NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14320 | 1wjk | 10060 | 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 17.277 -8.238 6.934 2 HA2 GLY 1 1HA GLY 1 17.924 -9.215 4.707 3 HA3 GLY 1 2HA GLY 1 16.787 -8.070 4.024 4 H SER 2 H SER 2 17.128 -5.671 4.963 5 HA SER 2 HA SER 2 19.977 -5.200 5.239 6 HB2 SER 2 1HB SER 2 18.582 -4.755 2.836 7 HB3 SER 2 2HB SER 2 18.669 -3.165 3.568 8 HG SER 2 HG SER 2 21.100 -4.150 3.924 9 H SER 3 H SER 3 20.340 -3.844 6.962 10 HA SER 3 HA SER 3 18.257 -2.875 8.467 11 HB2 SER 3 1HB SER 3 19.988 -1.654 9.731 12 HB3 SER 3 2HB SER 3 20.531 -3.275 9.346 13 HG SER 3 HG SER 3 21.298 -1.724 7.284 14 H GLY 4 H GLY 4 19.706 -1.654 5.547 15 HA2 GLY 4 1HA GLY 4 19.143 0.118 4.267 16 HA3 GLY 4 2HA GLY 4 17.877 0.526 5.408 17 H SER 5 H SER 5 19.341 2.578 4.226 18 HA SER 5 HA SER 5 20.485 3.739 6.565 19 HB2 SER 5 1HB SER 5 22.265 2.441 4.876 20 HB3 SER 5 2HB SER 5 22.323 4.081 4.262 21 HG SER 5 HG SER 5 23.710 4.376 5.877 22 H SER 6 H SER 6 19.511 5.728 6.608 23 HA SER 6 HA SER 6 19.779 7.532 4.536 24 HB2 SER 6 1HB SER 6 17.827 5.737 3.842 25 HB3 SER 6 2HB SER 6 16.861 6.919 4.703 26 HG SER 6 HG SER 6 17.179 8.389 3.145 27 H GLY 7 H GLY 7 20.314 8.979 6.208 28 HA2 GLY 7 1HA GLY 7 18.172 9.526 8.176 29 HA3 GLY 7 2HA GLY 7 19.888 9.684 8.495 30 H ASN 8 H ASN 8 17.552 11.681 8.514 31 HA ASN 8 HA ASN 8 19.042 13.785 7.367 32 HB2 ASN 8 1HB ASN 8 16.771 12.609 5.857 33 HB3 ASN 8 2HB ASN 8 16.581 14.330 6.129 34 HD21 ASN 8 1HD2 ASN 8 17.864 12.012 4.154 35 HD22 ASN 8 2HD2 ASN 8 19.046 12.934 3.285 36 H LEU 9 H LEU 9 18.012 15.925 7.975 37 HA LEU 9 HA LEU 9 16.883 15.866 10.505 38 HB2 LEU 9 1HB LEU 9 18.180 17.713 9.482 39 HB3 LEU 9 2HB LEU 9 16.806 18.091 8.463 40 HG LEU 9 HG LEU 9 15.812 18.063 11.108 41 HD11 LEU 9 1HD1 LEU 9 18.486 19.464 10.905 42 HD12 LEU 9 2HD1 LEU 9 17.267 19.826 12.150 43 HD13 LEU 9 3HD1 LEU 9 17.991 18.203 12.059 44 HD21 LEU 9 1HD2 LEU 9 15.741 20.615 10.635 45 HD22 LEU 9 2HD2 LEU 9 16.362 20.163 9.030 46 HD23 LEU 9 3HD2 LEU 9 14.809 19.507 9.600 47 H SER 10 H SER 10 14.772 16.131 11.305 48 HA SER 10 HA SER 10 12.661 16.271 9.354 49 HB2 SER 10 1HB SER 10 13.479 13.771 10.415 50 HB3 SER 10 2HB SER 10 12.022 14.184 11.298 51 HG SER 10 HG SER 10 11.207 13.207 9.504 52 H ALA 11 H ALA 11 13.400 15.606 12.859 53 HA ALA 11 HA ALA 11 12.578 16.457 14.729 54 HB1 ALA 11 1HB ALA 11 13.563 18.515 14.300 55 HB2 ALA 11 2HB ALA 11 12.580 18.803 12.844 56 HB3 ALA 11 3HB ALA 11 11.856 18.993 14.459 57 H SER 12 H SER 12 10.830 14.769 14.317 58 HA SER 12 HA SER 12 8.352 16.003 14.796 59 HB2 SER 12 1HB SER 12 7.097 15.208 12.865 60 HB3 SER 12 2HB SER 12 8.425 16.204 12.302 61 HG SER 12 HG SER 12 7.975 13.439 11.972 62 H ASN 13 H ASN 13 6.668 14.342 15.359 63 HA ASN 13 HA ASN 13 7.668 12.364 16.903 64 HB2 ASN 13 1HB ASN 13 5.151 13.349 16.338 65 HB3 ASN 13 2HB ASN 13 5.036 11.765 15.596 66 HD21 ASN 13 1HD2 ASN 13 5.044 9.933 16.815 67 HD22 ASN 13 2HD2 ASN 13 4.931 9.908 18.543 68 H ARG 14 H ARG 14 7.181 9.873 16.568 69 HA ARG 14 HA ARG 14 7.991 9.230 13.851 70 HB2 ARG 14 1HB ARG 14 9.102 7.272 14.749 71 HB3 ARG 14 2HB ARG 14 9.547 8.615 15.782 72 HG2 ARG 14 1HG ARG 14 7.390 7.856 17.171 73 HG3 ARG 14 2HG ARG 14 7.655 6.328 16.355 74 HD2 ARG 14 1HD ARG 14 10.231 7.011 17.205 75 HD3 ARG 14 2HD ARG 14 9.231 7.600 18.518 76 HE ARG 14 HE ARG 14 8.385 4.949 17.741 77 HH11 ARG 14 2HH2 ARG 14 10.931 6.643 19.482 78 HH12 ARG 14 1HH2 ARG 14 11.307 5.294 20.502 79 HH21 ARG 14 2HH1 ARG 14 8.880 3.170 19.087 80 HH22 ARG 14 1HH1 ARG 14 10.132 3.305 20.276 81 H ALA 15 H ALA 15 6.395 8.312 12.600 82 HA ALA 15 HA ALA 15 4.894 6.121 13.415 83 HB1 ALA 15 1HB ALA 15 3.471 8.802 13.617 84 HB2 ALA 15 2HB ALA 15 2.630 7.236 13.519 85 HB3 ALA 15 3HB ALA 15 3.689 7.593 14.905 86 H LEU 16 H LEU 16 4.755 5.098 11.487 87 HA LEU 16 HA LEU 16 4.591 6.763 9.097 88 HB2 LEU 16 1HB LEU 16 5.126 3.801 9.286 89 HB3 LEU 16 2HB LEU 16 5.361 4.846 7.899 90 HG LEU 16 HG LEU 16 6.906 5.129 10.488 91 HD11 LEU 16 1HD1 LEU 16 7.168 3.150 8.401 92 HD12 LEU 16 2HD1 LEU 16 8.620 4.176 8.481 93 HD13 LEU 16 3HD1 LEU 16 8.058 3.315 9.934 94 HD21 LEU 16 1HD2 LEU 16 6.742 6.693 8.036 95 HD22 LEU 16 2HD2 LEU 16 7.483 7.089 9.605 96 HD23 LEU 16 3HD2 LEU 16 8.403 6.164 8.394 97 HA PRO 17 HA PRO 17 0.505 5.609 8.337 98 HB2 PRO 17 1HB PRO 17 0.366 5.635 5.607 99 HB3 PRO 17 2HB PRO 17 0.316 7.090 6.583 100 HG2 PRO 17 1HG PRO 17 2.541 6.026 4.952 101 HG3 PRO 17 2HG PRO 17 2.315 7.648 5.576 102 HD2 PRO 17 1HD PRO 17 4.086 5.644 6.610 103 HD3 PRO 17 2HD PRO 17 3.774 7.223 7.301 104 H VAL 18 H VAL 18 -1.055 4.011 7.646 105 HA VAL 18 HA VAL 18 0.354 1.464 7.352 106 HB VAL 18 HB VAL 18 -2.387 2.236 8.348 107 HG11 VAL 18 1HG1 VAL 18 -2.864 -0.122 8.702 108 HG12 VAL 18 2HG1 VAL 18 -2.537 0.174 6.978 109 HG13 VAL 18 3HG1 VAL 18 -1.290 -0.575 8.004 110 HG21 VAL 18 1HG2 VAL 18 0.181 1.355 9.589 111 HG22 VAL 18 2HG2 VAL 18 -1.040 2.512 10.173 112 HG23 VAL 18 3HG2 VAL 18 -1.332 0.762 10.315 113 H LEU 19 H LEU 19 0.594 0.798 5.282 114 HA LEU 19 HA LEU 19 -1.396 1.656 3.338 115 HB2 LEU 19 1HB LEU 19 1.000 2.006 2.899 116 HB3 LEU 19 2HB LEU 19 1.269 0.277 2.982 117 HG LEU 19 HG LEU 19 -0.595 0.256 1.072 118 HD11 LEU 19 1HD1 LEU 19 0.766 2.883 0.479 119 HD12 LEU 19 2HD1 LEU 19 -0.622 2.130 -0.342 120 HD13 LEU 19 3HD1 LEU 19 -0.811 2.791 1.299 121 HD21 LEU 19 1HD2 LEU 19 1.119 -0.613 -0.031 122 HD22 LEU 19 2HD2 LEU 19 1.833 1.002 -0.256 123 HD23 LEU 19 3HD2 LEU 19 2.226 0.050 1.195 124 H THR 20 H THR 20 -3.164 0.401 3.104 125 HA THR 20 HA THR 20 -3.063 -2.369 3.895 126 HB THR 20 HB THR 20 -5.389 -1.006 2.503 127 HG1 THR 20 1HG THR 20 -5.752 -0.030 4.672 128 HG21 THR 20 1HG2 THR 20 -4.979 -2.994 4.777 129 HG22 THR 20 2HG2 THR 20 -6.503 -2.088 4.620 130 HG23 THR 20 3HG2 THR 20 -5.979 -3.180 3.316 131 H LEU 21 H LEU 21 -1.906 -3.697 2.598 132 HA LEU 21 HA LEU 21 -2.256 -3.388 -0.279 133 HB2 LEU 21 1HB LEU 21 -0.021 -3.542 0.122 134 HB3 LEU 21 2HB LEU 21 -0.213 -4.589 1.514 135 HG LEU 21 HG LEU 21 -0.628 -6.509 0.092 136 HD11 LEU 21 1HD1 LEU 21 -1.767 -5.937 -1.791 137 HD12 LEU 21 2HD1 LEU 21 -0.835 -4.442 -2.044 138 HD13 LEU 21 3HD1 LEU 21 -0.127 -6.017 -2.477 139 HD21 LEU 21 1HD2 LEU 21 1.783 -5.271 0.435 140 HD22 LEU 21 2HD2 LEU 21 1.551 -6.889 -0.270 141 HD23 LEU 21 3HD2 LEU 21 1.729 -5.472 -1.333 142 H PHE 22 H PHE 22 -3.706 -4.595 -1.369 143 HA PHE 22 HA PHE 22 -4.690 -6.996 -0.003 144 HB2 PHE 22 1HB PHE 22 -5.816 -5.001 -2.044 145 HB3 PHE 22 2HB PHE 22 -6.610 -6.537 -1.763 146 HD1 PHE 22 1HD PHE 22 -7.321 -7.058 0.665 147 HD2 PHE 22 2HD PHE 22 -6.309 -3.167 -0.691 148 HE1 PHE 22 1HE PHE 22 -8.570 -6.059 2.600 149 HE2 PHE 22 2HE PHE 22 -7.558 -2.168 1.244 150 HZ PHE 22 HZ PHE 22 -8.674 -3.626 2.866 151 H THR 23 H THR 23 -3.364 -8.647 -0.754 152 HA THR 23 HA THR 23 -2.986 -8.803 -3.662 153 HB THR 23 HB THR 23 -0.869 -8.911 -2.592 154 HG1 THR 23 1HG THR 23 -1.867 -11.658 -2.435 155 HG21 THR 23 1HG2 THR 23 -1.188 -9.070 -0.262 156 HG22 THR 23 2HG2 THR 23 -2.404 -10.361 -0.420 157 HG23 THR 23 3HG2 THR 23 -0.677 -10.733 -0.638 158 H LYS 24 H LYS 24 -3.018 -11.071 -4.595 159 HA LYS 24 HA LYS 24 -4.709 -12.933 -3.219 160 HB2 LYS 24 1HB LYS 24 -6.581 -12.885 -4.682 161 HB3 LYS 24 2HB LYS 24 -6.327 -11.243 -4.125 162 HG2 LYS 24 1HG LYS 24 -5.730 -10.476 -6.214 163 HG3 LYS 24 2HG LYS 24 -4.845 -11.934 -6.616 164 HD2 LYS 24 1HD LYS 24 -7.890 -11.664 -6.605 165 HD3 LYS 24 2HD LYS 24 -6.879 -11.662 -8.037 166 HE2 LYS 24 1HE LYS 24 -6.004 -13.987 -6.971 167 HE3 LYS 24 2HE LYS 24 -7.583 -13.953 -6.210 168 HZ1 LYS 24 1HZ LYS 24 -7.753 -13.271 -8.940 169 HZ2 LYS 24 2HZ LYS 24 -7.035 -14.725 -8.754 170 HZ3 LYS 24 3HZ LYS 24 -8.518 -14.461 -8.125 171 H ALA 25 H ALA 25 -5.332 -14.715 -5.119 172 HA ALA 25 HA ALA 25 -3.263 -14.974 -7.073 173 HB1 ALA 25 1HB ALA 25 -3.286 -16.993 -4.803 174 HB2 ALA 25 2HB ALA 25 -2.122 -16.863 -6.143 175 HB3 ALA 25 3HB ALA 25 -2.154 -15.621 -4.868 176 HA PRO 26 HA PRO 26 -2.570 -16.621 -8.112 177 HB2 PRO 26 1HB PRO 26 -2.790 -17.186 -10.777 178 HB3 PRO 26 2HB PRO 26 -2.483 -18.410 -9.560 179 HG2 PRO 26 1HG PRO 26 -4.989 -17.835 -11.019 180 HG3 PRO 26 2HG PRO 26 -4.539 -19.281 -10.138 181 HD2 PRO 26 1HD PRO 26 -6.331 -17.222 -9.256 182 HD3 PRO 26 2HD PRO 26 -5.790 -18.609 -8.331 183 H CYS 27 H CYS 27 -1.445 -14.807 -8.537 184 HA CYS 27 HA CYS 27 -2.456 -13.047 -10.529 185 HB2 CYS 27 1HB CYS 27 -3.079 -12.507 -7.670 186 HB3 CYS 27 2HB CYS 27 -2.452 -11.153 -8.589 187 HG CYS 27 HG CYS 27 -4.149 -11.143 -10.481 188 HA PRO 28 HA PRO 28 1.950 -12.767 -10.025 189 HB2 PRO 28 1HB PRO 28 2.522 -12.079 -12.607 190 HB3 PRO 28 2HB PRO 28 2.405 -13.740 -12.061 191 HG2 PRO 28 1HG PRO 28 0.476 -12.177 -13.666 192 HG3 PRO 28 2HG PRO 28 0.589 -13.915 -13.472 193 HD2 PRO 28 1HD PRO 28 -1.311 -12.170 -12.220 194 HD3 PRO 28 2HD PRO 28 -1.123 -13.889 -11.939 195 H LEU 29 H LEU 29 -0.372 -10.520 -10.270 196 HA LEU 29 HA LEU 29 1.418 -8.294 -10.710 197 HB2 LEU 29 1HB LEU 29 -1.476 -8.195 -9.883 198 HB3 LEU 29 2HB LEU 29 -0.524 -6.943 -10.656 199 HG LEU 29 HG LEU 29 -1.483 -9.530 -11.902 200 HD11 LEU 29 1HD1 LEU 29 -2.391 -6.698 -11.975 201 HD12 LEU 29 2HD1 LEU 29 -2.449 -7.616 -13.498 202 HD13 LEU 29 3HD1 LEU 29 -3.322 -8.212 -12.066 203 HD21 LEU 29 1HD2 LEU 29 0.652 -7.651 -12.734 204 HD22 LEU 29 2HD2 LEU 29 0.425 -9.378 -13.099 205 HD23 LEU 29 3HD2 LEU 29 -0.498 -8.150 -13.997 206 H CYS 30 H CYS 30 -0.824 -9.365 -8.051 207 HA CYS 30 HA CYS 30 -0.017 -7.604 -6.160 208 HB2 CYS 30 1HB CYS 30 -0.943 -9.067 -4.531 209 HB3 CYS 30 2HB CYS 30 -1.883 -9.295 -5.993 210 HG CYS 30 HG CYS 30 0.272 -11.198 -6.642 211 H ASP 31 H ASP 31 1.719 -10.313 -7.591 212 HA ASP 31 HA ASP 31 3.518 -10.720 -5.489 213 HB2 ASP 31 1HB ASP 31 2.996 -11.801 -8.072 214 HB3 ASP 31 2HB ASP 31 4.658 -11.249 -8.132 215 H GLU 32 H GLU 32 3.781 -9.045 -8.723 216 HA GLU 32 HA GLU 32 6.313 -8.026 -8.264 217 HB2 GLU 32 1HB GLU 32 4.803 -8.204 -10.444 218 HB3 GLU 32 2HB GLU 32 4.316 -6.578 -10.009 219 HG2 GLU 32 1HG GLU 32 6.400 -5.674 -10.459 220 HG3 GLU 32 2HG GLU 32 7.260 -7.100 -9.914 221 H ALA 33 H ALA 33 3.026 -6.554 -7.841 222 HA ALA 33 HA ALA 33 3.574 -4.029 -7.200 223 HB1 ALA 33 1HB ALA 33 1.799 -4.914 -5.170 224 HB2 ALA 33 2HB ALA 33 1.381 -4.217 -6.754 225 HB3 ALA 33 3HB ALA 33 1.533 -5.981 -6.570 226 H LYS 34 H LYS 34 3.603 -6.689 -4.713 227 HA LYS 34 HA LYS 34 4.577 -5.266 -2.626 228 HB2 LYS 34 1HB LYS 34 5.149 -8.135 -3.415 229 HB3 LYS 34 2HB LYS 34 5.545 -7.454 -1.850 230 HG2 LYS 34 1HG LYS 34 3.334 -7.350 -1.170 231 HG3 LYS 34 2HG LYS 34 2.740 -6.984 -2.777 232 HD2 LYS 34 1HD LYS 34 2.030 -9.150 -2.824 233 HD3 LYS 34 2HD LYS 34 3.706 -9.557 -3.133 234 HE2 LYS 34 1HE LYS 34 2.668 -9.238 -0.289 235 HE3 LYS 34 2HE LYS 34 2.495 -10.755 -1.150 236 HZ1 LYS 34 1HZ LYS 34 5.000 -10.394 -1.591 237 HZ2 LYS 34 2HZ LYS 34 4.926 -9.431 -0.275 238 HZ3 LYS 34 3HZ LYS 34 4.506 -11.004 -0.159 239 H GLU 35 H GLU 35 6.533 -6.940 -5.183 240 HA GLU 35 HA GLU 35 8.984 -6.269 -4.206 241 HB2 GLU 35 1HB GLU 35 8.295 -6.339 -7.170 242 HB3 GLU 35 2HB GLU 35 9.830 -6.738 -6.426 243 HG2 GLU 35 1HG GLU 35 8.234 -8.491 -5.080 244 HG3 GLU 35 2HG GLU 35 7.304 -8.353 -6.560 245 H VAL 36 H VAL 36 6.575 -4.264 -5.849 246 HA VAL 36 HA VAL 36 8.436 -2.180 -6.488 247 HB VAL 36 HB VAL 36 5.420 -2.075 -6.396 248 HG11 VAL 36 1HG1 VAL 36 7.315 -0.587 -8.231 249 HG12 VAL 36 2HG1 VAL 36 5.590 -0.271 -7.928 250 HG13 VAL 36 3HG1 VAL 36 6.792 0.057 -6.657 251 HG21 VAL 36 1HG2 VAL 36 6.741 -2.615 -8.990 252 HG22 VAL 36 2HG2 VAL 36 6.775 -3.958 -7.822 253 HG23 VAL 36 3HG2 VAL 36 5.220 -3.249 -8.318 254 H LEU 37 H LEU 37 6.687 -3.266 -3.686 255 HA LEU 37 HA LEU 37 6.933 -0.621 -2.459 256 HB2 LEU 37 1HB LEU 37 5.377 -3.080 -1.653 257 HB3 LEU 37 2HB LEU 37 5.499 -1.626 -0.682 258 HG LEU 37 HG LEU 37 4.077 -2.038 -3.302 259 HD11 LEU 37 1HD1 LEU 37 3.292 -0.986 -0.578 260 HD12 LEU 37 2HD1 LEU 37 2.254 -0.853 -2.018 261 HD13 LEU 37 3HD1 LEU 37 2.720 -2.457 -1.402 262 HD21 LEU 37 1HD2 LEU 37 4.956 0.619 -2.144 263 HD22 LEU 37 2HD2 LEU 37 5.369 -0.068 -3.734 264 HD23 LEU 37 3HD2 LEU 37 3.696 0.429 -3.387 265 H GLN 38 H GLN 38 9.129 -2.682 -3.126 266 HA GLN 38 HA GLN 38 9.917 -3.761 -0.663 267 HB2 GLN 38 1HB GLN 38 10.942 -3.619 -3.417 268 HB3 GLN 38 2HB GLN 38 12.232 -3.528 -2.235 269 HG2 GLN 38 1HG GLN 38 10.529 -5.551 -1.241 270 HG3 GLN 38 2HG GLN 38 10.543 -5.819 -2.972 271 HE21 GLN 38 1HE2 GLN 38 13.129 -4.722 -3.476 272 HE22 GLN 38 2HE2 GLN 38 14.323 -5.818 -2.864 273 HA PRO 39 HA PRO 39 12.716 0.072 -0.557 274 HB2 PRO 39 1HB PRO 39 12.293 2.116 -2.321 275 HB3 PRO 39 2HB PRO 39 13.489 0.861 -2.577 276 HG2 PRO 39 1HG PRO 39 10.858 1.207 -3.878 277 HG3 PRO 39 2HG PRO 39 12.222 0.240 -4.402 278 HD2 PRO 39 1HD PRO 39 9.818 -0.715 -3.163 279 HD3 PRO 39 2HD PRO 39 11.230 -1.664 -3.581 280 H TYR 40 H TYR 40 9.485 -0.152 -0.519 281 HA TYR 40 HA TYR 40 9.304 2.300 1.098 282 HB2 TYR 40 1HB TYR 40 7.168 0.829 -0.566 283 HB3 TYR 40 2HB TYR 40 6.938 2.366 0.246 284 HD1 TYR 40 1HD TYR 40 8.432 0.684 -2.661 285 HD2 TYR 40 2HD TYR 40 7.864 4.435 -0.682 286 HE1 TYR 40 1HE TYR 40 9.156 1.912 -4.765 287 HE2 TYR 40 2HE TYR 40 8.590 5.650 -2.794 288 HH TYR 40 HH TYR 40 9.800 5.303 -4.742 289 H LYS 41 H LYS 41 9.744 -0.868 1.454 290 HA LYS 41 HA LYS 41 7.505 -1.754 2.886 291 HB2 LYS 41 1HB LYS 41 8.843 -3.611 3.484 292 HB3 LYS 41 2HB LYS 41 9.341 -3.153 1.868 293 HG2 LYS 41 1HG LYS 41 11.337 -2.046 2.695 294 HG3 LYS 41 2HG LYS 41 10.781 -2.134 4.355 295 HD2 LYS 41 1HD LYS 41 10.732 -4.817 3.440 296 HD3 LYS 41 2HD LYS 41 12.208 -4.149 2.772 297 HE2 LYS 41 1HE LYS 41 12.743 -3.250 5.119 298 HE3 LYS 41 2HE LYS 41 11.380 -4.180 5.710 299 HZ1 LYS 41 1HZ LYS 41 13.777 -5.228 4.381 300 HZ2 LYS 41 2HZ LYS 41 13.306 -5.487 5.923 301 HZ3 LYS 41 3HZ LYS 41 12.458 -6.141 4.690 302 H ASP 42 H ASP 42 10.330 0.239 3.737 303 HA ASP 42 HA ASP 42 9.545 0.117 6.515 304 HB2 ASP 42 1HB ASP 42 11.624 1.700 6.700 305 HB3 ASP 42 2HB ASP 42 11.889 0.004 6.349 306 H ARG 43 H ARG 43 9.044 1.940 3.629 307 HA ARG 43 HA ARG 43 8.975 4.509 4.710 308 HB2 ARG 43 1HB ARG 43 7.876 3.194 2.208 309 HB3 ARG 43 2HB ARG 43 7.382 4.832 2.588 310 HG2 ARG 43 1HG ARG 43 10.311 3.985 2.488 311 HG3 ARG 43 2HG ARG 43 9.457 4.588 1.082 312 HD2 ARG 43 1HD ARG 43 10.331 6.593 1.878 313 HD3 ARG 43 2HD ARG 43 8.803 6.595 2.735 314 HE ARG 43 HE ARG 43 10.864 5.193 4.235 315 HH11 ARG 43 2HH2 ARG 43 9.627 8.392 3.449 316 HH12 ARG 43 1HH2 ARG 43 10.250 9.127 4.888 317 HH21 ARG 43 2HH1 ARG 43 11.686 6.162 6.134 318 HH22 ARG 43 1HH1 ARG 43 11.429 7.850 6.426 319 H PHE 44 H PHE 44 7.008 1.798 5.266 320 HA PHE 44 HA PHE 44 5.205 3.151 6.862 321 HB2 PHE 44 1HB PHE 44 3.149 2.740 5.327 322 HB3 PHE 44 2HB PHE 44 4.196 4.056 4.833 323 HD1 PHE 44 2HD PHE 44 3.945 0.362 4.297 324 HD2 PHE 44 1HD PHE 44 4.697 4.175 2.594 325 HE1 PHE 44 2HE PHE 44 4.214 -0.700 2.038 326 HE2 PHE 44 1HE PHE 44 4.966 3.114 0.335 327 HZ PHE 44 HZ PHE 44 4.721 0.689 0.084 328 H ILE 45 H ILE 45 3.103 1.609 7.205 329 HA ILE 45 HA ILE 45 4.268 -1.031 7.568 330 HB ILE 45 HB ILE 45 1.843 0.341 8.721 331 HG12 ILE 45 1HG1 ILE 45 4.103 -0.703 10.365 332 HG13 ILE 45 2HG1 ILE 45 4.403 0.738 9.413 333 HG21 ILE 45 1HG2 ILE 45 0.967 -1.623 9.252 334 HG22 ILE 45 2HG2 ILE 45 2.285 -2.457 8.394 335 HG23 ILE 45 3HG2 ILE 45 2.459 -2.059 10.120 336 HD11 ILE 45 1HD1 ILE 45 1.918 0.505 11.147 337 HD12 ILE 45 2HD1 ILE 45 3.471 1.060 11.816 338 HD13 ILE 45 3HD1 ILE 45 2.687 1.977 10.507 339 H LEU 46 H LEU 46 4.128 -2.206 5.695 340 HA LEU 46 HA LEU 46 1.869 -1.954 3.978 341 HB2 LEU 46 1HB LEU 46 4.154 -2.419 3.198 342 HB3 LEU 46 2HB LEU 46 4.121 -3.968 4.017 343 HG LEU 46 HG LEU 46 2.250 -4.691 2.561 344 HD11 LEU 46 1HD1 LEU 46 1.044 -2.912 1.812 345 HD12 LEU 46 2HD1 LEU 46 2.478 -1.882 1.588 346 HD13 LEU 46 3HD1 LEU 46 2.097 -3.150 0.398 347 HD21 LEU 46 1HD2 LEU 46 3.756 -5.546 1.167 348 HD22 LEU 46 2HD2 LEU 46 4.124 -3.950 0.468 349 HD23 LEU 46 3HD2 LEU 46 4.960 -4.490 1.944 350 H GLN 47 H GLN 47 -0.102 -2.617 4.680 351 HA GLN 47 HA GLN 47 -0.189 -4.983 6.334 352 HB2 GLN 47 1HB GLN 47 -1.492 -2.680 6.666 353 HB3 GLN 47 2HB GLN 47 -2.637 -3.400 5.552 354 HG2 GLN 47 1HG GLN 47 -2.664 -5.468 7.074 355 HG3 GLN 47 2HG GLN 47 -1.724 -4.544 8.229 356 HE21 GLN 47 1HE2 GLN 47 -3.145 -4.300 9.830 357 HE22 GLN 47 2HE2 GLN 47 -4.664 -3.475 9.721 358 H GLU 48 H GLU 48 0.024 -6.804 5.038 359 HA GLU 48 HA GLU 48 -1.259 -6.870 2.500 360 HB2 GLU 48 1HB GLU 48 0.650 -8.547 4.032 361 HB3 GLU 48 2HB GLU 48 -0.441 -9.468 3.016 362 HG2 GLU 48 1HG GLU 48 0.505 -8.700 1.071 363 HG3 GLU 48 2HG GLU 48 0.665 -7.062 1.675 364 H VAL 49 H VAL 49 -3.452 -7.116 2.373 365 HA VAL 49 HA VAL 49 -4.734 -8.792 4.399 366 HB VAL 49 HB VAL 49 -5.813 -6.736 2.462 367 HG11 VAL 49 1HG1 VAL 49 -7.827 -7.156 4.245 368 HG12 VAL 49 2HG1 VAL 49 -7.720 -7.938 2.650 369 HG13 VAL 49 3HG1 VAL 49 -7.159 -8.800 4.104 370 HG21 VAL 49 1HG2 VAL 49 -5.099 -6.702 5.379 371 HG22 VAL 49 2HG2 VAL 49 -4.803 -5.481 4.119 372 HG23 VAL 49 3HG2 VAL 49 -6.437 -5.686 4.792 373 H ASP 50 H ASP 50 -5.510 -10.784 3.890 374 HA ASP 50 HA ASP 50 -5.095 -11.654 1.198 375 HB2 ASP 50 1HB ASP 50 -5.650 -12.901 3.860 376 HB3 ASP 50 2HB ASP 50 -6.282 -13.780 2.482 377 H ILE 51 H ILE 51 -6.757 -10.994 -0.212 378 HA ILE 51 HA ILE 51 -9.462 -10.829 0.754 379 HB ILE 51 HB ILE 51 -9.938 -10.033 -1.520 380 HG12 ILE 51 1HG1 ILE 51 -6.980 -10.192 -2.105 381 HG13 ILE 51 2HG1 ILE 51 -8.074 -11.488 -2.546 382 HG21 ILE 51 1HG2 ILE 51 -7.525 -8.485 -0.705 383 HG22 ILE 51 2HG2 ILE 51 -9.170 -7.933 -1.098 384 HG23 ILE 51 3HG2 ILE 51 -8.835 -8.674 0.485 385 HD11 ILE 51 1HD1 ILE 51 -8.402 -10.295 -4.462 386 HD12 ILE 51 2HD1 ILE 51 -9.458 -9.268 -3.463 387 HD13 ILE 51 3HD1 ILE 51 -7.764 -8.797 -3.742 388 H THR 52 H THR 52 -7.367 -13.206 -0.666 389 HA THR 52 HA THR 52 -9.332 -14.683 -2.073 390 HB THR 52 HB THR 52 -7.492 -16.462 -1.906 391 HG1 THR 52 1HG THR 52 -6.799 -15.572 0.238 392 HG21 THR 52 1HG2 THR 52 -6.929 -15.219 -3.788 393 HG22 THR 52 2HG2 THR 52 -7.101 -13.668 -2.931 394 HG23 THR 52 3HG2 THR 52 -5.622 -14.637 -2.728 395 H LEU 53 H LEU 53 -8.967 -14.050 1.246 396 HA LEU 53 HA LEU 53 -9.859 -16.637 2.126 397 HB2 LEU 53 1HB LEU 53 -9.258 -14.009 3.446 398 HB3 LEU 53 2HB LEU 53 -10.102 -15.273 4.317 399 HG LEU 53 HG LEU 53 -7.407 -15.680 3.001 400 HD11 LEU 53 1HD1 LEU 53 -7.938 -14.051 5.217 401 HD12 LEU 53 2HD1 LEU 53 -7.320 -15.578 5.890 402 HD13 LEU 53 3HD1 LEU 53 -6.361 -14.683 4.687 403 HD21 LEU 53 1HD2 LEU 53 -7.294 -17.610 4.593 404 HD22 LEU 53 2HD2 LEU 53 -9.005 -17.312 4.986 405 HD23 LEU 53 3HD2 LEU 53 -8.537 -17.758 3.327 406 HA PRO 54 HA PRO 54 -14.099 -15.863 1.956 407 HB2 PRO 54 1HB PRO 54 -15.077 -17.243 4.103 408 HB3 PRO 54 2HB PRO 54 -14.619 -18.013 2.597 409 HG2 PRO 54 1HG PRO 54 -13.182 -17.993 5.181 410 HG3 PRO 54 2HG PRO 54 -12.977 -19.077 3.819 411 HD2 PRO 54 1HD PRO 54 -11.266 -16.893 4.548 412 HD3 PRO 54 2HD PRO 54 -11.126 -17.904 3.123 413 H GLU 55 H GLU 55 -12.881 -15.398 5.227 414 HA GLU 55 HA GLU 55 -14.973 -13.752 5.995 415 HB2 GLU 55 1HB GLU 55 -13.524 -13.125 7.876 416 HB3 GLU 55 2HB GLU 55 -13.397 -14.846 7.570 417 HG2 GLU 55 1HG GLU 55 -11.335 -14.281 6.100 418 HG3 GLU 55 2HG GLU 55 -11.405 -12.674 6.796 419 H ASN 56 H ASN 56 -12.259 -13.221 3.872 420 HA ASN 56 HA ASN 56 -12.625 -10.347 4.131 421 HB2 ASN 56 1HB ASN 56 -10.398 -11.992 2.819 422 HB3 ASN 56 2HB ASN 56 -10.465 -10.241 2.774 423 HD21 ASN 56 1HD2 ASN 56 -8.605 -12.255 4.006 424 HD22 ASN 56 2HD2 ASN 56 -8.415 -11.774 5.659 425 H SER 57 H SER 57 -13.938 -12.875 2.503 426 HA SER 57 HA SER 57 -13.590 -12.602 -0.131 427 HB2 SER 57 1HB SER 57 -15.154 -14.183 1.138 428 HB3 SER 57 2HB SER 57 -16.337 -12.891 1.155 429 HG SER 57 HG SER 57 -16.829 -14.091 -0.662 430 H THR 58 H THR 58 -15.299 -10.389 2.081 431 HA THR 58 HA THR 58 -16.727 -8.910 0.190 432 HB THR 58 HB THR 58 -15.597 -8.408 2.973 433 HG1 THR 58 1HG THR 58 -18.164 -8.728 1.593 434 HG21 THR 58 1HG2 THR 58 -16.882 -6.325 3.073 435 HG22 THR 58 2HG2 THR 58 -15.745 -6.189 1.711 436 HG23 THR 58 3HG2 THR 58 -17.460 -6.552 1.406 437 H TRP 59 H TRP 59 -13.440 -8.286 1.594 438 HA TRP 59 HA TRP 59 -12.875 -6.003 0.208 439 HB2 TRP 59 1HB TRP 59 -11.187 -8.256 1.239 440 HB3 TRP 59 2HB TRP 59 -10.450 -6.967 0.308 441 HD1 TRP 59 HD TRP 59 -11.314 -7.775 3.806 442 HE1 TRP 59 1HE TRP 59 -11.175 -5.705 5.437 443 HE3 TRP 59 3HE TRP 59 -11.118 -4.243 0.154 444 HZ2 TRP 59 2HZ TRP 59 -11.002 -2.887 5.026 445 HZ3 TRP 59 3HZ TRP 59 -10.965 -1.855 0.854 446 HH2 TRP 59 HH TRP 59 -10.907 -1.155 3.195 447 H TYR 60 H TYR 60 -12.595 -9.458 -0.818 448 HA TYR 60 HA TYR 60 -11.447 -8.883 -3.328 449 HB2 TYR 60 1HB TYR 60 -11.574 -11.080 -1.937 450 HB3 TYR 60 2HB TYR 60 -13.263 -11.189 -2.391 451 HD1 TYR 60 2HD TYR 60 -13.911 -11.689 -4.726 452 HD2 TYR 60 1HD TYR 60 -9.808 -11.607 -3.517 453 HE1 TYR 60 2HE TYR 60 -13.254 -12.926 -6.848 454 HE2 TYR 60 1HE TYR 60 -9.164 -12.845 -5.643 455 HH TYR 60 HH TYR 60 -11.050 -14.565 -7.366 456 H GLU 61 H GLU 61 -14.838 -9.796 -2.375 457 HA GLU 61 HA GLU 61 -15.972 -9.713 -4.802 458 HB2 GLU 61 1HB GLU 61 -17.062 -8.806 -2.111 459 HB3 GLU 61 2HB GLU 61 -18.076 -8.907 -3.537 460 HG2 GLU 61 1HG GLU 61 -16.810 -11.369 -3.606 461 HG3 GLU 61 2HG GLU 61 -16.917 -11.093 -1.878 462 H ARG 62 H ARG 62 -14.957 -6.955 -2.771 463 HA ARG 62 HA ARG 62 -16.217 -5.113 -4.568 464 HB2 ARG 62 1HB ARG 62 -15.416 -3.381 -3.010 465 HB3 ARG 62 2HB ARG 62 -16.145 -4.685 -2.094 466 HG2 ARG 62 1HG ARG 62 -14.010 -5.566 -1.428 467 HG3 ARG 62 2HG ARG 62 -13.154 -4.641 -2.645 468 HD2 ARG 62 1HD ARG 62 -14.447 -3.619 -0.087 469 HD3 ARG 62 2HD ARG 62 -12.769 -3.486 -0.573 470 HE ARG 62 HE ARG 62 -14.004 -2.114 -2.584 471 HH11 ARG 62 2HH2 ARG 62 -14.376 -1.951 0.912 472 HH12 ARG 62 1HH2 ARG 62 -14.824 -0.278 0.914 473 HH21 ARG 62 2HH1 ARG 62 -14.596 0.093 -2.581 474 HH22 ARG 62 1HH1 ARG 62 -14.951 0.893 -1.086 475 H TYR 63 H TYR 63 -13.051 -6.560 -3.898 476 HA TYR 63 HA TYR 63 -11.955 -5.030 -6.147 477 HB2 TYR 63 1HB TYR 63 -10.784 -5.680 -3.373 478 HB3 TYR 63 2HB TYR 63 -9.787 -5.100 -4.692 479 HD1 TYR 63 1HD TYR 63 -11.463 -2.991 -5.896 480 HD2 TYR 63 2HD TYR 63 -10.817 -3.973 -1.783 481 HE1 TYR 63 1HE TYR 63 -11.990 -0.594 -5.234 482 HE2 TYR 63 2HE TYR 63 -11.346 -1.572 -1.134 483 HH TYR 63 HH TYR 63 -11.214 0.671 -2.280 484 H LYS 64 H LYS 64 -12.784 -7.209 -7.096 485 HA LYS 