11.427 -4.131 -2.079 524 H TYR 72 H TYR 72 -10.049 -1.329 -0.683 525 HA TYR 72 HA TYR 72 -9.609 0.765 -2.698 526 HB2 TYR 72 1HB TYR 72 -8.708 0.754 0.177 527 HB3 TYR 72 2HB TYR 72 -7.881 1.711 -1.047 528 HD1 TYR 72 1HD TYR 72 -10.963 1.328 0.898 529 HD2 TYR 72 2HD TYR 72 -8.937 3.663 -2.025 530 HE1 TYR 72 1HE TYR 72 -12.610 3.129 1.204 531 HE2 TYR 72 2HE TYR 72 -10.578 5.471 -1.727 532 HH TYR 72 HH TYR 72 -12.873 5.760 -0.934 533 H ASN 73 H ASN 73 -7.764 0.584 -3.879 534 HA ASN 73 HA ASN 73 -6.080 -1.764 -3.314 535 HB2 ASN 73 1HB ASN 73 -7.350 -1.866 -5.436 536 HB3 ASN 73 2HB ASN 73 -6.558 -0.384 -5.965 537 HD21 ASN 73 1HD2 ASN 73 -6.456 -3.703 -6.023 538 HD22 ASN 73 2HD2 ASN 73 -4.825 -3.915 -6.552 539 H ALA 74 H ALA 74 -4.363 -1.030 -2.199 540 HA ALA 74 HA ALA 74 -3.100 1.489 -2.924 541 HB1 ALA 74 1HB ALA 74 -2.784 1.533 -0.725 542 HB2 ALA 74 2HB ALA 74 -3.220 -0.168 -0.562 543 HB3 ALA 74 3HB ALA 74 -1.560 0.283 -0.949 544 H ARG 75 H ARG 75 -0.743 1.595 -3.210 545 HA ARG 75 HA ARG 75 0.604 -0.816 -4.076 546 HB2 ARG 75 1HB ARG 75 -0.741 0.024 -6.055 547 HB3 ARG 75 2HB ARG 75 0.292 1.447 -6.045 548 HG2 ARG 75 1HG ARG 75 2.200 -0.382 -6.111 549 HG3 ARG 75 2HG ARG 75 0.908 -1.342 -6.834 550 HD2 ARG 75 1HD ARG 75 1.403 1.425 -7.830 551 HD3 ARG 75 2HD ARG 75 2.489 0.127 -8.325 552 HE ARG 75 HE ARG 75 -0.125 -0.747 -8.739 553 HH11 ARG 75 2HH1 ARG 75 2.049 1.691 -9.944 554 HH12 ARG 75 1HH1 ARG 75 1.335 1.734 -11.522 555 HH21 ARG 75 2HH2 ARG 75 -1.073 -0.699 -10.813 556 HH22 ARG 75 1HH2 ARG 75 -0.442 0.375 -12.015 557 H LEU 76 H LEU 76 2.401 -0.603 -2.902 558 HA LEU 76 HA LEU 76 3.638 2.024 -2.595 559 HB2 LEU 76 1HB LEU 76 3.395 0.799 -0.567 560 HB3 LEU 76 2HB LEU 76 4.125 -0.638 -1.280 561 HG LEU 76 HG LEU 76 6.244 0.833 -1.494 562 HD11 LEU 76 1HD1 LEU 76 4.431 2.609 -0.110 563 HD12 LEU 76 2HD1 LEU 76 6.011 2.937 -0.821 564 HD13 LEU 76 3HD1 LEU 76 5.897 2.315 0.825 565 HD21 LEU 76 1HD2 LEU 76 5.106 -0.463 0.934 566 HD22 LEU 76 2HD2 LEU 76 6.632 0.411 1.073 567 HD23 LEU 76 3HD2 LEU 76 6.486 -0.935 -0.058 568 H GLN 77 H GLN 77 5.285 2.651 -3.816 569 HA GLN 77 HA GLN 77 7.076 0.622 -4.951 570 HB2 GLN 77 1HB GLN 77 5.246 1.571 -6.561 571 HB3 GLN 77 2HB GLN 77 6.279 2.994 -6.600 572 HG2 GLN 77 1HG GLN 77 8.161 1.515 -7.300 573 HG3 GLN 77 2HG GLN 77 6.998 0.197 -7.435 574 HE21 GLN 77 1HE2 GLN 77 8.427 0.860 -9.611 575 HE22 GLN 77 2HE2 GLN 77 7.433 1.656 -10.778 576 H ALA 78 H ALA 78 9.141 1.067 -4.572 577 HA ALA 78 HA ALA 78 9.847 3.759 -3.649 578 HB1 ALA 78 1HB ALA 78 10.943 2.643 -2.075 579 HB2 ALA 78 2HB ALA 78 10.636 1.105 -2.884 580 HB3 ALA 78 3HB ALA 78 12.051 2.064 -3.320 581 H MET 79 H MET 79 11.418 4.986 -4.609 582 HA MET 79 HA MET 79 12.106 4.263 -7.335 583 HB2 MET 79 1HB MET 79 12.797 6.795 -5.841 584 HB3 MET 79 2HB MET 79 12.835 6.546 -7.581 585 HG2 MET 79 1HG MET 79 10.358 6.144 -7.471 586 HG3 MET 79 2HG MET 79 10.425 6.687 -5.796 587 HE1 MET 79 1HE MET 79 8.997 8.755 -5.758 588 HE2 MET 79 2HE MET 79 10.564 9.120 -5.038 589 HE3 MET 79 3HE MET 79 9.795 10.287 -6.114 590 H TRP 80 H TRP 80 13.898 3.174 -7.768 591 HA TRP 80 HA TRP 80 16.233 3.553 -6.011 592 HB2 TRP 80 1HB TRP 80 15.115 1.122 -7.347 593 HB3 TRP 80 2HB TRP 80 16.853 1.222 -7.079 594 HD1 TRP 80 HD TRP 80 17.672 1.360 -4.480 595 HE1 TRP 80 1HE TRP 80 16.568 0.458 -2.337 596 HE3 TRP 80 3HE TRP 80 12.921 0.680 -6.240 597 HZ2 TRP 80 2HZ TRP 80 14.019 -0.425 -1.503 598 HZ3 TRP 80 3HZ TRP 80 11.209 -0.197 -4.706 599 HH2 TRP 80 HH TRP 80 11.749 -0.739 -2.387 600 H GLY 81 H GLY 81 17.414 5.064 -7.069 601 HA2 GLY 81 1HA GLY 81 18.429 6.155 -8.859 602 HA3 GLY 81 2HA GLY 81 19.189 4.577 -9.002 603 H GLN 82 H GLN 82 19.282 4.112 -11.102 604 HA GLN 82 HA GLN 82 17.213 4.962 -12.925 605 HB2 GLN 82 1HB GLN 82 19.749 3.371 -13.305 606 HB3 GLN 82 2HB GLN 82 18.637 3.740 -14.617 607 HG2 GLN 82 1HG GLN 82 20.162 5.721 -12.943 608 HG3 GLN 82 2HG GLN 82 20.470 5.298 -14.626 609 HE21 GLN 82 1HE2 GLN 82 19.123 7.546 -12.670 610 HE22 GLN 82 2HE2 GLN 82 17.995 8.258 -13.768 611 H SER 83 H SER 83 16.170 3.270 -10.987 612 HA SER 83 HA SER 83 15.038 1.210 -12.652 613 HB2 SER 83 1HB SER 83 16.812 0.520 -10.314 614 HB3 SER 83 2HB SER 83 15.566 -0.584 -10.895 615 HG SER 83 HG SER 83 17.934 0.251 -12.134 616 H LEU 84 H LEU 84 13.175 0.204 -11.695 617 HA LEU 84 HA LEU 84 12.173 1.528 -9.270 618 HB2 LEU 84 1HB LEU 84 10.488 1.007 -11.709 619 HB3 LEU 84 2HB LEU 84 10.021 1.873 -10.248 620 HG LEU 84 HG LEU 84 12.131 2.845 -12.168 621 HD11 LEU 84 1HD1 LEU 84 10.051 2.773 -13.362 622 HD12 LEU 84 2HD1 LEU 84 10.390 4.446 -12.919 623 HD13 LEU 84 3HD1 LEU 84 9.198 3.518 -12.010 624 HD21 LEU 84 1HD2 LEU 84 12.222 3.662 -9.818 625 HD22 LEU 84 2HD2 LEU 84 10.596 4.312 -10.028 626 HD23 LEU 84 3HD2 LEU 84 11.927 4.931 -11.007 627 H LEU 85 H LEU 85 12.803 -0.478 -8.252 628 HA LEU 85 HA LEU 85 12.208 -3.030 -8.782 629 HB2 LEU 85 1HB LEU 85 11.653 -1.698 -6.135 630 HB3 LEU 85 2HB LEU 85 11.882 -3.427 -6.389 631 HG LEU 85 HG LEU 85 13.947 -1.247 -6.652 632 HD11 LEU 85 1HD1 LEU 85 15.006 -3.020 -4.981 633 HD12 LEU 85 2HD1 LEU 85 13.303 -3.336 -4.653 634 HD13 LEU 85 3HD1 LEU 85 13.957 -1.713 -4.431 635 HD21 LEU 85 1HD2 LEU 85 15.506 -3.152 -7.133 636 HD22 LEU 85 2HD2 LEU 85 14.378 -2.765 -8.433 637 HD23 LEU 85 3HD2 LEU 85 14.084 -4.162 -7.396 638 HA PRO 86 HA PRO 86 7.885 -3.622 -9.274 639 HB2 PRO 86 1HB PRO 86 7.603 -6.153 -8.332 640 HB3 PRO 86 2HB PRO 86 8.376 -5.784 -9.878 641 HG2 PRO 86 1HG PRO 86 9.632 -6.378 -7.226 642 HG3 PRO 86 2HG PRO 86 10.091 -6.960 -8.837 643 HD2 PRO 86 1HD PRO 86 11.387 -4.932 -7.596 644 HD3 PRO 86 2HD PRO 86 11.206 -5.012 -9.361 645 HA PRO 87 HA PRO 87 6.482 -2.409 -5.166 646 HB2 PRO 87 1HB PRO 87 4.108 -1.408 -6.022 647 HB3 PRO 87 2HB PRO 87 5.629 -0.516 -6.149 648 HG2 PRO 87 1HG PRO 87 4.179 -2.096 -8.238 649 HG3 PRO 87 2HG PRO 87 4.970 -0.515 -8.379 650 HD2 PRO 87 