64 HA LYS 64 -10.817 -9.316 -6.572 486 HB2 LYS 64 1HB LYS 64 -12.435 -10.835 -7.592 487 HB3 LYS 64 2HB LYS 64 -13.140 -9.973 -6.239 488 HG2 LYS 64 1HG LYS 64 -14.115 -8.303 -7.896 489 HG3 LYS 64 2HG LYS 64 -13.523 -9.317 -9.197 490 HD2 LYS 64 1HD LYS 64 -15.208 -10.837 -8.937 491 HD3 LYS 64 2HD LYS 64 -15.033 -10.867 -7.193 492 HE2 LYS 64 1HE LYS 64 -16.099 -8.304 -7.740 493 HE3 LYS 64 2HE LYS 64 -16.952 -9.369 -8.840 494 HZ1 LYS 64 1HZ LYS 64 -18.105 -10.128 -7.146 495 HZ2 LYS 64 2HZ LYS 64 -16.762 -10.599 -6.345 496 HZ3 LYS 64 3HZ LYS 64 -17.353 -9.091 -6.133 497 H PHE 65 H PHE 65 -11.722 -6.797 -8.759 498 HA PHE 65 HA PHE 65 -9.870 -7.936 -10.722 499 HB2 PHE 65 1HB PHE 65 -11.526 -6.575 -12.336 500 HB3 PHE 65 2HB PHE 65 -11.961 -8.195 -11.828 501 HD1 PHE 65 2HD PHE 65 -12.365 -4.656 -10.705 502 HD2 PHE 65 1HD PHE 65 -14.068 -8.535 -10.948 503 HE1 PHE 65 2HE PHE 65 -14.506 -3.776 -9.736 504 HE2 PHE 65 1HE PHE 65 -16.209 -7.655 -9.978 505 HZ PHE 65 HZ PHE 65 -16.403 -5.286 -9.384 506 H ASP 66 H ASP 66 -10.260 -5.631 -8.444 507 HA ASP 66 HA ASP 66 -9.067 -3.578 -10.136 508 HB2 ASP 66 1HB ASP 66 -10.105 -2.876 -7.414 509 HB3 ASP 66 2HB ASP 66 -10.138 -1.932 -8.891 510 H ILE 67 H ILE 67 -7.745 -5.934 -8.832 511 HA ILE 67 HA ILE 67 -6.181 -4.558 -6.764 512 HB ILE 67 HB ILE 67 -5.522 -7.186 -6.542 513 HG12 ILE 67 1HG1 ILE 67 -8.455 -7.096 -7.309 514 HG13 ILE 67 2HG1 ILE 67 -7.174 -7.878 -8.214 515 HG21 ILE 67 1HG2 ILE 67 -6.515 -5.262 -4.939 516 HG22 ILE 67 2HG2 ILE 67 -7.923 -6.347 -5.020 517 HG23 ILE 67 3HG2 ILE 67 -6.354 -6.967 -4.454 518 HD11 ILE 67 1HD1 ILE 67 -7.551 -9.747 -6.991 519 HD12 ILE 67 2HD1 ILE 67 -6.908 -8.880 -5.576 520 HD13 ILE 67 3HD1 ILE 67 -8.657 -8.868 -5.908 521 HA PRO 68 HA PRO 68 -4.457 -5.715 -5.806 522 HB2 PRO 68 1HB PRO 68 -2.006 -4.710 -5.134 523 HB3 PRO 68 2HB PRO 68 -2.294 -6.412 -5.437 524 HG2 PRO 68 1HG PRO 68 -0.956 -4.423 -7.166 525 HG3 PRO 68 2HG PRO 68 -0.882 -6.172 -7.245 526 HD2 PRO 68 1HD PRO 68 -2.395 -4.439 -8.958 527 HD3 PRO 68 2HD PRO 68 -2.412 -6.191 -8.962 528 H VAL 69 H VAL 69 -5.040 -4.345 -4.115 529 HA VAL 69 HA VAL 69 -5.279 -1.587 -5.078 530 HB VAL 69 HB VAL 69 -6.838 -3.244 -3.098 531 HG11 VAL 69 1HG1 VAL 69 -8.238 -1.201 -2.739 532 HG12 VAL 69 2HG1 VAL 69 -6.594 -1.076 -2.069 533 HG13 VAL 69 3HG1 VAL 69 -6.998 -0.254 -3.595 534 HG21 VAL 69 1HG2 VAL 69 -8.738 -2.642 -4.595 535 HG22 VAL 69 2HG2 VAL 69 -7.582 -1.839 -5.685 536 HG23 VAL 69 3HG2 VAL 69 -7.472 -3.594 -5.408 537 H PHE 70 H PHE 70 -4.804 0.175 -3.596 538 HA PHE 70 HA PHE 70 -3.188 -0.622 -1.296 539 HB2 PHE 70 1HB PHE 70 -2.526 1.385 -3.534 540 HB3 PHE 70 2HB PHE 70 -1.579 1.236 -2.067 541 HD1 PHE 70 1HD PHE 70 -2.466 -0.375 -5.238 542 HD2 PHE 70 2HD PHE 70 -0.082 -0.633 -1.737 543 HE1 PHE 70 1HE PHE 70 -1.071 -2.159 -6.320 544 HE2 PHE 70 2HE PHE 70 1.314 -2.416 -2.819 545 HZ PHE 70 HZ PHE 70 0.803 -3.158 -5.097 546 H HIS 71 H HIS 71 -3.995 0.367 0.488 547 HA HIS 71 HA HIS 71 -5.323 2.943 0.057 548 HB2 HIS 71 1HB HIS 71 -5.830 0.836 2.176 549 HB3 HIS 71 2HB HIS 71 -6.611 2.404 2.114 550 HD1 HIS 71 1HD HIS 71 -8.677 0.432 2.025 551 HD2 HIS 71 2HD HIS 71 -6.511 1.295 -1.463 552 HE1 HIS 71 1HE HIS 71 -10.113 -0.371 0.075 553 H LEU 72 H LEU 72 -4.224 4.679 0.807 554 HA LEU 72 HA LEU 72 -2.204 4.170 2.867 555 HB2 LEU 72 1HB LEU 72 -2.069 5.465 0.407 556 HB3 LEU 72 2HB LEU 72 -2.128 6.772 1.572 557 HG LEU 72 HG LEU 72 -0.044 4.641 1.212 558 HD11 LEU 72 1HD1 LEU 72 -0.133 7.641 1.288 559 HD12 LEU 72 2HD1 LEU 72 1.383 6.780 1.648 560 HD13 LEU 72 3HD1 LEU 72 0.582 6.551 0.076 561 HD21 LEU 72 1HD2 LEU 72 -0.864 5.889 3.791 562 HD22 LEU 72 2HD2 LEU 72 -0.160 4.289 3.456 563 HD23 LEU 72 3HD2 LEU 72 0.877 5.735 3.458 564 H ASN 73 H ASN 73 -2.873 4.581 4.900 565 HA ASN 73 HA ASN 73 -3.643 5.703 6.602 566 HB2 ASN 73 1HB ASN 73 -3.384 7.790 4.651 567 HB3 ASN 73 2HB ASN 73 -4.959 8.015 5.385 568 HD21 ASN 73 1HD2 ASN 73 -1.562 8.204 5.759 569 HD22 ASN 73 2HD2 ASN 73 -1.494 8.821 7.377 570 H GLY 74 H GLY 74 -5.224 3.867 4.821 571 HA2 GLY 74 1HA GLY 74 -7.305 2.992 4.858 572 HA3 GLY 74 2HA GLY 74 -7.793 4.225 6.003 573 H GLN 75 H GLN 75 -6.362 4.754 2.732 574 HA GLN 75 HA GLN 75 -8.950 5.465 1.714 575 HB2 GLN 75 1HB GLN 75 -7.048 7.468 2.663 576 HB3 GLN 75 2HB GLN 75 -7.336 7.668 0.946 577 HG2 GLN 75 1HG GLN 75 -9.800 7.683 1.352 578 HG3 GLN 75 2HG GLN 75 -9.525 7.456 3.068 579 HE21 GLN 75 1HE2 GLN 75 -9.362 9.627 0.368 580 HE22 GLN 75 2HE2 GLN 75 -9.072 11.098 1.234 581 H PHE 76 H PHE 76 -9.049 4.526 -0.275 582 HA PHE 76 HA PHE 76 -7.145 3.174 -1.532 583 HB2 PHE 76 1HB PHE 76 -9.285 3.111 -2.544 584 HB3 PHE 76 2HB PHE 76 -9.532 4.834 -2.345 585 HD1 PHE 76 1HD PHE 76 -7.054 2.711 -4.180 586 HD2 PHE 76 2HD PHE 76 -9.813 5.932 -4.341 587 HE1 PHE 76 1HE PHE 76 -6.493 3.071 -6.600 588 HE2 PHE 76 2HE PHE 76 -9.252 6.291 -6.761 589 HZ PHE 76 HZ PHE 76 -7.599 4.856 -7.861 590 H LEU 77 H LEU 77 -5.026 3.820 -1.759 591 HA LEU 77 HA LEU 77 -4.454 6.512 -2.608 592 HB2 LEU 77 1HB LEU 77 -2.679 6.117 -1.373 593 HB3 LEU 77 2HB LEU 77 -3.124 4.431 -1.194 594 HG LEU 77 HG LEU 77 -2.006 4.130 -3.533 595 HD11 LEU 77 1HD1 LEU 77 -0.865 6.789 -2.650 596 HD12 LEU 77 2HD1 LEU 77 -0.080 5.720 -3.837 597 HD13 LEU 77 3HD1 LEU 77 -1.690 6.398 -4.179 598 HD21 LEU 77 1HD2 LEU 77 -0.644 2.988 -2.207 599 HD22 LEU 77 2HD2 LEU 77 0.292 4.478 -1.939 600 HD23 LEU 77 3HD2 LEU 77 -1.028 4.044 -0.827 601 H MET 78 H MET 78 -4.283 3.156 -3.917 602 HA MET 78 HA MET 78 -4.769 4.036 -6.499 603 HB2 MET 78 1HB MET 78 -2.590 3.790 -7.556 604 HB3 MET 78 2HB MET 78 -2.341 4.839 -6.174 605 HG2 MET 78 1HG MET 78 -1.755 2.659 -4.854 606 HG3 MET 78 2HG MET 78 -1.645 1.885 -6.422 607 HE1 MET 78 1HE MET 78 0.776 2.921 -3.924 608 HE2 MET 78 2HE MET 78 0.636 1.497 -4.982 609 HE3 MET 78 3HE MET 78 2.036 2.585 -5.135 610 H MET 79 H MET 79 -5.014 2.240 -7.993 611 HA MET 79 HA MET 79 -4.382 -0.360 -6.905 612 HB2 MET 79 1HB MET 79 -6.732 -1.150 -7.338 613 HB3 MET 79 2HB MET 79 -6.695 0.107 -6.117 614 HG2 MET 79 1HG MET 79 -7.334 1.812 -7.800 615 HG3 MET 79 2HG MET 79 -7.267 0.615 -9.078 616 HE1 MET 79 1HE MET 79 -10.806 1.754 -6.744 617 HE2 MET 79 2HE MET 79 -9.159 2.409 -6.582 618 HE3 MET 79 3HE MET 79 -9.993 2.476 -8.153 619 H HIS 80 H HIS 80 -4.604 -2.120 -8.568 620 HA HIS 80 HA HIS 80 -4.668 -2.906 -10.658 621 HB2 HIS 80 1HB HIS 80 -4.755 -0.124 -11.822 622 HB3 HIS 80 2HB HIS 80 -5.249 -1.633 -12.564 623 HD1 HIS 80 1HD HIS 80 -7.192 0.782 -12.408 624 HD2 HIS 80 2HD HIS 80 -7.055 -2.324 -9.592 625 HE1 HIS 80 1HE HIS 80 -9.476 0.745 -11.273 626 H ARG 81 H ARG 81 -2.439 -1.365 -8.957 627 HA ARG 81 HA ARG 81 -0.300 -2.407 -10.128 628 HB2 ARG 81 1HB ARG 81 -1.197 -0.163 -11.729 629 HB3 ARG 81 2HB ARG 81 0.338 0.269 -11.004 630 HG2 ARG 81 1HG ARG 81 1.505 -1.451 -12.090 631 HG3 ARG 81 2HG ARG 81 0.092 -2.479 -12.220 632 HD2 ARG 81 1HD ARG 81 -0.281 -1.717 -14.325 633 HD3 ARG 81 2HD ARG 81 -0.482 -0.089 -13.710 634 HE ARG 81 HE ARG 81 2.317 -0.655 -13.806 635 HH11 ARG 81 2HH2 ARG 81 -0.392 -0.143 -15.994 636 HH12 ARG 81 1HH2 ARG 81 0.596 0.469 -17.278 637 HH21 ARG 81 2HH1 ARG 81 3.620 0.152 -15.501 638 HH22 ARG 81 1HH1 ARG 81 2.893 0.638 -16.996 639 H VAL 82 H VAL 82 1.735 -0.413 -9.783 640 HA VAL 82 HA VAL 82 1.153 0.713 -7.146 641 HB VAL 82 HB VAL 82 3.635 -0.879 -7.811 642 HG11 VAL 82 1HG1 VAL 82 3.067 -0.568 -5.000 643 HG12 VAL 82 2HG1 VAL 82 4.499 -0.057 -5.926 644 HG13 VAL 82 3HG1 VAL 82 3.094 1.027 -5.791 645 HG21 VAL 82 1HG2 VAL 82 2.436 -2.336 -5.878 646 HG22 VAL 82 2HG2 VAL 82 0.998 -1.713 -6.723 647 HG23 VAL 82 3HG2 VAL 82 2.222 -2.646 -7.618 648 H ASN 83 H ASN 83 0.938 2.708 -8.406 649 HA ASN 83 HA ASN 83 3.138 3.572 -9.944 650 HB2 ASN 83 1HB ASN 83 0.476 4.624 -9.103 651 HB3 ASN 83 2HB ASN 83 1.687 5.871 -9.324 652 HD21 ASN 83 1HD2 ASN 83 1.416 6.773 -11.213 653 HD22 ASN 83 2HD2 ASN 83 1.171 5.977 -12.732 654 H THR 84 H THR 84 4.852 3.254 -8.221 655 HA THR 84 HA THR 84 4.999 4.225 -5.744 656 HB THR 84 HB THR 84 7.474 4.645 -6.331 657 HG1 THR 84 1HG THR 84 6.619 3.596 -8.900 658 HG21 THR 84 1HG2 THR 84 6.264 2.115 -7.564 659 HG22 THR 84 2HG2 THR 84 7.947 2.326 -7.024 660 HG23 THR 84 3HG2 THR 84 6.626 2.306 -5.832 661 H SER 85 H SER 85 5.625 6.265 -8.676 662 HA SER 85 HA SER 85 6.256 8.565 -7.558 663 HB2 SER 85 1HB SER 85 5.711 7.968 -10.036 664 HB3 SER 85 2HB SER 85 4.078 8.490 -9.675 665 HG SER 85 HG SER 85 4.847 10.587 -9.166 666 H LYS 86 H LYS 86 2.867 7.310 -7.895 667 HA LYS 86 HA LYS 86 1.663 9.519 -6.651 668 HB2 LYS 86 1HB LYS 86 0.802 7.323 -8.048 669 HB3 LYS 86 2HB LYS 86 0.299 6.912 -6.421 670 HG2 LYS 86 1HG LYS 86 -1.289 8.565 -6.353 671 HG3 LYS 86 2HG LYS 86 -0.243 9.740 -7.125 672 HD2 LYS 86 1HD LYS 86 -1.800 9.453 -8.824 673 HD3 LYS 86 2HD LYS 86 -0.647 8.218 -9.287 674 HE2 LYS 86 1HE LYS 86 -2.231 6.614 -9.042 675 HE3 LYS 86 2HE LYS 86 -2.428 7.040 -7.353 676 HZ1 LYS 86 1HZ LYS 86 -4.480 7.380 -8.364 677 HZ2 LYS 86 2HZ LYS 86 -3.874 8.886 -8.184 678 HZ3 LYS 86 3HZ LYS 86 -3.852 8.167 -9.650 679 H LEU 87 H LEU 87 2.647 6.257 -5.407 680 HA LEU 87 HA LEU 87 1.788 6.571 -2.824 681 HB2 LEU 87 1HB LEU 87 2.468 4.457 -3.348 682 HB3 LEU 87 2HB LEU 87 3.911 4.993 -4.185 683 HG LEU 87 HG LEU 87 4.961 5.533 -1.999 684 HD11 LEU 87 1HD1 LEU 87 2.728 5.864 -0.826 685 HD12 LEU 87 2HD1 LEU 87 2.655 4.091 -0.686 686 HD13 LEU 87 3HD1 LEU 87 3.989 4.989 0.077 687 HD21 LEU 87 1HD2 LEU 87 4.054 2.670 -1.881 688 HD22 LEU 87 2HD2 LEU 87 5.048 3.251 -3.239 689 HD23 LEU 87 3HD2 LEU 87 5.662 3.368 -1.573 690 H GLU 88 H GLU 88 5.176 7.185 -4.004 691 HA GLU 88 HA GLU 88 6.207 8.233 -1.794 692 HB2 GLU 88 1HB GLU 88 6.661 9.541 -4.502 693 HB3 GLU 88 2HB GLU 88 7.808 9.379 -3.187 694 HG2 GLU 88 1HG GLU 88 7.141 6.735 -3.608 695 HG3 GLU 88 2HG GLU 88 6.970 7.373 -5.231 696 H LYS 89 H LYS 89 4.355 10.121 -4.287 697 HA LYS 89 HA LYS 89 4.488 12.594 -3.222 698 HB2 LYS 89 1HB LYS 89 3.238 11.616 -5.310 699 HB3 LYS 89 2HB LYS 89 1.853 11.561 -4.238 700 HG2 LYS 89 1HG LYS 89 3.508 14.095 -4.410 701 HG3 LYS 89 2HG LYS 89 2.337 13.743 -5.664 702 HD2 LYS 89 1HD LYS 89 0.555 14.204 -4.304 703 HD3 LYS 89 2HD LYS 89 1.244 13.337 -2.946 704 HE2 LYS 89 1HE LYS 89 2.227 15.223 -2.059 705 HE3 LYS 89 2HE LYS 89 2.668 15.863 -3.630 706 HZ1 LYS 89 1HZ LYS 89 0.667 16.776 -2.133 707 HZ2 LYS 89 2HZ LYS 89 0.778 17.000 -3.747 708 HZ3 LYS 89 3HZ LYS 89 -0.148 15.794 -3.152 709 H GLN 90 H GLN 90 1.885 10.185 -2.408 710 HA GLN 90 HA GLN 90 0.758 11.666 -0.418 711 HB2 GLN 90 1HB GLN 90 1.000 8.634 -0.644 712 HB3 GLN 90 2HB GLN 90 -0.105 9.455 0.439 713 HG2 GLN 90 1HG GLN 90 -0.078 9.741 -2.603 714 HG3 GLN 90 2HG GLN 90 -1.222 8.780 -1.688 715 HE21 GLN 90 1HE2 GLN 90 -0.170 11.965 -2.578 716 HE22 GLN 90 2HE2 GLN 90 -1.531 12.861 -1.991 717 H LEU 91 H LEU 91 3.326 9.110 -0.131 718 HA LEU 91 HA LEU 91 3.693 9.024 2.521 719 HB2 LEU 91 1HB LEU 91 5.597 8.925 0.214 720 HB3 LEU 91 2HB LEU 91 6.223 8.866 1.850 721 HG LEU 91 HG LEU 91 4.137 6.947 0.781 722 HD11 LEU 91 1HD1 LEU 91 6.122 5.321 0.801 723 HD12 LEU 91 2HD1 LEU 91 6.008 6.482 -0.544 724 HD13 LEU 91 3HD1 LEU 91 7.147 6.775 0.792 725 HD21 LEU 91 1HD2 LEU 91 3.948 6.219 2.865 726 HD22 LEU 91 2HD2 LEU 91 5.699 5.909 2.939 727 HD23 LEU 91 3HD2 LEU 91 5.055 7.501 3.410 728 H ARG 92 H ARG 92 5.348 11.436 0.357 729 HA ARG 92 HA ARG 92 6.657 12.848 2.158 730 HB2 ARG 92 1HB ARG 92 5.047 13.760 -0.256 731 HB3 ARG 92 2HB ARG 92 5.943 14.932 0.690 732 HG2 ARG 92 1HG ARG 92 8.008 13.414 0.390 733 HG3 ARG 92 2HG ARG 92 7.067 12.505 -0.775 734 HD2 ARG 92 1HD ARG 92 8.038 14.023 -2.235 735 HD3 ARG 92 2HD ARG 92 6.621 14.959 -1.802 736 HE ARG 92 HE ARG 92 8.586 15.551 0.144 737 HH11 ARG 92 2HH2 ARG 92 8.169 15.931 -3.329 738 HH12 ARG 92 1HH2 ARG 92 9.165 17.344 -3.423 739 HH21 ARG 92 2HH1 ARG 92 9.901 17.416 0.020 740 HH22 ARG 92 1HH1 ARG 92 10.158 18.195 -1.505 741 H LYS 93 H LYS 93 3.211 13.566 1.196 742 HA LYS 93 HA LYS 93 2.846 14.691 3.884 743 HB2 LYS 93 1HB LYS 93 2.215 15.853 1.207 744 HB3 LYS 93 2HB LYS 93 1.060 16.123 2.496 745 HG2 LYS 93 1HG LYS 93 3.652 16.550 3.637 746 HG3 LYS 93 2HG LYS 93 3.656 17.369 2.087 747 HD2 LYS 93 1HD LYS 93 1.296 18.291 2.849 748 HD3 LYS 93 2HD LYS 93 1.817 17.825 4.456 749 HE2 LYS 93 1HE LYS 93 3.353 19.527 4.597 750 HE3 LYS 93 2HE LYS 93 3.883 19.324 2.938 751 HZ1 LYS 93 1HZ LYS 93 1.419 20.673 3.800 752 HZ2 LYS 93 2HZ LYS 93 2.756 21.392 3.199 753 HZ3 LYS 93 3HZ LYS 93 1.845 20.433 2.242 754 H LEU 94 H LEU 94 1.485 13.445 5.039 755 HA LEU 94 HA LEU 94 -0.847 12.377 3.656 756 HB2 LEU 94 1HB LEU 94 1.416 10.816 4.553 757 HB3 LEU 94 2HB LEU 94 -0.036 10.351 5.417 758 HG LEU 94 HG LEU 94 0.480 10.261 2.444 759 HD11 LEU 94 1HD1 LEU 94 0.325 8.318 4.639 760 HD12 LEU 94 2HD1 LEU 94 -0.640 7.877 3.209 761 HD13 LEU 94 3HD1 LEU 94 1.103 8.198 3.043 762 HD21 LEU 94 1HD2 LEU 94 -2.112 10.512 3.867 763 HD22 LEU 94 2HD2 LEU 94 -1.652 10.977 2.212 764 HD23 LEU 94 3HD2 LEU 94 -2.015 9.276 2.590 765 H SER 95 H SER 95 0.706 12.009 6.919 766 HA SER 95 HA SER 95 -1.673 12.240 8.268 767 HB2 SER 95 1HB SER 95 1.143 12.933 9.217 768 HB3 SER 95 2HB SER 95 -0.232 12.684 10.275 769 HG SER 95 HG SER 95 0.847 10.714 8.442 770 H GLY 96 H GLY 96 0.935 14.731 7.757 771 HA2 GLY 96 1HA GLY 96 0.510 16.954 7.197 772 HA3 GLY 96 2HA GLY 96 -1.126 16.815 7.809 773 HA PRO 97 HA PRO 97 1.461 18.767 11.039 774 HB2 PRO 97 1HB PRO 97 0.243 21.211 11.132 775 HB3 PRO 97 2HB PRO 97 1.696 20.899 10.202 776 HG2 PRO 97 1HG PRO 97 -1.081 21.236 9.245 777 HG3 PRO 97 2HG PRO 97 0.415 21.349 8.338 778 HD2 PRO 97 1HD PRO 97 -1.431 19.154 8.337 779 HD3 PRO 97 2HD PRO 97 0.119 19.220 7.523 780 H SER 98 H SER 98 0.944 17.644 12.816 781 HA SER 98 HA SER 98 -0.240 16.966 14.505 782 HB2 SER 98 1HB SER 98 -0.449 19.729 14.513 783 HB3 SER 98 2HB SER 98 -2.132 19.252 14.611 784 HG SER 98 HG SER 98 0.005 18.736 16.447 785 H SER 99 H SER 99 -1.391 15.167 13.766 786 HA SER 99 HA SER 99 -4.155 15.419 13.585 787 HB2 SER 99 1HB SER 99 -3.109 16.158 11.203 788 HB3 SER 99 2HB SER 99 -3.112 14.425 10.948 789 HG SER 99 HG SER 99 -5.507 15.043 12.028 790 H GLY 100 H GLY 100 -4.557 13.609 14.812 791 HA2 GLY 100 1HA GLY 100 -4.823 11.344 15.084 792 HA3 GLY 100 2HA GLY 100 -3.672 11.033 13.800 Start of MODEL 2 1 H1 GLY 1 H GLY 1 40.722 38.229 22.959 2 HA2 GLY 1 1HA GLY 1 41.476 36.488 20.806 3 HA3 GLY 1 2HA GLY 1 41.966 35.871 22.372 4 H SER 2 H SER 2 40.301 35.545 24.068 5 HA SER 2 HA SER 2 38.370 34.874 24.800 6 HB2 SER 2 1HB SER 2 37.549 37.105 23.941 7 HB3 SER 2 2HB SER 2 37.090 36.324 22.441 8 HG SER 2 HG SER 2 35.704 34.877 23.767 9 H SER 3 H SER 3 36.632 33.221 24.398 10 HA SER 3 HA SER 3 36.945 31.893 21.837 11 HB2 SER 3 1HB SER 3 36.996 30.415 24.503 12 HB3 SER 3 2HB SER 3 37.155 29.697 22.912 13 HG SER 3 HG SER 3 39.108 31.194 22.696 14 H GLY 4 H GLY 4 35.164 30.047 21.679 15 HA2 GLY 4 1HA GLY 4 32.763 30.742 23.218 16 HA3 GLY 4 2HA GLY 4 32.712 30.893 21.472 17 H SER 5 H SER 5 30.898 29.173 22.276 18 HA SER 5 HA SER 5 31.816 26.728 21.243 19 HB2 SER 5 1HB SER 5 31.679 25.291 23.120 20 HB3 SER 5 2HB SER 5 32.583 26.671 23.710 21 HG SER 5 HG SER 5 30.677 25.788 25.035 22 H SER 6 H SER 6 29.918 25.058 21.271 23 HA SER 6 HA SER 6 27.367 26.168 21.865 24 HB2 SER 6 1HB SER 6 28.464 26.406 19.171 25 HB3 SER 6 2HB SER 6 27.034 25.393 19.150 26 HG SER 6 HG SER 6 25.805 27.069 20.086 27 H GLY 7 H GLY 7 25.586 24.494 21.052 28 HA2 GLY 7 1HA GLY 7 26.732 21.770 21.101 29 HA3 GLY 7 2HA GLY 7 25.429 22.240 22.175 30 H ASN 8 H ASN 8 23.871 20.796 21.314 31 HA ASN 8 HA ASN 8 22.454 21.801 19.136 32 HB2 ASN 8 1HB ASN 8 24.565 19.976 18.438 33 HB3 ASN 8 2HB ASN 8 23.066 19.084 18.267 34 HD21 ASN 8 1HD2 ASN 8 25.122 21.481 16.997 35 HD22 ASN 8 2HD2 ASN 8 24.176 21.979 15.634 36 H LEU 9 H LEU 9 20.419 20.475 18.817 37 HA LEU 9 HA LEU 9 20.066 18.228 20.595 38 HB2 LEU 9 1HB LEU 9 19.051 20.930 21.193 39 HB3 LEU 9 2HB LEU 9 17.853 19.655 21.288 40 HG LEU 9 HG LEU 9 20.095 18.653 22.661 41 HD11 LEU 9 1HD1 LEU 9 21.087 20.858 22.752 42 HD12 LEU 9 2HD1 LEU 9 19.576 21.547 23.394 43 HD13 LEU 9 3HD1 LEU 9 20.511 20.389 24.370 44 HD21 LEU 9 1HD2 LEU 9 18.228 17.972 23.692 45 HD22 LEU 9 2HD2 LEU 9 18.386 19.472 24.636 46 HD23 LEU 9 3HD2 LEU 9 17.314 19.423 23.216 47 H SER 10 H SER 10 17.635 17.453 20.337 48 HA SER 10 HA SER 10 16.205 18.236 18.124 49 HB2 SER 10 1HB SER 10 18.494 16.574 17.466 50 HB3 SER 10 2HB SER 10 17.022 15.694 17.106 51 HG SER 10 HG SER 10 17.184 16.846 15.276 52 H ALA 11 H ALA 11 14.266 16.894 17.860 53 HA ALA 11 HA ALA 11 13.953 14.417 19.112 54 HB1 ALA 11 1HB ALA 11 13.768 15.033 21.274 55 HB2 ALA 11 2HB ALA 11 13.729 16.763 20.853 56 HB3 ALA 11 3HB ALA 11 12.230 15.805 20.819 57 H SER 12 H SER 12 11.914 13.520 18.581 58 HA SER 12 HA SER 12 9.783 15.135 17.766 59 HB2 SER 12 1HB SER 12 11.716 14.915 15.782 60 HB3 SER 12 2HB SER 12 10.628 13.603 15.372 61 HG SER 12 HG SER 12 8.847 15.230 15.540 62 H ASN 13 H ASN 13 8.029 13.636 16.627 63 HA ASN 13 HA ASN 13 8.116 11.166 18.112 64 HB2 ASN 13 1HB ASN 13 6.073 13.048 17.391 65 HB3 ASN 13 2HB ASN 13 5.674 11.561 16.554 66 HD21 ASN 13 1HD2 ASN 13 5.404 13.263 19.382 67 HD22 ASN 13 2HD2 ASN 13 4.959 12.002 20.483 68 H ARG 14 H ARG 14 7.201 9.145 16.920 69 HA ARG 14 HA ARG 14 7.848 9.283 14.090 70 HB2 ARG 14 1HB ARG 14 9.076 7.608 16.205 71 HB3 ARG 14 2HB ARG 14 8.503 6.661 14.847 72 HG2 ARG 14 1HG ARG 14 9.720 8.650 13.458 73 HG3 ARG 14 2HG ARG 14 10.663 8.751 14.932 74 HD2 ARG 14 1HD ARG 14 10.559 5.994 14.474 75 HD3 ARG 14 2HD ARG 14 10.652 6.643 12.849 76 HE ARG 14 HE ARG 14 12.799 6.564 14.736 77 HH11 ARG 14 2HH2 ARG 14 11.373 8.751 12.377 78 HH12 ARG 14 1HH2 ARG 14 12.856 9.590 12.067 79 HH21 ARG 14 2HH1 ARG 14 14.757 7.670 14.328 80 HH22 ARG 14 1HH1 ARG 14 14.794 8.971 13.184 81 H ALA 15 H ALA 15 6.335 8.254 12.756 82 HA ALA 15 HA ALA 15 4.764 6.084 13.593 83 HB1 ALA 15 1HB ALA 15 2.565 7.247 13.693 84 HB2 ALA 15 2HB ALA 15 3.651 7.739 15.015 85 HB3 ALA 15 3HB ALA 15 3.409 8.812 13.615 86 H LEU 16 H LEU 16 4.577 5.009 11.699 87 HA LEU 16 HA LEU 16 4.497 6.622 9.259 88 HB2 LEU 16 1HB LEU 16 5.073 3.675 9.574 89 HB3 LEU 16 2HB LEU 16 5.247 4.637 8.119 90 HG LEU 16 HG LEU 16 6.869 4.996 10.655 91 HD11 LEU 16 1HD1 LEU 16 8.114 3.299 9.957 92 HD12 LEU 16 2HD1 LEU 16 7.131 3.125 8.483 93 HD13 LEU 16 3HD1 LEU 16 8.519 4.239 8.501 94 HD21 LEU 16 1HD2 LEU 16 6.382 6.819 8.573 95 HD22 LEU 16 2HD2 LEU 16 7.619 6.922 9.849 96 HD23 LEU 16 3HD2 LEU 16 8.015 6.173 8.283 97 HA PRO 17 HA PRO 17 0.420 5.438 8.488 98 HB2 PRO 17 1HB PRO 17 0.306 5.423 5.758 99 HB3 PRO 17 2HB PRO 17 0.240 6.892 6.711 100 HG2 PRO 17 1HG PRO 17 2.485 5.817 5.116 101 HG3 PRO 17 2HG PRO 17 2.244 7.447 5.714 102 HD2 PRO 17 1HD PRO 17 4.018 5.468 6.793 103 HD3 PRO 17 2HD PRO 17 3.690 7.056 7.458 104 H VAL 18 H VAL 18 -1.137 3.857 7.572 105 HA VAL 18 HA VAL 18 0.296 1.302 7.381 106 HB VAL 18 HB VAL 18 -2.451 2.039 8.393 107 HG11 VAL 18 1HG1 VAL 18 -2.876 -0.323 8.773 108 HG12 VAL 18 2HG1 VAL 18 -2.555 -0.042 7.044 109 HG13 VAL 18 3HG1 VAL 18 -1.294 -0.751 8.081 110 HG21 VAL 18 1HG2 VAL 18 0.142 1.235 9.633 111 HG22 VAL 18 2HG2 VAL 18 -1.107 2.363 10.211 112 HG23 VAL 18 3HG2 VAL 18 -1.351 0.607 10.370 113 H LEU 19 H LEU 19 0.562 0.734 5.278 114 HA LEU 19 HA LEU 19 -1.476 1.544 3.372 115 HB2 LEU 19 1HB LEU 19 0.883 1.955 2.882 116 HB3 LEU 19 2HB LEU 19 1.226 0.241 3.006 117 HG LEU 19 HG LEU 19 -0.685 0.144 1.110 118 HD11 LEU 19 1HD1 LEU 19 0.681 2.803 0.614 119 HD12 LEU 19 2HD1 LEU 19 -0.484 1.980 -0.451 120 HD13 LEU 19 3HD1 LEU 19 -1.008 2.595 1.136 121 HD21 LEU 19 1HD2 LEU 19 1.699 0.760 -0.301 122 HD22 LEU 19 2HD2 LEU 19 2.168 -0.027 1.224 123 HD23 LEU 19 3HD2 LEU 19 1.035 -0.837 0.116 124 H THR 20 H THR 20 -3.238 0.264 3.212 125 HA THR 20 HA THR 20 -3.069 -2.515 3.945 126 HB THR 20 HB THR 20 -5.429 -1.093 2.648 127 HG1 THR 20 1HG THR 20 -5.493 0.165 4.481 128 HG21 THR 20 1HG2 THR 20 -5.038 -3.229 4.800 129 HG22 THR 20 2HG2 THR 20 -6.584 -2.376 4.575 130 HG23 THR 20 3HG2 THR 20 -5.925 -3.385 3.265 131 H LEU 21 H LEU 21 -1.866 -3.757 2.589 132 HA LEU 21 HA LEU 21 -2.278 -3.419 -0.267 133 HB2 LEU 21 1HB LEU 21 -0.041 -3.599 0.113 134 HB3 LEU 21 2HB LEU 21 -0.233 -4.674 1.484 135 HG LEU 21 HG LEU 21 -0.657 -6.563 0.034 136 HD11 LEU 21 1HD1 LEU 21 -1.847 -5.933 -1.808 137 HD12 LEU 21 2HD1 LEU 21 -0.881 -4.462 -2.075 138 HD13 LEU 21 3HD1 LEU 21 -0.225 -6.052 -2.531 139 HD21 LEU 21 1HD2 LEU 21 1.654 -5.595 -1.458 140 HD22 LEU 21 2HD2 LEU 21 1.767 -5.244 0.284 141 HD23 LEU 21 3HD2 LEU 21 1.520 -6.917 -0.273 142 H PHE 22 H PHE 22 -3.736 -4.595 -1.381 143 HA PHE 22 HA PHE 22 -4.756 -7.000 -0.050 144 HB2 PHE 22 1HB PHE 22 -5.852 -5.115 -2.224 145 HB3 PHE 22 2HB PHE 22 -6.707 -6.541 -1.671 146 HD1 PHE 22 2HD PHE 22 -7.105 -6.639 0.946 147 HD2 PHE 22 1HD PHE 22 -6.350 -3.084 -1.244 148 HE1 PHE 22 2HE PHE 22 -8.176 -5.288 2.770 149 HE2 PHE 22 1HE PHE 22 -7.422 -1.733 0.580 150 HZ PHE 22 HZ PHE 22 -8.322 -2.851 2.565 151 H THR 23 H THR 23 -3.485 -8.690 -0.788 152 HA THR 23 HA THR 23 -3.133 -8.862 -3.706 153 HB THR 23 HB THR 23 -0.975 -8.824 -2.696 154 HG1 THR 23 1HG THR 23 -1.819 -11.623 -2.523 155 HG21 THR 23 1HG2 THR 23 -0.500 -10.477 -0.742 156 HG22 THR 23 2HG2 THR 23 -1.401 -8.999 -0.328 157 HG23 THR 23 3HG2 THR 23 -2.265 -10.542 -0.526 158 H LYS 24 H LYS 24 -3.185 -11.092 -4.632 159 HA LYS 24 HA LYS 24 -4.641 -13.047 -3.127 160 HB2 LYS 24 1HB LYS 24 -6.648 -13.084 -4.397 161 HB3 LYS 24 2HB LYS 24 -6.423 -11.435 -3.849 162 HG2 LYS 24 1HG LYS 24 -6.219 -10.635 -5.977 163 HG3 LYS 24 2HG LYS 24 -5.106 -11.907 -6.441 164 HD2 LYS 24 1HD LYS 24 -7.532 -13.279 -6.176 165 HD3 LYS 24 2HD LYS 24 -8.032 -11.735 -6.838 166 HE2 LYS 24 1HE LYS 24 -5.792 -12.304 -8.382 167 HE3 LYS 24 2HE LYS 24 -6.442 -13.907 -8.102 168 HZ1 LYS 24 1HZ LYS 24 -8.605 -13.018 -8.837 169 HZ2 LYS 24 2HZ LYS 24 -7.875 -11.615 -9.248 170 HZ3 LYS 24 3HZ LYS 24 -7.465 -13.002 -10.007 171 H ALA 25 H ALA 25 -5.383 -14.816 -5.028 172 HA ALA 25 HA ALA 25 -3.323 -14.957 -7.052 173 HB1 ALA 25 1HB ALA 25 -2.334 -15.886 -4.898 174 HB2 ALA 25 2HB ALA 25 -3.569 -17.166 -4.978 175 HB3 ALA 25 3HB ALA 25 -2.360 -17.013 -6.275 176 HA PRO 26 HA PRO 26 -2.724 -16.473 -8.271 177 HB2 PRO 26 1HB PRO 26 -2.926 -16.697 -10.987 178 HB3 PRO 26 2HB PRO 26 -2.707 -18.074 -9.925 179 HG2 PRO 26 1HG PRO 26 -5.152 -17.189 -11.331 180 HG3 PRO 26 2HG PRO 26 -4.796 -18.754 -10.629 181 HD2 PRO 26 1HD PRO 26 -6.490 -16.722 -9.522 182 HD3 PRO 26 2HD PRO 26 -6.041 -18.238 -8.766 183 H CYS 27 H CYS 27 -1.480 -14.694 -8.494 184 HA CYS 27 HA CYS 27 -2.480 -12.623 -10.203 185 HB2 CYS 27 1HB CYS 27 -3.693 -12.314 -7.973 186 HB3 CYS 27 2HB CYS 27 -2.133 -11.922 -7.277 187 HG CYS 27 HG CYS 27 -3.996 -10.404 -9.489 188 HA PRO 28 HA PRO 28 1.966 -12.790 -10.133 189 HB2 PRO 28 1HB PRO 28 2.355 -11.878 -12.680 190 HB3 PRO 28 2HB PRO 28 2.139 -13.573 -12.292 191 HG2 PRO 28 1HG PRO 28 0.220 -11.695 -13.529 192 HG3 PRO 28 2HG PRO 28 0.191 -13.447 -13.521 193 HD2 PRO 28 1HD PRO 28 -1.417 -11.697 -11.915 194 HD3 PRO 28 2HD PRO 28 -1.362 -13.446 -11.826 195 H LEU 29 H LEU 29 -0.188 -10.218 -10.459 196 HA LEU 29 HA LEU 29 1.850 -8.208 -10.577 197 HB2 LEU 29 1HB LEU 29 -1.136 -8.164 -10.173 198 HB3 LEU 29 2HB LEU 29 -0.154 -6.715 -10.085 199 HG LEU 29 HG LEU 29 0.578 -7.038 -12.405 200 HD11 LEU 29 1HD1 LEU 29 -1.027 -9.574 -12.185 201 HD12 LEU 29 2HD1 LEU 29 -0.766 -8.781 -13.758 202 HD13 LEU 29 3HD1 LEU 29 0.627 -9.329 -12.795 203 HD21 LEU 29 1HD2 LEU 29 -2.222 -7.238 -13.019 204 HD22 LEU 29 2HD2 LEU 29 -2.001 -6.305 -11.519 205 HD23 LEU 29 3HD2 LEU 29 -1.164 -5.807 -13.008 206 H CYS 30 H CYS 30 -0.505 -9.372 -8.067 207 HA CYS 30 HA CYS 30 0.154 -7.812 -6.008 208 HB2 CYS 30 1HB CYS 30 -0.657 -9.481 -4.551 209 HB3 CYS 30 2HB CYS 30 -1.500 -9.746 -6.064 210 HG CYS 30 HG CYS 30 -0.884 -12.061 -5.027 211 H ASP 31 H ASP 31 2.039 -10.554 -7.374 212 HA ASP 31 HA ASP 31 3.920 -10.673 -5.339 213 HB2 ASP 31 1HB ASP 31 3.914 -12.519 -6.801 214 HB3 ASP 31 2HB ASP 31 3.797 -11.517 -8.234 215 H GLU 32 H GLU 32 4.022 -9.168 -8.664 216 HA GLU 32 HA GLU 32 6.489 -7.988 -8.365 217 HB2 GLU 32 1HB GLU 32 4.657 -8.226 -10.392 218 HB3 GLU 32 2HB GLU 32 4.484 -6.523 -10.018 219 HG2 GLU 32 1HG GLU 32 6.353 -6.128 -11.237 220 HG3 GLU 32 2HG GLU 32 7.278 -6.958 -10.002 221 H ALA 33 H ALA 33 3.171 -6.589 -7.878 222 HA ALA 33 HA ALA 33 3.705 -4.048 -7.274 223 HB1 ALA 33 1HB ALA 33 1.504 -4.285 -6.873 224 HB2 ALA 33 2HB ALA 33 1.691 -6.028 -6.563 225 HB3 ALA 33 3HB ALA 33 1.931 -4.859 -5.243 226 H LYS 34 H LYS 34 3.828 -6.726 -4.812 227 HA LYS 34 HA LYS 34 4.745 -5.295 -2.702 228 HB2 LYS 34 1HB LYS 34 5.405 -8.127 -3.552 229 HB3 LYS 34 2HB LYS 34 5.837 -7.462 -1.989 230 HG2 LYS 34 1HG LYS 34 3.584 -7.250 -1.299 231 HG3 LYS 34 2HG LYS 34 2.974 -7.221 -2.941 232 HD2 LYS 34 1HD LYS 34 2.824 -9.498 -3.051 233 HD3 LYS 34 2HD LYS 34 4.409 -9.728 -2.341 234 HE2 LYS 34 1HE LYS 34 2.195 -8.766 -0.532 235 HE3 LYS 34 2HE LYS 34 2.154 -10.441 -1.046 236 HZ1 LYS 34 1HZ LYS 34 4.558 -10.481 -0.316 237 HZ2 LYS 34 2HZ LYS 34 4.253 -9.079 0.463 238 HZ3 LYS 34 3HZ LYS 34 3.428 -10.431 0.861 239 H GLU 35 H GLU 35 6.750 -6.815 -5.315 240 HA GLU 35 HA GLU 35 9.180 -6.076 -4.335 241 HB2 GLU 35 1HB GLU 35 8.464 -6.086 -7.294 242 HB3 GLU 35 2HB GLU 35 10.025 -6.436 -6.578 243 HG2 GLU 35 1HG GLU 35 8.568 -8.311 -5.270 244 HG3 GLU 35 2HG GLU 35 7.558 -8.154 -6.693 245 H VAL 36 H VAL 36 6.674 -4.119 -5.881 246 HA VAL 36 HA VAL 36 8.446 -1.942 -6.472 247 HB VAL 36 HB VAL 36 5.427 -1.980 -6.365 248 HG11 VAL 36 1HG1 VAL 36 5.478 -0.082 -7.748 249 HG12 VAL 36 2HG1 VAL 36 6.760 0.219 -6.550 250 HG13 VAL 36 3HG1 VAL 36 7.184 -0.333 -8.189 251 HG21 VAL 36 1HG2 VAL 36 6.990 -2.462 -8.891 252 HG22 VAL 36 2HG2 VAL 36 6.627 -3.816 -7.794 253 HG23 VAL 36 3HG2 VAL 36 5.300 -2.867 -8.506 254 H LEU 37 H LEU 37 6.766 -3.189 -3.696 255 HA LEU 37 HA LEU 37 6.920 -0.575 -2.386 256 HB2 LEU 37 1HB LEU 37 5.432 -3.107 -1.688 257 HB3 LEU 37 2HB LEU 37 5.535 -1.712 -0.631 258 HG LEU 37 HG LEU 37 4.103 -1.984 -3.265 259 HD11 LEU 37 1HD1 LEU 37 2.264 -0.926 -1.888 260 HD12 LEU 37 2HD1 LEU 37 2.759 -2.565 -1.404 261 HD13 LEU 37 3HD1 LEU 37 3.312 -1.156 -0.467 262 HD21 LEU 37 1HD2 LEU 37 3.640 0.511 -3.061 263 HD22 LEU 37 2HD2 LEU 37 5.040 0.574 -1.963 264 HD23 LEU 37 3HD2 LEU 37 5.252 0.035 -3.646 265 H GLN 38 H GLN 38 9.170 -2.565 -3.123 266 HA GLN 38 HA GLN 38 9.999 -3.678 -0.687 267 HB2 GLN 38 1HB GLN 38 11.000 -3.459 -3.445 268 HB3 GLN 38 2HB GLN 38 12.296 -3.362 -2.270 269 HG2 GLN 38 1HG GLN 38 10.655 -5.442 -1.299 270 HG3 GLN 38 2HG GLN 38 10.646 -5.674 -3.036 271 HE21 GLN 38 1HE2 GLN 38 13.203 -4.503 -3.548 272 HE22 GLN 38 2HE2 GLN 38 14.428 -5.589 -2.981 273 HA PRO 39 HA PRO 39 12.705 0.221 -0.529 274 HB2 PRO 39 1HB PRO 39 12.203 2.293 -2.238 275 HB3 PRO 39 2HB PRO 39 13.428 1.077 -2.540 276 HG2 PRO 39 1HG PRO 39 10.769 1.383 -3.797 277 HG3 PRO 39 2HG PRO 39 12.152 0.466 -4.362 278 HD2 PRO 39 1HD PRO 39 9.791 -0.582 -3.113 279 HD3 PRO 39 2HD PRO 39 11.222 -1.483 -3.573 280 H TYR 40 H TYR 40 9.483 -0.092 -0.449 281 HA TYR 40 HA TYR 40 9.280 2.273 1.286 282 HB2 TYR 40 1HB TYR 40 7.149 0.962 -0.511 283 HB3 TYR 40 2HB TYR 40 6.943 2.451 0.390 284 HD1 TYR 40 1HD TYR 40 8.212 4.513 -0.309 285 HD2 TYR 40 2HD TYR 40 8.167 0.949 -2.676 286 HE1 TYR 40 1HE TYR 40 9.004 5.837 -2.330 287 HE2 TYR 40 2HE TYR 40 8.958 2.285 -4.689 288 HH TYR 40 HH TYR 40 9.124 4.379 -5.504 289 H LYS 41 H LYS 41 9.874 -0.738 1.690 290 HA LYS 41 HA LYS 41 7.497 -1.669 3.012 291 HB2 LYS 41 1HB LYS 41 8.755 -3.674 3.424 292 HB3 LYS 41 2HB LYS 41 9.015 -3.179 1.764 293 HG2 LYS 41 1HG LYS 41 11.235 -3.416 2.253 294 HG3 LYS 41 2HG LYS 41 11.077 -1.842 3.007 295 HD2 LYS 41 1HD LYS 41 11.277 -2.696 5.122 296 HD3 LYS 41 2HD LYS 41 10.216 -4.048 4.782 297 HE2 LYS 41 1HE LYS 41 12.099 -5.175 3.533 298 HE3 LYS 41 2HE LYS 41 13.153 -3.842 3.960 299 HZ1 LYS 41 1HZ LYS 41 13.132 -4.444 6.148 300 HZ2 LYS 41 2HZ LYS 41 11.710 -5.241 6.066 301 HZ3 LYS 41 3HZ LYS 41 13.060 -5.913 5.439 302 H ASP 42 H ASP 42 10.227 0.343 3.750 303 HA ASP 42 HA ASP 42 9.804 -0.135 6.586 304 HB2 ASP 42 1HB ASP 42 12.154 -0.155 5.425 305 HB3 ASP 42 2HB ASP 42 11.986 1.588 5.351 306 H ARG 43 H ARG 43 9.111 1.970 3.929 307 HA ARG 43 HA ARG 43 9.165 4.414 5.283 308 HB2 ARG 43 1HB ARG 43 7.847 3.411 2.733 309 HB3 ARG 43 2HB ARG 43 7.511 5.032 3.310 310 HG2 ARG 43 1HG ARG 43 10.350 4.697 3.469 311 HG3 ARG 43 2HG ARG 43 9.866 4.048 1.915 312 HD2 ARG 43 1HD ARG 43 8.372 6.458 2.235 313 HD3 ARG 43 2HD ARG 43 9.996 6.836 2.774 314 HE ARG 43 HE ARG 43 9.173 6.187 0.044 315 HH11 ARG 43 2HH2 ARG 43 11.882 6.220 2.290 316 HH12 ARG 43 1HH2 ARG 43 13.081 6.291 1.042 317 HH21 ARG 43 2HH1 ARG 43 10.755 6.280 -1.603 318 HH22 ARG 43 1HH1 ARG 43 12.435 6.325 -1.187 319 H PHE 44 H PHE 44 6.790 1.782 4.920 320 HA PHE 44 HA PHE 44 5.162 3.026 6.952 321 HB2 PHE 44 1HB PHE 44 3.114 2.584 5.417 322 HB3 PHE 44 2HB PHE 44 4.124 3.933 4.938 323 HD1 PHE 44 2HD PHE 44 3.820 0.261 4.324 324 HD2 PHE 44 1HD PHE 44 4.762 4.078 2.726 325 HE1 PHE 44 2HE PHE 44 4.109 -0.762 2.050 326 HE2 PHE 44 1HE PHE 44 5.050 3.055 0.452 327 HZ PHE 44 HZ PHE 44 4.721 0.647 0.142 328 H ILE 45 H ILE 45 3.094 1.417 7.254 329 HA ILE 45 HA ILE 45 4.336 -1.203 7.550 330 HB ILE 45 HB ILE 45 1.900 0.067 8.799 331 HG12 ILE 45 1HG1 ILE 45 4.317 -0.868 10.305 332 HG13 ILE 45 2HG1 ILE 45 4.408 0.647 9.428 333 HG21 ILE 45 1HG2 ILE 45 2.505 -2.712 8.450 334 HG22 ILE 45 2HG2 ILE 45 2.647 -2.294 10.175 335 HG23 ILE 45 3HG2 ILE 45 1.136 -1.953 9.297 336 HD11 ILE 45 1HD1 ILE 45 3.013 1.722 10.885 337 HD12 ILE 45 2HD1 ILE 45 1.909 0.331 10.998 338 HD13 ILE 45 3HD1 ILE 45 3.393 0.371 11.980 339 H LEU 46 H LEU 46 4.164 -2.320 5.641 340 HA LEU 46 HA LEU 46 1.870 -2.068 3.986 341 HB2 LEU 46 1HB LEU 46 4.140 -2.525 3.161 342 HB3 LEU 46 2HB LEU 46 4.119 -4.084 3.960 343 HG LEU 46 HG LEU 46 2.225 -4.788 2.528 344 HD11 LEU 46 1HD1 LEU 46 0.989 -3.056 1.769 345 HD12 LEU 46 2HD1 LEU 46 2.386 -1.959 1.653 346 HD13 LEU 46 3HD1 LEU 46 2.097 -3.170 0.381 347 HD21 LEU 46 1HD2 LEU 46 4.893 -4.691 1.908 348 HD22 LEU 46 2HD2 LEU 46 3.649 -5.577 0.994 349 HD23 LEU 46 3HD2 LEU 46 4.147 -3.950 0.472 350 H GLN 47 H GLN 47 -0.087 -2.724 4.741 351 HA GLN 47 HA GLN 47 -0.146 -5.128 6.343 352 HB2 GLN 47 1HB GLN 47 -1.415 -2.830 6.779 353 HB3 GLN 47 2HB GLN 47 -2.596 -3.495 5.667 354 HG2 GLN 47 1HG GLN 47 -2.602 -5.619 7.124 355 HG3 GLN 47 2HG GLN 47 -1.648 -4.726 8.292 356 HE21 GLN 47 1HE2 GLN 47 -3.030 -4.489 9.919 357 HE22 GLN 47 2HE2 GLN 47 -4.557 -3.674 9.849 358 H GLU 48 H GLU 48 0.007 -6.924 5.007 359 HA GLU 48 HA GLU 48 -1.309 -6.925 2.493 360 HB2 GLU 48 1HB GLU 48 0.563 -8.667 3.985 361 HB3 GLU 48 2HB GLU 48 -0.578 -9.559 2.998 362 HG2 GLU 48 1HG GLU 48 0.322 -8.798 1.020 363 HG3 GLU 48 2HG GLU 48 0.606 -7.186 1.646 364 H VAL 49 H VAL 49 -3.523 -7.024 2.438 365 HA VAL 49 HA VAL 49 -4.853 -8.682 4.438 366 HB VAL 49 HB VAL 49 -5.847 -6.595 2.490 367 HG11 VAL 49 1HG1 VAL 49 -7.783 -7.767 2.641 368 HG12 VAL 49 2HG1 VAL 49 -7.290 -8.603 4.134 369 HG13 VAL 49 3HG1 VAL 49 -7.911 -6.936 4.210 370 HG21 VAL 49 1HG2 VAL 49 -5.089 -6.589 5.381 371 HG22 VAL 49 2HG2 VAL 49 -4.891 -5.328 4.140 372 HG23 VAL 49 3HG2 VAL 49 -6.485 -5.602 4.884 373 H ASP 50 H ASP 50 -5.536 -10.700 3.943 374 HA ASP 50 HA ASP 50 -5.214 -11.576 1.254 375 HB2 ASP 50 1HB ASP 50 -5.755 -12.795 3.929 376 HB3 ASP 50 2HB ASP 50 -6.436 -13.669 2.571 377 H ILE 51 H ILE 51 -6.875 -10.896 -0.147 378 HA ILE 51 HA ILE 51 -9.570 -10.680 0.840 379 HB ILE 51 HB ILE 51 -10.045 -9.899 -1.449 380 HG12 ILE 51 1HG1 ILE 51 -7.090 -10.021 -2.029 381 HG13 ILE 51 2HG1 ILE 51 -8.139 -11.366 -2.428 382 HG21 ILE 51 1HG2 ILE 51 -9.188 -7.790 -1.099 383 HG22 ILE 51 2HG2 ILE 51 -9.060 -8.500 0.529 384 HG23 ILE 51 3HG2 ILE 51 -7.621 -8.401 -0.515 385 HD11 ILE 51 1HD1 ILE 51 -7.923 -8.704 -3.704 386 HD12 ILE 51 2HD1 ILE 51 -8.514 -10.242 -4.377 387 HD13 ILE 51 3HD1 ILE 51 -9.600 -9.220 -3.404 388 H THR 52 H THR 52 -7.555 -13.175 -0.323 389 HA THR 52 HA THR 52 -9.576 -14.609 -1.775 390 HB THR 52 HB THR 52 -7.791 -16.310 -1.913 391 HG1 THR 52 1HG THR 52 -6.243 -14.555 -0.191 392 HG21 THR 52 1HG2 THR 52 -5.730 -14.487 -2.178 393 HG22 THR 52 2HG2 THR 52 -6.933 -14.811 -3.450 394 HG23 THR 52 3HG2 THR 52 -7.149 -13.426 -2.352 395 H LEU 53 H LEU 53 -9.377 -13.807 1.426 396 HA LEU 53 HA LEU 53 -10.108 -16.424 2.432 397 HB2 LEU 53 1HB LEU 53 -9.511 -13.748 3.642 398 HB3 LEU 53 2HB LEU 53 -10.376 -14.955 4.571 399 HG LEU 53 HG LEU 53 -7.640 -15.354 3.328 400 HD11 LEU 53 1HD1 LEU 53 -7.433 -13.732 5.069 401 HD12 LEU 53 2HD1 LEU 53 -8.457 -14.689 6.166 402 HD13 LEU 53 3HD1 LEU 53 -6.846 -15.288 5.703 403 HD21 LEU 53 1HD2 LEU 53 -8.014 -17.228 5.349 404 HD22 LEU 53 2HD2 LEU 53 -9.569 -17.199 4.484 405 HD23 LEU 53 3HD2 LEU 53 -8.062 -17.522 3.594 406 HA PRO 54 HA PRO 54 -14.365 -15.739 2.291 407 HB2 PRO 54 1HB PRO 54 -15.292 -17.032 4.513 408 HB3 PRO 54 2HB PRO 54 -14.836 -17.864 3.040 409 HG2 PRO 54 1HG PRO 54 -13.372 -17.694 5.602 410 HG3 PRO 54 2HG PRO 54 -13.161 -18.838 4.291 411 HD2 PRO 54 1HD PRO 54 -11.484 -16.591 4.895 412 HD3 PRO 54 2HD PRO 54 -11.341 -17.665 3.518 413 H GLU 55 H GLU 55 -12.995 -14.987 5.430 414 HA GLU 55 HA GLU 55 -15.159 -13.350 6.143 415 HB2 GLU 55 1HB GLU 55 -13.731 -12.654 8.017 416 HB3 GLU 55 2HB GLU 55 -13.628 -14.389 7.796 417 HG2 GLU 55 1HG GLU 55 -11.496 -14.130 6.548 418 HG3 GLU 55 2HG GLU 55 -11.610 -12.386 6.675 419 H ASN 56 H ASN 56 -12.372 -12.943 4.075 420 HA ASN 56 HA ASN 56 -12.699 -10.059 4.198 421 HB2 ASN 56 1HB ASN 56 -10.508 -11.792 2.938 422 HB3 ASN 56 2HB ASN 56 -10.532 -10.041 2.866 423 HD21 ASN 56 1HD2 ASN 56 -8.625 -11.917 4.077 424 HD22 ASN 56 2HD2 ASN 56 -8.462 -11.472 5.743 425 H SER 57 H SER 57 -14.103 -12.587 2.679 426 HA SER 57 HA SER 57 -13.727 -12.428 0.029 427 HB2 SER 57 1HB SER 57 -15.243 -14.047 1.031 428 HB3 SER 57 2HB SER 57 -16.322 -12.783 1.585 429 HG SER 57 HG SER 57 -17.035 -12.405 -0.496 430 H THR 58 H THR 58 -15.135 -10.009 2.163 431 HA THR 58 HA THR 58 -16.623 -8.593 0.215 432 HB THR 58 HB THR 58 -15.546 -8.113 3.010 433 HG1 THR 58 1HG THR 58 -18.093 -8.082 1.549 434 HG21 THR 58 1HG2 THR 58 -16.720 -5.915 3.015 435 HG22 THR 58 2HG2 THR 58 -15.367 -5.888 1.859 436 HG23 THR 58 3HG2 THR 58 -17.036 -6.076 1.270 437 H TRP 59 H TRP 59 -13.380 -7.893 1.693 438 HA TRP 59 HA TRP 59 -12.731 -5.722 0.209 439 HB2 TRP 59 1HB TRP 59 -11.109 -7.963 1.361 440 HB3 TRP 59 2HB TRP 59 -10.326 -6.739 0.382 441 HD1 TRP 59 HD TRP 59 -11.483 -7.327 3.890 442 HE1 TRP 59 1HE TRP 59 -11.231 -5.197 5.427 443 HE3 TRP 59 3HE TRP 59 -10.612 -4.049 0.102 444 HZ2 TRP 59 2HZ TRP 59 -10.707 -2.442 4.898 445 HZ3 TRP 59 3HZ TRP 59 -10.241 -1.657 0.698 446 HH2 TRP 59 HH TRP 59 -10.278 -0.838 3.000 447 H TYR 60 H TYR 60 -12.841 -9.167 -0.740 448 HA TYR 60 HA TYR 60 -11.527 -8.735 -3.242 449 HB2 TYR 60 1HB TYR 60 -11.754 -10.876 -1.756 450 HB3 TYR 60 2HB TYR 60 -13.428 -10.953 -2.268 451 HD1 TYR 60 1HD TYR 60 -13.997 -11.471 -4.633 452 HD2 TYR 60 2HD TYR 60 -9.956 -11.544 -3.229 453 HE1 TYR 60 1HE TYR 60 -13.299 -12.794 -6.688 454 HE2 TYR 60 2HE TYR 60 -9.272 -12.867 -5.289 455 HH TYR 60 HH TYR 60 -11.685 -13.744 -7.751 456 H GLU 61 H GLU 61 -14.948 -9.503 -2.268 457 HA GLU 61 HA GLU 61 -16.046 -9.427 -4.733 458 HB2 GLU 61 1HB GLU 61 -17.152 -8.577 -2.032 459 HB3 GLU 61 2HB GLU 61 -18.156 -8.596 -3.468 460 HG2 GLU 61 1HG GLU 61 -16.622 -11.087 -3.233 461 HG3 GLU 61 2HG GLU 61 -17.561 -10.792 -1.783 462 H ARG 62 H ARG 62 -14.835 -6.743 -2.777 463 HA ARG 62 HA ARG 62 -16.166 -4.832 -4.460 464 HB2 ARG 62 1HB ARG 62 -15.229 -3.147 -2.932 465 HB3 ARG 62 2HB ARG 62 -15.935 -4.442 -1.987 466 HG2 ARG 62 1HG ARG 62 -13.767 -5.409 -1.509 467 HG3 ARG 62 2HG ARG 62 -12.977 -4.413 -2.715 468 HD2 ARG 62 1HD ARG 62 -12.458 -3.311 -0.679 469 HD3 ARG 62 2HD ARG 62 -13.795 -2.370 -1.311 470 HE ARG 62 HE ARG 62 -14.739 -4.540 0.376 471 HH11 ARG 62 2HH2 ARG 62 -13.358 -1.304 0.461 472 HH12 ARG 62 1HH2 ARG 62 -14.023 -0.923 2.015 473 HH21 ARG 62 2HH1 ARG 62 -15.616 -4.038 2.425 474 HH22 ARG 62 1HH1 ARG 62 -15.316 -2.488 3.139 475 H TYR 63 H TYR 63 -13.003 -6.368 -3.960 476 HA TYR 63 HA TYR 63 -12.008 -4.915 -6.299 477 HB2 TYR 63 1HB TYR 63 -10.682 -5.445 -3.568 478 HB3 TYR 63 2HB TYR 63 -9.776 -4.889 -4.961 479 HD1 TYR 63 2HD TYR 63 -11.394 -2.807 -6.148 480 HD2 TYR 63 1HD TYR 63 -10.821 -3.731 -2.010 481 HE1 TYR 63 2HE TYR 63 -11.929 -0.400 -5.528 482 HE2 TYR 63 1HE TYR 63 -11.358 -1.321 -1.405 483 HH TYR 63 HH TYR 63 -11.665 0.700 -2.176 484 H LYS 64 H LYS 64 -12.837 -7.109 -7.151 485 HA LYS 64 HA LYS 64 -10.891 -9.219 -6.576 486 HB2 LYS 64 1HB LYS 64 -12.517 -10.760 -7.478 487 HB3 LYS 64 2HB LYS 64 -13.269 -9.773 -6.241 488 HG2 LYS 64 1HG LYS 64 -14.049 -8.218 -8.166 489 HG3 LYS 64 2HG LYS 64 -13.554 -9.493 -9.261 490 HD2 LYS 64 1HD LYS 64 -15.450 -10.668 -8.851 491 HD3 LYS 64 2HD LYS 64 -15.142 -10.656 -7.126 492 HE2 LYS 64 1HE LYS 64 -15.963 -8.045 -7.527 493 HE3 LYS 64 2HE LYS 64 -16.905 -8.880 -8.747 494 HZ1 LYS 64 1HZ LYS 64 -18.180 -9.723 -7.180 495 HZ2 LYS 64 2HZ LYS 64 -16.919 -10.307 -6.322 496 HZ3 LYS 64 3HZ LYS 64 -17.432 -8.776 -6.080 497 H PHE 65 H PHE 65 -11.844 -6.798 -8.885 498 HA PHE 65 HA PHE 65 -9.987 -8.015 -10.801 499 HB2 PHE 65 1HB PHE 65 -11.605 -6.703 -12.465 500 HB3 PHE 65 2HB PHE 65 -12.123 -8.260 -11.849 501 HD1 PHE 65 2HD PHE 65 -12.361 -4.623 -11.058 502 HD2 PHE 65 1HD PHE 65 -14.201 -8.441 -10.840 503 HE1 PHE 65 2HE PHE 65 -14.443 -3.567 -10.138 504 HE2 PHE 65 1HE PHE 65 -16.284 -7.384 -9.920 505 HZ PHE 65 HZ PHE 65 -16.380 -4.960 -9.580 506 H ASP 66 H ASP 66 -10.268 -5.656 -8.582 507 HA ASP 66 HA ASP 66 -9.022 -3.689 -10.339 508 HB2 ASP 66 1HB ASP 66 -10.107 -2.860 -7.667 509 HB3 ASP 66 2HB ASP 66 -10.055 -1.959 -9.168 510 H ILE 67 H ILE 67 -7.778 -6.017 -8.935 511 HA ILE 67 HA ILE 67 -6.239 -4.618 -6.863 512 HB ILE 67 HB ILE 67 -5.624 -7.266 -6.606 513 HG12 ILE 67 1HG1 ILE 67 -8.553 -7.104 -7.376 514 HG13 ILE 67 2HG1 ILE 67 -7.294 -7.934 -8.269 515 HG21 ILE 67 1HG2 ILE 67 -7.997 -6.382 -5.083 516 HG22 ILE 67 2HG2 ILE 67 -6.415 -6.970 -4.520 517 HG23 ILE 67 3HG2 ILE 67 -6.601 -5.279 -5.042 518 HD11 ILE 67 1HD1 ILE 67 -8.824 -8.874 -5.991 519 HD12 ILE 67 2HD1 ILE 67 -7.676 -9.775 -7.011 520 HD13 ILE 67 3HD1 ILE 67 -7.090 -8.881 -5.588 521 HA PRO 68 HA PRO 68 -4.554 -5.796 -5.847 522 HB2 PRO 68 1HB PRO 68 -2.105 -4.823 -5.125 523 HB3 PRO 68 2HB PRO 68 -2.412 -6.523 -5.417 524 HG2 PRO 68 1HG PRO 68 -1.001 -4.574 -7.134 525 HG3 PRO 68 2HG PRO 68 -0.954 -6.325 -7.193 526 HD2 PRO 68 1HD PRO 68 -2.397 -4.587 -8.960 527 HD3 PRO 68 2HD PRO 68 -2.441 -6.339 -8.946 528 H VAL 69 H VAL 69 -5.130 -4.395 -4.170 529 HA VAL 69 HA VAL 69 -5.286 -1.640 -5.165 530 HB VAL 69 HB VAL 69 -6.973 -3.246 -3.249 531 HG11 VAL 69 1HG1 VAL 69 -6.639 -1.007 -2.293 532 HG12 VAL 69 2HG1 VAL 69 -7.158 -0.270 -3.828 533 HG13 VAL 69 3HG1 VAL 69 -8.311 -1.224 -2.865 534 HG21 VAL 69 1HG2 VAL 69 -7.501 -3.602 -5.588 535 HG22 VAL 69 2HG2 VAL 69 -8.788 -2.629 -4.835 536 HG23 VAL 69 3HG2 VAL 69 -7.574 -1.847 -5.876 537 H PHE 70 H PHE 70 -4.757 0.111 -3.728 538 HA PHE 70 HA PHE 70 -3.261 -0.727 -1.353 539 HB2 PHE 70 1HB PHE 70 -2.540 1.312 -3.543 540 HB3 PHE 70 2HB PHE 70 -1.634 1.147 -2.051 541 HD1 PHE 70 2HD PHE 70 -2.472 -0.479 -5.239 542 HD2 PHE 70 1HD PHE 70 -0.099 -0.671 -1.727 543 HE1 PHE 70 2HE PHE 70 -1.043 -2.247 -6.302 544 HE2 PHE 70 1HE PHE 70 1.331 -2.439 -2.790 545 HZ PHE 70 HZ PHE 70 0.841 -3.206 -5.065 546 H HIS 71 H HIS 71 -4.171 0.204 0.413 547 HA HIS 71 HA HIS 71 -5.460 2.801 -0.002 548 HB2 HIS 71 1HB HIS 71 -6.050 0.593 1.984 549 HB3 HIS 71 2HB HIS 71 -6.761 2.192 2.071 550 HD1 HIS 71 1HD HIS 71 -9.019 0.613 1.803 551 HD2 HIS 71 2HD HIS 71 -6.604 1.135 -1.588 552 HE1 HIS 71 1HE HIS 71 -10.460 -0.018 -0.206 553 H LEU 72 H LEU 72 -4.346 4.508 0.787 554 HA LEU 72 HA LEU 72 -2.405 3.955 2.908 555 HB2 LEU 72 1HB LEU 72 -2.194 5.300 0.481 556 HB3 LEU 72 2HB LEU 72 -2.289 6.584 1.670 557 HG LEU 72 HG LEU 72 -0.224 4.397 1.434 558 HD11 LEU 72 1HD1 LEU 72 1.125 6.711 1.820 559 HD12 LEU 72 2HD1 LEU 72 0.674 6.069 0.222 560 HD13 LEU 72 3HD1 LEU 72 -0.330 7.320 0.995 561 HD21 LEU 72 1HD2 LEU 72 -0.377 4.265 3.698 562 HD22 LEU 72 2HD2 LEU 72 0.686 5.687 3.581 563 HD23 LEU 72 3HD2 LEU 72 -1.058 5.901 3.866 564 H ASN 73 H ASN 73 -2.990 4.443 4.947 565 HA ASN 73 HA ASN 73 -3.912 5.428 6.643 566 HB2 ASN 73 1HB ASN 73 -3.890 7.672 4.638 567 HB3 ASN 73 2HB ASN 73 -4.931 7.898 6.030 568 HD21 ASN 73 1HD2 ASN 73 -1.897 8.332 4.825 569 HD22 ASN 73 2HD2 ASN 73 -0.979 8.513 6.282 570 H GLY 74 H GLY 74 -5.538 3.594 5.417 571 HA2 GLY 74 1HA GLY 74 -7.657 2.930 5.070 572 HA3 GLY 74 2HA GLY 74 -8.108 4.182 6.211 573 H GLN 75 H GLN 75 -6.562 4.565 2.961 574 HA GLN 75 HA GLN 75 -9.043 5.444 1.853 575 HB2 GLN 75 1HB GLN 75 -7.269 7.369 3.029 576 HB3 GLN 75 2HB GLN 75 -7.169 7.573 1.292 577 HG2 GLN 75 1HG GLN 75 -9.657 7.722 1.156 578 HG3 GLN 75 2HG GLN 75 -9.773 7.489 2.889 579 HE21 GLN 75 1HE2 GLN 75 -10.163 9.729 0.721 580 HE22 GLN 75 2HE2 GLN 75 -9.556 11.154 1.496 581 H PHE 76 H PHE 76 -9.074 4.576 -0.172 582 HA PHE 76 HA PHE 76 -7.111 3.187 -1.340 583 HB2 PHE 76 1HB PHE 76 -9.130 3.078 -2.525 584 HB3 PHE 76 2HB PHE 76 -9.531 4.744 -2.160 585 HD1 PHE 76 2HD PHE 76 -7.226 2.739 -4.298 586 HD2 PHE 76 1HD PHE 76 -9.458 6.320 -3.856 587 HE1 PHE 76 2HE PHE 76 -6.636 3.397 -6.648 588 HE2 PHE 76 1HE PHE 76 -8.869 6.978 -6.205 589 HZ PHE 76 HZ PHE 76 -7.464 5.508 -7.573 590 H LEU 77 H LEU 77 -5.057 3.637 -1.962 591 HA LEU 77 HA LEU 77 -4.423 6.409 -2.605 592 HB2 LEU 77 1HB LEU 77 -2.687 5.964 -1.325 593 HB3 LEU 77 2HB LEU 77 -3.102 4.264 -1.243 594 HG LEU 77 HG LEU 77 -1.947 4.082 -3.561 595 HD11 LEU 77 1HD1 LEU 77 -0.125 5.733 -3.894 596 HD12 LEU 77 2HD1 LEU 77 -1.753 6.427 -4.081 597 HD13 LEU 77 3HD1 LEU 77 -0.825 6.724 -2.592 598 HD21 LEU 77 1HD2 LEU 77 -0.625 2.931 -2.192 599 HD22 LEU 77 2HD2 LEU 77 0.353 4.409 -2.034 600 HD23 LEU 77 3HD2 LEU 77 -0.918 4.051 -0.840 601 H MET 78 H MET 78 -4.248 3.058 -3.934 602 HA MET 78 HA MET 78 -4.736 3.958 -6.512 603 HB2 MET 78 1HB MET 78 -2.550 3.686 -7.565 604 HB3 MET 78 2HB MET 78 -2.315 4.756 -6.197 605 HG2 MET 78 1HG MET 78 -1.746 2.578 -4.847 606 HG3 MET 78 2HG MET 78 -1.591 1.808 -6.414 607 HE1 MET 78 1HE MET 78 0.714 2.891 -3.843 608 HE2 MET 78 2HE MET 78 0.683 1.463 -4.904 609 HE3 MET 78 3HE MET 78 2.046 2.605 -4.987 610 H MET 79 H MET 79 -4.987 2.173 -8.019 611 HA MET 79 HA MET 79 -4.393 -0.438 -6.921 612 HB2 MET 79 1HB MET 79 -6.769 -1.165 -7.562 613 HB3 MET 79 2HB MET 79 -6.697 -0.074 -6.193 614 HG2 MET 79 1HG MET 79 -7.239 1.855 -7.660 615 HG3 MET 79 2HG MET 79 -7.223 0.815 -9.071 616 HE1 MET 79 1HE MET 79 -9.155 2.594 -6.745 617 HE2 MET 79 2HE MET 79 -9.908 2.580 -8.358 618 HE3 MET 79 3HE MET 79 -10.802 1.952 -6.953 619 H HIS 80 H HIS 80 -4.524 -2.187 -8.583 620 HA HIS 80 HA HIS 80 -4.516 -2.983 -10.670 621 HB2 HIS 80 1HB HIS 80 -4.569 -0.241 -11.905 622 HB3 HIS 80 2HB HIS 80 -5.120 -1.764 -12.574 623 HD1 HIS 80 1HD HIS 80 -7.005 0.671 -12.564 624 HD2 HIS 80 2HD HIS 80 -6.897 -2.206 -9.514 625 HE1 HIS 80 1HE HIS 80 -9.273 0.778 -11.400 626 H ARG 81 H ARG 81 -2.360 -1.397 -8.913 627 HA ARG 81 HA ARG 81 -0.169 -2.417 -9.967 628 HB2 ARG 81 1HB ARG 81 -1.041 -0.198 -11.660 629 HB3 ARG 81 2HB ARG 81 0.526 0.168 -10.967 630 HG2 ARG 81 1HG ARG 81 1.548 -1.759 -11.932 631 HG3 ARG 81 2HG ARG 81 0.011 -2.558 -12.198 632 HD2 ARG 81 1HD ARG 81 -0.460 -1.332 -14.131 633 HD3 ARG 81 2HD ARG 81 0.424 0.080 -13.587 634 HE ARG 81 HE ARG 81 2.332 -0.768 -14.629 635 HH11 ARG 81 2HH2 ARG 81 0.099 -3.423 -14.038 636 HH12 ARG 81 1HH2 ARG 81 1.066 -4.591 -14.875 637 HH21 ARG 81 2HH1 ARG 81 3.608 -2.309 -15.733 638 HH22 ARG 81 1HH1 ARG 81 3.075 -3.953 -15.846 639 H VAL 82 H VAL 82 1.830 -0.400 -9.644 640 HA VAL 82 HA VAL 82 1.139 0.827 -7.075 641 HB VAL 82 HB VAL 82 3.625 -0.785 -7.686 642 HG11 VAL 82 1HG1 VAL 82 3.363 1.368 -5.945 643 HG12 VAL 82 2HG1 VAL 82 3.149 -0.054 -4.897 644 HG13 VAL 82 3HG1 VAL 82 4.618 0.108 -5.888 645 HG21 VAL 82 1HG2 VAL 82 2.426 -2.554 -7.036 646 HG22 VAL 82 2HG2 VAL 82 2.323 -1.814 -5.421 647 HG23 VAL 82 3HG2 VAL 82 1.033 -1.529 -6.614 648 H ASN 83 H ASN 83 0.861 2.767 -8.408 649 HA ASN 83 HA ASN 83 2.965 3.681 -10.003 650 HB2 ASN 83 1HB ASN 83 0.350 4.685 -9.008 651 HB3 ASN 83 2HB ASN 83 1.529 5.963 -9.230 652 HD21 ASN 83 1HD2 ASN 83 0.947 6.932 -11.037 653 HD22 ASN 83 2HD2 ASN 83 0.728 6.187 -12.586 654 H THR 84 H THR 84 4.847 3.459 -8.510 655 HA THR 84 HA THR 84 5.179 4.353 -6.012 656 HB THR 84 HB THR 84 7.562 4.743 -6.698 657 HG1 THR 84 1HG THR 84 6.374 4.356 -9.352 658 HG21 THR 84 1HG2 THR 84 6.419 2.336 -6.773 659 HG22 THR 84 2HG2 THR 84 6.567 2.542 -8.535 660 HG23 THR 84 3HG2 THR 84 8.022 2.569 -7.510 661 H SER 85 H SER 