1HD PRO 87 6.133 -2.808 -9.230 651 HD3 PRO 87 2HD PRO 87 7.070 -1.444 -8.586 652 H VAL 88 H VAL 88 4.384 -2.802 -3.968 653 HA VAL 88 HA VAL 88 3.298 -5.439 -4.716 654 HB VAL 88 HB VAL 88 2.803 -5.680 -2.244 655 HG11 VAL 88 1HG1 VAL 88 5.623 -5.561 -3.284 656 HG12 VAL 88 2HG1 VAL 88 5.220 -6.204 -1.691 657 HG13 VAL 88 3HG1 VAL 88 4.568 -6.967 -3.142 658 HG21 VAL 88 1HG2 VAL 88 4.863 -3.522 -1.890 659 HG22 VAL 88 2HG2 VAL 88 3.133 -3.187 -1.839 660 HG23 VAL 88 3HG2 VAL 88 3.852 -4.288 -0.664 661 H SER 89 H SER 89 1.164 -5.626 -4.992 662 HA SER 89 HA SER 89 -0.521 -3.328 -4.246 663 HB2 SER 89 1HB SER 89 -2.040 -4.093 -6.072 664 HB3 SER 89 2HB SER 89 -0.439 -3.635 -6.651 665 HG SER 89 HG SER 89 -0.847 -6.304 -5.961 666 H THR 90 H THR 90 -2.088 -3.632 -2.806 667 HA THR 90 HA THR 90 -3.117 -6.345 -2.357 668 HB THR 90 HB THR 90 -1.343 -5.694 -0.639 669 HG1 THR 90 1HG THR 90 -3.861 -6.161 0.565 670 HG21 THR 90 1HG2 THR 90 -2.079 -4.233 1.178 671 HG22 THR 90 2HG2 THR 90 -3.577 -3.896 0.311 672 HG23 THR 90 3HG2 THR 90 -2.034 -3.357 -0.351 673 H SER 91 H SER 91 -5.175 -6.381 -1.189 674 HA SER 91 HA SER 91 -6.713 -3.899 -1.598 675 HB2 SER 91 1HB SER 91 -8.628 -5.214 -2.231 676 HB3 SER 91 2HB SER 91 -7.259 -5.761 -3.199 677 HG SER 91 HG SER 91 -7.094 -7.309 -1.221 678 H PHE 92 H PHE 92 -8.280 -3.359 -0.075 679 HA PHE 92 HA PHE 92 -8.676 -5.045 2.246 680 HB2 PHE 92 1HB PHE 92 -7.904 -3.416 3.867 681 HB3 PHE 92 2HB PHE 92 -6.589 -3.802 2.763 682 HD1 PHE 92 1HD PHE 92 -5.954 -2.184 0.993 683 HD2 PHE 92 2HD PHE 92 -8.764 -1.222 4.042 684 HE1 PHE 92 1HE PHE 92 -5.664 0.209 0.501 685 HE2 PHE 92 2HE PHE 92 -8.479 1.172 3.554 686 HZ PHE 92 HZ PHE 92 -6.928 1.891 1.781 687 H THR 93 H THR 93 -10.602 -4.679 3.238 688 HA THR 93 HA THR 93 -12.309 -2.622 2.030 689 HB THR 93 HB THR 93 -13.174 -4.951 3.750 690 HG1 THR 93 1HG THR 93 -12.173 -5.643 1.777 691 HG21 THR 93 1HG2 THR 93 -14.539 -2.670 2.815 692 HG22 THR 93 2HG2 THR 93 -15.226 -4.097 3.591 693 HG23 THR 93 3HG2 THR 93 -15.096 -4.024 1.834 694 H THR 94 H THR 94 -13.172 -0.988 3.181 695 HA THR 94 HA THR 94 -12.172 -0.531 5.850 696 HB THR 94 HB THR 94 -13.483 1.622 5.665 697 HG1 THR 94 1HG THR 94 -14.812 1.827 4.039 698 HG21 THR 94 1HG2 THR 94 -11.278 1.982 5.156 699 HG22 THR 94 2HG2 THR 94 -12.006 2.379 3.600 700 HG23 THR 94 3HG2 THR 94 -11.272 0.796 3.852 701 H GLY 95 H GLY 95 -13.646 0.217 7.596 702 HA2 GLY 95 1HA GLY 95 -15.721 -1.729 7.998 703 HA3 GLY 95 2HA GLY 95 -15.241 -0.466 9.122 704 H GLY 96 H GLY 96 -17.726 -0.617 9.305 705 HA2 GLY 96 1HA GLY 96 -18.946 1.180 7.304 706 HA3 GLY 96 2HA GLY 96 -19.837 -0.011 8.239 707 H LEU 97 H LEU 97 -20.660 2.620 8.124 708 HA LEU 97 HA LEU 97 -19.721 3.996 10.491 709 HB2 LEU 97 1HB LEU 97 -21.843 4.605 8.449 710 HB3 LEU 97 2HB LEU 97 -21.575 5.610 9.872 711 HG LEU 97 HG LEU 97 -19.487 5.066 7.765 712 HD11 LEU 97 1HD1 LEU 97 -20.088 7.669 7.477 713 HD12 LEU 97 2HD1 LEU 97 -21.677 7.033 7.902 714 HD13 LEU 97 3HD1 LEU 97 -20.813 6.385 6.508 715 HD21 LEU 97 1HD2 LEU 97 -18.070 6.066 9.147 716 HD22 LEU 97 2HD2 LEU 97 -19.332 6.122 10.378 717 HD23 LEU 97 3HD2 LEU 97 -19.131 7.471 9.258 718 H ARG 98 H ARG 98 -20.304 2.247 11.969 719 HA ARG 98 HA ARG 98 -23.016 2.627 12.970 720 HB2 ARG 98 1HB ARG 98 -22.769 0.539 11.404 721 HB3 ARG 98 2HB ARG 98 -21.985 -0.180 12.805 722 HG2 ARG 98 1HG ARG 98 -24.025 0.369 14.133 723 HG3 ARG 98 2HG ARG 98 -24.798 0.871 12.628 724 HD2 ARG 98 1HD ARG 98 -23.578 -1.853 12.990 725 HD3 ARG 98 2HD ARG 98 -25.251 -1.502 13.420 726 HE ARG 98 HE ARG 98 -24.225 -1.936 10.810 727 HH11 ARG 98 2HH1 ARG 98 -26.569 -0.072 12.585 728 HH12 ARG 98 1HH1 ARG 98 -27.634 0.120 11.232 729 HH21 ARG 98 2HH2 ARG 98 -25.619 -1.690 9.021 730 HH22 ARG 98 1HH2 ARG 98 -27.093 -0.801 9.205 731 H ILE 99 H ILE 99 -23.249 2.217 15.183 732 HA ILE 99 HA ILE 99 -20.749 1.645 16.634 733 HB ILE 99 HB ILE 99 -22.838 3.680 17.421 734 HG12 ILE 99 1HG1 ILE 99 -19.984 4.362 16.872 735 HG13 ILE 99 2HG1 ILE 99 -21.054 4.094 15.500 736 HG21 ILE 99 1HG2 ILE 99 -21.199 2.226 19.074 737 HG22 ILE 99 2HG2 ILE 99 -20.280 3.708 18.815 738 HG23 ILE 99 3HG2 ILE 99 -21.921 3.789 19.455 739 HD11 ILE 99 1HD1 ILE 99 -22.167 6.015 15.830 740 HD12 ILE 99 2HD1 ILE 99 -22.084 5.890 17.587 741 HD13 ILE 99 3HD1 ILE 99 -20.691 6.475 16.678 742 H SER 100 H SER 100 -20.919 -0.085 17.881 743 HA SER 100 HA SER 100 -23.337 -1.461 18.316 744 HB2 SER 100 1HB SER 100 -20.813 -2.249 18.426 745 HB3 SER 100 2HB SER 100 -21.009 -1.890 20.142 746 HG SER 100 HG SER 100 -21.571 -4.028 19.772 747 H GLY 101 H GLY 101 -23.938 -2.162 20.662 748 HA2 GLY 101 1HA GLY 101 -24.478 0.324 22.123 749 HA3 GLY 101 2HA GLY 101 -25.359 -1.187 22.296 750 HA PRO 102 HA PRO 102 -22.615 -0.829 25.975 751 HB2 PRO 102 1HB PRO 102 -24.452 -1.822 27.710 752 HB3 PRO 102 2HB PRO 102 -24.386 -0.116 27.254 753 HG2 PRO 102 1HG PRO 102 -26.173 -2.284 26.223 754 HG3 PRO 102 2HG PRO 102 -26.577 -0.612 26.652 755 HD2 PRO 102 1HD PRO 102 -26.208 -1.410 24.091 756 HD3 PRO 102 2HD PRO 102 -25.795 0.223 24.651 757 H SER 103 H SER 103 -24.750 -3.456 24.937 758 HA SER 103 HA SER 103 -23.884 -5.590 26.361 759 HB2 SER 103 1HB SER 103 -24.273 -5.649 23.360 760 HB3 SER 103 2HB SER 103 -24.447 -7.004 24.475 761 HG SER 103 HG SER 103 -26.264 -5.168 23.770 762 H SER 104 H SER 104 -22.351 -7.332 25.851 763 HA SER 104 HA SER 104 -20.051 -6.668 24.230 764 HB2 SER 104 1HB SER 104 -19.525 -5.483 26.313 765 HB3 SER 104 2HB SER 104 -19.769 -6.969 27.231 766 HG SER 104 HG SER 104 -17.535 -6.165 26.230 767 H GLY 105 H GLY 105 -18.743 -8.449 23.763 768 HA2 GLY 105 1HA GLY 105 -20.055 -10.988 23.993 769 HA3 GLY 105 2HA GLY 105 -18.507 -10.681 23.219 Start of MODEL 20 1 H1 GLY 1 H GLY 1 12.478 -10.601 -20.175 2 HA2 GLY 1 1HA GLY 1 15.371 -11.141 -20.121 3 HA3 GLY 1 2HA GLY 1 14.619 -9.685 -20.755 4 H SER 2 H SER 2 15.147 -11.487 -17.744 5 HA SER 2 HA SER 2 15.091 -8.917 -16.303 6 HB2 SER 2 1HB SER 2 14.507 -10.201 -14.289 7 HB3 SER 2 2HB SER 2 13.333 -10.477 -15.576 8 HG SER 2 HG SER 2 15.499 -12.219 -15.441 9 H SER 3 H SER 3 16.812 -8.323 -15.090 10 HA SER 3 HA SER 3 18.879 -10.196 -14.363 11 HB2 SER 3 1HB SER 3 19.256 -9.398 -16.827 12 HB3 SER 3 2HB SER 3 19.804 -7.904 -16.065 13 HG SER 3 HG SER 3 20.821 -10.319 -15.100 14 H GLY 4 H GLY 4 20.106 -9.484 -12.665 15 HA2 GLY 4 1HA GLY 4 20.945 -7.141 -11.786 16 HA3 GLY 4 2HA GLY 4 19.228 -6.975 -11.449 17 H SER 5 H SER 5 22.013 -9.088 -10.833 18 HA SER 5 HA SER 5 20.719 -10.028 -8.377 19 HB2 SER 5 1HB SER 5 22.424 -11.771 -8.340 20 HB3 SER 5 2HB SER 5 21.656 -11.724 -9.927 21 HG SER 5 HG SER 5 23.445 -10.785 -10.775 22 H SER 6 H SER 6 21.513 -7.391 -8.293 23 HA SER 6 HA SER 6 24.120 -7.198 -7.064 24 HB2 SER 6 1HB SER 6 21.939 -5.108 -7.258 25 HB3 SER 6 2HB SER 6 23.630 -4.823 -6.845 26 HG SER 6 HG SER 6 22.878 -4.490 -9.131 27 H GLY 7 H GLY 7 20.737 -6.985 -6.022 28 HA2 GLY 7 1HA GLY 7 20.493 -8.179 -3.769 29 HA3 GLY 7 2HA GLY 7 21.662 -6.985 -3.224 30 H LEU 8 H LEU 8 18.730 -6.822 -5.246 31 HA LEU 8 HA LEU 8 17.722 -4.742 -3.419 32 HB2 LEU 8 1HB LEU 8 17.874 -4.859 -6.373 33 HB3 LEU 8 2HB LEU 8 16.419 -4.150 -5.676 34 HG LEU 8 HG LEU 8 19.242 -3.206 -5.172 35 HD11 LEU 8 1HD1 LEU 8 18.317 -2.829 -7.484 36 HD12 LEU 8 2HD1 LEU 8 18.771 -1.375 -6.595 37 HD13 LEU 8 3HD1 LEU 8 17.072 -1.828 -6.735 38 HD21 LEU 8 1HD2 LEU 8 17.943 -1.209 -4.248 39 HD22 LEU 8 2HD2 LEU 8 18.013 -2.666 -3.255 40 HD23 LEU 8 3HD2 LEU 8 16.557 -2.298 -4.183 41 H GLU 9 H GLU 9 15.775 -5.072 -2.547 42 HA GLU 9 HA GLU 9 13.976 -7.026 -3.804 43 HB2 GLU 9 1HB GLU 9 13.480 -8.059 -1.692 44 HB3 GLU 9 2HB GLU 9 15.222 -8.084 -1.921 45 HG2 GLU 9 1HG GLU 9 15.612 -6.633 -0.220 46 HG3 GLU 9 2HG GLU 9 14.074 -5.798 -0.431 47 H ALA 10 H ALA 10 11.783 -6.641 -3.547 48 HA ALA 10 HA ALA 10 11.081 -3.903 -2.982 49 HB1 ALA 10 1HB ALA 10 9.430 -4.295 -4.412 50 HB2 ALA 10 2HB ALA 10 10.049 -5.935 -4.604 51 HB3 ALA 10 3HB ALA 10 8.800 -5.599 -3.405 52 HA PRO 11 HA PRO 11 9.406 -4.246 1.059 53 HB2 PRO 11 1HB PRO 11 7.013 -2.976 0.889 54 HB3 PRO 11 2HB PRO 11 8.560 -2.123 0.826 55 HG2 PRO 11 1HG PRO 11 6.758 -2.947 -1.418 56 HG3 PRO 11 2HG PRO 11 7.626 -1.418 -1.184 57 HD2 PRO 11 1HD PRO 11 8.520 -3.362 -2.843 58 HD3 PRO 11 2HD PRO 11 9.617 -2.286 -1.955 59 H ARG 12 H ARG 12 8.792 -6.141 1.890 60 HA ARG 12 HA ARG 12 6.460 -7.514 0.749 61 HB2 ARG 12 1HB ARG 12 7.301 -9.529 1.779 62 HB3 ARG 12 2HB ARG 12 8.601 -8.766 0.873 63 HG2 ARG 12 1HG ARG 12 9.425 -7.786 3.007 64 HG3 ARG 12 2HG ARG 12 8.203 -8.736 3.855 65 HD2 ARG 12 1HD ARG 12 10.300 -9.922 2.044 66 HD3 ARG 12 2HD ARG 12 10.484 -9.768 3.791 67 HE ARG 12 HE ARG 12 8.126 -11.097 3.479 68 HH11 ARG 12 2HH1 ARG 12 11.393 -11.612 2.391 69 HH12 ARG 12 1HH1 ARG 12 11.252 -13.338 2.370 70 HH21 ARG 12 2HH2 ARG 12 7.928 -13.369 3.455 71 HH22 ARG 12 1HH2 ARG 12 9.280 -14.337 2.974 72 H ASP 13 H ASP 13 5.348 -8.944 2.551 73 HA ASP 13 HA ASP 13 3.908 -8.960 4.312 74 HB2 ASP 13 1HB ASP 13 6.269 -7.489 5.432 75 HB3 ASP 13 2HB ASP 13 4.802 -7.652 6.394 76 H LEU 14 H LEU 14 2.991 -7.352 2.451 77 HA LEU 14 HA LEU 14 2.365 -4.769 3.691 78 HB2 LEU 14 1HB LEU 14 3.168 -4.545 1.468 79 HB3 LEU 14 2HB LEU 14 2.085 -5.806 0.882 80 HG LEU 14 HG LEU 14 0.220 -4.125 1.657 81 HD11 LEU 14 1HD1 LEU 14 2.234 -2.632 2.505 82 HD12 LEU 14 2HD1 LEU 14 0.761 -1.923 1.845 83 HD13 LEU 14 3HD1 LEU 14 2.197 -2.071 0.833 84 HD21 LEU 14 1HD2 LEU 14 1.195 -2.973 -0.752 85 HD22 LEU 14 2HD2 LEU 14 -0.113 -4.136 -0.535 86 HD23 LEU 14 3HD2 LEU 14 1.540 -4.702 -0.782 87 H GLU 15 H GLU 15 0.645 -4.875 4.988 88 HA GLU 15 HA GLU 15 -1.830 -6.000 3.900 89 HB2 GLU 15 1HB GLU 15 -0.943 -7.760 5.312 90 HB3 GLU 15 2HB GLU 15 -0.702 -6.626 6.633 91 HG2 GLU 15 1HG GLU 15 -2.648 -7.889 7.116 92 HG3 GLU 15 2HG GLU 15 -3.168 -6.264 6.674 93 H ALA 16 H ALA 16 -3.740 -5.084 4.742 94 HA ALA 16 HA ALA 16 -3.402 -2.367 5.669 95 HB1 ALA 16 1HB ALA 16 -5.502 -3.922 4.376 96 HB2 ALA 16 2HB ALA 16 -6.107 -2.821 5.614 97 HB3 ALA 16 3HB ALA 16 -5.141 -2.199 4.277 98 H LYS 17 H LYS 17 -3.374 -1.797 7.732 99 HA LYS 17 HA LYS 17 -4.741 -3.523 9.692 100 HB2 LYS 17 1HB LYS 17 -2.226 -1.882 10.040 101 HB3 LYS 17 2HB LYS 17 -3.055 -2.725 11.342 102 HG2 LYS 17 1HG LYS 17 -2.712 -4.847 10.021 103 HG3 LYS 17 2HG LYS 17 -1.640 -3.914 8.974 104 HD2 LYS 17 1HD LYS 17 -0.232 -3.364 10.887 105 HD3 LYS 17 2HD LYS 17 -1.320 -4.250 11.958 106 HE2 LYS 17 1HE LYS 17 -0.795 -6.323 10.860 107 HE3 LYS 17 2HE LYS 17 0.148 -5.483 9.630 108 HZ1 LYS 17 1HZ LYS 17 1.567 -6.492 11.304 109 HZ2 LYS 17 2HZ LYS 17 0.806 -5.602 12.524 110 HZ3 LYS 17 3HZ LYS 17 1.713 -4.807 11.339 111 H GLU 18 H GLU 18 -5.699 -2.478 11.518 112 HA GLU 18 HA GLU 18 -7.074 -0.928 12.459 113 HB2 GLU 18 1HB GLU 18 -5.035 1.022 11.372 114 HB3 GLU 18 2HB GLU 18 -6.202 1.349 12.645 115 HG2 GLU 18 1HG GLU 18 -3.918 -0.605 12.765 116 HG3 GLU 18 2HG GLU 18 -4.026 0.947 13.595 117 H VAL 19 H VAL 19 -7.875 -1.782 9.942 118 HA VAL 19 HA VAL 19 -8.510 0.365 8.192 119 HB VAL 19 HB VAL 19 -9.790 -2.362 8.429 120 HG11 VAL 19 1HG1 VAL 19 -9.974 -1.360 5.807 121 HG12 VAL 19 2HG1 VAL 19 -11.287 -1.651 6.950 122 HG13 VAL 19 3HG1 VAL 19 -10.514 -0.067 6.877 123 HG21 VAL 19 1HG2 VAL 19 -8.364 -2.707 6.310 124 HG22 VAL 19 2HG2 VAL 19 -7.448 -1.312 6.879 125 HG23 VAL 19 3HG2 VAL 19 -7.561 -2.760 7.880 126 H THR 20 H THR 20 -10.198 1.725 8.152 127 HA THR 20 HA THR 20 -12.615 1.164 9.649 128 HB THR 20 HB THR 20 -12.321 3.645 10.604 129 HG1 THR 20 1HG THR 20 -10.086 3.580 9.655 130 HG21 THR 20 1HG2 THR 20 -11.859 0.959 11.650 131 HG22 THR 20 2HG2 THR 20 -12.769 2.302 12.343 132 HG23 THR 20 3HG2 THR 20 -11.022 2.213 12.563 133 HA PRO 21 HA PRO 21 -14.538 3.555 6.511 134 HB2 PRO 21 1HB PRO 21 -16.559 4.773 7.855 135 HB3 PRO 21 2HB PRO 21 -16.555 3.044 