85 5.429 6.489 -8.930 662 HA SER 85 HA SER 85 6.078 8.785 -7.787 663 HB2 SER 85 1HB SER 85 4.737 7.973 -10.184 664 HB3 SER 85 2HB SER 85 3.840 9.337 -9.545 665 HG SER 85 HG SER 85 6.646 9.224 -10.227 666 H LYS 86 H LYS 86 2.704 7.446 -7.962 667 HA LYS 86 HA LYS 86 1.540 9.558 -6.526 668 HB2 LYS 86 1HB LYS 86 0.645 7.392 -7.974 669 HB3 LYS 86 2HB LYS 86 0.219 6.934 -6.337 670 HG2 LYS 86 1HG LYS 86 -1.359 8.593 -6.139 671 HG3 LYS 86 2HG LYS 86 -0.370 9.777 -6.970 672 HD2 LYS 86 1HD LYS 86 -2.160 9.435 -8.477 673 HD3 LYS 86 2HD LYS 86 -0.892 8.425 -9.142 674 HE2 LYS 86 1HE LYS 86 -2.111 6.530 -8.820 675 HE3 LYS 86 2HE LYS 86 -2.424 6.935 -7.143 676 HZ1 LYS 86 1HZ LYS 86 -3.966 7.686 -9.501 677 HZ2 LYS 86 2HZ LYS 86 -4.483 6.999 -8.112 678 HZ3 LYS 86 3HZ LYS 86 -4.077 8.581 -8.139 679 H LEU 87 H LEU 87 2.344 6.167 -5.478 680 HA LEU 87 HA LEU 87 1.738 6.322 -2.876 681 HB2 LEU 87 1HB LEU 87 2.487 4.280 -3.570 682 HB3 LEU 87 2HB LEU 87 3.879 4.935 -4.410 683 HG LEU 87 HG LEU 87 5.062 5.273 -2.323 684 HD11 LEU 87 1HD1 LEU 87 2.699 4.093 -0.850 685 HD12 LEU 87 2HD1 LEU 87 4.187 4.791 -0.167 686 HD13 LEU 87 3HD1 LEU 87 3.005 5.841 -0.986 687 HD21 LEU 87 1HD2 LEU 87 5.189 2.885 -1.535 688 HD22 LEU 87 2HD2 LEU 87 3.843 2.523 -2.642 689 HD23 LEU 87 3HD2 LEU 87 5.388 3.125 -3.288 690 H GLU 88 H GLU 88 5.109 7.045 -4.034 691 HA GLU 88 HA GLU 88 6.062 8.079 -1.766 692 HB2 GLU 88 1HB GLU 88 6.607 9.254 -4.526 693 HB3 GLU 88 2HB GLU 88 7.677 9.319 -3.140 694 HG2 GLU 88 1HG GLU 88 7.262 6.611 -3.287 695 HG3 GLU 88 2HG GLU 88 7.085 7.033 -4.978 696 H LYS 89 H LYS 89 4.223 9.895 -4.311 697 HA LYS 89 HA LYS 89 4.352 12.406 -3.335 698 HB2 LYS 89 1HB LYS 89 3.085 11.345 -5.373 699 HB3 LYS 89 2HB LYS 89 1.713 11.321 -4.284 700 HG2 LYS 89 1HG LYS 89 3.377 13.839 -4.689 701 HG3 LYS 89 2HG LYS 89 2.047 13.441 -5.758 702 HD2 LYS 89 1HD LYS 89 1.207 13.143 -2.978 703 HD3 LYS 89 2HD LYS 89 1.903 14.733 -3.221 704 HE2 LYS 89 1HE LYS 89 0.401 14.879 -5.347 705 HE3 LYS 89 2HE LYS 89 -0.439 13.479 -4.711 706 HZ1 LYS 89 1HZ LYS 89 -0.275 16.158 -3.587 707 HZ2 LYS 89 2HZ LYS 89 -1.588 15.215 -3.814 708 HZ3 LYS 89 3HZ LYS 89 -0.554 14.894 -2.592 709 H GLN 90 H GLN 90 1.754 10.028 -2.419 710 HA GLN 90 HA GLN 90 0.660 11.574 -0.459 711 HB2 GLN 90 1HB GLN 90 0.870 8.536 -0.630 712 HB3 GLN 90 2HB GLN 90 -0.195 9.381 0.475 713 HG2 GLN 90 1HG GLN 90 -0.257 9.601 -2.572 714 HG3 GLN 90 2HG GLN 90 -1.399 8.704 -1.591 715 HE21 GLN 90 1HE2 GLN 90 -0.271 11.832 -2.596 716 HE22 GLN 90 2HE2 GLN 90 -1.590 12.785 -2.001 717 H LEU 91 H LEU 91 3.205 8.999 -0.129 718 HA LEU 91 HA LEU 91 3.607 8.965 2.512 719 HB2 LEU 91 1HB LEU 91 5.564 8.913 0.231 720 HB3 LEU 91 2HB LEU 91 6.098 8.732 1.890 721 HG LEU 91 HG LEU 91 3.966 6.954 0.699 722 HD11 LEU 91 1HD1 LEU 91 6.933 6.840 0.355 723 HD12 LEU 91 2HD1 LEU 91 6.038 5.318 0.580 724 HD13 LEU 91 3HD1 LEU 91 5.627 6.400 -0.771 725 HD21 LEU 91 1HD2 LEU 91 4.896 7.274 3.300 726 HD22 LEU 91 2HD2 LEU 91 3.956 5.905 2.661 727 HD23 LEU 91 3HD2 LEU 91 5.733 5.818 2.711 728 H ARG 92 H ARG 92 5.294 11.327 0.317 729 HA ARG 92 HA ARG 92 6.598 12.778 2.064 730 HB2 ARG 92 1HB ARG 92 4.965 13.599 -0.353 731 HB3 ARG 92 2HB ARG 92 5.748 14.849 0.592 732 HG2 ARG 92 1HG ARG 92 7.790 14.342 -0.268 733 HG3 ARG 92 2HG ARG 92 7.604 12.642 0.116 734 HD2 ARG 92 1HD ARG 92 7.545 12.355 -2.157 735 HD3 ARG 92 2HD ARG 92 5.872 12.856 -2.015 736 HE ARG 92 HE ARG 92 7.306 15.251 -2.194 737 HH11 ARG 92 2HH2 ARG 92 6.958 12.373 -4.188 738 HH12 ARG 92 1HH2 ARG 92 7.240 13.214 -5.676 739 HH21 ARG 92 2HH1 ARG 92 7.679 16.361 -4.156 740 HH22 ARG 92 1HH1 ARG 92 7.654 15.498 -5.657 741 H LYS 93 H LYS 93 3.124 13.466 1.188 742 HA LYS 93 HA LYS 93 2.762 14.464 3.916 743 HB2 LYS 93 1HB LYS 93 1.931 16.494 3.284 744 HB3 LYS 93 2HB LYS 93 3.116 16.262 2.015 745 HG2 LYS 93 1HG LYS 93 1.168 15.119 0.682 746 HG3 LYS 93 2HG LYS 93 0.107 15.862 1.861 747 HD2 LYS 93 1HD LYS 93 2.145 17.707 0.715 748 HD3 LYS 93 2HD LYS 93 0.994 17.090 -0.453 749 HE2 LYS 93 1HE LYS 93 -0.843 18.103 0.600 750 HE3 LYS 93 2HE LYS 93 -0.086 18.089 2.180 751 HZ1 LYS 93 1HZ LYS 93 -0.104 20.142 0.343 752 HZ2 LYS 93 2HZ LYS 93 0.635 20.116 1.800 753 HZ3 LYS 93 3HZ LYS 93 1.449 19.651 0.462 754 H LEU 94 H LEU 94 1.147 13.385 4.906 755 HA LEU 94 HA LEU 94 -1.054 12.444 3.224 756 HB2 LEU 94 1HB LEU 94 0.914 10.820 4.622 757 HB3 LEU 94 2HB LEU 94 -0.718 10.475 5.159 758 HG LEU 94 HG LEU 94 0.316 10.332 2.315 759 HD11 LEU 94 1HD1 LEU 94 1.006 8.319 2.996 760 HD12 LEU 94 2HD1 LEU 94 0.046 8.388 4.493 761 HD13 LEU 94 3HD1 LEU 94 -0.716 7.871 2.970 762 HD21 LEU 94 1HD2 LEU 94 -2.476 10.134 3.421 763 HD22 LEU 94 2HD2 LEU 94 -1.878 11.037 2.009 764 HD23 LEU 94 3HD2 LEU 94 -2.008 9.264 1.940 765 H SER 95 H SER 95 -0.028 12.265 6.707 766 HA SER 95 HA SER 95 -1.046 12.839 8.536 767 HB2 SER 95 1HB SER 95 -2.070 15.090 6.759 768 HB3 SER 95 2HB SER 95 -2.378 15.044 8.484 769 HG SER 95 HG SER 95 -0.255 15.408 8.936 770 H GLY 96 H GLY 96 -2.336 10.845 8.501 771 HA2 GLY 96 1HA GLY 96 -5.200 11.382 7.991 772 HA3 GLY 96 2HA GLY 96 -4.427 9.886 7.505 773 HA PRO 97 HA PRO 97 -5.894 9.566 11.871 774 HB2 PRO 97 1HB PRO 97 -8.099 7.986 11.539 775 HB3 PRO 97 2HB PRO 97 -8.184 9.729 11.693 776 HG2 PRO 97 1HG PRO 97 -8.493 8.067 9.269 777 HG3 PRO 97 2HG PRO 97 -8.984 9.728 9.530 778 HD2 PRO 97 1HD PRO 97 -6.700 8.827 8.048 779 HD3 PRO 97 2HD PRO 97 -7.127 10.488 8.408 780 H SER 98 H SER 98 -6.025 7.632 13.317 781 HA SER 98 HA SER 98 -4.844 5.376 11.913 782 HB2 SER 98 1HB SER 98 -3.185 6.942 13.238 783 HB3 SER 98 2HB SER 98 -3.862 6.180 14.664 784 HG SER 98 HG SER 98 -2.513 4.880 12.457 785 H SER 99 H SER 99 -5.009 3.301 13.240 786 HA SER 99 HA SER 99 -7.059 3.467 15.277 787 HB2 SER 99 1HB SER 99 -8.161 2.995 13.045 788 HB3 SER 99 2HB SER 99 -7.221 1.520 12.935 789 HG SER 99 HG SER 99 -8.358 0.600 14.601 790 H GLY 100 H GLY 100 -7.237 1.304 16.497 791 HA2 GLY 100 1HA GLY 100 -4.662 0.419 17.242 792 HA3 GLY 100 2HA GLY 100 -6.200 -0.255 17.743 Start of MODEL 3 1 H1 GLY 1 H GLY 1 28.104 38.382 14.884 2 HA2 GLY 1 1HA GLY 1 26.819 37.926 16.742 3 HA3 GLY 1 2HA GLY 1 27.785 39.024 17.707 4 H SER 2 H SER 2 24.728 38.653 16.821 5 HA SER 2 HA SER 2 24.288 41.495 16.794 6 HB2 SER 2 1HB SER 2 24.219 40.127 14.373 7 HB3 SER 2 2HB SER 2 22.534 40.098 14.857 8 HG SER 2 HG SER 2 22.365 42.233 14.566 9 H SER 3 H SER 3 21.975 42.026 17.344 10 HA SER 3 HA SER 3 21.075 40.335 19.361 11 HB2 SER 3 1HB SER 3 19.083 41.891 19.398 12 HB3 SER 3 2HB SER 3 20.632 42.703 19.498 13 HG SER 3 HG SER 3 19.927 43.850 17.835 14 H GLY 4 H GLY 4 19.026 39.127 19.493 15 HA2 GLY 4 1HA GLY 4 17.494 38.666 17.104 16 HA3 GLY 4 2HA GLY 4 18.554 37.330 17.507 17 H SER 5 H SER 5 18.181 36.060 19.397 18 HA SER 5 HA SER 5 17.049 35.166 21.020 19 HB2 SER 5 1HB SER 5 16.987 37.815 21.700 20 HB3 SER 5 2HB SER 5 15.267 37.499 21.584 21 HG SER 5 HG SER 5 15.665 35.611 23.037 22 H SER 6 H SER 6 16.062 33.855 19.259 23 HA SER 6 HA SER 6 13.211 34.157 19.339 24 HB2 SER 6 1HB SER 6 14.690 34.048 16.672 25 HB3 SER 6 2HB SER 6 12.950 34.006 16.874 26 HG SER 6 HG SER 6 14.750 36.189 17.461 27 H GLY 7 H GLY 7 12.298 32.131 19.563 28 HA2 GLY 7 1HA GLY 7 13.821 29.819 18.547 29 HA3 GLY 7 2HA GLY 7 13.297 29.871 20.218 30 H ASN 8 H ASN 8 11.585 28.494 20.459 31 HA ASN 8 HA ASN 8 9.608 27.633 20.226 32 HB2 ASN 8 1HB ASN 8 9.014 29.917 18.269 33 HB3 ASN 8 2HB ASN 8 7.807 28.878 19.001 34 HD21 ASN 8 1HD2 ASN 8 8.815 31.844 19.122 35 HD22 ASN 8 2HD2 ASN 8 8.724 32.239 20.805 36 H LEU 9 H LEU 9 9.619 25.672 19.113 37 HA LEU 9 HA LEU 9 9.752 25.816 16.187 38 HB2 LEU 9 1HB LEU 9 11.473 24.309 18.080 39 HB3 LEU 9 2HB LEU 9 10.954 23.463 16.636 40 HG LEU 9 HG LEU 9 12.156 26.198 16.360 41 HD11 LEU 9 1HD1 LEU 9 14.032 25.582 17.394 42 HD12 LEU 9 2HD1 LEU 9 13.522 23.879 17.492 43 HD13 LEU 9 3HD1 LEU 9 14.306 24.490 16.015 44 HD21 LEU 9 1HD2 LEU 9 12.099 25.712 14.197 45 HD22 LEU 9 2HD2 LEU 9 13.022 24.214 14.460 46 HD23 LEU 9 3HD2 LEU 9 11.247 24.201 14.595 47 H SER 10 H SER 10 9.011 23.561 15.253 48 HA SER 10 HA SER 10 6.667 22.824 16.824 49 HB2 SER 10 1HB SER 10 7.105 23.335 13.916 50 HB3 SER 10 2HB SER 10 6.077 21.964 14.286 51 HG SER 10 HG SER 10 5.705 24.630 15.360 52 H ALA 11 H ALA 11 5.925 20.494 16.504 53 HA ALA 11 HA ALA 11 8.116 18.721 15.728 54 HB1 ALA 11 1HB ALA 11 6.770 17.690 18.068 55 HB2 ALA 11 2HB ALA 11 8.499 18.046 17.835 56 HB3 ALA 11 3HB ALA 11 7.398 19.320 18.413 57 H SER 12 H SER 12 7.190 16.328 15.784 58 HA SER 12 HA SER 12 4.374 16.309 15.193 59 HB2 SER 12 1HB SER 12 4.847 15.026 13.022 60 HB3 SER 12 2HB SER 12 5.143 16.752 12.982 61 HG SER 12 HG SER 12 6.894 15.526 12.023 62 H ASN 13 H ASN 13 3.453 14.148 15.348 63 HA ASN 13 HA ASN 13 4.617 12.567 17.234 64 HB2 ASN 13 1HB ASN 13 2.190 12.623 15.901 65 HB3 ASN 13 2HB ASN 13 2.882 11.153 15.245 66 HD21 ASN 13 1HD2 ASN 13 0.615 11.163 16.810 67 HD22 ASN 13 2HD2 ASN 13 0.918 10.375 18.323 68 H ARG 14 H ARG 14 5.437 10.251 16.980 69 HA ARG 14 HA ARG 14 6.903 10.025 14.476 70 HB2 ARG 14 1HB ARG 14 7.597 9.376 17.341 71 HB3 ARG 14 2HB ARG 14 8.285 8.349 16.099 72 HG2 ARG 14 1HG ARG 14 8.458 11.379 15.894 73 HG3 ARG 14 2HG ARG 14 9.625 10.472 16.835 74 HD2 ARG 14 1HD ARG 14 9.016 9.740 13.941 75 HD3 ARG 14 2HD ARG 14 10.205 10.964 14.341 76 HE ARG 14 HE ARG 14 10.538 8.102 14.612 77 HH11 ARG 14 2HH2 ARG 14 11.449 11.162 16.092 78 HH12 ARG 14 1HH2 ARG 14 12.913 10.540 16.777 79 HH21 ARG 14 2HH1 ARG 14 12.470 7.282 15.515 80 HH22 ARG 14 1HH1 ARG 14 13.498 8.319 16.447 81 H ALA 15 H ALA 15 5.323 8.799 13.314 82 HA ALA 15 HA ALA 15 5.256 6.020 13.991 83 HB1 ALA 15 1HB ALA 15 2.868 7.808 14.411 84 HB2 ALA 15 2HB ALA 15 2.622 6.144 13.830 85 HB3 ALA 15 3HB ALA 15 3.439 6.432 15.385 86 H LEU 16 H LEU 16 4.941 4.777 12.138 87 HA LEU 16 HA LEU 16 4.888 6.304 9.680 88 HB2 LEU 16 1HB LEU 16 5.499 3.443 10.386 89 HB3 LEU 16 2HB LEU 16 5.297 3.960 8.724 90 HG LEU 16 HG LEU 16 7.408 4.867 10.692 91 HD11 LEU 16 1HD1 LEU 16 7.283 2.854 8.611 92 HD12 LEU 16 2HD1 LEU 16 8.568 4.042 8.286 93 HD13 LEU 16 3HD1 LEU 16 8.542 3.161 9.832 94 HD21 LEU 16 1HD2 LEU 16 8.204 6.079 8.452 95 HD22 LEU 16 2HD2 LEU 16 6.446 6.152 8.185 96 HD23 LEU 16 3HD2 LEU 16 7.154 6.870 9.652 97 HA PRO 17 HA PRO 17 0.759 5.415 8.791 98 HB2 PRO 17 1HB PRO 17 0.735 5.585 6.064 99 HB3 PRO 17 2HB PRO 17 0.703 6.989 7.112 100 HG2 PRO 17 1HG PRO 17 2.949 5.918 5.516 101 HG3 PRO 17 2HG PRO 17 2.762 7.514 6.215 102 HD2 PRO 17 1HD PRO 17 4.408 5.387 7.210 103 HD3 PRO 17 2HD PRO 17 4.131 6.941 7.971 104 H VAL 18 H VAL 18 -0.835 3.930 7.915 105 HA VAL 18 HA VAL 18 0.497 1.353 7.481 106 HB VAL 18 HB VAL 18 -2.227 2.089 8.561 107 HG11 VAL 18 1HG1 VAL 18 -1.067 -0.683 8.117 108 HG12 VAL 18 2HG1 VAL 18 -2.633 -0.298 8.871 109 HG13 VAL 18 3HG1 VAL 18 -2.360 0.064 7.149 110 HG21 VAL 18 1HG2 VAL 18 0.356 1.169 9.770 111 HG22 VAL 18 2HG2 VAL 18 -0.820 2.369 10.358 112 HG23 VAL 18 3HG2 VAL 18 -1.172 0.631 10.506 113 H LEU 19 H LEU 19 0.575 0.685 5.405 114 HA LEU 19 HA LEU 19 -1.455 1.749 3.588 115 HB2 LEU 19 1HB LEU 19 0.815 2.244 2.976 116 HB3 LEU 19 2HB LEU 19 1.279 0.560 3.118 117 HG LEU 19 HG LEU 19 -0.638 0.283 1.259 118 HD11 LEU 19 1HD1 LEU 19 -0.855 2.077 -0.225 119 HD12 LEU 19 2HD1 LEU 19 -1.011 2.820 1.385 120 HD13 LEU 19 3HD1 LEU 19 0.519 2.957 0.486 121 HD21 LEU 19 1HD2 LEU 19 2.122 0.115 1.353 122 HD22 LEU 19 2HD2 LEU 19 1.075 -0.408 0.012 123 HD23 LEU 19 3HD2 LEU 19 1.819 1.209 -0.018 124 H THR 20 H THR 20 -3.182 0.480 3.203 125 HA THR 20 HA THR 20 -3.080 -2.311 3.884 126 HB THR 20 HB THR 20 -5.351 -0.940 2.415 127 HG1 THR 20 1HG THR 20 -5.153 0.599 4.003 128 HG21 THR 20 1HG2 THR 20 -6.028 -3.091 3.147 129 HG22 THR 20 2HG2 THR 20 -4.999 -3.022 4.597 130 HG23 THR 20 3HG2 THR 20 -6.502 -2.072 4.527 131 H LEU 21 H LEU 21 -2.509 -3.968 2.631 132 HA LEU 21 HA LEU 21 -2.518 -3.467 -0.265 133 HB2 LEU 21 1HB LEU 21 -0.287 -3.615 0.163 134 HB3 LEU 21 2HB LEU 21 -0.493 -4.670 1.547 135 HG LEU 21 HG LEU 21 -0.827 -6.591 0.142 136 HD11 LEU 21 1HD1 LEU 21 -0.322 -5.296 -2.448 137 HD12 LEU 21 2HD1 LEU 21 -1.473 -6.578 -2.002 138 HD13 LEU 21 3HD1 LEU 21 -1.883 -4.871 -1.706 139 HD21 LEU 21 1HD2 LEU 21 1.354 -6.883 -0.246 140 HD22 LEU 21 2HD2 LEU 21 1.431 -5.523 -1.391 141 HD23 LEU 21 3HD2 LEU 21 1.546 -5.220 0.359 142 H PHE 22 H PHE 22 -3.951 -4.671 -1.380 143 HA PHE 22 HA PHE 22 -4.925 -7.099 -0.052 144 HB2 PHE 22 1HB PHE 22 -6.080 -5.118 -2.098 145 HB3 PHE 22 2HB PHE 22 -6.876 -6.637 -1.737 146 HD1 PHE 22 1HD PHE 22 -7.486 -7.061 0.749 147 HD2 PHE 22 2HD PHE 22 -6.553 -3.231 -0.822 148 HE1 PHE 22 1HE PHE 22 -8.671 -5.980 2.681 149 HE2 PHE 22 2HE PHE 22 -7.738 -2.150 1.109 150 HZ PHE 22 HZ PHE 22 -8.782 -3.538 2.837 151 H THR 23 H THR 23 -3.582 -8.721 -0.839 152 HA THR 23 HA THR 23 -3.260 -8.834 -3.760 153 HB THR 23 HB THR 23 -1.104 -8.858 -2.776 154 HG1 THR 23 1HG THR 23 -1.986 -11.641 -2.554 155 HG21 THR 23 1HG2 THR 23 -2.376 -10.582 -0.593 156 HG22 THR 23 2HG2 THR 23 -0.614 -10.418 -0.788 157 HG23 THR 23 3HG2 THR 23 -1.603 -8.991 -0.397 158 H LYS 24 H LYS 24 -3.110 -11.190 -4.607 159 HA LYS 24 HA LYS 24 -4.672 -13.110 -3.215 160 HB2 LYS 24 1HB LYS 24 -6.634 -13.151 -4.565 161 HB3 LYS 24 2HB LYS 24 -6.446 -11.515 -3.966 162 HG2 LYS 24 1HG LYS 24 -6.160 -10.655 -6.063 163 HG3 LYS 24 2HG LYS 24 -5.040 -11.920 -6.527 164 HD2 LYS 24 1HD LYS 24 -7.488 -13.278 -6.364 165 HD3 LYS 24 2HD LYS 24 -7.947 -11.718 -7.017 166 HE2 LYS 24 1HE LYS 24 -5.673 -13.411 -8.152 167 HE3 LYS 24 2HE LYS 24 -7.313 -13.462 -8.766 168 HZ1 LYS 24 1HZ LYS 24 -7.017 -11.545 -9.803 169 HZ2 LYS 24 2HZ LYS 24 -6.304 -10.815 -8.528 170 HZ3 LYS 24 3HZ LYS 24 -5.416 -11.734 -9.545 171 H ALA 25 H ALA 25 -5.349 -14.865 -5.154 172 HA ALA 25 HA ALA 25 -3.273 -14.979 -7.148 173 HB1 ALA 25 1HB ALA 25 -2.252 -15.838 -4.970 174 HB2 ALA 25 2HB ALA 25 -3.420 -17.179 -5.058 175 HB3 ALA 25 3HB ALA 25 -2.210 -16.966 -6.346 176 HA PRO 26 HA PRO 26 -2.600 -16.561 -8.298 177 HB2 PRO 26 1HB PRO 26 -2.760 -16.903 -11.004 178 HB3 PRO 26 2HB PRO 26 -2.526 -18.229 -9.883 179 HG2 PRO 26 1HG PRO 26 -4.969 -17.458 -11.356 180 HG3 PRO 26 2HG PRO 26 -4.589 -18.984 -10.584 181 HD2 PRO 26 1HD PRO 26 -6.342 -16.945 -9.586 182 HD3 PRO 26 2HD PRO 26 -5.871 -18.418 -8.761 183 H CYS 27 H CYS 27 -1.403 -14.759 -8.556 184 HA CYS 27 HA CYS 27 -2.392 -12.792 -10.385 185 HB2 CYS 27 1HB CYS 27 -3.731 -12.386 -8.275 186 HB3 CYS 27 2HB CYS 27 -2.227 -12.002 -7.461 187 HG CYS 27 HG CYS 27 -2.916 -10.684 -10.389 188 HA PRO 28 HA PRO 28 2.050 -12.829 -10.116 189 HB2 PRO 28 1HB PRO 28 2.528 -12.044 -12.690 190 HB3 PRO 28 2HB PRO 28 2.342 -13.721 -12.219 191 HG2 PRO 28 1HG PRO 28 0.429 -11.971 -13.639 192 HG3 PRO 28 2HG PRO 28 0.449 -13.721 -13.536 193 HD2 PRO 28 1HD PRO 28 -1.278 -11.936 -12.100 194 HD3 PRO 28 2HD PRO 28 -1.178 -13.676 -11.912 195 H LEU 29 H LEU 29 -0.167 -10.400 -10.350 196 HA LEU 29 HA LEU 29 1.823 -8.312 -10.592 197 HB2 LEU 29 1HB LEU 29 -1.132 -8.050 -10.049 198 HB3 LEU 29 2HB LEU 29 -0.030 -6.805 -10.604 199 HG LEU 29 HG LEU 29 -0.935 -9.239 -12.164 200 HD11 LEU 29 1HD1 LEU 29 -2.723 -7.811 -12.310 201 HD12 LEU 29 2HD1 LEU 29 -1.717 -6.350 -12.156 202 HD13 LEU 29 3HD1 LEU 29 -1.745 -7.253 -13.689 203 HD21 LEU 29 1HD2 LEU 29 0.293 -7.728 -14.017 204 HD22 LEU 29 2HD2 LEU 29 1.304 -7.341 -12.604 205 HD23 LEU 29 3HD2 LEU 29 1.104 -9.033 -13.119 206 H CYS 30 H CYS 30 -0.527 -9.590 -8.147 207 HA CYS 30 HA CYS 30 -0.014 -7.879 -6.116 208 HB2 CYS 30 1HB CYS 30 -0.862 -9.525 -4.631 209 HB3 CYS 30 2HB CYS 30 -1.686 -9.773 -6.158 210 HG CYS 30 HG CYS 30 0.864 -11.389 -4.816 211 H ASP 31 H ASP 31 2.062 -10.346 -7.561 212 HA ASP 31 HA ASP 31 3.810 -10.546 -5.357 213 HB2 ASP 31 1HB ASP 31 3.527 -11.672 -8.031 214 HB3 ASP 31 2HB ASP 31 5.192 -11.188 -7.778 215 H GLU 32 H GLU 32 4.063 -9.080 -8.693 216 HA GLU 32 HA GLU 32 6.475 -7.857 -8.332 217 HB2 GLU 32 1HB GLU 32 4.615 -8.037 -10.364 218 HB3 GLU 32 2HB GLU 32 4.515 -6.333 -9.967 219 HG2 GLU 32 1HG GLU 32 6.408 -5.989 -11.164 220 HG3 GLU 32 2HG GLU 32 7.292 -6.916 -9.967 221 H ALA 33 H ALA 33 3.149 -6.477 -7.844 222 HA ALA 33 HA ALA 33 3.691 -3.947 -7.171 223 HB1 ALA 33 1HB ALA 33 1.865 -4.843 -5.201 224 HB2 ALA 33 2HB ALA 33 1.485 -4.146 -6.794 225 HB3 ALA 33 3HB ALA 33 1.633 -5.910 -6.607 226 H LYS 34 H LYS 34 3.641 -6.642 -4.721 227 HA LYS 34 HA LYS 34 4.576 -5.256 -2.593 228 HB2 LYS 34 1HB LYS 34 5.023 -8.121 -3.445 229 HB3 LYS 34 2HB LYS 34 5.598 -7.508 -1.908 230 HG2 LYS 34 1HG LYS 34 3.246 -6.741 -1.378 231 HG3 LYS 34 2HG LYS 34 2.701 -7.467 -2.877 232 HD2 LYS 34 1HD LYS 34 4.001 -9.614 -1.849 233 HD3 LYS 34 2HD LYS 34 3.626 -8.800 -0.344 234 HE2 LYS 34 1HE LYS 34 1.292 -8.978 -0.663 235 HE3 LYS 34 2HE LYS 34 1.433 -9.122 -2.403 236 HZ1 LYS 34 1HZ LYS 34 1.183 -11.167 -0.664 237 HZ2 LYS 34 2HZ LYS 34 1.642 -11.300 -2.226 238 HZ3 LYS 34 3HZ LYS 34 2.770 -11.219 -1.048 239 H GLU 35 H GLU 35 6.582 -6.909 -5.126 240 HA GLU 35 HA GLU 35 9.013 -6.266 -4.080 241 HB2 GLU 35 1HB GLU 35 8.413 -6.290 -7.062 242 HB3 GLU 35 2HB GLU 35 9.913 -6.735 -6.271 243 HG2 GLU 35 1HG GLU 35 8.086 -8.424 -5.024 244 HG3 GLU 35 2HG GLU 35 7.433 -8.325 -6.648 245 H VAL 36 H VAL 36 6.657 -4.229 -5.757 246 HA VAL 36 HA VAL 36 8.545 -2.151 -6.333 247 HB VAL 36 HB VAL 36 5.532 -1.991 -6.293 248 HG11 VAL 36 1HG1 VAL 36 5.794 -0.242 -7.908 249 HG12 VAL 36 2HG1 VAL 36 6.898 0.111 -6.557 250 HG13 VAL 36 3HG1 VAL 36 7.536 -0.571 -8.072 251 HG21 VAL 36 1HG2 VAL 36 5.336 -3.326 -8.077 252 HG22 VAL 36 2HG2 VAL 36 6.699 -2.538 -8.907 253 HG23 VAL 36 3HG2 VAL 36 7.003 -3.859 -7.754 254 H LEU 37 H LEU 37 6.765 -3.265 -3.571 255 HA LEU 37 HA LEU 37 6.969 -0.629 -2.316 256 HB2 LEU 37 1HB LEU 37 5.426 -3.118 -1.580 257 HB3 LEU 37 2HB LEU 37 5.546 -1.705 -0.550 258 HG LEU 37 HG LEU 37 4.115 -2.021 -3.174 259 HD11 LEU 37 1HD1 LEU 37 2.768 -2.474 -1.275 260 HD12 LEU 37 2HD1 LEU 37 3.357 -1.029 -0.420 261 HD13 LEU 37 3HD1 LEU 37 2.312 -0.853 -1.850 262 HD21 LEU 37 1HD2 LEU 37 3.743 0.477 -3.130 263 HD22 LEU 37 2HD2 LEU 37 5.094 0.577 -1.975 264 HD23 LEU 37 3HD2 LEU 37 5.370 -0.058 -3.615 265 H GLN 38 H GLN 38 9.194 -2.666 -2.983 266 HA GLN 38 HA GLN 38 9.978 -3.748 -0.520 267 HB2 GLN 38 1HB GLN 38 11.020 -3.579 -3.266 268 HB3 GLN 38 2HB GLN 38 12.301 -3.482 -2.074 269 HG2 GLN 38 1HG GLN 38 10.583 -5.529 -1.123 270 HG3 GLN 38 2HG GLN 38 10.670 -5.789 -2.854 271 HE21 GLN 38 1HE2 GLN 38 13.251 -4.672 -3.271 272 HE22 GLN 38 2HE2 GLN 38 14.438 -5.746 -2.609 273 HA PRO 39 HA PRO 39 12.735 0.114 -0.374 274 HB2 PRO 39 1HB PRO 39 12.306 2.161 -2.133 275 HB3 PRO 39 2HB PRO 39 13.517 0.919 -2.384 276 HG2 PRO 39 1HG PRO 39 10.894 1.244 -3.707 277 HG3 PRO 39 2HG PRO 39 12.273 0.293 -4.222 278 HD2 PRO 39 1HD PRO 39 9.867 -0.691 -3.009 279 HD3 PRO 39 2HD PRO 39 11.293 -1.625 -3.418 280 H TYR 40 H TYR 40 9.510 -0.150 -0.353 281 HA TYR 40 HA TYR 40 9.285 2.304 1.256 282 HB2 TYR 40 1HB TYR 40 7.203 0.782 -0.433 283 HB3 TYR 40 2HB TYR 40 6.900 2.287 0.413 284 HD1 TYR 40 2HD TYR 40 7.771 4.416 -0.446 285 HD2 TYR 40 1HD TYR 40 8.463 0.744 -2.528 286 HE1 TYR 40 2HE TYR 40 8.462 5.714 -2.520 287 HE2 TYR 40 1HE TYR 40 9.152 2.054 -4.595 288 HH TYR 40 HH TYR 40 10.191 4.566 -4.869 289 H LYS 41 H LYS 41 9.644 -0.951 1.492 290 HA LYS 41 HA LYS 41 7.449 -1.769 3.015 291 HB2 LYS 41 1HB LYS 41 8.703 -3.702 3.472 292 HB3 LYS 41 2HB LYS 41 9.222 -3.192 1.878 293 HG2 LYS 41 1HG LYS 41 11.259 -2.191 2.773 294 HG3 LYS 41 2HG LYS 41 10.704 -2.393 4.423 295 HD2 LYS 41 1HD LYS 41 11.130 -4.691 4.444 296 HD3 LYS 41 2HD LYS 41 10.858 -4.871 2.722 297 HE2 LYS 41 1HE LYS 41 13.196 -5.110 2.873 298 HE3 LYS 41 2HE LYS 41 13.034 -3.419 2.445 299 HZ1 LYS 41 1HZ LYS 41 14.125 -2.980 4.289 300 HZ2 LYS 41 2HZ LYS 41 12.867 -3.527 5.174 301 HZ3 LYS 41 3HZ LYS 41 14.092 -4.535 4.786 302 H ASP 42 H ASP 42 10.443 0.011 3.812 303 HA ASP 42 HA ASP 42 9.811 -0.157 6.609 304 HB2 ASP 42 1HB ASP 42 12.159 0.284 5.040 305 HB3 ASP 42 2HB ASP 42 11.898 1.768 5.935 306 H ARG 43 H ARG 43 9.194 1.831 3.822 307 HA ARG 43 HA ARG 43 9.154 4.332 5.009 308 HB2 ARG 43 1HB ARG 43 7.956 3.084 2.539 309 HB3 ARG 43 2HB ARG 43 7.323 4.642 3.031 310 HG2 ARG 43 1HG ARG 43 10.315 4.134 2.755 311 HG3 ARG 43 2HG ARG 43 9.335 4.649 1.396 312 HD2 ARG 43 1HD ARG 43 10.028 6.727 2.203 313 HD3 ARG 43 2HD ARG 43 8.520 6.553 3.079 314 HE ARG 43 HE ARG 43 10.742 5.370 4.538 315 HH11 ARG 43 2HH2 ARG 43 9.154 8.423 3.802 316 HH12 ARG 43 1HH2 ARG 43 9.714 9.207 5.242 317 HH21 ARG 43 2HH1 ARG 43 11.480 6.404 6.437 318 HH22 ARG 43 1HH1 ARG 43 11.046 8.051 6.750 319 H PHE 44 H PHE 44 6.908 1.600 5.044 320 HA PHE 44 HA PHE 44 5.335 2.866 7.047 321 HB2 PHE 44 1HB PHE 44 3.201 2.542 5.587 322 HB3 PHE 44 2HB PHE 44 4.222 3.896 5.142 323 HD1 PHE 44 2HD PHE 44 4.011 0.242 4.361 324 HD2 PHE 44 1HD PHE 44 4.566 4.183 2.891 325 HE1 PHE 44 2HE PHE 44 4.181 -0.655 2.023 326 HE2 PHE 44 1HE PHE 44 4.735 3.287 0.552 327 HZ PHE 44 HZ PHE 44 4.541 0.879 0.146 328 H ILE 45 H ILE 45 3.231 1.320 7.395 329 HA ILE 45 HA ILE 45 4.386 -1.349 7.533 330 HB ILE 45 HB ILE 45 2.119 0.034 8.950 331 HG12 ILE 45 1HG1 ILE 45 4.360 -1.360 10.338 332 HG13 ILE 45 2HG1 ILE 45 4.745 0.131 9.501 333 HG21 ILE 45 1HG2 ILE 45 2.593 -2.539 10.070 334 HG22 ILE 45 2HG2 ILE 45 1.099 -1.892 9.349 335 HG23 ILE 45 3HG2 ILE 45 2.282 -2.745 8.329 336 HD11 ILE 45 1HD1 ILE 45 2.341 -0.023 11.351 337 HD12 ILE 45 2HD1 ILE 45 3.974 0.289 11.985 338 HD13 ILE 45 3HD1 ILE 45 3.242 1.416 10.819 339 H LEU 46 H LEU 46 4.120 -2.351 5.564 340 HA LEU 46 HA LEU 46 1.759 -1.979 4.029 341 HB2 LEU 46 1HB LEU 46 3.943 -2.413 3.039 342 HB3 LEU 46 2HB LEU 46 4.010 -3.983 3.815 343 HG LEU 46 HG LEU 46 2.011 -4.685 2.499 344 HD11 LEU 46 1HD1 LEU 46 0.757 -2.946 1.791 345 HD12 LEU 46 2HD1 LEU 46 2.155 -1.860 1.613 346 HD13 LEU 46 3HD1 LEU 46 1.802 -3.068 0.356 347 HD21 LEU 46 1HD2 LEU 46 4.696 -4.159 1.499 348 HD22 LEU 46 2HD2 LEU 46 3.661 -5.596 1.316 349 HD23 LEU 46 3HD2 LEU 46 3.487 -4.225 0.194 350 H GLN 47 H GLN 47 -0.199 -2.756 4.590 351 HA GLN 47 HA GLN 47 -0.259 -5.104 6.268 352 HB2 GLN 47 1HB GLN 47 -1.695 -2.779 6.362 353 HB3 GLN 47 2HB GLN 47 -2.801 -3.773 5.434 354 HG2 GLN 47 1HG GLN 47 -1.958 -4.028 8.285 355 HG3 GLN 47 2HG GLN 47 -3.496 -4.416 7.539 356 HE21 GLN 47 1HE2 GLN 47 -0.452 -5.554 8.586 357 HE22 GLN 47 2HE2 GLN 47 -0.608 -7.222 8.149 358 H GLU 48 H GLU 48 -0.079 -7.000 5.119 359 HA GLU 48 HA GLU 48 -1.214 -7.136 2.499 360 HB2 