7.487 136 HG2 PRO 21 1HG PRO 21 -15.826 4.440 10.033 137 HG3 PRO 21 2HG PRO 21 -16.782 2.965 9.800 138 HD2 PRO 21 1HD PRO 21 -14.179 2.911 10.543 139 HD3 PRO 21 2HD PRO 21 -14.912 1.643 9.540 140 H ARG 22 H ARG 22 -12.784 4.998 8.931 141 HA ARG 22 HA ARG 22 -13.270 7.707 7.882 142 HB2 ARG 22 1HB ARG 22 -12.413 6.693 10.566 143 HB3 ARG 22 2HB ARG 22 -11.923 8.303 10.055 144 HG2 ARG 22 1HG ARG 22 -14.793 7.454 9.959 145 HG3 ARG 22 2HG ARG 22 -14.060 8.061 11.445 146 HD2 ARG 22 1HD ARG 22 -13.792 9.598 8.893 147 HD3 ARG 22 2HD ARG 22 -15.275 9.706 9.840 148 HE ARG 22 HE ARG 22 -14.101 10.810 11.525 149 HH11 ARG 22 2HH1 ARG 22 -11.995 9.834 8.931 150 HH12 ARG 22 1HH1 ARG 22 -10.684 10.845 9.440 151 HH21 ARG 22 2HH2 ARG 22 -12.382 12.146 12.206 152 HH22 ARG 22 1HH2 ARG 22 -10.905 12.159 11.304 153 H THR 23 H THR 23 -10.734 5.438 8.870 154 HA THR 23 HA THR 23 -8.952 6.617 6.887 155 HB THR 23 HB THR 23 -7.051 6.596 8.555 156 HG1 THR 23 1HG THR 23 -8.666 5.442 10.116 157 HG21 THR 23 1HG2 THR 23 -9.333 8.538 8.709 158 HG22 THR 23 2HG2 THR 23 -7.764 8.729 7.928 159 HG23 THR 23 3HG2 THR 23 -7.884 8.764 9.687 160 H ALA 24 H ALA 24 -6.880 5.295 6.731 161 HA ALA 24 HA ALA 24 -7.174 2.521 7.571 162 HB1 ALA 24 1HB ALA 24 -6.875 1.651 5.301 163 HB2 ALA 24 2HB ALA 24 -8.364 2.586 5.449 164 HB3 ALA 24 3HB ALA 24 -6.953 3.294 4.664 165 H LEU 25 H LEU 25 -5.276 1.847 8.304 166 HA LEU 25 HA LEU 25 -2.845 3.231 7.421 167 HB2 LEU 25 1HB LEU 25 -3.224 3.264 9.802 168 HB3 LEU 25 2HB LEU 25 -3.401 1.511 9.832 169 HG LEU 25 HG LEU 25 -0.924 1.613 8.893 170 HD11 LEU 25 1HD1 LEU 25 -1.127 4.180 8.931 171 HD12 LEU 25 2HD1 LEU 25 0.341 3.440 9.567 172 HD13 LEU 25 3HD1 LEU 25 -0.904 4.021 10.673 173 HD21 LEU 25 1HD2 LEU 25 -1.945 1.775 11.699 174 HD22 LEU 25 2HD2 LEU 25 -0.211 1.690 11.386 175 HD23 LEU 25 3HD2 LEU 25 -1.273 0.396 10.829 176 H LEU 26 H LEU 26 -1.222 2.201 6.393 177 HA LEU 26 HA LEU 26 -1.493 -0.706 5.993 178 HB2 LEU 26 1HB LEU 26 -0.995 1.494 4.060 179 HB3 LEU 26 2HB LEU 26 -0.184 -0.046 3.785 180 HG LEU 26 HG LEU 26 -3.134 -0.032 4.220 181 HD11 LEU 26 1HD1 LEU 26 -2.405 1.767 2.510 182 HD12 LEU 26 2HD1 LEU 26 -3.664 0.616 2.063 183 HD13 LEU 26 3HD1 LEU 26 -2.015 0.390 1.479 184 HD21 LEU 26 1HD2 LEU 26 -2.261 -2.183 4.042 185 HD22 LEU 26 2HD2 LEU 26 -1.117 -1.720 2.782 186 HD23 LEU 26 3HD2 LEU 26 -2.838 -1.837 2.411 187 H THR 27 H THR 27 0.195 -1.871 6.624 188 HA THR 27 HA THR 27 2.736 -0.480 7.141 189 HB THR 27 HB THR 27 3.270 -2.254 8.717 190 HG1 THR 27 1HG THR 27 0.986 -3.420 7.587 191 HG21 THR 27 1HG2 THR 27 0.613 -1.850 9.759 192 HG22 THR 27 2HG2 THR 27 1.227 -0.365 9.033 193 HG23 THR 27 3HG2 THR 27 2.144 -1.169 10.306 194 H TRP 28 H TRP 28 4.722 -1.759 6.812 195 HA TRP 28 HA TRP 28 4.690 -4.062 5.132 196 HB2 TRP 28 1HB TRP 28 5.515 -3.140 3.093 197 HB3 TRP 28 2HB TRP 28 4.091 -2.200 3.529 198 HD1 TRP 28 HD TRP 28 7.949 -1.922 3.681 199 HE1 TRP 28 1HE TRP 28 8.572 0.572 3.554 200 HE3 TRP 28 3HE TRP 28 3.252 0.094 3.766 201 HZ2 TRP 28 2HZ TRP 28 7.249 3.064 3.499 202 HZ3 TRP 28 3HZ TRP 28 3.017 2.542 3.673 203 HH2 TRP 28 HH TRP 28 4.976 3.994 3.543 204 H THR 29 H THR 29 6.822 -4.867 4.676 205 HA THR 29 HA THR 29 8.739 -4.033 6.698 206 HB THR 29 HB THR 29 8.774 -6.385 4.797 207 HG1 THR 29 1HG THR 29 8.533 -6.542 7.602 208 HG21 THR 29 1HG2 THR 29 10.859 -6.875 5.446 209 HG22 THR 29 2HG2 THR 29 10.490 -6.542 7.139 210 HG23 THR 29 3HG2 THR 29 10.948 -5.225 6.060 211 H GLU 30 H GLU 30 9.932 -2.316 6.109 212 HA GLU 30 HA GLU 30 10.594 -1.508 3.544 213 HB2 GLU 30 1HB GLU 30 11.724 -0.990 6.251 214 HB3 GLU 30 2HB GLU 30 12.678 -0.498 4.859 215 HG2 GLU 30 1HG GLU 30 10.750 0.807 4.042 216 HG3 GLU 30 2HG GLU 30 9.872 0.374 5.508 217 HA PRO 31 HA PRO 31 13.568 -4.463 2.175 218 HB2 PRO 31 1HB PRO 31 14.665 -3.005 0.165 219 HB3 PRO 31 2HB PRO 31 13.065 -3.746 0.051 220 HG2 PRO 31 1HG PRO 31 13.800 -0.916 0.691 221 HG3 PRO 31 2HG PRO 31 12.514 -1.526 -0.367 222 HD2 PRO 31 1HD PRO 31 12.038 -0.661 2.155 223 HD3 PRO 31 2HD PRO 31 11.096 -1.962 1.398 224 HA PRO 32 HA PRO 32 17.533 -3.561 3.847 225 HB2 PRO 32 1HB PRO 32 19.239 -4.653 2.040 226 HB3 PRO 32 2HB PRO 32 18.230 -5.625 3.117 227 HG2 PRO 32 1HG PRO 32 17.787 -4.905 0.246 228 HG3 PRO 32 2HG PRO 32 17.547 -6.462 1.058 229 HD2 PRO 32 1HD PRO 32 15.500 -4.779 0.503 230 HD3 PRO 32 2HD PRO 32 15.506 -5.837 1.928 231 H VAL 33 H VAL 33 16.931 -2.535 0.559 232 HA VAL 33 HA VAL 33 19.101 -0.559 0.758 233 HB VAL 33 HB VAL 33 17.584 -1.527 -1.668 234 HG11 VAL 33 1HG1 VAL 33 19.083 -0.143 -2.981 235 HG12 VAL 33 2HG1 VAL 33 18.186 0.853 -1.833 236 HG13 VAL 33 3HG1 VAL 33 19.870 0.435 -1.513 237 HG21 VAL 33 1HG2 VAL 33 20.428 -1.957 -0.763 238 HG22 VAL 33 2HG2 VAL 33 19.157 -3.174 -0.870 239 HG23 VAL 33 3HG2 VAL 33 19.790 -2.430 -2.338 240 H ARG 34 H ARG 34 18.205 1.119 1.866 241 HA ARG 34 HA ARG 34 15.593 2.040 1.736 242 HB2 ARG 34 1HB ARG 34 17.204 2.755 3.447 243 HB3 ARG 34 2HB ARG 34 18.103 3.652 2.230 244 HG2 ARG 34 1HG ARG 34 16.361 5.223 1.962 245 HG3 ARG 34 2HG ARG 34 15.224 4.223 2.868 246 HD2 ARG 34 1HD ARG 34 17.727 5.137 4.202 247 HD3 ARG 34 2HD ARG 34 16.409 6.288 3.985 248 HE ARG 34 HE ARG 34 15.204 4.113 5.083 249 HH11 ARG 34 2HH1 ARG 34 17.924 6.095 5.974 250 HH12 ARG 34 1HH1 ARG 34 17.707 5.856 7.676 251 HH21 ARG 34 2HH2 ARG 34 14.908 3.791 7.321 252 HH22 ARG 34 1HH2 ARG 34 15.991 4.545 8.441 253 HA PRO 35 HA PRO 35 15.681 3.521 -2.507 254 HB2 PRO 35 1HB PRO 35 13.012 3.997 -2.638 255 HB3 PRO 35 2HB PRO 35 13.709 2.382 -2.812 256 HG2 PRO 35 1HG PRO 35 12.452 3.653 -0.411 257 HG3 PRO 35 2HG PRO 35 12.255 2.006 -1.037 258 HD2 PRO 35 1HD PRO 35 13.877 2.586 1.052 259 HD3 PRO 35 2HD PRO 35 14.228 1.276 -0.094 260 H ALA 36 H ALA 36 15.260 5.539 -3.538 261 HA ALA 36 HA ALA 36 15.863 7.806 -2.045 262 HB1 ALA 36 1HB ALA 36 15.632 7.218 -4.720 263 HB2 ALA 36 2HB ALA 36 14.350 8.403 -4.460 264 HB3 ALA 36 3HB ALA 36 16.016 8.799 -4.038 265 H GLY 37 H GLY 37 12.705 6.887 -3.441 266 HA2 GLY 37 1HA GLY 37 11.382 8.190 -1.185 267 HA3 GLY 37 2HA GLY 37 11.023 8.817 -2.787 268 H TYR 38 H TYR 38 8.992 7.861 -1.244 269 HA TYR 38 HA TYR 38 8.363 5.262 -2.485 270 HB2 TYR 38 1HB TYR 38 7.830 6.352 0.232 271 HB3 TYR 38 2HB TYR 38 6.594 5.324 -0.484 272 HD1 TYR 38 2HD TYR 38 7.825 3.179 -1.754 273 HD2 TYR 38 1HD TYR 38 9.199 5.241 1.705 274 HE1 TYR 38 2HE TYR 38 9.087 1.181 -1.072 275 HE2 TYR 38 1HE TYR 38 10.466 3.249 2.396 276 HH TYR 38 HH TYR 38 10.505 0.876 2.040 277 H LEU 39 H LEU 39 6.661 5.166 -3.808 278 HA LEU 39 HA LEU 39 4.874 7.505 -3.923 279 HB2 LEU 39 1HB LEU 39 6.363 7.009 -5.907 280 HB3 LEU 39 2HB LEU 39 5.401 5.552 -6.150 281 HG LEU 39 HG LEU 39 4.019 8.194 -6.042 282 HD11 LEU 39 1HD1 LEU 39 4.380 8.534 -8.415 283 HD12 LEU 39 2HD1 LEU 39 5.433 7.121 -8.479 284 HD13 LEU 39 3HD1 LEU 39 5.920 8.542 -7.554 285 HD21 LEU 39 1HD2 LEU 39 3.549 5.477 -7.172 286 HD22 LEU 39 2HD2 LEU 39 2.784 6.868 -7.942 287 HD23 LEU 39 3HD2 LEU 39 2.469 6.516 -6.242 288 H LEU 40 H LEU 40 3.253 6.840 -2.569 289 HA LEU 40 HA LEU 40 2.035 4.222 -2.988 290 HB2 LEU 40 1HB LEU 40 2.497 5.007 -0.700 291 HB3 LEU 40 2HB LEU 40 1.400 6.362 -0.960 292 HG LEU 40 HG LEU 40 -0.364 4.501 -1.410 293 HD11 LEU 40 1HD1 LEU 40 1.944 2.996 -0.400 294 HD12 LEU 40 2HD1 LEU 40 0.554 2.455 -1.342 295 HD13 LEU 40 3HD1 LEU 40 0.414 2.646 0.405 296 HD21 LEU 40 1HD2 LEU 40 -1.150 5.276 0.513 297 HD22 LEU 40 2HD2 LEU 40 0.433 5.978 0.850 298 HD23 LEU 40 3HD2 LEU 40 0.050 4.351 1.415 299 H SER 41 H SER 41 0.492 4.031 -4.458 300 HA SER 41 HA SER 41 -1.327 6.310 -4.893 301 HB2 SER 41 1HB SER 41 0.206 5.722 -6.819 302 HB3 SER 41 2HB SER 41 -0.649 4.184 -6.932 303 HG SER 41 HG SER 41 -2.178 6.516 -6.893 304 H PHE 42 H PHE 42 -3.333 5.959 -4.242 305 HA PHE 42 HA PHE 42 -4.352 3.193 -4.245 306 HB2 PHE 42 1HB PHE 42 -5.436 3.525 -2.209 307 HB3 PHE 42 2HB PHE 42 -3.920 4.389 -1.976 308 HD1 PHE 42 1HD PHE 42 -7.513 4.789 -2.694 309 HD2 PHE 42 2HD PHE 42 -3.881 6.724 -1.609 310 HE1 PHE 42 1HE PHE 42 -8.770 6.830 -2.139 311 HE2 PHE 42 2HE PHE 42 -5.132 8.768 -1.052 312 HZ PHE 42 HZ PHE 42 -7.580 8.823 -1.316 313 H HIS 43 H HIS 43 -6.042 2.851 -5.519 314 HA HIS 43 HA HIS 43 -7.765 5.137 -6.218 315 HB2 HIS 43 1HB HIS 43 -7.829 4.524 -8.460 316 HB3 HIS 43 2HB HIS 43 -6.153 4.190 -8.034 317 HD1 HIS 43 1HD HIS 43 -6.437 1.436 -6.745 318 HD2 HIS 43 2HD HIS 43 -8.374 2.554 -10.246 319 HE1 HIS 43 1HE HIS 43 -6.950 -0.714 -7.946 320 HE2 HIS 43 2HE HIS 43 -8.046 -0.007 -10.101 321 H THR 44 H THR 44 -9.967 4.734 -6.449 322 HA THR 44 HA THR 44 -10.910 2.393 -5.006 323 HB THR 44 HB THR 44 -12.104 4.182 -4.216 324 HG1 THR 44 1HG THR 44 -14.159 4.229 -5.636 325 HG21 THR 44 1HG2 THR 44 -11.727 5.298 -6.953 326 HG22 THR 44 2HG2 THR 44 -11.414 6.035 -5.382 327 HG23 THR 44 3HG2 THR 44 -13.068 5.898 -5.978 328 HA PRO 45 HA PRO 45 -12.147 0.098 -8.549 329 HB2 PRO 45 1HB PRO 45 -14.173 -1.352 -7.471 330 HB3 PRO 45 2HB PRO 45 -12.471 -1.668 -7.115 331 HG2 PRO 45 1HG PRO 45 -14.494 -0.159 -5.505 332 HG3 PRO 45 2HG PRO 45 -13.279 -1.331 -4.961 333 HD2 PRO 45 1HD PRO 45 -12.932 1.344 -4.724 334 HD3 PRO 45 2HD PRO 45 -11.580 0.226 -4.995 335 H GLY 46 H GLY 46 -14.077 2.463 -7.110 336 HA2 GLY 46 1HA GLY 46 -15.907 2.393 -9.418 337 HA3 GLY 46 2HA GLY 46 -16.552 2.583 -7.794 338 H GLY 47 H GLY 47 -13.517 4.037 -8.695 339 HA2 GLY 47 1HA GLY 47 -14.782 6.622 -9.193 340 HA3 GLY 47 2HA GLY 47 -13.769 6.500 -7.762 341 H GLN 48 H GLN 48 -11.949 7.568 -8.180 342 HA GLN 48 HA GLN 48 -10.584 7.014 -10.732 343 HB2 GLN 48 1HB GLN 48 -9.595 9.265 -10.572 344 HB3 GLN 48 2HB GLN 48 -11.350 9.320 -10.665 345 HG2 GLN 48 1HG GLN 48 -11.184 9.385 -8.056 346 HG3 GLN 48 2HG GLN 48 -9.550 9.959 -8.384 347 HE21 GLN 48 1HE2 GLN 48 -10.091 11.960 -7.446 348 HE22 GLN 48 2HE2 GLN 48 -11.033 13.127 -8.303 349 H THR 49 H THR 49 -8.136 7.913 -10.368 350 HA THR 49 HA THR 49 -7.140 6.364 -8.070 351 HB THR 49 HB THR 49 -5.766 7.010 -10.686 352 HG1 THR 49 1HG THR 49 -7.501 5.240 -10.360 353 HG21 THR 49 1HG2 THR 49 -3.815 6.422 -9.777 354 HG22 THR 49 2HG2 THR 49 -4.518 4.963 -9.078 355 HG23 THR 49 3HG2 THR 49 -4.601 6.490 -8.200 356 H GLN 50 H GLN 50 -5.738 7.260 -6.637 357 HA GLN 50 HA GLN 50 -4.891 10.037 -7.125 358 HB2 GLN 50 1HB GLN 50 -6.717 10.113 -5.551 359 HB3 GLN 50 2HB GLN 50 -5.981 8.853 -4.569 360 HG2 GLN 50 1HG GLN 50 -5.427 10.711 -3.368 361 HG3 GLN 50 2HG GLN 50 -4.005 10.552 -4.398 362 HE21 GLN 50 1HE2 GLN 50 -3.381 12.613 -4.609 363 HE22 GLN 50 2HE2 GLN 50 -4.356 13.878 -5.268 364 H GLU 51 H GLU 51 -2.869 10.627 -6.377 365 HA GLU 51 HA GLU 51 -1.192 8.407 -5.403 366 HB2 GLU 51 1HB GLU 51 -0.533 10.697 -7.251 367 HB3 GLU 51 2HB GLU 51 0.706 9.721 -6.475 368 HG2 GLU 51 1HG GLU 51 -0.212 7.720 -7.554 369 HG3 GLU 51 2HG GLU 51 -1.420 8.722 -8.357 370 H ILE 52 H ILE 52 0.551 8.955 -3.968 371 HA ILE 52 HA ILE 52 0.368 11.560 -2.651 372 HB ILE 52 HB ILE 52 0.322 8.983 -1.080 373 HG12 ILE 52 1HG1 ILE 52 -1.933 10.966 -1.416 374 HG13 ILE 52 2HG1 ILE 52 -1.805 9.480 -2.350 375 HG21 ILE 52 1HG2 ILE 52 -0.500 11.009 0.565 376 HG22 ILE 52 2HG2 ILE 52 1.129 10.340 0.504 377 HG23 ILE 52 3HG2 ILE 52 0.739 11.794 -0.413 378 HD11 ILE 52 1HD1 ILE 52 -2.614 8.252 -0.685 379 HD12 ILE 52 2HD1 ILE 52 -1.578 9.034 0.510 380 HD13 ILE 52 3HD1 ILE 52 -3.106 9.781 0.043 381 H LEU 53 H LEU 53 2.338 12.380 -2.481 382 HA LEU 53 HA LEU 53 4.671 10.768 -2.910 383 HB2 LEU 53 1HB LEU 53 4.702 12.948 -3.826 384 HB3 LEU 53 2HB LEU 53 4.242 13.677 -2.288 385 HG LEU 53 HG LEU 53 6.472 13.014 -1.386 386 HD11 LEU 53 1HD1 LEU 53 6.601 11.658 -3.929 387 HD12 LEU 53 2HD1 LEU 53 7.641 11.501 -2.514 388 HD13 LEU 53 3HD1 LEU 53 7.969 12.750 -3.715 389 HD21 LEU 53 1HD2 LEU 53 5.863 15.259 -2.465 390 HD22 LEU 53 2HD2 LEU 53 6.810 14.701 -3.844 391 HD23 