GLU 48 1HB GLU 48 0.708 -8.677 4.115 361 HB3 GLU 48 2HB GLU 48 -0.375 -9.715 3.209 362 HG2 GLU 48 1HG GLU 48 0.440 -9.022 1.155 363 HG3 GLU 48 2HG GLU 48 0.730 -7.381 1.697 364 H VAL 49 H VAL 49 -3.445 -7.230 2.467 365 HA VAL 49 HA VAL 49 -4.742 -8.986 4.405 366 HB VAL 49 HB VAL 49 -5.842 -6.921 2.487 367 HG11 VAL 49 1HG1 VAL 49 -7.771 -7.308 4.386 368 HG12 VAL 49 2HG1 VAL 49 -7.756 -8.079 2.781 369 HG13 VAL 49 3HG1 VAL 49 -7.129 -8.958 4.196 370 HG21 VAL 49 1HG2 VAL 49 -5.402 -5.370 4.027 371 HG22 VAL 49 2HG2 VAL 49 -6.231 -6.323 5.281 372 HG23 VAL 49 3HG2 VAL 49 -4.502 -6.594 4.956 373 H ASP 50 H ASP 50 -5.710 -10.899 3.832 374 HA ASP 50 HA ASP 50 -5.234 -11.721 1.115 375 HB2 ASP 50 1HB ASP 50 -5.863 -13.068 3.732 376 HB3 ASP 50 2HB ASP 50 -6.357 -13.906 2.274 377 H ILE 51 H ILE 51 -6.907 -11.012 -0.257 378 HA ILE 51 HA ILE 51 -9.602 -10.865 0.743 379 HB ILE 51 HB ILE 51 -10.089 -10.022 -1.529 380 HG12 ILE 51 1HG1 ILE 51 -7.130 -10.020 -2.089 381 HG13 ILE 51 2HG1 ILE 51 -8.112 -11.406 -2.521 382 HG21 ILE 51 1HG2 ILE 51 -7.750 -8.405 -0.697 383 HG22 ILE 51 2HG2 ILE 51 -9.447 -7.936 -0.957 384 HG23 ILE 51 3HG2 ILE 51 -8.968 -8.734 0.559 385 HD11 ILE 51 1HD1 ILE 51 -8.679 -10.305 -4.418 386 HD12 ILE 51 2HD1 ILE 51 -9.614 -9.179 -3.406 387 HD13 ILE 51 3HD1 ILE 51 -7.927 -8.802 -3.831 388 H THR 52 H THR 52 -7.540 -13.244 -0.659 389 HA THR 52 HA THR 52 -9.529 -14.659 -2.126 390 HB THR 52 HB THR 52 -7.743 -16.263 -2.416 391 HG1 THR 52 1HG THR 52 -6.836 -14.917 0.023 392 HG21 THR 52 1HG2 THR 52 -5.731 -14.222 -1.926 393 HG22 THR 52 2HG2 THR 52 -6.342 -14.814 -3.489 394 HG23 THR 52 3HG2 THR 52 -7.160 -13.464 -2.668 395 H LEU 53 H LEU 53 -9.117 -14.111 1.198 396 HA LEU 53 HA LEU 53 -9.979 -16.721 2.033 397 HB2 LEU 53 1HB LEU 53 -9.403 -14.111 3.404 398 HB3 LEU 53 2HB LEU 53 -10.211 -15.413 4.255 399 HG LEU 53 HG LEU 53 -7.473 -15.582 2.965 400 HD11 LEU 53 1HD1 LEU 53 -7.188 -14.223 4.842 401 HD12 LEU 53 2HD1 LEU 53 -8.371 -15.138 5.807 402 HD13 LEU 53 3HD1 LEU 53 -6.787 -15.855 5.428 403 HD21 LEU 53 1HD2 LEU 53 -7.330 -17.750 4.232 404 HD22 LEU 53 2HD2 LEU 53 -9.082 -17.618 4.520 405 HD23 LEU 53 3HD2 LEU 53 -8.461 -17.745 2.857 406 HA PRO 54 HA PRO 54 -14.229 -15.991 1.925 407 HB2 PRO 54 1HB PRO 54 -15.169 -17.414 4.061 408 HB3 PRO 54 2HB PRO 54 -14.719 -18.156 2.538 409 HG2 PRO 54 1HG PRO 54 -13.255 -18.160 5.107 410 HG3 PRO 54 2HG PRO 54 -13.053 -19.220 3.726 411 HD2 PRO 54 1HD PRO 54 -11.357 -17.030 4.471 412 HD3 PRO 54 2HD PRO 54 -11.222 -18.017 3.029 413 H GLU 55 H GLU 55 -12.801 -15.399 5.063 414 HA GLU 55 HA GLU 55 -14.939 -13.899 6.011 415 HB2 GLU 55 1HB GLU 55 -13.332 -13.098 7.717 416 HB3 GLU 55 2HB GLU 55 -13.199 -14.829 7.482 417 HG2 GLU 55 1HG GLU 55 -11.279 -14.380 5.855 418 HG3 GLU 55 2HG GLU 55 -11.358 -12.690 6.316 419 H ASN 56 H ASN 56 -12.041 -13.075 4.063 420 HA ASN 56 HA ASN 56 -12.790 -10.293 4.148 421 HB2 ASN 56 1HB ASN 56 -10.471 -11.694 2.714 422 HB3 ASN 56 2HB ASN 56 -10.667 -9.958 2.851 423 HD21 ASN 56 1HD2 ASN 56 -8.791 -12.204 3.909 424 HD22 ASN 56 2HD2 ASN 56 -8.530 -11.786 5.569 425 H SER 57 H SER 57 -13.980 -12.899 2.603 426 HA SER 57 HA SER 57 -13.695 -12.719 -0.036 427 HB2 SER 57 1HB SER 57 -15.139 -14.371 1.072 428 HB3 SER 57 2HB SER 57 -16.288 -13.124 1.516 429 HG SER 57 HG SER 57 -16.251 -12.753 -1.008 430 H THR 58 H THR 58 -15.257 -10.377 2.107 431 HA THR 58 HA THR 58 -16.781 -9.026 0.151 432 HB THR 58 HB THR 58 -15.688 -8.401 2.926 433 HG1 THR 58 1HG THR 58 -17.840 -8.946 3.358 434 HG21 THR 58 1HG2 THR 58 -15.876 -6.219 1.684 435 HG22 THR 58 2HG2 THR 58 -17.532 -6.660 1.205 436 HG23 THR 58 3HG2 THR 58 -17.145 -6.387 2.921 437 H TRP 59 H TRP 59 -13.593 -8.149 1.654 438 HA TRP 59 HA TRP 59 -13.027 -5.952 0.202 439 HB2 TRP 59 1HB TRP 59 -11.316 -8.159 1.284 440 HB3 TRP 59 2HB TRP 59 -10.584 -6.898 0.313 441 HD1 TRP 59 HD TRP 59 -11.362 -7.600 3.833 442 HE1 TRP 59 1HE TRP 59 -11.263 -5.477 5.397 443 HE3 TRP 59 3HE TRP 59 -11.380 -4.177 0.072 444 HZ2 TRP 59 2HZ TRP 59 -11.205 -2.668 4.898 445 HZ3 TRP 59 3HZ TRP 59 -11.301 -1.765 0.697 446 HH2 TRP 59 HH TRP 59 -11.215 -0.992 3.013 447 H TYR 60 H TYR 60 -12.800 -9.405 -0.802 448 HA TYR 60 HA TYR 60 -11.605 -8.856 -3.307 449 HB2 TYR 60 1HB TYR 60 -11.788 -11.038 -1.859 450 HB3 TYR 60 2HB TYR 60 -13.445 -11.157 -2.416 451 HD1 TYR 60 1HD TYR 60 -13.939 -11.644 -4.800 452 HD2 TYR 60 2HD TYR 60 -9.930 -11.596 -3.307 453 HE1 TYR 60 1HE TYR 60 -13.146 -12.891 -6.869 454 HE2 TYR 60 2HE TYR 60 -9.151 -12.844 -5.381 455 HH TYR 60 HH TYR 60 -10.731 -12.975 -8.103 456 H GLU 61 H GLU 61 -14.998 -9.804 -2.388 457 HA GLU 61 HA GLU 61 -16.131 -9.737 -4.799 458 HB2 GLU 61 1HB GLU 61 -17.191 -8.795 -2.113 459 HB3 GLU 61 2HB GLU 61 -18.218 -8.827 -3.532 460 HG2 GLU 61 1HG GLU 61 -16.860 -11.345 -3.473 461 HG3 GLU 61 2HG GLU 61 -17.392 -11.038 -1.832 462 H ARG 62 H ARG 62 -15.156 -6.922 -2.808 463 HA ARG 62 HA ARG 62 -16.381 -5.120 -4.654 464 HB2 ARG 62 1HB ARG 62 -15.439 -3.355 -3.155 465 HB3 ARG 62 2HB ARG 62 -16.327 -4.560 -2.244 466 HG2 ARG 62 1HG ARG 62 -14.223 -5.701 -1.622 467 HG3 ARG 62 2HG ARG 62 -13.296 -4.603 -2.625 468 HD2 ARG 62 1HD ARG 62 -15.005 -3.718 -0.249 469 HD3 ARG 62 2HD ARG 62 -13.277 -3.997 -0.165 470 HE ARG 62 HE ARG 62 -13.667 -2.217 -2.320 471 HH11 ARG 62 2HH2 ARG 62 -14.232 -2.232 1.153 472 HH12 ARG 62 1HH2 ARG 62 -14.054 -0.517 1.318 473 HH21 ARG 62 2HH1 ARG 62 -13.432 0.046 -2.103 474 HH22 ARG 62 1HH1 ARG 62 -13.596 0.787 -0.546 475 H TYR 63 H TYR 63 -13.148 -6.421 -3.833 476 HA TYR 63 HA TYR 63 -12.084 -4.998 -6.177 477 HB2 TYR 63 1HB TYR 63 -10.931 -5.622 -3.392 478 HB3 TYR 63 2HB TYR 63 -9.905 -5.114 -4.718 479 HD1 TYR 63 1HD TYR 63 -11.458 -2.977 -6.000 480 HD2 TYR 63 2HD TYR 63 -10.959 -3.877 -1.847 481 HE1 TYR 63 1HE TYR 63 -11.909 -0.545 -5.412 482 HE2 TYR 63 2HE TYR 63 -11.411 -1.442 -1.273 483 HH TYR 63 HH TYR 63 -11.059 0.861 -2.797 484 H LYS 64 H LYS 64 -12.922 -7.157 -7.133 485 HA LYS 64 HA LYS 64 -10.982 -9.288 -6.597 486 HB2 LYS 64 1HB LYS 64 -12.612 -10.806 -7.557 487 HB3 LYS 64 2HB LYS 64 -13.338 -9.884 -6.256 488 HG2 LYS 64 1HG LYS 64 -14.184 -8.246 -8.071 489 HG3 LYS 64 2HG LYS 64 -13.686 -9.440 -9.252 490 HD2 LYS 64 1HD LYS 64 -15.506 -10.745 -8.845 491 HD3 LYS 64 2HD LYS 64 -15.248 -10.694 -7.112 492 HE2 LYS 64 1HE LYS 64 -16.136 -8.105 -7.644 493 HE3 LYS 64 2HE LYS 64 -17.056 -9.052 -8.797 494 HZ1 LYS 64 1HZ LYS 64 -17.110 -10.446 -6.436 495 HZ2 LYS 64 2HZ LYS 64 -17.382 -8.890 -6.024 496 HZ3 LYS 64 3HZ LYS 64 -18.342 -9.623 -7.123 497 H PHE 65 H PHE 65 -11.839 -6.756 -8.774 498 HA PHE 65 HA PHE 65 -10.000 -7.911 -10.733 499 HB2 PHE 65 1HB PHE 65 -11.645 -6.659 -12.402 500 HB3 PHE 65 2HB PHE 65 -12.130 -8.227 -11.787 501 HD1 PHE 65 2HD PHE 65 -12.420 -4.613 -10.885 502 HD2 PHE 65 1HD PHE 65 -14.257 -8.438 -10.920 503 HE1 PHE 65 2HE PHE 65 -14.536 -3.605 -9.987 504 HE2 PHE 65 1HE PHE 65 -16.373 -7.430 -10.022 505 HZ PHE 65 HZ PHE 65 -16.488 -5.026 -9.567 506 H ASP 66 H ASP 66 -10.091 -5.733 -8.461 507 HA ASP 66 HA ASP 66 -9.017 -3.645 -10.187 508 HB2 ASP 66 1HB ASP 66 -10.138 -2.922 -7.493 509 HB3 ASP 66 2HB ASP 66 -10.069 -1.959 -8.956 510 H ILE 67 H ILE 67 -7.692 -5.957 -8.863 511 HA ILE 67 HA ILE 67 -6.179 -4.561 -6.768 512 HB ILE 67 HB ILE 67 -5.517 -7.180 -6.495 513 HG12 ILE 67 1HG1 ILE 67 -8.412 -7.106 -7.392 514 HG13 ILE 67 2HG1 ILE 67 -7.092 -7.952 -8.176 515 HG21 ILE 67 1HG2 ILE 67 -7.967 -6.195 -5.088 516 HG22 ILE 67 2HG2 ILE 67 -6.529 -7.025 -4.445 517 HG23 ILE 67 3HG2 ILE 67 -6.439 -5.304 -4.891 518 HD11 ILE 67 1HD1 ILE 67 -8.681 -8.735 -5.817 519 HD12 ILE 67 2HD1 ILE 67 -7.705 -9.743 -6.913 520 HD13 ILE 67 3HD1 ILE 67 -6.927 -8.893 -5.556 521 HA PRO 68 HA PRO 68 -4.471 -5.710 -5.768 522 HB2 PRO 68 1HB PRO 68 -2.033 -4.698 -5.062 523 HB3 PRO 68 2HB PRO 68 -2.315 -6.403 -5.353 524 HG2 PRO 68 1HG PRO 68 -0.947 -4.429 -7.078 525 HG3 PRO 68 2HG PRO 68 -0.872 -6.179 -7.139 526 HD2 PRO 68 1HD PRO 68 -2.355 -4.463 -8.895 527 HD3 PRO 68 2HD PRO 68 -2.370 -6.216 -8.882 528 H VAL 69 H VAL 69 -5.004 -4.310 -4.059 529 HA VAL 69 HA VAL 69 -5.239 -1.562 -5.063 530 HB VAL 69 HB VAL 69 -6.854 -3.154 -3.066 531 HG11 VAL 69 1HG1 VAL 69 -6.992 -0.203 -3.758 532 HG12 VAL 69 2HG1 VAL 69 -8.295 -1.093 -2.934 533 HG13 VAL 69 3HG1 VAL 69 -6.698 -0.938 -2.164 534 HG21 VAL 69 1HG2 VAL 69 -7.325 -3.610 -5.446 535 HG22 VAL 69 2HG2 VAL 69 -8.694 -2.812 -4.636 536 HG23 VAL 69 3HG2 VAL 69 -7.628 -1.876 -5.711 537 H PHE 70 H PHE 70 -4.786 0.202 -3.579 538 HA PHE 70 HA PHE 70 -3.236 -0.601 -1.235 539 HB2 PHE 70 1HB PHE 70 -2.517 1.402 -3.459 540 HB3 PHE 70 2HB PHE 70 -1.609 1.260 -1.967 541 HD1 PHE 70 2HD PHE 70 -2.413 -0.369 -5.151 542 HD2 PHE 70 1HD PHE 70 -0.116 -0.602 -1.591 543 HE1 PHE 70 2HE PHE 70 -0.987 -2.156 -6.188 544 HE2 PHE 70 1HE PHE 70 1.310 -2.389 -2.628 545 HZ PHE 70 HZ PHE 70 0.857 -3.144 -4.914 546 H HIS 71 H HIS 71 -4.063 0.399 0.534 547 HA HIS 71 HA HIS 71 -5.378 2.976 0.074 548 HB2 HIS 71 1HB HIS 71 -5.947 0.888 2.197 549 HB3 HIS 71 2HB HIS 71 -6.739 2.446 2.071 550 HD1 HIS 71 1HD HIS 71 -8.733 0.357 1.956 551 HD2 HIS 71 2HD HIS 71 -6.546 1.356 -1.481 552 HE1 HIS 71 1HE HIS 71 -10.101 -0.477 -0.029 553 H LEU 72 H LEU 72 -4.273 4.699 0.841 554 HA LEU 72 HA LEU 72 -2.272 4.179 2.908 555 HB2 LEU 72 1HB LEU 72 -2.239 5.625 0.503 556 HB3 LEU 72 2HB LEU 72 -2.238 6.835 1.771 557 HG LEU 72 HG LEU 72 -0.217 4.645 1.282 558 HD11 LEU 72 1HD1 LEU 72 0.186 7.628 1.585 559 HD12 LEU 72 2HD1 LEU 72 1.353 6.414 1.007 560 HD13 LEU 72 3HD1 LEU 72 -0.076 6.815 0.023 561 HD21 LEU 72 1HD2 LEU 72 -0.297 4.467 3.572 562 HD22 LEU 72 2HD2 LEU 72 0.904 5.766 3.373 563 HD23 LEU 72 3HD2 LEU 72 -0.777 6.165 3.802 564 H ASN 73 H ASN 73 -2.913 4.506 4.964 565 HA ASN 73 HA ASN 73 -3.787 5.443 6.715 566 HB2 ASN 73 1HB ASN 73 -3.677 7.731 4.818 567 HB3 ASN 73 2HB ASN 73 -4.913 7.922 6.046 568 HD21 ASN 73 1HD2 ASN 73 -1.632 8.123 5.293 569 HD22 ASN 73 2HD2 ASN 73 -0.978 8.415 6.871 570 H GLY 74 H GLY 74 -5.400 3.630 5.409 571 HA2 GLY 74 1HA GLY 74 -7.516 2.930 5.129 572 HA3 GLY 74 2HA GLY 74 -7.976 4.172 6.276 573 H GLN 75 H GLN 75 -6.462 4.585 3.015 574 HA GLN 75 HA GLN 75 -8.968 5.451 1.942 575 HB2 GLN 75 1HB GLN 75 -7.987 7.470 3.163 576 HB3 GLN 75 2HB GLN 75 -6.655 7.432 2.025 577 HG2 GLN 75 1HG GLN 75 -8.191 7.762 0.130 578 HG3 GLN 75 2HG GLN 75 -9.585 7.625 1.184 579 HE21 GLN 75 1HE2 GLN 75 -8.266 9.779 -0.568 580 HE22 GLN 75 2HE2 GLN 75 -8.276 11.208 0.411 581 H PHE 76 H PHE 76 -9.055 4.691 -0.129 582 HA PHE 76 HA PHE 76 -7.106 3.252 -1.315 583 HB2 PHE 76 1HB PHE 76 -9.165 3.137 -2.437 584 HB3 PHE 76 2HB PHE 76 -9.543 4.813 -2.092 585 HD1 PHE 76 1HD PHE 76 -7.220 2.799 -4.213 586 HD2 PHE 76 2HD PHE 76 -9.579 6.309 -3.850 587 HE1 PHE 76 1HE PHE 76 -6.677 3.410 -6.587 588 HE2 PHE 76 2HE PHE 76 -9.036 6.919 -6.223 589 HZ PHE 76 HZ PHE 76 -7.591 5.463 -7.563 590 H LEU 77 H LEU 77 -5.039 3.757 -1.858 591 HA LEU 77 HA LEU 77 -4.460 6.514 -2.589 592 HB2 LEU 77 1HB LEU 77 -2.675 6.153 -1.360 593 HB3 LEU 77 2HB LEU 77 -3.124 4.475 -1.133 594 HG LEU 77 HG LEU 77 -2.003 4.067 -3.433 595 HD11 LEU 77 1HD1 LEU 77 -0.115 5.674 -3.867 596 HD12 LEU 77 2HD1 LEU 77 -1.744 6.291 -4.232 597 HD13 LEU 77 3HD1 LEU 77 -0.912 6.803 -2.745 598 HD21 LEU 77 1HD2 LEU 77 -0.685 3.024 -1.974 599 HD22 LEU 77 2HD2 LEU 77 0.329 4.487 -1.986 600 HD23 LEU 77 3HD2 LEU 77 -0.923 4.281 -0.737 601 H MET 78 H MET 78 -4.300 3.146 -3.856 602 HA MET 78 HA MET 78 -4.780 3.981 -6.446 603 HB2 MET 78 1HB MET 78 -2.600 3.743 -7.504 604 HB3 MET 78 2HB MET 78 -2.363 4.818 -6.140 605 HG2 MET 78 1HG MET 78 -1.761 2.650 -4.790 606 HG3 MET 78 2HG MET 78 -1.616 1.876 -6.355 607 HE1 MET 78 1HE MET 78 2.028 2.652 -5.011 608 HE2 MET 78 2HE MET 78 0.758 3.019 -3.819 609 HE3 MET 78 3HE MET 78 0.632 1.562 -4.833 610 H MET 79 H MET 79 -4.985 2.159 -7.925 611 HA MET 79 HA MET 79 -4.345 -0.417 -6.781 612 HB2 MET 79 1HB MET 79 -6.714 -1.203 -7.370 613 HB3 MET 79 2HB MET 79 -6.646 -0.079 -6.026 614 HG2 MET 79 1HG MET 79 -7.258 1.803 -7.518 615 HG3 MET 79 2HG MET 79 -7.217 0.745 -8.914 616 HE1 MET 79 1HE MET 79 -10.814 1.803 -6.771 617 HE2 MET 79 2HE MET 79 -9.182 2.483 -6.563 618 HE3 MET 79 3HE MET 79 -9.938 2.461 -8.174 619 H HIS 80 H HIS 80 -4.502 -2.205 -8.414 620 HA HIS 80 HA HIS 80 -4.519 -3.030 -10.491 621 HB2 HIS 80 1HB HIS 80 -4.580 -0.298 -11.753 622 HB3 HIS 80 2HB HIS 80 -5.124 -1.828 -12.411 623 HD1 HIS 80 1HD HIS 80 -7.007 0.624 -12.388 624 HD2 HIS 80 2HD HIS 80 -6.907 -2.288 -9.370 625 HE1 HIS 80 1HE HIS 80 -9.278 0.719 -11.226 626 H ARG 81 H ARG 81 -2.345 -1.411 -8.778 627 HA ARG 81 HA ARG 81 -0.165 -2.458 -9.833 628 HB2 ARG 81 1HB ARG 81 -1.052 -0.300 -11.575 629 HB3 ARG 81 2HB ARG 81 0.492 0.138 -10.872 630 HG2 ARG 81 1HG ARG 81 0.452 -2.679 -11.731 631 HG3 ARG 81 2HG ARG 81 0.078 -1.595 -13.056 632 HD2 ARG 81 1HD ARG 81 2.206 -0.277 -11.847 633 HD3 ARG 81 2HD ARG 81 2.633 -1.954 -11.574 634 HE ARG 81 HE ARG 81 2.664 -0.571 -14.117 635 HH11 ARG 81 2HH2 ARG 81 2.064 -3.722 -12.669 636 HH12 ARG 81 1HH2 ARG 81 2.466 -4.601 -14.106 637 HH21 ARG 81 2HH1 ARG 81 3.196 -1.731 -16.013 638 HH22 ARG 81 1HH1 ARG 81 3.115 -3.461 -16.021 639 H VAL 82 H VAL 82 1.826 -0.402 -9.576 640 HA VAL 82 HA VAL 82 1.168 0.828 -6.999 641 HB VAL 82 HB VAL 82 3.572 -0.867 -7.686 642 HG11 VAL 82 1HG1 VAL 82 3.328 1.380 -5.828 643 HG12 VAL 82 2HG1 VAL 82 3.823 -0.128 -5.021 644 HG13 VAL 82 3HG1 VAL 82 4.775 0.505 -6.385 645 HG21 VAL 82 1HG2 VAL 82 2.268 -1.402 -5.150 646 HG22 VAL 82 2HG2 VAL 82 1.106 -1.498 -6.495 647 HG23 VAL 82 3HG2 VAL 82 2.581 -2.494 -6.521 648 H ASN 83 H ASN 83 0.824 2.756 -8.334 649 HA ASN 83 HA ASN 83 2.898 3.700 -9.963 650 HB2 ASN 83 1HB ASN 83 0.553 5.167 -8.642 651 HB3 ASN 83 2HB ASN 83 1.568 5.864 -9.889 652 HD21 ASN 83 1HD2 ASN 83 -1.303 4.489 -9.361 653 HD22 ASN 83 2HD2 ASN 83 -1.638 3.741 -10.887 654 H THR 84 H THR 84 4.723 3.437 -8.336 655 HA THR 84 HA THR 84 4.982 4.479 -5.886 656 HB THR 84 HB THR 84 7.395 4.710 -6.463 657 HG1 THR 84 1HG THR 84 6.184 4.532 -9.132 658 HG21 THR 84 1HG2 THR 84 7.574 2.447 -6.709 659 HG22 THR 84 2HG2 THR 84 5.824 2.377 -7.030 660 HG23 THR 84 3HG2 THR 84 6.969 2.563 -8.379 661 H SER 85 H SER 85 5.276 6.405 -8.934 662 HA SER 85 HA SER 85 6.022 8.754 -7.974 663 HB2 SER 85 1HB SER 85 4.181 7.897 -10.154 664 HB3 SER 85 2HB SER 85 4.025 9.578 -9.683 665 HG SER 85 HG SER 85 6.325 9.845 -10.039 666 H LYS 86 H LYS 86 2.679 7.379 -7.807 667 HA LYS 86 HA LYS 86 1.582 9.662 -6.543 668 HB2 LYS 86 1HB LYS 86 0.562 7.495 -7.833 669 HB3 LYS 86 2HB LYS 86 0.273 7.029 -6.170 670 HG2 LYS 86 1HG LYS 86 -0.436 9.832 -7.083 671 HG3 LYS 86 2HG LYS 86 -1.514 8.502 -7.455 672 HD2 LYS 86 1HD LYS 86 -0.966 8.056 -4.763 673 HD3 LYS 86 2HD LYS 86 -0.956 9.806 -4.846 674 HE2 LYS 86 1HE LYS 86 -3.200 8.652 -6.372 675 HE3 LYS 86 2HE LYS 86 -3.234 8.157 -4.692 676 HZ1 LYS 86 1HZ LYS 86 -2.709 10.701 -4.393 677 HZ2 LYS 86 2HZ LYS 86 -3.507 10.798 -5.814 678 HZ3 LYS 86 3HZ LYS 86 -4.238 10.139 -4.511 679 H LEU 87 H LEU 87 2.314 6.331 -5.273 680 HA LEU 87 HA LEU 87 1.838 6.722 -2.666 681 HB2 LEU 87 1HB LEU 87 2.453 4.594 -3.341 682 HB3 LEU 87 2HB LEU 87 3.924 5.142 -4.120 683 HG LEU 87 HG LEU 87 4.904 5.616 -1.879 684 HD11 LEU 87 1HD1 LEU 87 2.604 4.082 -0.676 685 HD12 LEU 87 2HD1 LEU 87 3.869 5.035 0.137 686 HD13 LEU 87 3HD1 LEU 87 2.593 5.858 -0.792 687 HD21 LEU 87 1HD2 LEU 87 5.405 3.323 -1.332 688 HD22 LEU 87 2HD2 LEU 87 3.959 2.756 -2.202 689 HD23 LEU 87 3HD2 LEU 87 5.306 3.495 -3.101 690 H GLU 88 H GLU 88 5.173 7.182 -4.043 691 HA GLU 88 HA GLU 88 6.321 8.311 -1.928 692 HB2 GLU 88 1HB GLU 88 6.717 9.381 -4.753 693 HB3 GLU 88 2HB GLU 88 7.897 9.358 -3.458 694 HG2 GLU 88 1HG GLU 88 7.115 6.672 -3.641 695 HG3 GLU 88 2HG GLU 88 7.107 7.197 -5.313 696 H LYS 89 H LYS 89 4.402 10.090 -4.445 697 HA LYS 89 HA LYS 89 4.698 12.624 -3.438 698 HB2 LYS 89 1HB LYS 89 3.568 11.747 -5.601 699 HB3 LYS 89 2HB LYS 89 2.110 11.641 -4.636 700 HG2 LYS 89 1HG LYS 89 3.713 14.201 -4.535 701 HG3 LYS 89 2HG LYS 89 2.739 13.885 -5.958 702 HD2 LYS 89 1HD LYS 89 0.723 14.039 -4.798 703 HD3 LYS 89 2HD LYS 89 1.412 13.451 -3.297 704 HE2 LYS 89 1HE LYS 89 2.103 16.185 -4.465 705 HE3 LYS 89 2HE LYS 89 0.779 15.943 -3.343 706 HZ1 LYS 89 1HZ LYS 89 2.702 16.536 -2.136 707 HZ2 LYS 89 2HZ LYS 89 2.416 14.961 -1.813 708 HZ3 LYS 89 3HZ LYS 89 3.615 15.380 -2.839 709 H GLN 90 H GLN 90 2.343 10.050 -2.502 710 HA GLN 90 HA GLN 90 0.963 11.665 -0.705 711 HB2 GLN 90 1HB GLN 90 1.292 8.641 -0.880 712 HB3 GLN 90 2HB GLN 90 0.192 9.418 0.241 713 HG2 GLN 90 1HG GLN 90 0.128 9.721 -2.799 714 HG3 GLN 90 2HG GLN 90 -0.969 8.734 -1.854 715 HE21 GLN 90 1HE2 GLN 90 -0.226 11.833 -3.046 716 HE22 GLN 90 2HE2 GLN 90 -1.514 12.736 -2.322 717 H LEU 91 H LEU 91 3.458 9.076 -0.113 718 HA LEU 91 HA LEU 91 3.731 9.219 2.539 719 HB2 LEU 91 1HB LEU 91 5.768 8.914 0.355 720 HB3 LEU 91 2HB LEU 91 6.253 8.884 2.039 721 HG LEU 91 HG LEU 91 4.067 7.062 1.052 722 HD11 LEU 91 1HD1 LEU 91 5.785 5.319 0.659 723 HD12 LEU 91 2HD1 LEU 91 5.876 6.672 -0.494 724 HD13 LEU 91 3HD1 LEU 91 7.047 6.560 0.842 725 HD21 LEU 91 1HD2 LEU 91 4.065 6.462 3.188 726 HD22 LEU 91 2HD2 LEU 91 5.708 5.817 2.962 727 HD23 LEU 91 3HD2 LEU 91 5.478 7.487 3.533 728 H ARG 92 H ARG 92 5.473 11.420 0.229 729 HA ARG 92 HA ARG 92 6.809 12.934 1.918 730 HB2 ARG 92 1HB ARG 92 5.195 13.707 -0.541 731 HB3 ARG 92 2HB ARG 92 6.117 14.925 0.318 732 HG2 ARG 92 1HG ARG 92 8.161 13.384 0.100 733 HG3 ARG 92 2HG ARG 92 7.200 12.376 -0.963 734 HD2 ARG 92 1HD ARG 92 7.113 15.255 -1.684 735 HD3 ARG 92 2HD ARG 92 8.723 14.568 -1.767 736 HE ARG 92 HE ARG 92 6.519 13.997 -3.559 737 HH11 ARG 92 2HH2 ARG 92 9.357 12.542 -2.072 738 HH12 ARG 92 1HH2 ARG 92 9.576 11.374 -3.332 739 HH21 ARG 92 2HH1 ARG 92 6.808 12.456 -5.222 740 HH22 ARG 92 1HH1 ARG 92 8.117 11.325 -5.136 741 H LYS 93 H LYS 93 3.351 13.586 0.963 742 HA LYS 93 HA LYS 93 3.094 15.110 3.462 743 HB2 LYS 93 1HB LYS 93 1.882 15.512 0.730 744 HB3 LYS 93 2HB LYS 93 1.112 16.165 2.162 745 HG2 LYS 93 1HG LYS 93 3.563 17.079 2.697 746 HG3 LYS 93 2HG LYS 93 3.808 16.858 0.976 747 HD2 LYS 93 1HD LYS 93 2.584 18.708 0.477 748 HD3 LYS 93 2HD LYS 93 1.239 18.165 1.461 749 HE2 LYS 93 1HE LYS 93 2.895 18.898 3.469 750 HE3 LYS 93 2HE LYS 93 3.559 19.933 2.220 751 HZ1 LYS 93 1HZ LYS 93 1.760 21.202 2.267 752 HZ2 LYS 93 2HZ LYS 93 0.713 19.949 2.294 753 HZ3 LYS 93 3HZ LYS 93 1.386 20.480 3.684 754 H LEU 94 H LEU 94 2.449 13.497 4.877 755 HA LEU 94 HA LEU 94 -0.243 12.614 4.566 756 HB2 LEU 94 1HB LEU 94 1.193 11.023 3.158 757 HB3 LEU 94 2HB LEU 94 1.823 10.429 4.681 758 HG LEU 94 HG LEU 94 -0.483 9.831 5.384 759 HD11 LEU 94 1HD1 LEU 94 -2.262 9.756 3.639 760 HD12 LEU 94 2HD1 LEU 94 -1.794 11.401 4.131 761 HD13 LEU 94 3HD1 LEU 94 -1.211 10.735 2.587 762 HD21 LEU 94 1HD2 LEU 94 0.982 8.622 3.125 763 HD22 LEU 94 2HD2 LEU 94 0.422 7.907 4.656 764 HD23 LEU 94 3HD2 LEU 94 -0.713 8.106 3.299 765 H SER 95 H SER 95 2.779 11.499 6.259 766 HA SER 95 HA SER 95 1.488 12.372 8.718 767 HB2 SER 95 1HB SER 95 1.657 9.736 8.094 768 HB3 SER 95 2HB SER 95 3.239 9.938 8.820 769 HG SER 95 HG SER 95 1.867 11.102 10.605 770 H GLY 96 H GLY 96 2.888 14.308 8.328 771 HA2 GLY 96 1HA GLY 96 4.679 15.511 9.005 772 HA3 GLY 96 2HA GLY 96 5.379 14.067 9.708 773 HA PRO 97 HA PRO 97 7.471 15.156 5.707 774 HB2 PRO 97 1HB PRO 97 9.667 16.528 6.581 775 HB3 PRO 97 2HB PRO 97 8.224 17.316 5.974 776 HG2 PRO 97 1HG PRO 97 9.154 17.049 8.767 777 HG3 PRO 97 2HG PRO 97 7.978 18.166 8.103 778 HD2 PRO 97 1HD PRO 97 7.427 15.801 9.630 779 HD3 PRO 97 2HD PRO 97 6.251 16.854 8.869 780 H SER 98 H SER 98 9.640 14.435 4.862 781 HA SER 98 HA SER 98 10.041 11.887 5.795 782 HB2 SER 98 1HB SER 98 10.812 13.238 3.590 783 HB3 SER 98 2HB SER 98 12.323 13.333 4.473 784 HG SER 98 HG SER 98 12.650 11.198 4.253 785 H SER 99 H SER 99 11.787 10.914 7.038 786 HA SER 99 HA SER 99 12.405 12.231 9.336 787 HB2 SER 99 1HB SER 99 12.833 9.680 8.255 788 HB3 SER 99 2HB SER 99 14.457 10.263 8.558 789 HG SER 99 HG SER 99 12.386 10.466 10.557 790 H GLY 100 H GLY 100 13.899 13.787 9.899 791 HA2 GLY 100 1HA GLY 100 16.481 13.967 8.772 792 HA3 GLY 100 2HA GLY 100 15.425 15.126 7.988 Start of MODEL 4 1 H1 GLY 1 H GLY 1 46.446 9.217 15.097 2 HA2 GLY 1 1HA GLY 1 44.899 10.418 16.500 3 HA3 GLY 1 2HA GLY 1 44.872 11.102 14.886 4 H SER 2 H SER 2 42.649 11.763 15.998 5 HA SER 2 HA SER 2 40.720 9.650 15.880 6 HB2 SER 2 1HB SER 2 40.725 11.536 17.604 7 HB3 SER 2 2HB SER 2 40.249 12.629 16.320 8 HG SER 2 HG SER 2 38.293 12.025 17.087 9 H SER 3 H SER 3 38.563 10.163 14.642 10 HA SER 3 HA SER 3 38.567 11.928 12.528 11 HB2 SER 3 1HB SER 3 38.882 10.394 10.598 12 HB3 SER 3 2HB SER 3 40.347 10.557 11.545 13 HG SER 3 HG SER 3 38.504 8.342 11.466 14 H GLY 4 H GLY 4 36.443 12.093 13.558 15 HA2 GLY 4 1HA GLY 4 34.274 11.270 12.410 16 HA3 GLY 4 2HA GLY 4 34.681 9.766 13.212 17 H SER 5 H SER 5 32.438 11.872 13.574 18 HA SER 5 HA SER 5 32.322 11.613 16.361 19 HB2 SER 5 1HB SER 5 33.897 13.715 15.773 20 HB3 SER 5 2HB SER 5 32.353 14.522 15.587 21 HG SER 5 HG SER 5 32.030 13.234 17.842 22 H SER 6 H SER 6 30.171 12.124 17.146 23 HA SER 6 HA SER 6 28.363 12.977 15.024 24 HB2 SER 6 1HB SER 6 28.241 10.498 15.452 25 HB3 SER 6 2HB SER 6 27.802 10.828 17.116 26 HG SER 6 HG SER 6 25.843 10.584 16.118 27 H GLY 7 H GLY 7 26.588 14.314 15.702 28 HA2 GLY 7 1HA GLY 7 26.098 14.825 18.481 29 HA3 GLY 7 2HA GLY 7 27.008 16.112 17.716 30 H ASN 8 H ASN 8 23.994 14.145 17.452 31 HA ASN 8 HA ASN 8 22.725 16.521 16.390 32 HB2 ASN 8 1HB ASN 8 23.325 14.244 14.795 33 HB3 ASN 8 2HB ASN 8 21.624 14.073 15.178 34 HD21 ASN 8 1HD2 ASN 8 24.019 15.789 13.431 35 HD22 ASN 8 2HD2 ASN 8 22.999 16.898 12.576 36 H LEU 9 H LEU 9 20.764 16.854 17.485 37 HA LEU 9 HA LEU 9 19.933 14.775 19.326 38 HB2 LEU 9 1HB LEU 9 20.159 17.484 19.537 39 HB3 LEU 9 2HB LEU 9 18.447 17.314 19.203 40 HG LEU 9 HG LEU 9 18.767 15.418 21.140 41 HD11 LEU 9 1HD1 LEU 9 20.152 16.313 22.921 42 HD12 LEU 9 2HD1 LEU 9 21.133 16.017 21.466 43 HD13 LEU 9 3HD1 LEU 9 20.646 17.676 21.888 44 HD21 LEU 9 1HD2 LEU 9 17.790 18.201 21.020 45 HD22 LEU 9 2HD2 LEU 9 16.989 16.718 21.591 46 HD23 LEU 9 3HD2 LEU 9 18.126 17.581 22.654 47 H SER 10 H SER 10 18.307 16.953 16.906 48 HA SER 10 HA SER 10 16.638 16.621 15.561 49 HB2 SER 10 1HB SER 10 18.142 14.359 15.224 50 HB3 SER 10 2HB SER 10 16.622 13.637 15.713 51 HG SER 10 HG SER 10 17.307 14.846 13.313 52 H ALA 11 H ALA 