LEU 53 3HD2 LEU 53 7.572 14.876 -2.263 392 H LEU 54 H LEU 54 5.650 9.619 -1.393 393 HA LEU 54 HA LEU 54 5.214 10.244 1.418 394 HB2 LEU 54 1HB LEU 54 6.591 7.920 0.082 395 HB3 LEU 54 2HB LEU 54 6.361 8.090 1.821 396 HG LEU 54 HG LEU 54 4.435 7.303 -0.288 397 HD11 LEU 54 1HD1 LEU 54 5.566 6.207 2.048 398 HD12 LEU 54 2HD1 LEU 54 4.379 5.479 0.966 399 HD13 LEU 54 3HD1 LEU 54 3.842 6.418 2.359 400 HD21 LEU 54 1HD2 LEU 54 3.428 9.367 0.485 401 HD22 LEU 54 2HD2 LEU 54 3.631 8.866 2.164 402 HD23 LEU 54 3HD2 LEU 54 2.527 7.984 1.107 403 HA PRO 55 HA PRO 55 9.116 12.132 2.123 404 HB2 PRO 55 1HB PRO 55 9.612 11.343 4.672 405 HB3 PRO 55 2HB PRO 55 8.387 12.549 4.261 406 HG2 PRO 55 1HG PRO 55 8.051 9.635 4.856 407 HG3 PRO 55 2HG PRO 55 7.072 11.008 5.403 408 HD2 PRO 55 1HD PRO 55 6.317 9.404 3.356 409 HD3 PRO 55 2HD PRO 55 5.908 11.130 3.417 410 H GLY 56 H GLY 56 8.744 8.769 2.000 411 HA2 GLY 56 1HA GLY 56 10.221 7.068 1.561 412 HA3 GLY 56 2HA GLY 56 11.391 8.312 1.148 413 H GLY 57 H GLY 57 10.328 6.063 3.533 414 HA2 GLY 57 1HA GLY 57 12.394 5.357 4.882 415 HA3 GLY 57 2HA GLY 57 12.380 7.033 5.413 416 H ILE 58 H ILE 58 9.507 5.084 4.872 417 HA ILE 58 HA ILE 58 9.080 4.976 7.783 418 HB ILE 58 HB ILE 58 6.867 5.693 7.639 419 HG12 ILE 58 1HG1 ILE 58 7.061 5.298 4.646 420 HG13 ILE 58 2HG1 ILE 58 6.146 4.307 5.777 421 HG21 ILE 58 1HG2 ILE 58 8.851 7.343 6.787 422 HG22 ILE 58 2HG2 ILE 58 7.682 7.495 5.476 423 HG23 ILE 58 3HG2 ILE 58 7.200 7.854 7.134 424 HD11 ILE 58 1HD1 ILE 58 5.595 7.122 4.906 425 HD12 ILE 58 2HD1 ILE 58 4.581 5.692 4.715 426 HD13 ILE 58 3HD1 ILE 58 4.824 6.394 6.314 427 H THR 59 H THR 59 7.442 3.363 8.433 428 HA THR 59 HA THR 59 7.562 1.011 6.664 429 HB THR 59 HB THR 59 7.094 -0.281 8.810 430 HG1 THR 59 1HG THR 59 8.218 1.739 10.313 431 HG21 THR 59 1HG2 THR 59 9.462 -0.142 9.560 432 HG22 THR 59 2HG2 THR 59 9.671 1.263 8.515 433 HG23 THR 59 3HG2 THR 59 9.290 -0.309 7.814 434 H SER 60 H SER 60 5.490 3.370 7.652 435 HA SER 60 HA SER 60 3.191 1.977 6.694 436 HB2 SER 60 1HB SER 60 1.855 1.964 8.698 437 HB3 SER 60 2HB SER 60 3.362 1.120 9.051 438 HG SER 60 HG SER 60 4.046 2.805 10.245 439 H HIS 61 H HIS 61 1.409 3.355 6.335 440 HA HIS 61 HA HIS 61 1.871 6.206 6.885 441 HB2 HIS 61 1HB HIS 61 2.374 5.292 4.449 442 HB3 HIS 61 2HB HIS 61 0.625 5.420 4.287 443 HD1 HIS 61 1HD HIS 61 0.913 7.331 2.551 444 HD2 HIS 61 2HD HIS 61 2.435 8.192 6.319 445 HE1 HIS 61 1HE HIS 61 1.326 9.811 2.558 446 HE2 HIS 61 2HE HIS 61 2.326 10.296 4.819 447 H GLN 62 H GLN 62 0.039 7.452 7.219 448 HA GLN 62 HA GLN 62 -2.393 5.913 7.761 449 HB2 GLN 62 1HB GLN 62 -1.452 7.254 9.601 450 HB3 GLN 62 2HB GLN 62 -1.630 8.707 8.628 451 HG2 GLN 62 1HG GLN 62 -3.411 8.480 10.283 452 HG3 GLN 62 2HG GLN 62 -4.032 8.462 8.633 453 HE21 GLN 62 1HE2 GLN 62 -4.649 6.427 7.725 454 HE22 GLN 62 2HE2 GLN 62 -5.169 5.139 8.752 455 H LEU 63 H LEU 63 -3.653 5.811 6.001 456 HA LEU 63 HA LEU 63 -3.846 8.000 4.136 457 HB2 LEU 63 1HB LEU 63 -5.139 5.300 4.336 458 HB3 LEU 63 2HB LEU 63 -5.650 6.481 3.132 459 HG LEU 63 HG LEU 63 -2.886 5.292 3.372 460 HD11 LEU 63 1HD1 LEU 63 -4.430 4.825 0.943 461 HD12 LEU 63 2HD1 LEU 63 -5.139 4.091 2.381 462 HD13 LEU 63 3HD1 LEU 63 -3.481 3.704 1.920 463 HD21 LEU 63 1HD2 LEU 63 -3.955 7.586 1.922 464 HD22 LEU 63 2HD2 LEU 63 -3.135 6.420 0.884 465 HD23 LEU 63 3HD2 LEU 63 -2.284 7.132 2.255 466 H LEU 64 H LEU 64 -5.451 9.469 3.943 467 HA LEU 64 HA LEU 64 -7.689 9.284 5.851 468 HB2 LEU 64 1HB LEU 64 -6.108 11.686 4.970 469 HB3 LEU 64 2HB LEU 64 -7.663 11.809 5.788 470 HG LEU 64 HG LEU 64 -6.681 10.626 7.734 471 HD11 LEU 64 1HD1 LEU 64 -4.898 9.369 7.074 472 HD12 LEU 64 2HD1 LEU 64 -4.048 10.802 7.651 473 HD13 LEU 64 3HD1 LEU 64 -4.325 10.578 5.924 474 HD21 LEU 64 1HD2 LEU 64 -5.800 12.539 8.644 475 HD22 LEU 64 2HD2 LEU 64 -6.663 13.203 7.257 476 HD23 LEU 64 3HD2 LEU 64 -4.917 12.963 7.178 477 H GLY 65 H GLY 65 -9.666 10.392 5.189 478 HA2 GLY 65 1HA GLY 65 -11.298 10.969 3.670 479 HA3 GLY 65 2HA GLY 65 -10.021 11.287 2.505 480 H LEU 66 H LEU 66 -11.942 8.705 3.975 481 HA LEU 66 HA LEU 66 -11.687 7.211 1.452 482 HB2 LEU 66 1HB LEU 66 -11.848 5.956 4.185 483 HB3 LEU 66 2HB LEU 66 -11.608 5.133 2.645 484 HG LEU 66 HG LEU 66 -9.628 7.010 3.936 485 HD11 LEU 66 1HD1 LEU 66 -10.189 4.203 4.355 486 HD12 LEU 66 2HD1 LEU 66 -9.109 5.284 5.236 487 HD13 LEU 66 3HD1 LEU 66 -8.541 4.465 3.781 488 HD21 LEU 66 1HD2 LEU 66 -9.019 5.103 1.722 489 HD22 LEU 66 2HD2 LEU 66 -8.196 6.594 2.181 490 HD23 LEU 66 3HD2 LEU 66 -9.752 6.664 1.353 491 H PHE 67 H PHE 67 -13.441 5.396 1.423 492 HA PHE 67 HA PHE 67 -15.983 6.661 2.195 493 HB2 PHE 67 1HB PHE 67 -15.355 4.742 -0.056 494 HB3 PHE 67 2HB PHE 67 -16.977 5.289 0.356 495 HD1 PHE 67 2HD PHE 67 -16.482 8.139 0.930 496 HD2 PHE 67 1HD PHE 67 -14.973 5.634 -2.162 497 HE1 PHE 67 2HE PHE 67 -16.185 10.108 -0.514 498 HE2 PHE 67 1HE PHE 67 -14.672 7.599 -3.612 499 HZ PHE 67 HZ PHE 67 -15.279 9.840 -2.789 500 HA PRO 68 HA PRO 68 -16.975 3.317 4.861 501 HB2 PRO 68 1HB PRO 68 -19.678 3.260 4.616 502 HB3 PRO 68 2HB PRO 68 -18.819 4.534 5.491 503 HG2 PRO 68 1HG PRO 68 -19.917 4.556 2.706 504 HG3 PRO 68 2HG PRO 68 -19.992 5.820 3.948 505 HD2 PRO 68 1HD PRO 68 -18.208 5.882 1.912 506 HD3 PRO 68 2HD PRO 68 -17.846 6.544 3.519 507 H SER 69 H SER 69 -16.907 1.168 4.659 508 HA SER 69 HA SER 69 -16.883 -0.892 3.677 509 HB2 SER 69 1HB SER 69 -19.304 -0.610 4.250 510 HB3 SER 69 2HB SER 69 -19.580 -0.029 2.608 511 HG SER 69 HG SER 69 -18.446 -2.554 3.230 512 H THR 70 H THR 70 -15.653 1.215 2.160 513 HA THR 70 HA THR 70 -16.207 0.362 -0.603 514 HB THR 70 HB THR 70 -14.764 2.842 0.355 515 HG1 THR 70 1HG THR 70 -16.808 3.647 -0.885 516 HG21 THR 70 1HG2 THR 70 -15.734 2.494 -2.436 517 HG22 THR 70 2HG2 THR 70 -14.251 1.663 -1.965 518 HG23 THR 70 3HG2 THR 70 -14.363 3.417 -1.823 519 H SER 71 H SER 71 -14.790 -0.945 -1.542 520 HA SER 71 HA SER 