11 14.350 16.498 15.724 53 HA ALA 11 HA ALA 11 13.273 16.295 18.263 54 HB1 ALA 11 1HB ALA 11 12.323 17.509 16.280 55 HB2 ALA 11 2HB ALA 11 11.849 15.935 15.596 56 HB3 ALA 11 3HB ALA 11 11.133 16.492 17.128 57 H SER 12 H SER 12 11.211 14.719 18.598 58 HA SER 12 HA SER 12 12.086 12.046 17.852 59 HB2 SER 12 1HB SER 12 12.709 12.746 20.264 60 HB3 SER 12 2HB SER 12 10.991 12.722 20.609 61 HG SER 12 HG SER 12 11.523 10.409 19.343 62 H ASN 13 H ASN 13 10.449 11.255 16.577 63 HA ASN 13 HA ASN 13 7.905 10.919 17.608 64 HB2 ASN 13 1HB ASN 13 6.791 12.390 15.683 65 HB3 ASN 13 2HB ASN 13 7.228 13.137 17.206 66 HD21 ASN 13 1HD2 ASN 13 9.053 14.434 17.366 67 HD22 ASN 13 2HD2 ASN 13 9.840 15.130 15.988 68 H ARG 14 H ARG 14 8.117 8.794 16.745 69 HA ARG 14 HA ARG 14 8.580 8.667 13.877 70 HB2 ARG 14 1HB ARG 14 9.287 6.881 16.186 71 HB3 ARG 14 2HB ARG 14 8.847 6.066 14.698 72 HG2 ARG 14 1HG ARG 14 10.683 8.337 14.240 73 HG3 ARG 14 2HG ARG 14 11.368 7.128 15.308 74 HD2 ARG 14 1HD ARG 14 11.852 5.866 13.483 75 HD3 ARG 14 2HD ARG 14 10.133 5.637 13.233 76 HE ARG 14 HE ARG 14 10.818 8.193 12.178 77 HH11 ARG 14 2HH2 ARG 14 11.441 4.792 11.524 78 HH12 ARG 14 1HH2 ARG 14 11.674 5.030 9.824 79 HH21 ARG 14 2HH1 ARG 14 11.125 8.508 9.935 80 HH22 ARG 14 1HH1 ARG 14 11.493 7.158 8.915 81 H ALA 15 H ALA 15 6.876 8.018 12.579 82 HA ALA 15 HA ALA 15 4.988 6.096 13.413 83 HB1 ALA 15 1HB ALA 15 4.119 7.912 14.794 84 HB2 ALA 15 2HB ALA 15 4.097 9.008 13.392 85 HB3 ALA 15 3HB ALA 15 3.000 7.608 13.444 86 H LEU 16 H LEU 16 4.429 5.073 11.556 87 HA LEU 16 HA LEU 16 4.525 6.685 9.100 88 HB2 LEU 16 1HB LEU 16 5.169 3.747 9.349 89 HB3 LEU 16 2HB LEU 16 5.323 4.754 7.923 90 HG LEU 16 HG LEU 16 6.923 5.188 10.458 91 HD11 LEU 16 1HD1 LEU 16 7.204 3.136 8.455 92 HD12 LEU 16 2HD1 LEU 16 8.608 4.230 8.416 93 HD13 LEU 16 3HD1 LEU 16 8.153 3.419 9.934 94 HD21 LEU 16 1HD2 LEU 16 6.864 7.202 9.233 95 HD22 LEU 16 2HD2 LEU 16 8.420 6.438 8.829 96 HD23 LEU 16 3HD2 LEU 16 7.064 6.360 7.677 97 HA PRO 17 HA PRO 17 0.466 5.401 8.404 98 HB2 PRO 17 1HB PRO 17 0.293 5.412 5.677 99 HB3 PRO 17 2HB PRO 17 0.208 6.868 6.648 100 HG2 PRO 17 1HG PRO 17 2.446 5.871 4.993 101 HG3 PRO 17 2HG PRO 17 2.175 7.487 5.614 102 HD2 PRO 17 1HD PRO 17 4.023 5.545 6.633 103 HD3 PRO 17 2HD PRO 17 3.668 7.117 7.322 104 H VAL 18 H VAL 18 -1.049 3.750 7.740 105 HA VAL 18 HA VAL 18 0.441 1.252 7.418 106 HB VAL 18 HB VAL 18 -2.266 1.960 8.534 107 HG11 VAL 18 1HG1 VAL 18 -2.765 -0.391 8.809 108 HG12 VAL 18 2HG1 VAL 18 -2.460 -0.063 7.087 109 HG13 VAL 18 3HG1 VAL 18 -1.208 -0.849 8.078 110 HG21 VAL 18 1HG2 VAL 18 -0.889 2.141 10.331 111 HG22 VAL 18 2HG2 VAL 18 -1.078 0.371 10.369 112 HG23 VAL 18 3HG2 VAL 18 0.363 1.096 9.617 113 H LEU 19 H LEU 19 0.747 0.884 5.254 114 HA LEU 19 HA LEU 19 -1.367 1.570 3.411 115 HB2 LEU 19 1HB LEU 19 0.997 2.031 2.916 116 HB3 LEU 19 2HB LEU 19 1.345 0.314 2.968 117 HG LEU 19 HG LEU 19 -0.577 0.251 1.105 118 HD11 LEU 19 1HD1 LEU 19 0.690 2.956 0.616 119 HD12 LEU 19 2HD1 LEU 19 -0.575 2.149 -0.342 120 HD13 LEU 19 3HD1 LEU 19 -0.936 2.725 1.303 121 HD21 LEU 19 1HD2 LEU 19 1.793 1.062 -0.280 122 HD22 LEU 19 2HD2 LEU 19 2.256 0.125 1.160 123 HD23 LEU 19 3HD2 LEU 19 1.135 -0.574 -0.034 124 H THR 20 H THR 20 -3.096 0.246 3.248 125 HA THR 20 HA THR 20 -2.821 -2.545 3.934 126 HB THR 20 HB THR 20 -5.229 -0.993 2.858 127 HG1 THR 20 1HG THR 20 -4.511 0.075 4.748 128 HG21 THR 20 1HG2 THR 20 -6.506 -2.619 4.217 129 HG22 THR 20 2HG2 THR 20 -5.484 -3.502 3.057 130 HG23 THR 20 3HG2 THR 20 -4.992 -3.381 4.764 131 H LEU 21 H LEU 21 -1.782 -3.834 2.524 132 HA LEU 21 HA LEU 21 -2.283 -3.390 -0.314 133 HB2 LEU 21 1HB LEU 21 -0.026 -3.536 -0.032 134 HB3 LEU 21 2HB LEU 21 -0.139 -4.663 1.305 135 HG LEU 21 HG LEU 21 -0.734 -6.473 -0.282 136 HD11 LEU 21 1HD1 LEU 21 -0.801 -4.213 -2.177 137 HD12 LEU 21 2HD1 LEU 21 0.032 -5.672 -2.765 138 HD13 LEU 21 3HD1 LEU 21 -1.655 -5.774 -2.207 139 HD21 LEU 21 1HD2 LEU 21 1.430 -6.985 -0.561 140 HD22 LEU 21 2HD2 LEU 21 1.772 -5.499 -1.478 141 HD23 LEU 21 3HD2 LEU 21 1.736 -5.459 0.301 142 H PHE 22 H PHE 22 -3.689 -4.624 -1.446 143 HA PHE 22 HA PHE 22 -4.669 -7.031 -0.090 144 HB2 PHE 22 1HB PHE 22 -5.792 -5.065 -2.164 145 HB3 PHE 22 2HB PHE 22 -6.595 -6.585 -1.824 146 HD1 PHE 22 2HD PHE 22 -7.166 -7.016 0.701 147 HD2 PHE 22 1HD PHE 22 -6.373 -3.185 -0.942 148 HE1 PHE 22 2HE PHE 22 -8.387 -5.943 2.614 149 HE2 PHE 22 1HE PHE 22 -7.593 -2.112 0.971 150 HZ PHE 22 HZ PHE 22 -8.585 -3.504 2.726 151 H THR 23 H THR 23 -3.340 -8.683 -0.834 152 HA THR 23 HA THR 23 -3.061 -8.883 -3.759 153 HB THR 23 HB THR 23 -0.878 -8.749 -2.810 154 HG1 THR 23 1HG THR 23 -1.612 -11.574 -2.585 155 HG21 THR 23 1HG2 THR 23 -2.035 -10.494 -0.587 156 HG22 THR 23 2HG2 THR 23 -0.280 -10.352 -0.852 157 HG23 THR 23 3HG2 THR 23 -1.236 -8.911 -0.429 158 H LYS 24 H LYS 24 -2.977 -11.180 -4.601 159 HA LYS 24 HA LYS 24 -4.432 -13.092 -3.022 160 HB2 LYS 24 1HB LYS 24 -6.305 -13.324 -4.563 161 HB3 LYS 24 2HB LYS 24 -6.273 -11.721 -3.857 162 HG2 LYS 24 1HG LYS 24 -6.226 -10.816 -5.933 163 HG3 LYS 24 2HG LYS 24 -4.673 -11.575 -6.222 164 HD2 LYS 24 1HD LYS 24 -5.653 -12.898 -7.778 165 HD3 LYS 24 2HD LYS 24 -6.573 -13.667 -6.500 166 HE2 LYS 24 1HE LYS 24 -8.126 -11.492 -6.759 167 HE3 LYS 24 2HE LYS 24 -7.402 -11.430 -8.354 168 HZ1 LYS 24 1HZ LYS 24 -9.293 -12.755 -8.529 169 HZ2 LYS 24 2HZ LYS 24 -8.055 -13.820 -8.541 170 HZ3 LYS 24 3HZ LYS 24 -8.953 -13.627 -7.191 171 H ALA 25 H ALA 25 -5.005 -15.017 -4.819 172 HA ALA 25 HA ALA 25 -2.894 -15.237 -6.761 173 HB1 ALA 25 1HB ALA 25 -1.781 -17.119 -5.770 174 HB2 ALA 25 2HB ALA 25 -1.851 -15.851 -4.523 175 HB3 ALA 25 3HB ALA 25 -2.984 -17.222 -4.461 176 HA PRO 26 HA PRO 26 -2.248 -16.618 -7.965 177 HB2 PRO 26 1HB PRO 26 -2.565 -16.951 -10.659 178 HB3 PRO 26 2HB PRO 26 -2.115 -18.255 -9.579 179 HG2 PRO 26 1HG PRO 26 -4.725 -17.731 -10.865 180 HG3 PRO 26 2HG PRO 26 -4.133 -19.216 -10.146 181 HD2 PRO 26 1HD PRO 26 -6.013 -17.381 -8.993 182 HD3 PRO 26 2HD PRO 26 -5.333 -18.804 -8.229 183 H CYS 27 H CYS 27 -1.280 -14.691 -8.247 184 HA CYS 27 HA CYS 27 -2.445 -12.841 -10.045 185 HB2 CYS 27 1HB CYS 27 -3.563 -12.802 -7.453 186 HB3 CYS 27 2HB CYS 27 -2.466 -11.437 -7.509 187 HG CYS 27 HG CYS 27 -4.499 -10.270 -8.258 188 HA PRO 28 HA PRO 28 1.924 -12.260 -9.417 189 HB2 PRO 28 1HB PRO 28 2.496 -11.405 -11.949 190 HB3 PRO 28 2HB PRO 28 2.509 -13.094 -11.481 191 HG2 PRO 28 1HG PRO 28 0.492 -11.625 -13.067 192 HG3 PRO 28 2HG PRO 28 0.748 -13.355 -12.949 193 HD2 PRO 28 1HD PRO 28 -1.323 -11.836 -11.672 194 HD3 PRO 28 2HD PRO 28 -0.996 -13.545 -11.463 195 H LEU 29 H LEU 29 -0.159 -9.965 -11.075 196 HA LEU 29 HA LEU 29 1.375 -7.731 -10.811 197 HB2 LEU 29 1HB LEU 29 -1.619 -7.899 -10.450 198 HB3 LEU 29 2HB LEU 29 -0.699 -6.478 -10.903 199 HG LEU 29 HG LEU 29 -1.389 -8.898 -12.531 200 HD11 LEU 29 1HD1 LEU 29 -1.667 -6.956 -14.243 201 HD12 LEU 29 2HD1 LEU 29 -2.878 -7.182 -12.958 202 HD13 LEU 29 3HD1 LEU 29 -1.636 -5.917 -12.798 203 HD21 LEU 29 1HD2 LEU 29 1.101 -7.239 -12.822 204 HD22 LEU 29 2HD2 LEU 29 0.887 -9.002 -12.951 205 HD23 LEU 29 3HD2 LEU 29 0.300 -7.936 -14.251 206 H CYS 30 H CYS 30 -0.248 -9.614 -8.308 207 HA CYS 30 HA CYS 30 -0.124 -7.522 -6.372 208 HB2 CYS 30 1HB CYS 30 -0.705 -10.490 -6.136 209 HB3 CYS 30 2HB CYS 30 -0.732 -9.385 -4.776 210 HG CYS 30 HG CYS 30 -2.195 -8.101 -7.284 211 H ASP 31 H ASP 31 1.529 -10.744 -6.809 212 HA ASP 31 HA ASP 31 3.327 -10.566 -4.838 213 HB2 ASP 31 1HB ASP 31 3.701 -11.614 -7.679 214 HB3 ASP 31 2HB ASP 31 4.869 -11.902 -6.405 215 H GLU 32 H GLU 32 3.726 -9.401 -8.270 216 HA GLU 32 HA GLU 32 6.242 -8.361 -7.973 217 HB2 GLU 32 1HB GLU 32 4.491 -8.619 -10.040 218 HB3 GLU 32 2HB GLU 32 4.336 -6.896 -9.761 219 HG2 GLU 32 1HG GLU 32 6.264 -6.576 -10.907 220 HG3 GLU 32 2HG GLU 32 7.126 -7.410 -9.630 221 H ALA 33 H ALA 33 3.026 -6.700 -7.652 222 HA ALA 33 HA ALA 33 3.729 -4.169 -7.195 223 HB1 ALA 33 1HB ALA 33 1.872 -4.789 -5.139 224 HB2 ALA 33 2HB ALA 33 1.523 -4.182 -6.775 225 HB3 ALA 33 3HB ALA 33 1.556 -5.934 -6.465 226 H LYS 34 H LYS 34 3.665 -6.715 -4.595 227 HA LYS 34 HA LYS 34 4.622 -5.225 -2.542 228 HB2 LYS 34 1HB LYS 34 5.264 -8.118 -3.188 229 HB3 LYS 34 2HB LYS 34 5.487 -7.359 -1.625 230 HG2 LYS 34 1HG LYS 34 3.271 -7.516 -1.114 231 HG3 LYS 34 2HG LYS 34 2.783 -6.867 -2.667 232 HD2 LYS 34 1HD LYS 34 2.281 -8.935 -3.455 233 HD3 LYS 34 2HD LYS 34 3.873 -9.540 -3.043 234 HE2 LYS 34 1HE LYS 34 2.158 -9.139 -0.665 235 HE3 LYS 34 2HE LYS 34 1.472 -10.277 -1.806 236 HZ1 LYS 34 1HZ LYS 34 4.225 -10.737 -1.499 237 HZ2 LYS 34 2HZ LYS 34 3.496 -10.751 -0.038 238 HZ3 LYS 34 3HZ LYS 34 2.978 -11.753 -1.219 239 H GLU 35 H GLU 35 6.574 -6.969 -5.052 240 HA GLU 35 HA GLU 35 9.029 -6.314 -4.063 241 HB2 GLU 35 1HB GLU 35 8.368 -6.436 -7.031 242 HB3 GLU 35 2HB GLU 35 9.887 -6.848 -6.261 243 HG2 GLU 35 1HG GLU 35 8.380 -8.591 -4.910 244 HG3 GLU 35 2HG GLU 35 7.283 -8.387 -6.261 245 H VAL 36 H VAL 36 6.642 -4.303 -5.707 246 HA VAL 36 HA VAL 36 8.540 -2.257 -6.392 247 HB VAL 36 HB VAL 36 5.523 -2.127 -6.341 248 HG11 VAL 36 1HG1 VAL 36 5.682 -0.268 -7.707 249 HG12 VAL 36 2HG1 VAL 36 7.107 -0.051 -6.662 250 HG13 VAL 36 3HG1 VAL 36 7.299 -0.707 -8.306 251 HG21 VAL 36 1HG2 VAL 36 5.408 -3.056 -8.495 252 HG22 VAL 36 2HG2 VAL 36 7.160 -2.897 -8.761 253 HG23 VAL 36 3HG2 VAL 36 6.540 -4.119 -7.625 254 H LEU 37 H LEU 37 6.750 -3.275 -3.591 255 HA LEU 37 HA LEU 37 7.009 -0.609 -2.411 256 HB2 LEU 37 1HB LEU 37 5.410 -3.035 -1.588 257 HB3 LEU 37 2HB LEU 37 5.543 -1.573 -0.631 258 HG LEU 37 HG LEU 37 4.151 -1.986 -3.268 259 HD11 LEU 37 1HD1 LEU 37 3.339 -0.933 -0.553 260 HD12 LEU 37 2HD1 LEU 37 2.327 -0.765 -2.007 261 HD13 LEU 37 3HD1 LEU 37 2.752 -2.384 -1.401 262 HD21 LEU 37 1HD2 LEU 37 5.072 0.655 -2.112 263 HD22 LEU 37 2HD2 LEU 37 5.444 -0.034 -3.711 264 HD23 LEU 37 3HD2 LEU 37 3.788 0.498 -3.335 265 H GLN 38 H GLN 38 9.104 -2.888 -2.993 266 HA GLN 38 HA GLN 38 9.869 -3.867 -0.510 267 HB2 GLN 38 1HB GLN 38 10.930 -3.796 -3.251 268 HB3 GLN 38 2HB GLN 38 12.211 -3.698 -2.058 269 HG2 GLN 38 1HG GLN 38 10.472 -5.675 -1.036 270 HG3 GLN 38 2HG GLN 38 10.496 -5.980 -2.761 271 HE21 GLN 38 1HE2 GLN 38 13.100 -4.934 -3.270 272 HE22 GLN 38 2HE2 GLN 38 14.273 -6.032 -2.625 273 HA PRO 39 HA PRO 39 12.746 -0.091 -0.419 274 HB2 PRO 39 1HB PRO 39 12.390 1.935 -2.218 275 HB3 PRO 39 2HB PRO 39 13.564 0.652 -2.438 276 HG2 PRO 39 1HG PRO 39 10.959 1.032 -3.783 277 HG3 PRO 39 2HG PRO 39 12.311 0.031 -4.272 278 HD2 PRO 39 1HD PRO 39 9.870 -0.857 -3.056 279 HD3 PRO 39 2HD PRO 39 11.268 -1.841 -3.439 280 H TYR 40 H TYR 40 9.509 -0.248 -0.427 281 HA TYR 40 HA TYR 40 9.349 2.246 1.129 282 HB2 TYR 40 1HB TYR 40 7.253 0.725 -0.546 283 HB3 TYR 40 2HB TYR 40 6.948 2.232 0.296 284 HD1 TYR 40 2HD TYR 40 7.822 4.358 -0.565 285 HD2 TYR 40 1HD TYR 40 8.536 0.679 -2.629 286 HE1 TYR 40 2HE TYR 40 8.530 5.649 -2.637 287 HE2 TYR 40 1HE TYR 40 9.242 1.983 -4.694 288 HH TYR 40 HH TYR 40 8.559 5.180 -5.126 289 H LYS 41 H LYS 41 9.715 -0.954 1.535 290 HA LYS 41 HA LYS 41 7.486 -1.751 3.018 291 HB2 LYS 41 1HB LYS 41 8.818 -3.603 3.689 292 HB3 LYS 41 2HB LYS 41 9.258 -3.227 2.035 293 HG2 LYS 41 1HG LYS 41 11.282 -2.055 2.767 294 HG3 LYS 41 2HG LYS 41 10.806 -2.179 4.449 295 HD2 LYS 41 1HD LYS 41 10.763 -4.839 3.328 296 HD3 LYS 41 2HD LYS 41 12.276 -4.089 2.860 297 HE2 LYS 41 1HE LYS 41 11.654 -3.493 5.663 298 HE3 LYS 41 2HE LYS 41 11.644 -5.223 5.383 299 HZ1 LYS 41 1HZ LYS 41 13.831 -4.982 5.603 300 HZ2 LYS 41 2HZ LYS 41 13.816 -4.476 4.051 301 HZ3 LYS 41 3HZ LYS 41 13.833 -3.385 5.265 302 H ASP 42 H ASP 42 10.369 0.191 3.812 303 HA ASP 42 HA ASP 42 9.633 0.139 6.596 304 HB2 ASP 42 1HB ASP 42 12.059 0.331 5.259 305 HB3 ASP 42 2HB ASP 42 11.762 2.007 5.677 306 H ARG 43 H ARG 43 9.087 1.940 3.682 307 HA ARG 43 HA ARG 43 8.959 4.507 4.753 308 HB2 ARG 43 1HB ARG 43 7.905 3.150 2.259 309 HB3 ARG 43 2HB ARG 43 7.328 4.762 2.635 310 HG2 ARG 43 1HG ARG 43 10.293 4.045 2.510 311 HG3 ARG 43 2HG ARG 43 9.400 4.652 1.130 312 HD2 ARG 43 1HD ARG 43 10.169 6.679 1.952 313 HD3 ARG 43 2HD ARG 43 8.689 6.574 2.885 314 HE ARG 43 HE ARG 43 9.966 6.289 4.822 315 HH11 ARG 43 2HH2 ARG 43 11.961 5.540 2.022 316 HH12 ARG 43 1HH2 ARG 43 13.415 5.357 2.947 317 HH21 ARG 43 2HH1 ARG 43 11.882 6.048 6.042 318 HH22 ARG 43 1HH1 ARG 43 13.369 5.648 5.249 319 H PHE 44 H PHE 44 7.013 1.745 5.255 320 HA PHE 44 HA PHE 44 5.217 3.036 6.907 321 HB2 PHE 44 1HB PHE 44 3.154 2.668 5.361 322 HB3 PHE 44 2HB PHE 44 4.186 4.017 4.930 323 HD1 PHE 44 1HD PHE 44 4.013 0.346 4.223 324 HD2 PHE 44 2HD PHE 44 4.646 4.253 2.693 325 HE1 PHE 44 1HE PHE 44 4.292 -0.603 1.916 326 HE2 PHE 44 2HE PHE 44 4.924 3.304 0.386 327 HZ PHE 44 HZ PHE 44 4.744 0.888 0.025 328 H ILE 45 H ILE 45 3.165 1.494 7.291 329 HA ILE 45 HA ILE 45 4.316 -1.164 7.504 330 HB ILE 45 HB ILE 45 1.923 0.173 8.760 331 HG12 ILE 45 1HG1 ILE 45 4.250 -0.945 10.273 332 HG13 ILE 45 2HG1 ILE 45 4.467 0.572 9.423 333 HG21 ILE 45 1HG2 ILE 45 1.040 -1.811 9.201 334 HG22 ILE 45 2HG2 ILE 45 2.363 -2.622 8.329 335 HG23 ILE 45 3HG2 ILE 45 2.526 -2.271 10.066 336 HD11 ILE 45 1HD1 ILE 45 1.942 0.342 11.007 337 HD12 ILE 45 2HD1 ILE 45 3.452 0.405 11.947 338 HD13 ILE 45 3HD1 ILE 45 3.048 1.725 10.822 339 H LEU 46 H LEU 46 4.131 -2.275 5.598 340 HA LEU 46 HA LEU 46 1.809 -1.962 3.962 341 HB2 LEU 46 1HB LEU 46 4.059 -2.318 3.056 342 HB3 LEU 46 2HB LEU 46 4.123 -3.899 3.808 343 HG LEU 46 HG LEU 46 2.249 -4.660 2.403 344 HD11 LEU 46 1HD1 LEU 46 2.159 -1.792 1.671 345 HD12 LEU 46 2HD1 LEU 46 1.923 -2.951 0.341 346 HD13 LEU 46 3HD1 LEU 46 0.858 -3.003 1.766 347 HD21 LEU 46 1HD2 LEU 46 3.696 -5.308 0.838 348 HD22 LEU 46 2HD2 LEU 46 3.957 -3.641 0.270 349 HD23 LEU 46 3HD2 LEU 46 4.887 -4.266 1.653 350 H GLN 47 H GLN 47 -0.118 -2.728 4.674 351 HA GLN 47 HA GLN 47 -0.082 -5.170 6.217 352 HB2 GLN 47 1HB GLN 47 -1.447 -2.924 6.687 353 HB3 GLN 47 2HB GLN 47 -2.604 -3.639 5.583 354 HG2 GLN 47 1HG GLN 47 -2.440 -5.783 7.037 355 HG3 GLN 47 2HG GLN 47 -1.590 -4.798 8.211 356 HE21 GLN 47 1HE2 GLN 47 -2.665 -2.696 8.782 357 HE22 GLN 47 2HE2 GLN 47 -4.379 -2.704 9.032 358 H GLU 48 H GLU 48 0.152 -6.919 4.828 359 HA GLU 48 HA GLU 48 -1.201 -6.910 2.327 360 HB2 GLU 48 1HB GLU 48 0.800 -8.591 3.727 361 HB3 GLU 48 2HB GLU 48 -0.296 -9.504 2.709 362 HG2 GLU 48 1HG GLU 48 0.527 -8.589 0.759 363 HG3 GLU 48 2HG GLU 48 0.740 -7.000 1.467 364 H VAL 49 H VAL 49 -3.401 -7.166 2.293 365 HA VAL 49 HA VAL 49 -4.573 -8.990 4.254 366 HB VAL 49 HB VAL 49 -5.743 -6.852 2.465 367 HG11 VAL 49 1HG1 VAL 49 -7.737 -7.426 4.208 368 HG12 VAL 49 2HG1 VAL 49 -7.604 -8.142 2.584 369 HG13 VAL 49 3HG1 VAL 49 -7.023 -9.044 4.005 370 HG21 VAL 49 1HG2 VAL 49 -4.928 -6.987 5.340 371 HG22 VAL 49 2HG2 VAL 49 -4.805 -5.647 4.175 372 HG23 VAL 49 3HG2 VAL 49 -6.374 -6.039 4.920 373 H ASP 50 H ASP 50 -5.307 -10.977 3.671 374 HA ASP 50 HA ASP 50 -4.951 -11.707 0.932 375 HB2 ASP 50 1HB ASP 50 -5.828 -13.238 3.421 376 HB3 ASP 50 2HB ASP 50 -5.726 -13.992 1.843 377 H ILE 51 H ILE 51 -6.662 -10.999 -0.398 378 HA ILE 51 HA ILE 51 -9.342 -10.930 0.633 379 HB ILE 51 HB ILE 51 -9.892 -10.054 -1.588 380 HG12 ILE 51 1HG1 ILE 51 -6.992 -10.013 -2.347 381 HG13 ILE 51 2HG1 ILE 51 -7.914 -11.478 -2.626 382 HG21 ILE 51 1HG2 ILE 51 -7.506 -8.448 -0.940 383 HG22 ILE 51 2HG2 ILE 51 -9.225 -7.991 -1.007 384 HG23 ILE 51 3HG2 ILE 51 -8.575 -8.802 0.438 385 HD11 ILE 51 1HD1 ILE 51 -7.913 -9.057 -4.177 386 HD12 ILE 51 2HD1 ILE 51 -8.823 -10.557 -4.479 387 HD13 ILE 51 3HD1 ILE 51 -9.541 -9.265 -3.486 388 H THR 52 H THR 52 -7.375 -13.424 -0.259 389 HA THR 52 HA THR 52 -9.335 -14.841 -1.874 390 HB THR 52 HB THR 52 -7.387 -16.616 -1.612 391 HG1 THR 52 1HG THR 52 -6.441 -15.383 0.198 392 HG21 THR 52 1HG2 THR 52 -7.056 -15.769 -3.723 393 HG22 THR 52 2HG2 THR 52 -7.546 -14.133 -3.221 394 HG23 THR 52 3HG2 THR 52 -5.873 -14.681 -2.958 395 H LEU 53 H LEU 53 -9.771 -13.965 1.047 396 HA LEU 53 HA LEU 53 -10.357 -16.668 2.041 397 HB2 LEU 53 1HB LEU 53 -9.565 -14.166 3.526 398 HB3 LEU 53 2HB LEU 53 -10.293 -15.552 4.313 399 HG LEU 53 HG LEU 53 -7.836 -15.484 4.534 400 HD11 LEU 53 1HD1 LEU 53 -8.175 -17.660 4.841 401 HD12 LEU 53 2HD1 LEU 53 -9.414 -17.721 3.564 402 HD13 LEU 53 3HD1 LEU 53 -7.694 -17.895 3.143 403 HD21 LEU 53 1HD2 LEU 53 -6.338 -15.562 2.781 404 HD22 LEU 53 2HD2 LEU 53 -7.540 -16.202 1.635 405 HD23 LEU 53 3HD2 LEU 53 -7.605 -14.494 2.132 406 HA PRO 54 HA PRO 54 -14.505 -15.488 2.157 407 HB2 PRO 54 1HB PRO 54 -15.497 -16.890 4.283 408 HB3 PRO 54 2HB PRO 54 -15.197 -17.612 2.715 409 HG2 PRO 54 1HG PRO 54 -13.631 -17.877 5.208 410 HG3 PRO 54 2HG PRO 54 -13.604 -18.895 3.782 411 HD2 PRO 54 1HD PRO 54 -11.652 -16.929 4.523 412 HD3 PRO 54 2HD PRO 54 -11.687 -17.864 3.041 413 H GLU 55 H GLU 55 -12.679 -14.969 5.041 414 HA GLU 55 HA GLU 55 -14.642 -13.406 6.286 415 HB2 GLU 55 1HB GLU 55 -12.704 -12.646 7.727 416 HB3 GLU 55 2HB GLU 55 -12.897 -14.384 7.631 417 HG2 GLU 55 1HG GLU 55 -11.071 -14.604 6.060 418 HG3 GLU 55 2HG GLU 55 -11.024 -12.878 5.760 419 H ASN 56 H ASN 56 -11.934 -12.725 4.031 420 HA ASN 56 HA ASN 56 -12.590 -9.909 4.179 421 HB2 ASN 56 1HB ASN 56 -10.384 -11.212 2.513 422 HB3 ASN 56 2HB ASN 56 -10.489 -9.533 3.004 423 HD21 ASN 56 1HD2 ASN 56 -8.910 -12.293 3.552 424 HD22 ASN 56 2HD2 ASN 56 -8.453 -12.129 5.215 425 H SER 57 H SER 57 -13.854 -12.521 2.690 426 HA SER 57 HA SER 57 -13.685 -12.426 0.065 427 HB2 SER 57 1HB SER 57 -15.321 -13.723 1.659 428 HB3 SER 57 2HB SER 57 -16.443 -12.418 1.328 429 HG SER 57 HG SER 57 -15.161 -14.060 -0.689 430 H THR 58 H THR 58 -15.141 -9.939 2.153 431 HA THR 58 HA THR 58 -16.559 -8.548 0.161 432 HB THR 58 HB THR 58 -15.412 -7.905 2.910 433 HG1 THR 58 1HG THR 58 -18.028 -8.135 1.594 434 HG21 THR 58 1HG2 THR 58 -17.368 -5.983 2.323 435 HG22 THR 58 2HG2 THR 58 -15.618 -5.670 2.421 436 HG23 THR 58 3HG2 THR 58 -16.375 -6.012 0.846 437 H TRP 59 H TRP 59 -13.285 -7.890 1.587 438 HA TRP 59 HA TRP 59 -12.605 -5.754 0.067 439 HB2 TRP 59 1HB TRP 59 -10.997 -8.037 1.171 440 HB3 TRP 59 2HB TRP 59 -10.226 -6.783 0.221 441 HD1 TRP 59 HD TRP 59 -11.267 -7.494 3.727 442 HE1 TRP 59 1HE TRP 59 -11.023 -5.409 5.326 443 HE3 TRP 59 3HE TRP 59 -10.617 -4.069 0.025 444 HZ2 TRP 59 2HZ TRP 59 -10.596 -2.624 4.873 445 HZ3 TRP 59 3HZ TRP 59 -10.293 -1.689 0.689 446 HH2 TRP 59 HH TRP 59 -10.275 -0.946 3.018 447 H TYR 60 H TYR 60 -12.708 -9.231 -0.824 448 HA TYR 60 HA TYR 60 -11.479 -8.830 -3.364 449 HB2 TYR 60 1HB TYR 60 -11.690 -10.948 -1.833 450 HB3 TYR 60 2HB TYR 60 -13.366 -11.033 -2.334 451 HD1 TYR 60 2HD TYR 60 -13.931 -11.509 -4.731 452 HD2 TYR 60 1HD TYR 60 -9.918 -11.710 -3.263 453 HE1 TYR 60 2HE TYR 60 -13.245 -12.862 -6.771 454 HE2 TYR 60 1HE TYR 60 -9.245 -13.062 -5.308 455 HH TYR 60 HH TYR 60 -10.650 -14.676 -6.940 456 H GLU 61 H GLU 61 -14.881 -9.513 -2.274 457 HA GLU 61 HA GLU 61 -16.036 -9.490 -4.725 458 HB2 GLU 61 1HB GLU 61 -17.063 -8.615 -2.003 459 HB3 GLU 61 2HB GLU 61 -18.107 -8.611 -3.411 460 HG2 GLU 61 1HG GLU 61 -16.818 -11.129 -3.501 461 HG3 GLU 61 2HG GLU 61 -17.170 -10.882 -1.802 462 H ARG 62 H ARG 62 -14.594 -6.834 -2.971 463 HA ARG 62 HA ARG 62 -15.990 -4.929 -4.641 464 HB2 ARG 62 1HB ARG 62 -15.047 -3.211 -3.142 465 HB3 ARG 62 2HB ARG 62 -15.810 -4.465 -2.185 466 HG2 ARG 62 1HG ARG 62 -13.702 -5.443 -1.572 467 HG3 ARG 62 2HG ARG 62 -12.840 -4.582 -2.832 468 HD2 ARG 62 1HD ARG 62 -14.015 -3.439 -0.264 469 HD3 ARG 62 2HD ARG 62 -12.337 -3.435 -0.770 470 HE ARG 62 HE ARG 62 -13.522 -2.024 -2.798 471 HH11 ARG 62 2HH2 ARG 62 -13.746 -1.747 0.703 472 HH12 ARG 62 1HH2 ARG 62 -14.054 -0.043 0.677 473 HH21 ARG 62 2HH1 ARG 62 -13.929 0.224 -2.833 474 HH22 ARG 62 1HH1 ARG 62 -14.159 1.086 -1.349 475 H TYR 63 H TYR 63 -12.861 -6.497 -4.086 476 HA TYR 63 HA TYR 63 -11.803 -5.052 -6.406 477 HB2 TYR 63 1HB TYR 63 -10.504 -5.688 -3.684 478 HB3 TYR 63 2HB TYR 63 -9.591 -5.095 -5.057 479 HD1 TYR 63 1HD TYR 63 -11.451 -3.015 -6.125 480 HD2 TYR 63 2HD TYR 63 -10.346 -3.963 -2.102 481 HE1 TYR 63 1HE TYR 63 -11.949 -0.624 -5.417 482 HE2 TYR 63 2HE TYR 63 -10.848 -1.570 -1.408 483 HH TYR 63 HH TYR 63 -11.254 0.464 -2.130 484 H LYS 64 H LYS 64 -12.720 -7.223 -7.273 485 HA LYS 64 HA LYS 64 -10.813 -9.383 -6.745 486 HB2 LYS 64 1HB LYS 64 -12.490 -10.884 -7.615 487 HB3 LYS 64 2HB LYS 64 -13.199 -9.883 -6.363 488 HG2 LYS 64 1HG LYS 64 -13.939 -8.302 -8.312 489 HG3 LYS 64 2HG LYS 64 -13.557 -9.643 -9.374 490 HD2 LYS 64 1HD LYS 64 -15.510 -10.676 -8.862 491 HD3 LYS 64 2HD LYS 64 -15.128 -10.645 -7.152 492 HE2 LYS 64 1HE LYS 64 -15.806 -7.998 -7.584 493 HE3 LYS 64 2HE LYS 64 -16.849 -8.801 -8.742 494 HZ1 LYS 64 1HZ LYS 64 -18.118 -9.465 -7.090 495 HZ2 LYS 64 2HZ LYS 64 -16.879 -10.205 -6.325 496 HZ3 LYS 64 3HZ LYS 64 -17.201 -8.632 -6.026 497 H PHE 65 H PHE 65 -11.603 -6.856 -8.938 498 HA PHE 65 HA PHE 65 -9.815 -8.079 -10.895 499 HB2 PHE 65 1HB PHE 65 -11.456 -6.940 -12.610 500 HB3 PHE 65 2HB PHE 65 -11.991 -8.438 -11.875 501 HD1 PHE 65 1HD PHE 65 -12.172 -4.752 -11.313 502 HD2 PHE 65 2HD PHE 65 -14.096 -8.513 -10.922 503 HE1 PHE 65 1HE PHE 65 -14.246 -3.605 -10.486 504 HE2 PHE 65 2HE PHE 65 -16.170 -7.367 -10.095 505 HZ PHE 65 HZ PHE 65 -16.220 -4.926 -9.887 506 H ASP 66 H ASP 66 -10.081 -5.753 -8.697 507 HA ASP 66 HA ASP 66 -8.974 -3.737 -10.491 508 HB2 ASP 66 1HB ASP 66 -10.125 -3.009 -7.797 509 HB3 ASP 66 2HB ASP 66 -9.990 -2.020 -9.237 510 H ILE 67 H ILE 67 -7.610 -5.997 -9.104 511 HA ILE 67 HA ILE 67 -6.127 -4.549 -7.028 512 HB ILE 67 HB ILE 67 -5.348 -7.170 -6.867 513 HG12 ILE 67 1HG1 ILE 67 -8.297 -7.132 -7.572 514 HG13 ILE 67 2HG1 ILE 67 -7.018 -7.887 -8.501 515 HG21 ILE 67 1HG2 ILE 67 -6.180 -7.042 -4.758 516 HG22 ILE 67 2HG2 ILE 67 -6.288 -5.319 -5.188 517 HG23 ILE 67 3HG2 ILE 67 -7.733 -6.352 -5.285 518 HD11 ILE 67 1HD1 ILE 67 -8.475 -8.958 -6.247 519 HD12 ILE 67 2HD1 ILE 67 -7.259 -9.765 -7.265 520 HD13 ILE 67 3HD1 ILE 67 -6.750 -8.858 -5.821 521 HA PRO 68 HA PRO 68 -4.364 -5.692 -6.062 522 HB2 PRO 68 1HB PRO 68 -1.962 -4.623 -5.316 523 HB3 PRO 68 2HB PRO 68 -2.183 -6.323 -5.680 524 HG2 PRO 68 1HG PRO 68 -0.892 -4.230 -7.319 525 HG3 PRO 68 2HG PRO 68 -0.753 -5.972 -7.455 526 HD2 PRO 68 1HD PRO 68 -2.301 -4.237 -9.135 527 HD3 PRO 68 2HD PRO 68 -2.254 -5.988 -9.197 528 H VAL 69 H VAL 69 -4.877 -4.372 -4.264 529 HA VAL 69 HA VAL 69 -5.269 -1.608 -5.167 530 HB VAL 69 HB VAL 69 -6.741 -3.334 -3.173 531 HG11 VAL 69 1HG1 VAL 69 -6.624 -1.119 -2.224 532 HG12 VAL 69 2HG1 VAL 69 -7.073 -0.378 -3.778 