71 -12.349 -1.677 -0.252 521 HB2 SER 71 1HB SER 71 -13.693 -3.283 -1.572 522 HB3 SER 71 2HB SER 71 -13.325 -2.369 -3.035 523 HG SER 71 HG SER 71 -11.222 -2.973 -2.893 524 H TYR 72 H TYR 72 -10.283 -1.109 -0.706 525 HA TYR 72 HA TYR 72 -9.836 0.768 -2.928 526 HB2 TYR 72 1HB TYR 72 -9.038 1.043 -0.045 527 HB3 TYR 72 2HB TYR 72 -8.094 1.823 -1.310 528 HD1 TYR 72 2HD TYR 72 -9.126 3.586 -2.712 529 HD2 TYR 72 1HD TYR 72 -11.174 1.890 0.609 530 HE1 TYR 72 2HE TYR 72 -10.697 5.478 -2.721 531 HE2 TYR 72 1HE TYR 72 -12.751 3.777 0.608 532 HH TYR 72 HH TYR 72 -12.388 6.477 -0.456 533 H ASN 73 H ASN 73 -7.813 0.680 -3.918 534 HA ASN 73 HA ASN 73 -6.172 -1.657 -3.186 535 HB2 ASN 73 1HB ASN 73 -7.490 -1.754 -5.382 536 HB3 ASN 73 2HB ASN 73 -6.379 -0.522 -5.972 537 HD21 ASN 73 1HD2 ASN 73 -4.223 -1.047 -6.312 538 HD22 ASN 73 2HD2 ASN 73 -3.682 -2.685 -6.409 539 H ALA 74 H ALA 74 -4.419 -0.903 -2.178 540 HA ALA 74 HA ALA 74 -3.166 1.572 -3.120 541 HB1 ALA 74 1HB ALA 74 -3.567 1.556 -0.770 542 HB2 ALA 74 2HB ALA 74 -2.802 -0.024 -0.593 543 HB3 ALA 74 3HB ALA 74 -1.829 1.384 -1.015 544 H ARG 75 H ARG 75 -0.835 1.660 -3.365 545 HA ARG 75 HA ARG 75 0.514 -0.887 -3.820 546 HB2 ARG 75 1HB ARG 75 -0.592 -0.170 -5.971 547 HB3 ARG 75 2HB ARG 75 0.452 1.245 -5.957 548 HG2 ARG 75 1HG ARG 75 2.418 -0.232 -6.010 549 HG3 ARG 75 2HG ARG 75 1.342 -1.628 -6.090 550 HD2 ARG 75 1HD ARG 75 0.982 0.543 -8.089 551 HD3 ARG 75 2HD ARG 75 2.372 -0.527 -8.267 552 HE ARG 75 HE ARG 75 0.126 -2.124 -7.874 553 HH11 ARG 75 2HH1 ARG 75 1.358 0.122 -10.231 554 HH12 ARG 75 1HH1 ARG 75 0.555 -0.636 -11.566 555 HH21 ARG 75 2HH2 ARG 75 -0.937 -3.132 -9.623 556 HH22 ARG 75 1HH2 ARG 75 -0.750 -2.486 -11.219 557 H LEU 76 H LEU 76 2.523 -0.816 -3.057 558 HA LEU 76 HA LEU 76 3.690 1.808 -2.455 559 HB2 LEU 76 1HB LEU 76 3.342 0.098 -0.638 560 HB3 LEU 76 2HB LEU 76 4.579 -0.878 -1.428 561 HG LEU 76 HG LEU 76 6.159 1.059 -1.091 562 HD11 LEU 76 1HD1 LEU 76 4.138 2.011 0.916 563 HD12 LEU 76 2HD1 LEU 76 4.250 2.690 -0.707 564 HD13 LEU 76 3HD1 LEU 76 5.625 2.801 0.391 565 HD21 LEU 76 1HD2 LEU 76 6.215 -0.933 0.312 566 HD22 LEU 76 2HD2 LEU 76 4.977 -0.242 1.361 567 HD23 LEU 76 3HD2 LEU 76 6.568 0.513 1.258 568 H GLN 77 H GLN 77 4.952 2.508 -4.058 569 HA GLN 77 HA GLN 77 6.899 0.616 -5.202 570 HB2 GLN 77 1HB GLN 77 4.956 1.554 -6.692 571 HB3 GLN 77 2HB GLN 77 5.948 3.005 -6.737 572 HG2 GLN 77 1HG GLN 77 7.825 1.264 -7.392 573 HG3 GLN 77 2HG GLN 77 6.428 0.336 -7.934 574 HE21 GLN 77 1HE2 GLN 77 7.955 0.851 -9.904 575 HE22 GLN 77 2HE2 GLN 77 7.439 2.194 -10.860 576 H ALA 78 H ALA 78 8.916 1.106 -4.684 577 HA ALA 78 HA ALA 78 9.557 3.796 -3.755 578 HB1 ALA 78 1HB ALA 78 10.545 1.130 -3.213 579 HB2 ALA 78 2HB ALA 78 11.857 2.259 -3.558 580 HB3 ALA 78 3HB ALA 78 10.709 2.609 -2.266 581 H MET 79 H MET 79 11.091 5.117 -4.682 582 HA MET 79 HA MET 79 11.677 4.568 -7.477 583 HB2 MET 79 1HB MET 79 12.263 7.049 -5.852 584 HB3 MET 79 2HB MET 79 12.354 6.900 -7.602 585 HG2 MET 79 1HG MET 79 9.890 6.347 -7.552 586 HG3 MET 79 2HG MET 79 9.908 6.854 -5.864 587 HE1 MET 79 1HE MET 79 10.436 10.618 -5.959 588 HE2 MET 79 2HE MET 79 9.784 9.247 -5.063 589 HE3 MET 79 3HE MET 79 11.503 9.307 -5.455 590 H TRP 80 H TRP 80 13.531 3.705 -8.110 591 HA TRP 80 HA TRP 80 15.894 4.026 -6.378 592 HB2 TRP 80 1HB TRP 80 14.851 1.666 -7.889 593 HB3 TRP 80 2HB TRP 80 16.592 1.834 -7.676 594 HD1 TRP 80 HD TRP 80 17.540 1.665 -5.155 595 HE1 TRP 80 1HE TRP 80 16.557 0.569 -3.044 596 HE3 TRP 80 3HE TRP 80 12.684 1.182 -6.678 597 HZ2 TRP 80 2HZ TRP 80 14.054 -0.376 -2.144 598 HZ3 TRP 80 3HZ TRP 80 11.058 0.171 -5.132 599 HH2 TRP 80 HH TRP 80 11.731 -0.592 -2.913 600 H GLY 81 H GLY 81 17.974 4.071 -7.467 601 HA2 GLY 81 1HA GLY 81 18.268 5.958 -9.398 602 HA3 GLY 81 2HA GLY 81 19.421 4.651 -9.171 603 H GLN 82 H GLN 82 17.468 6.136 -11.377 604 HA GLN 82 HA GLN 82 16.418 5.468 -13.329 605 HB2 GLN 82 1HB GLN 82 18.940 5.717 -13.706 606 HB3 GLN 82 2HB GLN 82 18.995 3.960 -13.718 607 HG2 GLN 82 1HG GLN 82 18.891 4.975 -15.969 608 HG3 GLN 82 2HG GLN 82 17.569 3.860 -15.631 609 HE21 GLN 82 1HE2 GLN 82 18.461 7.085 -16.374 610 HE22 GLN 82 2HE2 GLN 82 16.865 7.739 -16.483 611 H SER 83 H SER 83 15.646 3.753 -11.223 612 HA SER 83 HA SER 83 14.862 1.442 -12.761 613 HB2 SER 83 1HB SER 83 16.643 1.171 -10.336 614 HB3 SER 83 2HB SER 83 15.651 -0.153 -10.948 615 HG SER 83 HG SER 83 17.550 -0.417 -11.966 616 H LEU 84 H LEU 84 13.155 0.235 -11.765 617 HA LEU 84 HA LEU 84 11.963 1.452 -9.380 618 HB2 LEU 84 1HB LEU 84 10.410 0.833 -11.886 619 HB3 LEU 84 2HB LEU 84 9.778 1.531 -10.397 620 HG LEU 84 HG LEU 84 11.908 2.988 -11.897 621 HD11 LEU 84 1HD1 LEU 84 8.989 2.903 -12.637 622 HD12 LEU 84 2HD1 LEU 84 10.364 2.465 -13.651 623 HD13 LEU 84 3HD1 LEU 84 10.119 4.146 -13.176 624 HD21 LEU 84 1HD2 LEU 84 10.361 4.888 -11.044 625 HD22 LEU 84 2HD2 LEU 84 11.412 4.050 -9.903 626 HD23 LEU 84 3HD2 LEU 84 9.699 3.639 -9.989 627 H LEU 85 H LEU 85 12.047 -0.211 -7.999 628 HA LEU 85 HA LEU 85 11.914 -2.933 -8.717 629 HB2 LEU 85 1HB LEU 85 11.403 -1.595 -6.065 630 HB3 LEU 85 2HB LEU 85 11.595 -3.331 -6.295 631 HG LEU 85 HG LEU 85 13.685 -1.188 -6.634 632 HD11 LEU 85 1HD1 LEU 85 12.899 -2.513 -4.394 633 HD12 LEU 85 2HD1 LEU 85 14.513 -1.854 -4.662 634 HD13 LEU 85 3HD1 LEU 85 14.190 -3.557 -4.987 635 HD21 LEU 85 1HD2 LEU 85 14.412 -2.522 -8.310 636 HD22 LEU 85 2HD2 LEU 85 13.531 -3.932 -7.721 637 HD23 LEU 85 3HD2 LEU 85 15.055 -3.465 -6.966 638 HA PRO 86 HA PRO 86 7.621 -3.764 -9.108 639 HB2 PRO 86 1HB PRO 86 7.487 -6.293 -8.131 640 HB3 PRO 86 2HB PRO 86 8.212 -5.905 -9.695 641 HG2 PRO 86 1HG PRO 86 9.545 -6.400 -7.061 642 HG3 PRO 86 2HG PRO 86 10.004 -6.978 -8.673 643 HD2 PRO 86 1HD PRO 86 11.216 -4.871 -7.480 644 HD3 PRO 86 2HD PRO 86 11.008 -4.982 -9.240 645 HA PRO 87 HA PRO 87 6.268 -2.571 -4.969 646 HB2 PRO 87 1HB PRO 87 3.862 -1.615 -5.788 647 HB3 