533 HG13 VAL 69 3HG1 VAL 69 -8.257 -1.364 -2.887 534 HG21 VAL 69 1HG2 VAL 69 -8.072 -1.925 -5.447 535 HG22 VAL 69 2HG2 VAL 69 -7.070 -3.348 -5.823 536 HG23 VAL 69 3HG2 VAL 69 -8.440 -3.497 -4.697 537 H PHE 70 H PHE 70 -4.838 0.127 -3.646 538 HA PHE 70 HA PHE 70 -3.198 -0.673 -1.365 539 HB2 PHE 70 1HB PHE 70 -2.584 1.376 -3.578 540 HB3 PHE 70 2HB PHE 70 -1.645 1.253 -2.104 541 HD1 PHE 70 1HD PHE 70 -2.446 -0.367 -5.291 542 HD2 PHE 70 2HD PHE 70 -0.094 -0.572 -1.765 543 HE1 PHE 70 1HE PHE 70 -0.983 -2.099 -6.367 544 HE2 PHE 70 2HE PHE 70 1.369 -2.304 -2.841 545 HZ PHE 70 HZ PHE 70 0.907 -3.047 -5.130 546 H HIS 71 H HIS 71 -4.187 0.183 0.398 547 HA HIS 71 HA HIS 71 -5.504 2.771 0.028 548 HB2 HIS 71 1HB HIS 71 -6.027 0.533 2.001 549 HB3 HIS 71 2HB HIS 71 -6.772 2.116 2.108 550 HD1 HIS 71 1HD HIS 71 -9.057 0.675 1.828 551 HD2 HIS 71 2HD HIS 71 -6.568 0.907 -1.541 552 HE1 HIS 71 1HE HIS 71 -10.487 -0.020 -0.167 553 H LEU 72 H LEU 72 -4.423 4.495 0.826 554 HA LEU 72 HA LEU 72 -2.421 3.966 2.892 555 HB2 LEU 72 1HB LEU 72 -2.322 5.379 0.508 556 HB3 LEU 72 2HB LEU 72 -2.475 6.635 1.720 557 HG LEU 72 HG LEU 72 -0.281 4.599 1.382 558 HD11 LEU 72 1HD1 LEU 72 1.017 6.855 1.790 559 HD12 LEU 72 2HD1 LEU 72 0.330 6.462 0.195 560 HD13 LEU 72 3HD1 LEU 72 -0.528 7.579 1.283 561 HD21 LEU 72 1HD2 LEU 72 -1.184 5.902 3.904 562 HD22 LEU 72 2HD2 LEU 72 -0.399 4.327 3.636 563 HD23 LEU 72 3HD2 LEU 72 0.567 5.822 3.593 564 H ASN 73 H ASN 73 -3.034 4.296 4.955 565 HA ASN 73 HA ASN 73 -3.875 5.261 6.712 566 HB2 ASN 73 1HB ASN 73 -3.727 7.467 4.857 567 HB3 ASN 73 2HB ASN 73 -5.266 7.601 5.685 568 HD21 ASN 73 1HD2 ASN 73 -1.925 8.065 5.840 569 HD22 ASN 73 2HD2 ASN 73 -1.762 8.512 7.505 570 H GLY 74 H GLY 74 -5.397 3.474 4.846 571 HA2 GLY 74 1HA GLY 74 -7.451 2.532 4.848 572 HA3 GLY 74 2HA GLY 74 -7.984 3.713 6.028 573 H GLN 75 H GLN 75 -6.501 4.533 2.861 574 HA GLN 75 HA GLN 75 -9.117 5.162 1.820 575 HB2 GLN 75 1HB GLN 75 -7.813 7.171 3.097 576 HB3 GLN 75 2HB GLN 75 -7.076 7.336 1.516 577 HG2 GLN 75 1HG GLN 75 -10.067 7.010 1.609 578 HG3 GLN 75 2HG GLN 75 -9.413 8.541 2.156 579 HE21 GLN 75 1HE2 GLN 75 -9.999 6.436 -0.505 580 HE22 GLN 75 2HE2 GLN 75 -9.483 7.476 -1.791 581 H PHE 76 H PHE 76 -9.177 4.255 -0.186 582 HA PHE 76 HA PHE 76 -7.234 3.006 -1.481 583 HB2 PHE 76 1HB PHE 76 -9.340 2.900 -2.538 584 HB3 PHE 76 2HB PHE 76 -9.684 4.589 -2.224 585 HD1 PHE 76 1HD PHE 76 -7.201 2.641 -4.238 586 HD2 PHE 76 2HD PHE 76 -9.917 5.899 -4.094 587 HE1 PHE 76 1HE PHE 76 -6.664 3.195 -6.626 588 HE2 PHE 76 2HE PHE 76 -9.379 6.453 -6.482 589 HZ PHE 76 HZ PHE 76 -7.759 5.095 -7.720 590 H LEU 77 H LEU 77 -5.145 3.655 -1.810 591 HA LEU 77 HA LEU 77 -4.645 6.410 -2.541 592 HB2 LEU 77 1HB LEU 77 -2.871 6.039 -1.295 593 HB3 LEU 77 2HB LEU 77 -3.254 4.333 -1.172 594 HG LEU 77 HG LEU 77 -2.107 4.120 -3.491 595 HD11 LEU 77 1HD1 LEU 77 -1.920 6.407 -4.124 596 HD12 LEU 77 2HD1 LEU 77 -1.107 6.832 -2.598 597 HD13 LEU 77 3HD1 LEU 77 -0.274 5.813 -3.797 598 HD21 LEU 77 1HD2 LEU 77 -0.737 3.029 -2.124 599 HD22 LEU 77 2HD2 LEU 77 0.189 4.541 -1.960 600 HD23 LEU 77 3HD2 LEU 77 -1.081 4.142 -0.778 601 H MET 78 H MET 78 -4.348 3.086 -3.910 602 HA MET 78 HA MET 78 -4.852 4.007 -6.480 603 HB2 MET 78 1HB MET 78 -2.662 3.831 -7.525 604 HB3 MET 78 2HB MET 78 -2.444 4.854 -6.119 605 HG2 MET 78 1HG MET 78 -1.803 2.683 -4.835 606 HG3 MET 78 2HG MET 78 -1.706 1.911 -6.406 607 HE1 MET 78 1HE MET 78 0.527 1.621 -4.838 608 HE2 MET 78 2HE MET 78 1.964 2.629 -5.137 609 HE3 MET 78 3HE MET 78 0.768 3.123 -3.914 610 H MET 79 H MET 79 -5.038 2.235 -8.015 611 HA MET 79 HA MET 79 -4.376 -0.372 -6.958 612 HB2 MET 79 1HB MET 79 -6.714 -1.182 -7.520 613 HB3 MET 79 2HB MET 79 -6.702 -0.014 -6.214 614 HG2 MET 79 1HG MET 79 -7.323 1.803 -7.784 615 HG3 MET 79 2HG MET 79 -7.237 0.696 -9.139 616 HE1 MET 79 1HE MET 79 -9.256 2.362 -6.643 617 HE2 MET 79 2HE MET 79 -9.926 2.470 -8.289 618 HE3 MET 79 3HE MET 79 -10.878 1.715 -6.988 619 H HIS 80 H HIS 80 -4.594 -2.117 -8.667 620 HA HIS 80 HA HIS 80 -4.604 -2.854 -10.776 621 HB2 HIS 80 1HB HIS 80 -4.591 -0.048 -11.883 622 HB3 HIS 80 2HB HIS 80 -5.099 -1.530 -12.668 623 HD1 HIS 80 1HD HIS 80 -6.976 0.946 -12.507 624 HD2 HIS 80 2HD HIS 80 -7.021 -2.245 -9.784 625 HE1 HIS 80 1HE HIS 80 -9.297 0.943 -11.447 626 H ARG 81 H ARG 81 -2.405 -1.407 -8.962 627 HA ARG 81 HA ARG 81 -0.242 -2.466 -9.996 628 HB2 ARG 81 1HB ARG 81 -1.020 -0.196 -11.689 629 HB3 ARG 81 2HB ARG 81 0.576 0.061 -11.013 630 HG2 ARG 81 1HG ARG 81 1.403 -2.031 -11.926 631 HG3 ARG 81 2HG ARG 81 -0.212 -2.565 -12.347 632 HD2 ARG 81 1HD ARG 81 -0.173 -1.440 -14.331 633 HD3 ARG 81 2HD ARG 81 0.376 0.040 -13.569 634 HE ARG 81 HE ARG 81 2.499 -1.949 -13.730 635 HH11 ARG 81 2HH2 ARG 81 0.793 0.534 -15.548 636 HH12 ARG 81 1HH2 ARG 81 2.108 0.819 -16.639 637 HH21 ARG 81 2HH1 ARG 81 4.235 -1.573 -15.169 638 HH22 ARG 81 1HH1 ARG 81 4.079 -0.387 -16.421 639 H VAL 82 H VAL 82 1.828 -0.545 -9.654 640 HA VAL 82 HA VAL 82 1.159 0.669 -7.066 641 HB VAL 82 HB VAL 82 3.744 -0.744 -7.738 642 HG11 VAL 82 1HG1 VAL 82 4.533 0.039 -5.798 643 HG12 VAL 82 2HG1 VAL 82 3.122 1.123 -5.749 644 HG13 VAL 82 3HG1 VAL 82 3.063 -0.453 -4.923 645 HG21 VAL 82 1HG2 VAL 82 1.167 -1.798 -6.733 646 HG22 VAL 82 2HG2 VAL 82 2.516 -2.632 -7.541 647 HG23 VAL 82 3HG2 VAL 82 2.603 -2.280 -5.798 648 H ASN 83 H ASN 83 0.800 2.631 -8.356 649 HA ASN 83 HA ASN 83 2.867 3.632 -9.956 650 HB2 ASN 83 1HB ASN 83 0.226 4.546 -8.930 651 HB3 ASN 83 2HB ASN 83 1.366 5.856 -9.164 652 HD21 ASN 83 1HD2 ASN 83 1.548 6.696 -11.097 653 HD22 ASN 83 2HD2 ASN 83 1.048 5.988 -12.597 654 H THR 84 H THR 84 4.694 3.323 -8.335 655 HA THR 84 HA THR 84 4.943 4.311 -5.857 656 HB THR 84 HB THR 84 7.399 4.827 -6.702 657 HG1 THR 84 1HG THR 84 7.605 3.891 -8.900 658 HG21 THR 84 1HG2 THR 84 6.660 2.594 -5.713 659 HG22 THR 84 2HG2 THR 84 6.200 2.086 -7.356 660 HG23 THR 84 3HG2 THR 84 7.903 2.442 -6.978 661 H SER 85 H SER 85 5.388 6.297 -8.855 662 HA SER 85 HA SER 85 6.098 8.616 -7.807 663 HB2 SER 85 1HB SER 85 5.123 7.809 -10.238 664 HB3 SER 85 2HB SER 85 3.810 8.845 -9.713 665 HG SER 85 HG SER 85 6.238 10.053 -9.205 666 H LYS 86 H LYS 86 2.764 7.229 -7.786 667 HA LYS 86 HA LYS 86 1.590 9.505 -6.579 668 HB2 LYS 86 1HB LYS 86 0.652 7.307 -7.890 669 HB3 LYS 86 2HB LYS 86 0.294 6.864 -6.233 670 HG2 LYS 86 1HG LYS 86 -0.400 9.644 -7.230 671 HG3 LYS 86 2HG LYS 86 -1.452 8.295 -7.614 672 HD2 LYS 86 1HD LYS 86 -0.930 7.973 -4.863 673 HD3 LYS 86 2HD LYS 86 -1.089 9.708 -5.056 674 HE2 LYS 86 1HE LYS 86 -3.125 7.876 -6.356 675 HE3 LYS 86 2HE LYS 86 -3.245 8.212 -4.641 676 HZ1 LYS 86 1HZ LYS 86 -3.437 10.496 -5.080 677 HZ2 LYS 86 2HZ LYS 86 -3.025 10.336 -6.652 678 HZ3 LYS 86 3HZ LYS 86 -4.458 9.761 -6.121 679 H LEU 87 H LEU 87 2.324 6.191 -5.263 680 HA LEU 87 HA LEU 87 1.737 6.576 -2.681 681 HB2 LEU 87 1HB LEU 87 2.429 4.463 -3.259 682 HB3 LEU 87 2HB LEU 87 3.873 5.027 -4.077 683 HG LEU 87 HG LEU 87 4.845 5.613 -1.836 684 HD11 LEU 87 1HD1 LEU 87 2.517 5.689 -0.745 685 HD12 LEU 87 2HD1 LEU 87 2.671 3.920 -0.616 686 HD13 LEU 87 3HD1 LEU 87 3.859 4.978 0.183 687 HD21 LEU 87 1HD2 LEU 87 5.164 3.419 -3.161 688 HD22 LEU 87 2HD2 LEU 87 5.671 3.472 -1.455 689 HD23 LEU 87 3HD2 LEU 87 4.137 2.688 -1.904 690 H GLU 88 H GLU 88 5.103 7.143 -3.940 691 HA GLU 88 HA GLU 88 6.134 8.301 -1.774 692 HB2 GLU 88 1HB GLU 88 6.634 9.411 -4.563 693 HB3 GLU 88 2HB GLU 88 7.763 9.344 -3.224 694 HG2 GLU 88 1HG GLU 88 7.046 6.674 -3.475 695 HG3 GLU 88 2HG GLU 88 6.975 7.211 -5.141 696 H LYS 89 H LYS 89 4.425 10.100 -4.438 697 HA LYS 89 HA LYS 89 4.565 12.611 -3.419 698 HB2 LYS 89 1HB LYS 89 3.513 11.649 -5.608 699 HB3 LYS 89 2HB LYS 89 2.025 11.607 -4.685 700 HG2 LYS 89 1HG LYS 89 3.775 14.093 -4.982 701 HG3 LYS 89 2HG LYS 89 2.376 13.756 -5.983 702 HD2 LYS 89 1HD LYS 89 1.202 13.451 -3.560 703 HD3 LYS 89 2HD LYS 89 2.494 14.532 -3.078 704 HE2 LYS 89 1HE LYS 89 1.498 15.655 -5.479 705 HE3 LYS 89 2HE LYS 89 0.067 15.117 -4.624 706 HZ1 LYS 89 1HZ LYS 89 1.092 17.401 -4.113 707 HZ2 LYS 89 2HZ LYS 89 0.507 16.498 -2.885 708 HZ3 LYS 89 3HZ LYS 89 2.117 16.566 -3.154 709 H GLN 90 H GLN 90 2.282 9.974 -2.508 710 HA GLN 90 HA GLN 90 0.819 11.614 -0.765 711 HB2 GLN 90 1HB GLN 90 1.093 8.586 -0.977 712 HB3 GLN 90 2HB GLN 90 -0.034 9.372 0.109 713 HG2 GLN 90 1HG GLN 90 0.027 9.676 -2.930 714 HG3 GLN 90 2HG GLN 90 -1.150 8.756 -2.015 715 HE21 GLN 90 1HE2 GLN 90 -0.028 11.890 -2.967 716 HE22 GLN 90 2HE2 GLN 90 -1.360 12.833 -2.388 717 H LEU 91 H LEU 91 3.309 9.022 -0.188 718 HA LEU 91 HA LEU 91 3.495 9.040 2.474 719 HB2 LEU 91 1HB LEU 91 5.561 8.842 0.318 720 HB3 LEU 91 2HB LEU 91 6.067 8.840 1.995 721 HG LEU 91 HG LEU 91 3.985 6.915 0.954 722 HD11 LEU 91 1HD1 LEU 91 5.967 6.612 -0.421 723 HD12 LEU 91 2HD1 LEU 91 6.987 6.506 1.034 724 HD13 LEU 91 3HD1 LEU 91 5.773 5.246 0.705 725 HD21 LEU 91 1HD2 LEU 91 3.893 6.175 3.042 726 HD22 LEU 91 2HD2 LEU 91 5.656 5.930 3.076 727 HD23 LEU 91 3HD2 LEU 91 4.967 7.507 3.531 728 H ARG 92 H ARG 92 5.364 11.348 0.371 729 HA ARG 92 HA ARG 92 6.548 12.812 2.203 730 HB2 ARG 92 1HB ARG 92 5.086 13.696 -0.319 731 HB3 ARG 92 2HB ARG 92 5.987 14.854 0.640 732 HG2 ARG 92 1HG ARG 92 8.048 13.479 0.401 733 HG3 ARG 92 2HG ARG 92 7.157 12.275 -0.508 734 HD2 ARG 92 1HD ARG 92 6.693 13.903 -2.306 735 HD3 ARG 92 2HD ARG 92 7.429 15.193 -1.375 736 HE ARG 92 HE ARG 92 9.403 13.201 -1.565 737 HH11 ARG 92 2HH2 ARG 92 7.551 15.181 -3.809 738 HH12 ARG 92 1HH2 ARG 92 8.788 15.190 -5.021 739 HH21 ARG 92 2HH1 ARG 92 11.035 13.213 -3.164 740 HH22 ARG 92 1HH1 ARG 92 10.783 14.062 -4.652 741 H LYS 93 H LYS 93 3.151 13.447 1.042 742 HA LYS 93 HA LYS 93 2.725 14.967 3.516 743 HB2 LYS 93 1HB LYS 93 1.704 15.263 0.717 744 HB3 LYS 93 2HB LYS 93 0.661 15.749 2.038 745 HG2 LYS 93 1HG LYS 93 3.291 16.754 2.626 746 HG3 LYS 93 2HG LYS 93 2.958 17.137 0.949 747 HD2 LYS 93 1HD LYS 93 0.533 17.740 2.220 748 HD3 LYS 93 2HD LYS 93 1.728 18.233 3.404 749 HE2 LYS 93 1HE LYS 93 2.907 19.571 1.621 750 HE3 LYS 93 2HE LYS 93 1.661 19.113 0.477 751 HZ1 LYS 93 1HZ LYS 93 0.128 20.393 1.534 752 HZ2 LYS 93 2HZ LYS 93 0.858 20.324 2.993 753 HZ3 LYS 93 3HZ LYS 93 1.465 21.285 1.821 754 H LEU 94 H LEU 94 2.187 13.308 4.945 755 HA LEU 94 HA LEU 94 -0.463 12.341 4.718 756 HB2 LEU 94 1HB LEU 94 0.984 10.841 3.173 757 HB3 LEU 94 2HB LEU 94 1.594 10.155 4.666 758 HG LEU 94 HG LEU 94 -0.692 9.512 5.321 759 HD11 LEU 94 1HD1 LEU 94 -1.420 11.297 3.173 760 HD12 LEU 94 2HD1 LEU 94 -2.137 9.688 2.919 761 HD13 LEU 94 3HD1 LEU 94 -2.435 10.565 4.439 762 HD21 LEU 94 1HD2 LEU 94 0.479 8.539 2.733 763 HD22 LEU 94 2HD2 LEU 94 0.415 7.746 4.325 764 HD23 LEU 94 3HD2 LEU 94 -1.057 7.869 3.333 765 H SER 95 H SER 95 2.710 11.320 6.181 766 HA SER 95 HA SER 95 3.362 11.162 8.244 767 HB2 SER 95 1HB SER 95 1.689 13.529 8.241 768 HB3 SER 95 2HB SER 95 1.509 12.714 9.782 769 HG SER 95 HG SER 95 4.155 12.986 8.766 770 H GLY 96 H GLY 96 3.034 9.713 9.987 771 HA2 GLY 96 1HA GLY 96 0.512 8.243 9.892 772 HA3 GLY 96 2HA GLY 96 2.008 7.751 10.660 773 HA PRO 97 HA PRO 97 -0.878 10.036 13.602 774 HB2 PRO 97 1HB PRO 97 -2.871 8.275 14.232 775 HB3 PRO 97 2HB PRO 97 -3.072 9.578 13.078 776 HG2 PRO 97 1HG PRO 97 -2.743 6.685 12.568 777 HG3 PRO 97 2HG PRO 97 -3.360 7.926 11.495 778 HD2 PRO 97 1HD PRO 97 -0.759 6.721 11.408 779 HD3 PRO 97 2HD PRO 97 -1.336 8.042 10.411 780 H SER 98 H SER 98 -1.339 9.581 15.971 781 HA SER 98 HA SER 98 0.882 7.975 16.800 782 HB2 SER 98 1HB SER 98 0.543 8.956 18.981 783 HB3 SER 98 2HB SER 98 0.351 10.234 17.797 784 HG SER 98 HG SER 98 -1.826 8.751 19.010 785 H SER 99 H SER 99 0.422 5.771 16.659 786 HA SER 99 HA SER 99 -2.036 4.942 17.995 787 HB2 SER 99 1HB SER 99 -0.519 3.652 15.688 788 HB3 SER 99 2HB SER 99 -1.807 2.840 16.556 789 HG SER 99 HG SER 99 -2.631 5.359 15.811 790 H GLY 100 H GLY 100 -1.163 4.677 20.098 791 HA2 GLY 100 1HA GLY 100 -0.241 2.417 21.050 792 HA3 GLY 100 2HA GLY 100 1.253 3.046 20.384 Start of MODEL 5 1 H1 GLY 1 H GLY 1 47.095 20.114 12.154 2 HA2 GLY 1 1HA GLY 1 45.233 21.890 13.419 3 HA3 GLY 1 2HA GLY 1 46.061 22.643 12.071 4 H SER 2 H SER 2 43.818 20.073 13.070 5 HA SER 2 HA SER 2 42.447 20.187 10.678 6 HB2 SER 2 1HB SER 2 44.362 19.002 9.695 7 HB3 SER 2 2HB SER 2 44.297 17.778 10.947 8 HG SER 2 HG SER 2 42.777 18.029 8.620 9 H SER 3 H SER 3 40.398 19.748 11.400 10 HA SER 3 HA SER 3 39.782 17.357 12.671 11 HB2 SER 3 1HB SER 3 39.016 18.331 14.888 12 HB3 SER 3 2HB SER 3 40.754 18.227 14.690 13 HG SER 3 HG SER 3 39.856 20.641 13.723 14 H GLY 4 H GLY 4 37.365 17.392 13.402 15 HA2 GLY 4 1HA GLY 4 35.597 19.425 12.977 16 HA3 GLY 4 2HA GLY 4 35.864 18.765 11.376 17 H SER 5 H SER 5 33.779 18.610 13.912 18 HA SER 5 HA SER 5 32.399 16.472 13.009 19 HB2 SER 5 1HB SER 5 34.701 15.523 14.343 20 HB3 SER 5 2HB SER 5 33.408 15.317 15.508 21 HG SER 5 HG SER 5 33.408 13.447 14.271 22 H SER 6 H SER 6 30.358 16.608 13.949 23 HA SER 6 HA SER 6 29.990 17.184 16.647 24 HB2 SER 6 1HB SER 6 30.364 19.499 14.941 25 HB3 SER 6 2HB SER 6 28.710 19.484 15.522 26 HG SER 6 HG SER 6 30.195 20.599 16.975 27 H GLY 7 H GLY 7 27.683 17.106 17.216 28 HA2 GLY 7 1HA GLY 7 25.718 16.903 15.118 29 HA3 GLY 7 2HA GLY 7 26.139 15.358 15.831 30 H ASN 8 H ASN 8 23.545 16.728 15.993 31 HA ASN 8 HA ASN 8 23.435 16.881 18.888 32 HB2 ASN 8 1HB ASN 8 22.844 19.045 16.983 33 HB3 ASN 8 2HB ASN 8 21.424 18.655 17.934 34 HD21 ASN 8 1HD2 ASN 8 22.831 21.072 18.065 35 HD22 ASN 8 2HD2 ASN 8 23.522 21.259 19.642 36 H LEU 9 H LEU 9 21.064 16.560 19.648 37 HA LEU 9 HA LEU 9 19.763 14.692 17.814 38 HB2 LEU 9 1HB LEU 9 19.687 15.068 20.801 39 HB3 LEU 9 2HB LEU 9 18.503 14.091 19.955 40 HG LEU 9 HG LEU 9 20.584 12.966 21.028 41 HD11 LEU 9 1HD1 LEU 9 20.334 11.973 18.256 42 HD12 LEU 9 2HD1 LEU 9 20.087 11.141 19.810 43 HD13 LEU 9 3HD1 LEU 9 18.804 12.179 19.143 44 HD21 LEU 9 1HD2 LEU 9 21.788 13.974 18.436 45 HD22 LEU 9 2HD2 LEU 9 22.293 14.400 20.089 46 HD23 LEU 9 3HD2 LEU 9 22.506 12.736 19.495 47 H SER 10 H SER 10 18.310 15.669 16.498 48 HA SER 10 HA SER 10 16.953 18.001 17.460 49 HB2 SER 10 1HB SER 10 17.603 16.826 14.886 50 HB3 SER 10 2HB SER 10 15.883 17.153 14.947 51 HG SER 10 HG SER 10 18.081 18.981 15.171 52 H ALA 11 H ALA 11 14.499 18.166 17.209 53 HA ALA 11 HA ALA 11 13.309 15.897 18.488 54 HB1 ALA 11 1HB ALA 11 12.425 18.669 17.662 55 HB2 ALA 11 2HB ALA 11 11.242 17.466 18.229 56 HB3 ALA 11 3HB ALA 11 12.571 17.977 19.296 57 H SER 12 H SER 12 11.299 14.848 17.670 58 HA SER 12 HA SER 12 10.416 15.135 15.095 59 HB2 SER 12 1HB SER 12 12.904 14.122 14.860 60 HB3 SER 12 2HB SER 12 12.056 12.614 15.141 61 HG SER 12 HG SER 12 11.924 14.384 12.928 62 H ASN 13 H ASN 13 9.110 13.029 14.404 63 HA ASN 13 HA ASN 13 8.173 11.815 16.885 64 HB2 ASN 13 1HB ASN 13 6.721 12.777 14.397 65 HB3 ASN 13 2HB ASN 13 6.018 11.474 15.334 66 HD21 ASN 13 1HD2 ASN 13 4.786 13.922 14.991 67 HD22 ASN 13 2HD2 ASN 13 4.687 14.764 16.502 68 H ARG 14 H ARG 14 6.932 9.602 16.287 69 HA ARG 14 HA ARG 14 8.280 8.330 14.061 70 HB2 ARG 14 1HB ARG 14 9.246 7.916 16.561 71 HB3 ARG 14 2HB ARG 14 7.951 6.737 16.603 72 HG2 ARG 14 1HG ARG 14 8.917 5.992 14.244 73 HG3 ARG 14 2HG ARG 14 10.363 6.830 14.772 74 HD2 ARG 14 1HD ARG 14 10.708 4.596 15.511 75 HD3 ARG 14 2HD ARG 14 10.184 5.432 16.959 76 HE ARG 14 HE ARG 14 7.824 4.490 15.759 77 HH11 ARG 14 2HH2 ARG 14 10.785 3.070 17.023 78 HH12 ARG 14 1HH2 ARG 14 10.030 1.576 17.468 79 HH21 ARG 14 2HH1 ARG 14 6.827 2.519 16.346 80 HH22 ARG 14 1HH1 ARG 14 7.763 1.261 17.080 81 H ALA 15 H ALA 15 6.340 8.180 12.849 82 HA ALA 15 HA ALA 15 4.561 6.103 13.622 83 HB1 ALA 15 1HB ALA 15 3.416 8.919 13.488 84 HB2 ALA 15 2HB ALA 15 2.535 7.412 13.837 85 HB3 ALA 15 3HB ALA 15 3.725 8.037 15.003 86 H LEU 16 H LEU 16 4.307 5.057 11.719 87 HA LEU 16 HA LEU 16 4.339 6.705 9.293 88 HB2 LEU 16 1HB LEU 16 4.883 3.748 9.507 89 HB3 LEU 16 2HB LEU 16 5.150 4.792 8.125 90 HG LEU 16 HG LEU 16 6.640 5.007 10.756 91 HD11 LEU 16 1HD1 LEU 16 6.957 3.145 8.595 92 HD12 LEU 16 2HD1 LEU 16 8.370 4.225 8.661 93 HD13 LEU 16 3HD1 LEU 16 7.891 3.298 10.103 94 HD21 LEU 16 1HD2 LEU 16 6.973 7.091 9.947 95 HD22 LEU 16 2HD2 LEU 16 8.210 6.264 8.970 96 HD23 LEU 16 3HD2 LEU 16 6.614 6.622 8.268 97 HA PRO 17 HA PRO 17 0.271 5.524 8.479 98 HB2 PRO 17 1HB PRO 17 0.172 5.552 5.748 99 HB3 PRO 17 2HB PRO 17 0.096 7.005 6.725 100 HG2 PRO 17 1HG PRO 17 2.354 5.962 5.126 101 HG3 PRO 17 2HG PRO 17 2.105 7.582 5.748 102 HD2 PRO 17 1HD PRO 17 3.877 5.590 6.806 103 HD3 PRO 17 2HD PRO 17 3.541 7.167 7.494 104 H VAL 18 H VAL 18 -1.274 3.933 7.648 105 HA VAL 18 HA VAL 18 0.163 1.391 7.406 106 HB VAL 18 HB VAL 18 -2.626 2.098 8.329 107 HG11 VAL 18 1HG1 VAL 18 -1.378 -0.662 8.100 108 HG12 VAL 18 2HG1 VAL 18 -2.990 -0.273 8.747 109 HG13 VAL 18 3HG1 VAL 18 -2.635 -0.008 7.023 110 HG21 VAL 18 1HG2 VAL 18 -1.337 2.503 10.177 111 HG22 VAL 18 2HG2 VAL 18 -1.581 0.752 10.380 112 HG23 VAL 18 3HG2 VAL 18 -0.063 1.364 9.681 113 H LEU 19 H LEU 19 0.431 0.733 5.337 114 HA LEU 19 HA LEU 19 -1.535 1.596 3.372 115 HB2 LEU 19 1HB LEU 19 0.846 1.973 2.945 116 HB3 LEU 19 2HB LEU 19 1.154 0.252 3.065 117 HG LEU 19 HG LEU 19 -0.676 0.152 1.125 118 HD11 LEU 19 1HD1 LEU 19 0.636 2.794 0.494 119 HD12 LEU 19 2HD1 LEU 19 -0.732 1.996 -0.321 120 HD13 LEU 19 3HD1 LEU 19 -0.945 2.690 1.305 121 HD21 LEU 19 1HD2 LEU 19 1.772 0.938 -0.159 122 HD22 LEU 19 2HD2 LEU 19 2.137 -0.010 1.302 123 HD23 LEU 19 3HD2 LEU 19 1.071 -0.685 0.047 124 H THR 20 H THR 20 -3.299 0.335 3.128 125 HA THR 20 HA THR 20 -3.196 -2.438 3.898 126 HB THR 20 HB THR 20 -5.515 -1.115 2.469 127 HG1 THR 20 1HG THR 20 -4.444 -0.666 5.167 128 HG21 THR 20 1HG2 THR 20 -6.617 -2.138 4.634 129 HG22 THR 20 2HG2 THR 20 -6.115 -3.253 3.341 130 HG23 THR 20 3HG2 THR 20 -5.093 -3.046 4.784 131 H LEU 21 H LEU 21 -2.081 -3.809 2.626 132 HA LEU 21 HA LEU 21 -2.383 -3.480 -0.261 133 HB2 LEU 21 1HB LEU 21 -0.147 -3.594 0.151 134 HB3 LEU 21 2HB LEU 21 -0.328 -4.643 1.543 135 HG LEU 21 HG LEU 21 -0.679 -6.574 0.135 136 HD11 LEU 21 1HD1 LEU 21 -0.285 -6.157 -2.431 137 HD12 LEU 21 2HD1 LEU 21 -1.903 -5.979 -1.711 138 HD13 LEU 21 3HD1 LEU 21 -0.914 -4.537 -2.046 139 HD21 LEU 21 1HD2 LEU 21 1.507 -6.876 -0.202 140 HD22 LEU 21 2HD2 LEU 21 1.610 -5.529 -1.361 141 HD23 LEU 21 3HD2 LEU 21 1.700 -5.207 0.387 142 H PHE 22 H PHE 22 -3.843 -4.692 -1.331 143 HA PHE 22 HA PHE 22 -4.758 -7.128 0.021 144 HB2 PHE 22 1HB PHE 22 -5.964 -5.152 -1.996 145 HB3 PHE 22 2HB PHE 22 -6.731 -6.692 -1.664 146 HD1 PHE 22 2HD PHE 22 -7.367 -7.180 0.788 147 HD2 PHE 22 1HD PHE 22 -6.423 -3.301 -0.650 148 HE1 PHE 22 2HE PHE 22 -8.564 -6.163 2.746 149 HE2 PHE 22 1HE PHE 22 -7.620 -2.284 1.307 150 HZ PHE 22 HZ PHE 22 -8.676 -3.727 2.982 151 H THR 23 H THR 23 -3.477 -8.779 -0.777 152 HA THR 23 HA THR 23 -3.193 -8.900 -3.705 153 HB THR 23 HB THR 23 -1.010 -8.867 -2.784 154 HG1 THR 23 1HG THR 23 -0.476 -11.251 -2.791 155 HG21 THR 23 1HG2 THR 23 -2.169 -10.605 -0.548 156 HG22 THR 23 2HG2 THR 23 -0.421 -10.367 -0.789 157 HG23 THR 23 3HG2 THR 23 -1.462 -8.980 -0.386 158 H LYS 24 H LYS 24 -3.159 -11.163 -4.627 159 HA LYS 24 HA LYS 24 -4.572 -13.149 -3.140 160 HB2 LYS 24 1HB LYS 24 -6.575 -13.234 -4.498 161 HB3 LYS 24 2HB LYS 24 -6.444 -11.666 -3.726 162 HG2 LYS 24 1HG LYS 24 -6.133 -10.552 -5.719 163 HG3 LYS 24 2HG LYS 24 -5.145 -11.828 -6.403 164 HD2 LYS 24 1HD LYS 24 -8.189 -11.802 -6.173 165 HD3 LYS 24 2HD LYS 24 -7.249 -11.698 -7.649 166 HE2 LYS 24 1HE LYS 24 -6.232 -14.027 -6.732 167 HE3 LYS 24 2HE LYS 24 -7.768 -14.091 -5.891 168 HZ1 LYS 24 1HZ LYS 24 -8.530 -14.868 -7.802 169 HZ2 LYS 24 2HZ LYS 24 -8.456 -13.342 -8.378 170 HZ3 LYS 24 3HZ LYS 24 -7.231 -14.382 -8.665 171 H ALA 25 H ALA 25 -5.316 -14.906 -5.049 172 HA ALA 25 HA ALA 25 -3.272 -14.977 -7.100 173 HB1 ALA 25 1HB ALA 25 -2.314 -17.061 -6.380 174 HB2 ALA 25 2HB ALA 25 -2.270 -15.960 -4.983 175 HB3 ALA 25 3HB ALA 25 -3.511 -17.232 -5.074 176 HA PRO 26 HA PRO 26 -2.692 -16.383 -8.404 177 HB2 PRO 26 1HB PRO 26 -2.944 -16.465 -11.124 178 HB3 PRO 26 2HB PRO 26 -2.678 -17.892 -10.143 179 HG2 PRO 26 1HG PRO 26 -5.167 -16.981 -11.453 180 HG3 PRO 26 2HG PRO 26 -4.767 -18.575 -10.843 181 HD2 PRO 26 1HD PRO 26 -6.477 -16.639 -9.595 182 HD3 PRO 26 2HD PRO 26 -5.985 -18.184 -8.932 183 H CYS 27 H CYS 27 -1.418 -14.609 -8.747 184 HA CYS 27 HA CYS 27 -2.525 -12.461 -10.251 185 HB2 CYS 27 1HB CYS 27 -3.669 -12.270 -7.972 186 HB3 CYS 27 2HB CYS 27 -2.093 -11.891 -7.308 187 HG CYS 27 HG CYS 27 -3.389 -10.421 -9.973 188 HA PRO 28 HA PRO 28 1.922 -12.565 -10.333 189 HB2 PRO 28 1HB PRO 28 2.215 -11.525 -12.843 190 HB3 PRO 28 2HB PRO 28 2.033 -13.240 -12.532 191 HG2 PRO 28 1HG PRO 28 0.051 -11.331 -13.613 192 HG3 PRO 28 2HG PRO 28 0.044 -13.082 -13.690 193 HD2 PRO 28 1HD PRO 28 -1.532 -11.435 -11.949 194 HD3 PRO 28 2HD PRO 28 -1.452 -13.185 -11.947 195 H LEU 29 H LEU 29 -0.270 -9.994 -10.530 196 HA LEU 29 HA LEU 29 1.754 -7.969 -10.571 197 HB2 LEU 29 1HB LEU 29 -1.223 -7.909 -10.074 198 HB3 LEU 29 2HB LEU 29 -0.207 -6.481 -10.081 199 HG LEU 29 HG LEU 29 0.310 -6.743 -12.405 200 HD11 LEU 29 1HD1 LEU 29 -1.079 -9.425 -12.206 201 HD12 LEU 29 2HD1 LEU 29 -0.658 -8.630 -13.743 202 HD13 LEU 29 3HD1 LEU 29 0.626 -9.099 -12.602 203 HD21 LEU 29 1HD2 LEU 29 -2.051 -6.807 -13.399 204 HD22 LEU 29 2HD2 LEU 29 -2.612 -7.057 -11.728 205 HD23 LEU 29 3HD2 LEU 29 -1.709 -5.583 -12.152 206 H CYS 30 H CYS 30 -0.543 -9.312 -8.102 207 HA CYS 30 HA CYS 30 0.072 -7.826 -5.975 208 HB2 CYS 30 1HB CYS 30 -0.682 -9.578 -4.601 209 HB3 CYS 30 2HB CYS 30 -1.498 -9.836 -6.130 210 HG CYS 30 HG CYS 30 0.533 -11.613 -4.473 211 H ASP 31 H ASP 31 2.047 -10.431 -7.477 212 HA ASP 31 HA ASP 31 3.952 -10.561 -5.464 213 HB2 ASP 31 1HB ASP 31 3.567 -11.561 -8.187 214 HB3 ASP 31 2HB ASP 31 5.239 -11.096 -7.948 215 H GLU 32 H GLU 32 4.104 -9.038 -8.783 216 HA GLU 32 HA GLU 32 6.478 -7.749 -8.440 217 HB2 GLU 32 1HB GLU 32 4.560 -7.936 -10.435 218 HB3 GLU 32 2HB GLU 32 4.481 -6.234 -10.025 219 HG2 GLU 32 1HG GLU 32 6.333 -5.912 -11.293 220 HG3 GLU 32 2HG GLU 32 7.249 -6.798 -10.090 221 H ALA 33 H ALA 33 3.127 -6.453 -7.890 222 HA ALA 33 HA ALA 33 3.603 -3.924 -7.194 223 HB1 ALA 33 1HB ALA 33 1.420 -4.178 -6.733 224 HB2 ALA 33 2HB ALA 33 1.617 -5.943 -6.625 225 HB3 ALA 33 3HB ALA 33 1.863 -4.931 -5.182 226 H LYS 34 H LYS 34 3.676 -6.622 -4.749 227 HA LYS 34 HA LYS 34 4.645 -5.211 -2.649 228 HB2 LYS 34 1HB LYS 34 5.225 -8.071 -3.468 229 HB3 LYS 34 2HB LYS 34 5.631 -7.403 -1.900 230 HG2 LYS 34 1HG LYS 34 