PRO 87 2HB PRO 87 5.362 -0.691 -5.931 648 HG2 PRO 87 1HG PRO 87 3.918 -2.290 -8.009 649 HG3 PRO 87 2HG PRO 87 4.675 -0.693 -8.152 650 HD2 PRO 87 1HD PRO 87 5.873 -2.956 -9.030 651 HD3 PRO 87 2HD PRO 87 6.790 -1.577 -8.391 652 H VAL 88 H VAL 88 3.990 -2.895 -3.897 653 HA VAL 88 HA VAL 88 2.984 -5.570 -4.618 654 HB VAL 88 HB VAL 88 2.554 -5.854 -2.119 655 HG11 VAL 88 1HG1 VAL 88 4.219 -7.178 -3.188 656 HG12 VAL 88 2HG1 VAL 88 5.347 -5.821 -3.246 657 HG13 VAL 88 3HG1 VAL 88 4.925 -6.555 -1.698 658 HG21 VAL 88 1HG2 VAL 88 3.885 -4.579 -0.586 659 HG22 VAL 88 2HG2 VAL 88 4.667 -3.714 -1.908 660 HG23 VAL 88 3HG2 VAL 88 2.955 -3.454 -1.576 661 H SER 89 H SER 89 0.897 -5.560 -5.096 662 HA SER 89 HA SER 89 -0.762 -3.325 -4.182 663 HB2 SER 89 1HB SER 89 -2.297 -3.932 -5.961 664 HB3 SER 89 2HB SER 89 -0.665 -3.832 -6.622 665 HG SER 89 HG SER 89 -2.162 -6.150 -5.993 666 H THR 90 H THR 90 -2.494 -3.579 -2.879 667 HA THR 90 HA THR 90 -3.399 -6.288 -2.226 668 HB THR 90 HB THR 90 -1.714 -5.611 -0.514 669 HG1 THR 90 1HG THR 90 -3.883 -6.830 -0.157 670 HG21 THR 90 1HG2 THR 90 -1.911 -3.291 -0.300 671 HG22 THR 90 2HG2 THR 90 -2.637 -3.906 1.185 672 HG23 THR 90 3HG2 THR 90 -3.665 -3.361 -0.140 673 H SER 91 H SER 91 -5.514 -6.398 -1.345 674 HA SER 91 HA SER 91 -7.110 -3.972 -1.843 675 HB2 SER 91 1HB SER 91 -9.019 -5.655 -2.135 676 HB3 SER 91 2HB SER 91 -7.797 -5.615 -3.405 677 HG SER 91 HG SER 91 -7.569 -7.658 -3.010 678 H PHE 92 H PHE 92 -8.123 -3.082 -0.174 679 HA PHE 92 HA PHE 92 -8.759 -4.749 2.160 680 HB2 PHE 92 1HB PHE 92 -7.992 -3.027 3.680 681 HB3 PHE 92 2HB PHE 92 -6.677 -3.457 2.591 682 HD1 PHE 92 2HD PHE 92 -9.219 -0.903 3.356 683 HD2 PHE 92 1HD PHE 92 -5.731 -1.866 1.116 684 HE1 PHE 92 2HE PHE 92 -8.968 1.465 2.736 685 HE2 PHE 92 1HE PHE 92 -5.474 0.500 0.492 686 HZ PHE 92 HZ PHE 92 -7.095 2.169 1.301 687 H THR 93 H THR 93 -10.687 -4.335 3.128 688 HA THR 93 HA THR 93 -12.368 -2.288 1.850 689 HB THR 93 HB THR 93 -13.273 -4.697 3.437 690 HG1 THR 93 1HG THR 93 -12.661 -4.329 0.733 691 HG21 THR 93 1HG2 THR 93 -14.828 -2.866 1.607 692 HG22 THR 93 2HG2 THR 93 -14.844 -2.772 3.368 693 HG23 THR 93 3HG2 THR 93 -15.467 -4.208 2.555 694 H THR 94 H THR 94 -13.200 -0.655 3.007 695 HA THR 94 HA THR 94 -12.334 -0.299 5.730 696 HB THR 94 HB THR 94 -13.596 1.871 5.569 697 HG1 THR 94 1HG THR 94 -15.137 1.417 4.028 698 HG21 THR 94 1HG2 THR 94 -11.620 2.647 4.897 699 HG22 THR 94 2HG2 THR 94 -12.029 2.242 3.230 700 HG23 THR 94 3HG2 THR 94 -11.208 1.060 4.249 701 H GLY 95 H GLY 95 -13.774 0.221 7.502 702 HA2 GLY 95 1HA GLY 95 -15.927 -1.650 7.703 703 HA3 GLY 95 2HA GLY 95 -15.446 -0.482 8.926 704 H GLY 96 H GLY 96 -17.883 -0.469 9.132 705 HA2 GLY 96 1HA GLY 96 -19.104 1.318 7.130 706 HA3 GLY 96 2HA GLY 96 -19.994 0.252 8.207 707 H LEU 97 H LEU 97 -20.488 3.032 7.849 708 HA LEU 97 HA LEU 97 -19.358 4.495 10.034 709 HB2 LEU 97 1HB LEU 97 -21.632 5.008 8.142 710 HB3 LEU 97 2HB LEU 97 -21.256 6.106 9.468 711 HG LEU 97 HG LEU 97 -19.232 5.374 7.368 712 HD11 LEU 97 1HD1 LEU 97 -21.463 7.339 7.264 713 HD12 LEU 97 2HD1 LEU 97 -20.765 6.352 5.981 714 HD13 LEU 97 3HD1 LEU 97 -19.908 7.780 6.560 715 HD21 LEU 97 1HD2 LEU 97 -19.059 8.007 8.498 716 HD22 LEU 97 2HD2 LEU 97 -17.874 6.700 8.519 717 HD23 LEU 97 3HD2 LEU 97 -19.104 6.796 9.780 718 H ARG 98 H ARG 98 -19.776 3.225 11.870 719 HA ARG 98 HA ARG 98 -22.284 3.775 13.133 720 HB2 ARG 98 1HB ARG 98 -22.505 1.616 11.612 721 HB3 ARG 98 2HB ARG 98 -21.717 0.850 12.985 722 HG2 ARG 98 1HG ARG 98 -23.601 2.114 14.330 723 HG3 ARG 98 2HG ARG 98 -24.426 2.043 12.771 724 HD2 ARG 98 1HD ARG 98 -23.695 -0.470 12.843 725 HD3 ARG 98 2HD ARG 98 -23.576 -0.176 14.577 726 HE ARG 98 HE ARG 98 -25.860 -0.147 14.687 727 HH11 ARG 98 2HH1 ARG 98 -24.881 0.252 11.370 728 HH12 ARG 98 1HH1 ARG 98 -26.492 0.132 10.744 729 HH21 ARG 98 2HH2 ARG 98 -27.985 -0.307 13.875 730 HH22 ARG 98 1HH2 ARG 98 -28.257 -0.185 12.170 731 H ILE 99 H ILE 99 -22.270 3.308 15.378 732 HA ILE 99 HA ILE 99 -19.561 2.972 16.447 733 HB ILE 99 HB ILE 99 -22.042 4.011 17.822 734 HG12 ILE 99 1HG1 ILE 99 -21.528 5.727 16.363 735 HG13 ILE 99 2HG1 ILE 99 -20.513 6.156 17.735 736 HG21 ILE 99 1HG2 ILE 99 -20.815 4.345 19.723 737 HG22 ILE 99 2HG2 ILE 99 -20.046 2.879 19.115 738 HG23 ILE 99 3HG2 ILE 99 -19.286 4.448 18.851 739 HD11 ILE 99 1HD1 ILE 99 -18.678 4.834 16.535 740 HD12 ILE 99 2HD1 ILE 99 -19.720 4.952 15.117 741 HD13 ILE 99 3HD1 ILE 99 -19.124 6.416 15.897 742 H SER 100 H SER 100 -22.859 1.748 16.799 743 HA SER 100 HA SER 100 -21.868 -0.378 18.563 744 HB2 SER 100 1HB SER 100 -24.223 -0.786 19.113 745 HB3 SER 100 2HB SER 100 -23.810 0.908 19.373 746 HG SER 100 HG SER 100 -24.677 1.227 17.175 747 H GLY 101 H GLY 101 -21.074 -0.635 15.951 748 HA2 GLY 101 1HA GLY 101 -22.548 -1.877 14.064 749 HA3 GLY 101 2HA GLY 101 -20.912 -2.390 14.449 750 HA PRO 102 HA PRO 102 -24.344 -5.534 15.711 751 HB2 PRO 102 1HB PRO 102 -24.675 -6.933 13.408 752 HB3 PRO 102 2HB PRO 102 -25.679 -5.544 13.841 753 HG2 PRO 102 1HG PRO 102 -23.322 -5.678 12.000 754 HG3 PRO 102 2HG PRO 102 -24.865 -4.831 11.783 755 HD2 PRO 102 1HD PRO 102 -22.604 -3.563 12.567 756 HD3 PRO 102 2HD PRO 102 -24.219 -3.055 13.102 757 H SER 103 H SER 103 -23.828 -7.639 16.280 758 HA SER 103 HA SER 103 -21.794 -9.176 15.054 759 HB2 SER 103 1HB SER 103 -21.025 -7.440 17.363 760 HB3 SER 103 2HB SER 103 -20.321 -9.053 17.250 761 HG SER 103 HG SER 103 -19.011 -8.238 15.840 762 H SER 104 H SER 104 -22.253 -11.226 15.494 763 HA SER 104 HA SER 104 -24.329 -12.117 17.019 764 HB2 SER 104 1HB SER 104 -22.702 -13.378 15.376 765 HB3 SER 104 2HB SER 104 -21.881 -13.837 16.868 766 HG SER 104 HG SER 104 -23.479 -15.359 16.268 767 H GLY 105 H GLY 105 -20.910 -12.245 18.049 768 HA2 GLY 105 1HA GLY 105 -20.882 -11.176 20.465 769 HA3 GLY 105 2HA GLY 105 -21.783 -12.645 20.809
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