3.408 -7.254 -1.220 231 HG3 LYS 34 2HG LYS 34 2.812 -6.979 -2.845 232 HD2 LYS 34 1HD LYS 34 2.136 -9.160 -2.753 233 HD3 LYS 34 2HD LYS 34 3.813 -9.536 -3.100 234 HE2 LYS 34 1HE LYS 34 2.773 -9.174 -0.254 235 HE3 LYS 34 2HE LYS 34 2.777 -10.729 -1.063 236 HZ1 LYS 34 1HZ LYS 34 5.226 -10.169 -1.481 237 HZ2 LYS 34 2HZ LYS 34 5.053 -9.100 -0.259 238 HZ3 LYS 34 3HZ LYS 34 4.782 -10.689 0.002 239 H GLU 35 H GLU 35 6.618 -6.878 -5.202 240 HA GLU 35 HA GLU 35 9.060 -6.189 -4.229 241 HB2 GLU 35 1HB GLU 35 8.399 -6.232 -7.197 242 HB3 GLU 35 2HB GLU 35 9.913 -6.671 -6.432 243 HG2 GLU 35 1HG GLU 35 8.086 -8.352 -5.152 244 HG3 GLU 35 2HG GLU 35 7.449 -8.276 -6.783 245 H VAL 36 H VAL 36 6.633 -4.185 -5.832 246 HA VAL 36 HA VAL 36 8.488 -2.088 -6.468 247 HB VAL 36 HB VAL 36 5.469 -2.024 -6.395 248 HG11 VAL 36 1HG1 VAL 36 7.199 -0.492 -8.315 249 HG12 VAL 36 2HG1 VAL 36 5.572 -0.116 -7.697 250 HG13 VAL 36 3HG1 VAL 36 6.995 0.102 -6.650 251 HG21 VAL 36 1HG2 VAL 36 6.953 -3.810 -7.884 252 HG22 VAL 36 2HG2 VAL 36 5.317 -3.233 -8.283 253 HG23 VAL 36 3HG2 VAL 36 6.739 -2.449 -9.011 254 H LEU 37 H LEU 37 6.630 -3.167 -3.706 255 HA LEU 37 HA LEU 37 6.860 -0.538 -2.459 256 HB2 LEU 37 1HB LEU 37 5.386 -3.048 -1.657 257 HB3 LEU 37 2HB LEU 37 5.463 -1.595 -0.681 258 HG LEU 37 HG LEU 37 4.031 -2.059 -3.281 259 HD11 LEU 37 1HD1 LEU 37 3.264 -0.971 -0.566 260 HD12 LEU 37 2HD1 LEU 37 2.206 -0.878 -1.995 261 HD13 LEU 37 3HD1 LEU 37 2.705 -2.464 -1.358 262 HD21 LEU 37 1HD2 LEU 37 5.326 -0.066 -3.725 263 HD22 LEU 37 2HD2 LEU 37 3.621 0.374 -3.464 264 HD23 LEU 37 3HD2 LEU 37 4.818 0.651 -2.177 265 H GLN 38 H GLN 38 9.069 -2.655 -3.124 266 HA GLN 38 HA GLN 38 9.911 -3.685 -0.685 267 HB2 GLN 38 1HB GLN 38 10.944 -3.445 -3.428 268 HB3 GLN 38 2HB GLN 38 12.225 -3.327 -2.238 269 HG2 GLN 38 1HG GLN 38 10.617 -5.435 -1.282 270 HG3 GLN 38 2HG GLN 38 10.615 -5.666 -3.019 271 HE21 GLN 38 1HE2 GLN 38 13.154 -4.454 -3.526 272 HE22 GLN 38 2HE2 GLN 38 14.395 -5.520 -2.960 273 HA PRO 39 HA PRO 39 12.562 0.248 -0.474 274 HB2 PRO 39 1HB PRO 39 12.064 2.318 -2.187 275 HB3 PRO 39 2HB PRO 39 13.309 1.118 -2.471 276 HG2 PRO 39 1HG PRO 39 10.669 1.393 -3.772 277 HG3 PRO 39 2HG PRO 39 12.072 0.494 -4.315 278 HD2 PRO 39 1HD PRO 39 9.703 -0.585 -3.109 279 HD3 PRO 39 2HD PRO 39 11.153 -1.468 -3.545 280 H TYR 40 H TYR 40 9.338 -0.097 -0.463 281 HA TYR 40 HA TYR 40 9.071 2.276 1.256 282 HB2 TYR 40 1HB TYR 40 7.015 0.875 -0.564 283 HB3 TYR 40 2HB TYR 40 6.714 2.337 0.354 284 HD1 TYR 40 2HD TYR 40 7.780 4.487 -0.324 285 HD2 TYR 40 1HD TYR 40 8.169 0.938 -2.681 286 HE1 TYR 40 2HE TYR 40 8.532 5.881 -2.312 287 HE2 TYR 40 1HE TYR 40 8.920 2.344 -4.662 288 HH TYR 40 HH TYR 40 10.023 5.363 -4.411 289 H LYS 41 H LYS 41 9.863 -0.521 1.944 290 HA LYS 41 HA LYS 41 7.465 -1.573 3.190 291 HB2 LYS 41 1HB LYS 41 8.737 -3.529 3.615 292 HB3 LYS 41 2HB LYS 41 9.132 -3.021 1.985 293 HG2 LYS 41 1HG LYS 41 11.261 -2.136 2.650 294 HG3 LYS 41 2HG LYS 41 10.826 -2.127 4.347 295 HD2 LYS 41 1HD LYS 41 10.495 -4.807 3.711 296 HD3 LYS 41 2HD LYS 41 11.828 -4.365 2.664 297 HE2 LYS 41 1HE LYS 41 13.261 -3.866 4.448 298 HE3 LYS 41 2HE LYS 41 11.950 -3.424 5.524 299 HZ1 LYS 41 1HZ LYS 41 12.232 -6.183 4.613 300 HZ2 LYS 41 2HZ LYS 41 13.116 -5.635 5.871 301 HZ3 LYS 41 3HZ LYS 41 11.485 -5.621 5.951 302 H ASP 42 H ASP 42 9.963 0.681 3.859 303 HA ASP 42 HA ASP 42 9.574 0.255 6.714 304 HB2 ASP 42 1HB ASP 42 11.912 0.741 5.138 305 HB3 ASP 42 2HB ASP 42 11.638 2.207 6.058 306 H ARG 43 H ARG 43 8.835 2.209 3.962 307 HA ARG 43 HA ARG 43 8.745 4.701 5.261 308 HB2 ARG 43 1HB ARG 43 7.515 3.648 2.671 309 HB3 ARG 43 2HB ARG 43 7.313 5.311 3.187 310 HG2 ARG 43 1HG ARG 43 10.091 4.809 3.454 311 HG3 ARG 43 2HG ARG 43 9.642 4.027 1.951 312 HD2 ARG 43 1HD ARG 43 8.305 6.584 2.033 313 HD3 ARG 43 2HD ARG 43 9.982 6.850 2.466 314 HE ARG 43 HE ARG 43 8.977 6.075 -0.148 315 HH11 ARG 43 2HH2 ARG 43 11.750 5.786 1.999 316 HH12 ARG 43 1HH2 ARG 43 12.881 5.532 0.712 317 HH21 ARG 43 2HH1 ARG 43 10.469 5.741 -1.846 318 HH22 ARG 43 1HH1 ARG 43 12.147 5.507 -1.490 319 H PHE 44 H PHE 44 6.805 1.881 5.420 320 HA PHE 44 HA PHE 44 4.933 3.082 7.120 321 HB2 PHE 44 1HB PHE 44 2.940 2.638 5.534 322 HB3 PHE 44 2HB PHE 44 3.947 3.995 5.070 323 HD1 PHE 44 1HD PHE 44 3.745 0.309 4.476 324 HD2 PHE 44 2HD PHE 44 4.568 4.145 2.858 325 HE1 PHE 44 1HE PHE 44 4.085 -0.719 2.211 326 HE2 PHE 44 2HE PHE 44 4.908 3.117 0.593 327 HZ PHE 44 HZ PHE 44 4.663 0.697 0.297 328 H ILE 45 H ILE 45 2.939 1.415 7.397 329 HA ILE 45 HA ILE 45 4.241 -1.182 7.624 330 HB ILE 45 HB ILE 45 1.813 0.042 8.927 331 HG12 ILE 45 1HG1 ILE 45 4.167 -1.025 10.422 332 HG13 ILE 45 2HG1 ILE 45 4.375 0.485 9.558 333 HG21 ILE 45 1HG2 ILE 45 2.323 -2.723 8.433 334 HG22 ILE 45 2HG2 ILE 45 2.535 -2.411 10.172 335 HG23 ILE 45 3HG2 ILE 45 1.007 -1.973 9.370 336 HD11 ILE 45 1HD1 ILE 45 3.153 1.626 11.092 337 HD12 ILE 45 2HD1 ILE 45 1.819 0.452 10.992 338 HD13 ILE 45 3HD1 ILE 45 3.188 0.153 12.090 339 H LEU 46 H LEU 46 4.075 -2.306 5.729 340 HA LEU 46 HA LEU 46 1.800 -2.044 4.050 341 HB2 LEU 46 1HB LEU 46 4.081 -2.508 3.254 342 HB3 LEU 46 2HB LEU 46 4.041 -4.071 4.045 343 HG LEU 46 HG LEU 46 2.176 -4.768 2.583 344 HD11 LEU 46 1HD1 LEU 46 2.125 -3.060 0.453 345 HD12 LEU 46 2HD1 LEU 46 0.918 -3.105 1.761 346 HD13 LEU 46 3HD1 LEU 46 2.250 -1.926 1.820 347 HD21 LEU 46 1HD2 LEU 46 4.868 -4.563 1.954 348 HD22 LEU 46 2HD2 LEU 46 3.654 -5.560 1.116 349 HD23 LEU 46 3HD2 LEU 46 4.046 -3.934 0.507 350 H GLN 47 H GLN 47 -0.175 -2.743 4.681 351 HA GLN 47 HA GLN 47 -0.270 -5.113 6.334 352 HB2 GLN 47 1HB GLN 47 -1.584 -2.811 6.660 353 HB3 GLN 47 2HB GLN 47 -2.721 -3.541 5.543 354 HG2 GLN 47 1HG GLN 47 -2.716 -5.613 7.075 355 HG3 GLN 47 2HG GLN 47 -1.816 -4.656 8.234 356 HE21 GLN 47 1HE2 GLN 47 -3.007 -3.842 9.763 357 HE22 GLN 47 2HE2 GLN 47 -4.634 -3.259 9.641 358 H GLU 48 H GLU 48 -0.043 -6.926 5.030 359 HA GLU 48 HA GLU 48 -1.333 -6.974 2.487 360 HB2 GLU 48 1HB GLU 48 0.646 -8.611 3.963 361 HB3 GLU 48 2HB GLU 48 -0.444 -9.561 2.973 362 HG2 GLU 48 1HG GLU 48 0.420 -8.753 1.003 363 HG3 GLU 48 2HG GLU 48 0.574 -7.120 1.619 364 H VAL 49 H VAL 49 -3.517 -7.284 2.370 365 HA VAL 49 HA VAL 49 -4.724 -9.048 4.373 366 HB VAL 49 HB VAL 49 -5.871 -6.908 2.572 367 HG11 VAL 49 1HG1 VAL 49 -7.178 -9.058 4.170 368 HG12 VAL 49 2HG1 VAL 49 -7.895 -7.431 4.258 369 HG13 VAL 49 3HG1 VAL 49 -7.716 -8.241 2.683 370 HG21 VAL 49 1HG2 VAL 49 -5.128 -7.051 5.478 371 HG22 VAL 49 2HG2 VAL 49 -4.879 -5.741 4.299 372 HG23 VAL 49 3HG2 VAL 49 -6.499 -6.032 4.977 373 H ASP 50 H ASP 50 -5.388 -11.053 3.788 374 HA ASP 50 HA ASP 50 -5.070 -11.768 1.043 375 HB2 ASP 50 1HB ASP 50 -6.009 -13.378 3.464 376 HB3 ASP 50 2HB ASP 50 -5.671 -14.067 1.888 377 H ILE 51 H ILE 51 -6.806 -11.080 -0.264 378 HA ILE 51 HA ILE 51 -9.475 -11.057 0.803 379 HB ILE 51 HB ILE 51 -10.062 -10.175 -1.413 380 HG12 ILE 51 1HG1 ILE 51 -7.162 -10.060 -2.171 381 HG13 ILE 51 2HG1 ILE 51 -8.059 -11.535 -2.477 382 HG21 ILE 51 1HG2 ILE 51 -9.315 -8.066 -0.949 383 HG22 ILE 51 2HG2 ILE 51 -8.963 -8.862 0.604 384 HG23 ILE 51 3HG2 ILE 51 -7.659 -8.606 -0.582 385 HD11 ILE 51 1HD1 ILE 51 -9.805 -9.504 -3.344 386 HD12 ILE 51 2HD1 ILE 51 -8.194 -8.959 -3.871 387 HD13 ILE 51 3HD1 ILE 51 -8.806 -10.551 -4.380 388 H THR 52 H THR 52 -7.452 -13.487 -0.227 389 HA THR 52 HA THR 52 -9.370 -14.917 -1.847 390 HB THR 52 HB THR 52 -7.517 -16.645 -1.788 391 HG1 THR 52 1HG THR 52 -6.405 -16.332 0.123 392 HG21 THR 52 1HG2 THR 52 -7.213 -13.854 -2.718 393 HG22 THR 52 2HG2 THR 52 -5.651 -14.612 -2.324 394 HG23 THR 52 3HG2 THR 52 -6.729 -15.366 -3.524 395 H LEU 53 H LEU 53 -9.528 -14.102 1.275 396 HA LEU 53 HA LEU 53 -10.304 -16.788 2.153 397 HB2 LEU 53 1HB LEU 53 -9.625 -14.290 3.708 398 HB3 LEU 53 2HB LEU 53 -10.249 -15.761 4.429 399 HG LEU 53 HG LEU 53 -7.770 -15.444 4.608 400 HD11 LEU 53 1HD1 LEU 53 -9.207 -17.831 3.715 401 HD12 LEU 53 2HD1 LEU 53 -7.460 -17.892 3.378 402 HD13 LEU 53 3HD1 LEU 53 -8.037 -17.617 5.039 403 HD21 LEU 53 1HD2 LEU 53 -7.653 -16.167 1.677 404 HD22 LEU 53 2HD2 LEU 53 -7.560 -14.489 2.264 405 HD23 LEU 53 3HD2 LEU 53 -6.326 -15.674 2.756 406 HA PRO 54 HA PRO 54 -14.455 -15.612 2.170 407 HB2 PRO 54 1HB PRO 54 -15.500 -17.062 4.238 408 HB3 PRO 54 2HB PRO 54 -15.158 -17.749 2.662 409 HG2 PRO 54 1HG PRO 54 -13.656 -18.067 5.188 410 HG3 PRO 54 2HG PRO 54 -13.591 -19.054 3.741 411 HD2 PRO 54 1HD PRO 54 -11.661 -17.102 4.576 412 HD3 PRO 54 2HD PRO 54 -11.657 -18.005 3.074 413 H GLU 55 H GLU 55 -12.714 -15.167 5.121 414 HA GLU 55 HA GLU 55 -14.694 -13.659 6.378 415 HB2 GLU 55 1HB GLU 55 -12.765 -12.862 7.818 416 HB3 GLU 55 2HB GLU 55 -12.918 -14.604 7.701 417 HG2 GLU 55 1HG GLU 55 -11.095 -14.764 6.125 418 HG3 GLU 55 2HG GLU 55 -11.095 -13.036 5.831 419 H ASN 56 H ASN 56 -12.024 -12.856 4.117 420 HA ASN 56 HA ASN 56 -12.757 -10.064 4.326 421 HB2 ASN 56 1HB ASN 56 -10.531 -11.284 2.622 422 HB3 ASN 56 2HB ASN 56 -10.681 -9.611 3.123 423 HD21 ASN 56 1HD2 ASN 56 -9.060 -12.370 3.660 424 HD22 ASN 56 2HD2 ASN 56 -8.578 -12.186 5.313 425 H SER 57 H SER 57 -13.995 -12.660 2.814 426 HA SER 57 HA SER 57 -13.860 -12.559 0.195 427 HB2 SER 57 1HB SER 57 -15.406 -14.011 1.491 428 HB3 SER 57 2HB SER 57 -16.460 -12.643 1.791 429 HG SER 57 HG SER 57 -17.423 -13.210 -0.032 430 H THR 58 H THR 58 -15.331 -10.072 2.290 431 HA THR 58 HA THR 58 -16.699 -8.663 0.270 432 HB THR 58 HB THR 58 -15.611 -7.992 3.044 433 HG1 THR 58 1HG THR 58 -18.157 -8.516 1.688 434 HG21 THR 58 1HG2 THR 58 -16.784 -6.204 0.963 435 HG22 THR 58 2HG2 THR 58 -17.639 -6.180 2.524 436 HG23 THR 58 3HG2 THR 58 -15.907 -5.779 2.452 437 H TRP 59 H TRP 59 -13.442 -8.108 1.766 438 HA TRP 59 HA TRP 59 -12.717 -5.917 0.326 439 HB2 TRP 59 1HB TRP 59 -11.191 -8.223 1.474 440 HB3 TRP 59 2HB TRP 59 -10.351 -7.037 0.495 441 HD1 TRP 59 HD TRP 59 -11.324 -7.607 4.011 442 HE1 TRP 59 1HE TRP 59 -11.066 -5.473 5.542 443 HE3 TRP 59 3HE TRP 59 -10.822 -4.284 0.195 444 HZ2 TRP 59 2HZ TRP 59 -10.689 -2.697 4.997 445 HZ3 TRP 59 3HZ TRP 59 -10.513 -1.881 0.782 446 HH2 TRP 59 HH TRP 59 -10.442 -1.070 3.087 447 H TYR 60 H TYR 60 -12.997 -9.328 -0.678 448 HA TYR 60 HA TYR 60 -11.667 -8.870 -3.187 449 HB2 TYR 60 1HB TYR 60 -11.860 -11.025 -1.687 450 HB3 TYR 60 2HB TYR 60 -13.519 -11.137 -2.240 451 HD1 TYR 60 2HD TYR 60 -13.981 -11.490 -4.704 452 HD2 TYR 60 1HD TYR 60 -10.051 -11.790 -3.040 453 HE1 TYR 60 2HE TYR 60 -13.204 -12.777 -6.754 454 HE2 TYR 60 1HE TYR 60 -9.287 -13.077 -5.096 455 HH TYR 60 HH TYR 60 -11.178 -13.241 -7.924 456 H GLU 61 H GLU 61 -15.057 -9.620 -2.109 457 HA GLU 61 HA GLU 61 -16.212 -9.575 -4.563 458 HB2 GLU 61 1HB GLU 61 -17.247 -8.782 -1.821 459 HB3 GLU 61 2HB GLU 61 -18.295 -8.743 -3.225 460 HG2 GLU 61 1HG GLU 61 -16.969 -11.248 -3.379 461 HG3 GLU 61 2HG GLU 61 -17.357 -11.051 -1.682 462 H ARG 62 H ARG 62 -14.779 -6.940 -2.788 463 HA ARG 62 HA ARG 62 -16.230 -5.016 -4.388 464 HB2 ARG 62 1HB ARG 62 -15.310 -3.322 -2.872 465 HB3 ARG 62 2HB ARG 62 -15.968 -4.630 -1.909 466 HG2 ARG 62 1HG ARG 62 -13.750 -5.569 -1.520 467 HG3 ARG 62 2HG ARG 62 -13.022 -4.485 -2.690 468 HD2 ARG 62 1HD ARG 62 -14.236 -3.741 0.008 469 HD3 ARG 62 2HD ARG 62 -12.561 -3.583 -0.482 470 HE ARG 62 HE ARG 62 -13.868 -2.039 -2.353 471 HH11 ARG 62 2HH2 ARG 62 -13.952 -2.127 1.163 472 HH12 ARG 62 1HH2 ARG 62 -14.323 -0.442 1.324 473 HH21 ARG 62 2HH1 ARG 62 -14.357 0.183 -2.142 474 HH22 ARG 62 1HH1 ARG 62 -14.555 0.880 -0.569 475 H TYR 63 H TYR 63 -13.039 -6.506 -3.873 476 HA TYR 63 HA TYR 63 -12.064 -5.039 -6.218 477 HB2 TYR 63 1HB TYR 63 -10.730 -5.655 -3.510 478 HB3 TYR 63 2HB TYR 63 -9.818 -5.092 -4.896 479 HD1 TYR 63 1HD TYR 63 -11.410 -2.956 -6.034 480 HD2 TYR 63 2HD TYR 63 -10.813 -3.966 -1.920 481 HE1 TYR 63 1HE TYR 63 -11.891 -0.550 -5.366 482 HE2 TYR 63 2HE TYR 63 -11.295 -1.557 -1.266 483 HH TYR 63 HH TYR 63 -11.464 0.946 -3.606 484 H LYS 64 H LYS 64 -12.912 -7.180 -7.149 485 HA LYS 64 HA LYS 64 -10.977 -9.326 -6.656 486 HB2 LYS 64 1HB LYS 64 -12.638 -10.844 -7.529 487 HB3 LYS 64 2HB LYS 64 -13.346 -9.878 -6.251 488 HG2 LYS 64 1HG LYS 64 -14.138 -8.277 -8.168 489 HG3 LYS 64 2HG LYS 64 -13.756 -9.601 -9.251 490 HD2 LYS 64 1HD LYS 64 -15.682 -10.673 -8.716 491 HD3 LYS 64 2HD LYS 64 -15.278 -10.643 -7.011 492 HE2 LYS 64 1HE LYS 64 -16.002 -8.009 -7.406 493 HE3 LYS 64 2HE LYS 64 -17.037 -8.807 -8.573 494 HZ1 LYS 64 1HZ LYS 64 -17.050 -10.255 -6.187 495 HZ2 LYS 64 2HZ LYS 64 -17.375 -8.691 -5.849 496 HZ3 LYS 64 3HZ LYS 64 -18.296 -9.501 -6.927 497 H PHE 65 H PHE 65 -11.745 -6.749 -8.756 498 HA PHE 65 HA PHE 65 -10.025 -7.949 -10.786 499 HB2 PHE 65 1HB PHE 65 -11.680 -6.684 -12.421 500 HB3 PHE 65 2HB PHE 65 -12.202 -8.224 -11.768 501 HD1 PHE 65 1HD PHE 65 -12.386 -4.574 -11.021 502 HD2 PHE 65 2HD PHE 65 -14.274 -8.364 -10.745 503 HE1 PHE 65 1HE PHE 65 -14.445 -3.481 -10.089 504 HE2 PHE 65 2HE PHE 65 -16.333 -7.271 -9.813 505 HZ PHE 65 HZ PHE 65 -16.393 -4.842 -9.496 506 H ASP 66 H ASP 66 -10.185 -5.700 -8.508 507 HA ASP 66 HA ASP 66 -9.060 -3.651 -10.253 508 HB2 ASP 66 1HB ASP 66 -10.083 -2.887 -7.541 509 HB3 ASP 66 2HB ASP 66 -10.099 -1.965 -9.031 510 H ILE 67 H ILE 67 -7.776 -6.006 -8.900 511 HA ILE 67 HA ILE 67 -6.194 -4.623 -6.852 512 HB ILE 67 HB ILE 67 -5.545 -7.254 -6.623 513 HG12 ILE 67 1HG1 ILE 67 -8.466 -7.142 -7.429 514 HG13 ILE 67 2HG1 ILE 67 -7.180 -7.974 -8.279 515 HG21 ILE 67 1HG2 ILE 67 -7.945 -6.381 -5.110 516 HG22 ILE 67 2HG2 ILE 67 -6.394 -7.040 -4.537 517 HG23 ILE 67 3HG2 ILE 67 -6.512 -5.330 -5.018 518 HD11 ILE 67 1HD1 ILE 67 -7.478 -9.795 -6.973 519 HD12 ILE 67 2HD1 ILE 67 -7.104 -8.828 -5.526 520 HD13 ILE 67 3HD1 ILE 67 -8.782 -8.948 -6.106 521 HA PRO 68 HA PRO 68 -4.475 -5.774 -5.889 522 HB2 PRO 68 1HB PRO 68 -2.023 -4.769 -5.221 523 HB3 PRO 68 2HB PRO 68 -2.313 -6.472 -5.515 524 HG2 PRO 68 1HG PRO 68 -0.971 -4.494 -7.254 525 HG3 PRO 68 2HG PRO 68 -0.900 -6.243 -7.323 526 HD2 PRO 68 1HD PRO 68 -2.410 -4.518 -9.047 527 HD3 PRO 68 2HD PRO 68 -2.428 -6.270 -9.041 528 H VAL 69 H VAL 69 -5.043 -4.392 -4.199 529 HA VAL 69 HA VAL 69 -5.262 -1.635 -5.174 530 HB VAL 69 HB VAL 69 -6.866 -3.259 -3.199 531 HG11 VAL 69 1HG1 VAL 69 -6.655 -1.066 -2.227 532 HG12 VAL 69 2HG1 VAL 69 -7.006 -0.285 -3.787 533 HG13 VAL 69 3HG1 VAL 69 -8.278 -1.203 -2.945 534 HG21 VAL 69 1HG2 VAL 69 -8.727 -2.788 -4.739 535 HG22 VAL 69 2HG2 VAL 69 -7.618 -1.894 -5.807 536 HG23 VAL 69 3HG2 VAL 69 -7.398 -3.643 -5.560 537 H PHE 70 H PHE 70 -4.816 0.121 -3.667 538 HA PHE 70 HA PHE 70 -3.238 -0.695 -1.348 539 HB2 PHE 70 1HB PHE 70 -2.535 1.317 -3.568 540 HB3 PHE 70 2HB PHE 70 -1.616 1.170 -2.083 541 HD1 PHE 70 1HD PHE 70 -2.443 -0.446 -5.268 542 HD2 PHE 70 2HD PHE 70 -0.121 -0.693 -1.725 543 HE1 PHE 70 1HE PHE 70 -1.024 -2.229 -6.322 544 HE2 PHE 70 2HE PHE 70 1.297 -2.476 -2.778 545 HZ PHE 70 HZ PHE 70 0.829 -3.223 -5.064 546 H HIS 71 H HIS 71 -4.084 0.279 0.426 547 HA HIS 71 HA HIS 71 -5.385 2.868 -0.009 548 HB2 HIS 71 1HB HIS 71 -5.960 0.727 2.058 549 HB3 HIS 71 2HB HIS 71 -6.711 2.310 2.031 550 HD1 HIS 71 1HD HIS 71 -8.841 0.449 1.851 551 HD2 HIS 71 2HD HIS 71 -6.549 1.237 -1.572 552 HE1 HIS 71 1HE HIS 71 -10.255 -0.288 -0.141 553 H LEU 72 H LEU 72 -4.266 4.580 0.763 554 HA LEU 72 HA LEU 72 -2.288 4.038 2.849 555 HB2 LEU 72 1HB LEU 72 -2.173 5.433 0.427 556 HB3 LEU 72 2HB LEU 72 -2.195 6.677 1.660 557 HG LEU 72 HG LEU 72 -0.156 4.520 1.180 558 HD11 LEU 72 1HD1 LEU 72 0.464 6.459 0.075 559 HD12 LEU 72 2HD1 LEU 72 -0.169 7.521 1.356 560 HD13 LEU 72 3HD1 LEU 72 1.332 6.602 1.622 561 HD21 LEU 72 1HD2 LEU 72 -0.029 4.114 3.375 562 HD22 LEU 72 2HD2 LEU 72 0.729 5.721 3.484 563 HD23 LEU 72 3HD2 LEU 72 -1.014 5.537 3.796 564 H ASN 73 H ASN 73 -2.892 4.456 4.899 565 HA ASN 73 HA ASN 73 -3.712 5.499 6.621 566 HB2 ASN 73 1HB ASN 73 -3.577 7.645 4.654 567 HB3 ASN 73 2HB ASN 73 -5.031 7.851 5.609 568 HD21 ASN 73 1HD2 ASN 73 -1.705 8.279 5.443 569 HD22 ASN 73 2HD2 ASN 73 -1.371 8.730 7.082 570 H GLY 74 H GLY 74 -5.279 3.709 4.782 571 HA2 GLY 74 1HA GLY 74 -7.359 2.824 4.810 572 HA3 GLY 74 2HA GLY 74 -7.863 4.055 5.951 573 H GLN 75 H GLN 75 -6.354 4.697 2.750 574 HA GLN 75 HA GLN 75 -8.941 5.382 1.683 575 HB2 GLN 75 1HB GLN 75 -7.540 7.390 2.899 576 HB3 GLN 75 2HB GLN 75 -6.867 7.497 1.285 577 HG2 GLN 75 1HG GLN 75 -9.726 7.157 1.035 578 HG3 GLN 75 2HG GLN 75 -9.434 8.424 2.210 579 HE21 GLN 75 1HE2 GLN 75 -7.589 9.957 1.565 580 HE22 GLN 75 2HE2 GLN 75 -7.625 10.572 -0.054 581 H PHE 76 H PHE 76 -9.040 4.545 -0.355 582 HA PHE 76 HA PHE 76 -7.128 3.154 -1.588 583 HB2 PHE 76 1HB PHE 76 -9.244 3.114 -2.640 584 HB3 PHE 76 2HB PHE 76 -9.500 4.831 -2.397 585 HD1 PHE 76 2HD PHE 76 -7.087 2.691 -4.298 586 HD2 PHE 76 1HD PHE 76 -9.671 6.057 -4.328 587 HE1 PHE 76 2HE PHE 76 -6.503 3.118 -6.702 588 HE2 PHE 76 1HE PHE 76 -9.087 6.484 -6.732 589 HZ PHE 76 HZ PHE 76 -7.510 5.009 -7.890 590 H LEU 77 H LEU 77 -5.011 3.730 -1.884 591 HA LEU 77 HA LEU 77 -4.404 6.445 -2.676 592 HB2 LEU 77 1HB LEU 77 -2.666 6.029 -1.393 593 HB3 LEU 77 2HB LEU 77 -3.098 4.336 -1.263 594 HG LEU 77 HG LEU 77 -1.930 4.075 -3.568 595 HD11 LEU 77 1HD1 LEU 77 -0.833 6.750 -2.672 596 HD12 LEU 77 2HD1 LEU 77 -0.060 5.705 -3.888 597 HD13 LEU 77 3HD1 LEU 77 -1.683 6.371 -4.189 598 HD21 LEU 77 1HD2 LEU 77 -0.865 4.187 -0.836 599 HD22 LEU 77 2HD2 LEU 77 -0.701 2.934 -2.089 600 HD23 LEU 77 3HD2 LEU 77 0.375 4.352 -2.103 601 H MET 78 H MET 78 -4.272 3.091 -3.984 602 HA MET 78 HA MET 78 -4.707 3.970 -6.569 603 HB2 MET 78 1HB MET 78 -2.514 3.696 -7.600 604 HB3 MET 78 2HB MET 78 -2.282 4.760 -6.227 605 HG2 MET 78 1HG MET 78 -1.732 2.581 -4.878 606 HG3 MET 78 2HG MET 78 -1.581 1.806 -6.443 607 HE1 MET 78 1HE MET 78 2.019 2.281 -5.228 608 HE2 MET 78 2HE MET 78 1.009 2.977 -3.938 609 HE3 MET 78 3HE MET 78 0.489 1.494 -4.774 610 H MET 79 H MET 79 -4.944 2.174 -8.066 611 HA MET 79 HA MET 79 -4.344 -0.430 -6.969 612 HB2 MET 79 1HB MET 79 -6.698 -1.201 -7.441 613 HB3 MET 79 2HB MET 79 -6.659 0.041 -6.205 614 HG2 MET 79 1HG MET 79 -7.260 1.773 -7.877 615 HG3 MET 79 2HG MET 79 -7.206 0.585 -9.164 616 HE1 MET 79 1HE MET 79 -10.739 1.778 -6.869 617 HE2 MET 79 2HE MET 79 -9.089 2.437 -6.759 618 HE3 MET 79 3HE MET 79 -9.949 2.445 -8.318 619 H HIS 80 H HIS 80 -4.529 -2.185 -8.629 620 HA HIS 80 HA HIS 80 -4.570 -2.978 -10.717 621 HB2 HIS 80 1HB HIS 80 -4.662 -0.205 -11.899 622 HB3 HIS 80 2HB HIS 80 -5.155 -1.722 -12.627 623 HD1 HIS 80 1HD HIS 80 -7.112 0.665 -12.531 624 HD2 HIS 80 2HD HIS 80 -6.953 -2.354 -9.623 625 HE1 HIS 80 1HE HIS 80 -9.396 0.648 -11.392 626 H ARG 81 H ARG 81 -2.366 -1.424 -9.001 627 HA ARG 81 HA ARG 81 -0.207 -2.451 -10.117 628 HB2 ARG 81 1HB ARG 81 -1.098 -0.203 -11.760 629 HB3 ARG 81 2HB ARG 81 0.484 0.147 -11.091 630 HG2 ARG 81 1HG ARG 81 1.504 -1.378 -12.441 631 HG3 ARG 81 2HG ARG 81 0.342 -2.627 -12.038 632 HD2 ARG 81 1HD ARG 81 -0.929 -2.231 -13.912 633 HD3 ARG 81 2HD ARG 81 -0.781 -0.491 -13.771 634 HE ARG 81 HE ARG 81 1.775 -1.467 -14.516 635 HH11 ARG 81 2HH2 ARG 81 -1.470 -1.318 -15.869 636 HH12 ARG 81 1HH2 ARG 81 -0.922 -1.287 -17.512 637 HH21 ARG 81 2HH1 ARG 81 2.499 -1.425 -16.683 638 HH22 ARG 81 1HH1 ARG 81 1.351 -1.348 -17.978 639 H VAL 82 H VAL 82 1.819 -0.464 -9.804 640 HA VAL 82 HA VAL 82 1.190 0.802 -7.247 641 HB VAL 82 HB VAL 82 3.680 -0.840 -7.716 642 HG11 VAL 82 1HG1 VAL 82 2.470 0.332 -5.188 643 HG12 VAL 82 2HG1 VAL 82 3.963 -0.633 -5.289 644 HG13 VAL 82 3HG1 VAL 82 3.884 0.968 -6.062 645 HG21 VAL 82 1HG2 VAL 82 0.980 -1.648 -6.732 646 HG22 VAL 82 2HG2 VAL 82 2.208 -2.585 -7.617 647 HG23 VAL 82 3HG2 VAL 82 2.398 -2.293 -5.871 648 H ASN 83 H ASN 83 1.137 2.818 -8.349 649 HA ASN 83 HA ASN 83 3.375 3.520 -9.964 650 HB2 ASN 83 1HB ASN 83 0.724 4.669 -9.250 651 HB3 ASN 83 2HB ASN 83 1.973 5.885 -9.431 652 HD21 ASN 83 1HD2 ASN 83 2.937 6.252 -11.391 653 HD22 ASN 83 2HD2 ASN 83 2.346 5.621 -12.892 654 H THR 84 H THR 84 5.112 3.312 -8.313 655 HA THR 84 HA THR 84 5.257 4.280 -5.825 656 HB THR 84 HB THR 84 7.724 4.758 -6.458 657 HG1 THR 84 1HG THR 84 8.006 3.938 -8.788 658 HG21 THR 84 1HG2 THR 84 6.920 2.179 -7.805 659 HG22 THR 84 2HG2 THR 84 8.234 2.479 -6.643 660 HG23 THR 84 3HG2 THR 84 6.553 2.350 -6.071 661 H SER 85 H SER 85 5.832 6.321 -8.767 662 HA SER 85 HA SER 85 6.435 8.633 -7.648 663 HB2 SER 85 1HB SER 85 6.053 8.166 -10.104 664 HB3 SER 85 2HB SER 85 4.330 8.340 -9.836 665 HG SER 85 HG SER 85 4.539 10.466 -9.894 666 H LYS 86 H LYS 86 3.083 7.284 -7.949 667 HA LYS 86 HA LYS 86 1.823 9.488 -6.744 668 HB2 LYS 86 1HB LYS 86 1.010 7.265 -8.115 669 HB3 LYS 86 2HB LYS 86 0.536 6.840 -6.482 670 HG2 LYS 86 1HG LYS 86 -1.094 8.455 -6.393 671 HG3 LYS 86 2HG LYS 86 -0.099 9.650 -7.200 672 HD2 LYS 86 1HD LYS 86 -1.684 9.292 -8.862 673 HD3 LYS 86 2HD LYS 86 -0.497 8.093 -9.336 674 HE2 LYS 86 1HE LYS 86 -1.959 6.395 -8.963 675 HE3 LYS 86 2HE LYS 86 -2.269 6.947 -7.329 676 HZ1 LYS 86 1HZ LYS 86 -3.574 8.745 -8.826 677 HZ2 LYS 86 2HZ LYS 86 -3.796 7.378 -9.691 678 HZ3 LYS 86 3HZ LYS 86 -4.261 7.439 -8.126 679 H LEU 87 H LEU 87 2.531 6.176 -5.412 680 HA LEU 87 HA LEU 87 1.783 6.532 -2.866 681 HB2 LEU 87 1HB LEU 87 2.544 4.433 -3.452 682 HB3 LEU 87 2HB LEU 87 4.047 5.036 -4.123 683 HG LEU 87 HG LEU 87 4.702 5.648 -1.720 684 HD11 LEU 87 1HD1 LEU 87 2.379 5.445 -0.818 685 HD12 LEU 87 2HD1 LEU 87 2.510 3.681 -1.021 686 HD13 LEU 87 3HD1 LEU 87 3.608 4.533 0.092 687 HD21 LEU 87 1HD2 LEU 87 5.552 3.425 -1.271 688 HD22 LEU 87 2HD2 LEU 87 4.375 2.713 -2.401 689 HD23 LEU 87 3HD2 LEU 87 5.664 3.778 -3.012 690 H GLU 88 H GLU 88 5.192 7.193 -3.956 691 HA GLU 88 HA GLU 88 6.139 8.303 -1.745 692 HB2 GLU 88 1HB GLU 88 6.619 9.549 -4.482 693 HB3 GLU 88 2HB GLU 88 7.730 9.506 -3.127 694 HG2 GLU 88 1HG GLU 88 7.105 6.800 -3.516 695 HG3 GLU 88 2HG GLU 88 7.159 7.430 -5.150 696 H LYS 89 H LYS 89 4.438 10.197 -4.350 697 HA LYS 89 HA LYS 89 4.451 12.651 -3.280 698 HB2 LYS 89 1HB LYS 89 3.269 11.584 -5.401 699 HB3 LYS 89 2HB LYS 89 1.851 11.641 -4.373 700 HG2 LYS 89 1HG LYS 89 3.644 14.077 -4.690 701 HG3 LYS 89 2HG LYS 89 2.392 13.724 -5.865 702 HD2 LYS 89 1HD LYS 89 0.687 14.293 -4.427 703 HD3 LYS 89 2HD LYS 89 1.475 13.571 -3.038 704 HE2 LYS 89 1HE LYS 89 1.637 15.831 -2.474 705 HE3 LYS 89 2HE LYS 89 3.170 15.608 -3.293 706 HZ1 LYS 89 1HZ LYS 89 2.175 17.487 -4.217 707 HZ2 LYS 89 2HZ LYS 89 1.975 16.324 -5.346 708 HZ3 LYS 89 3HZ LYS 89 0.719 16.770 -4.401 709 H GLN 90 H GLN 90 1.980 10.106 -2.488 710 HA GLN 90 HA GLN 90 0.702 11.616 -0.574 711 HB2 GLN 90 1HB GLN 90 0.995 8.586 -0.767 712 HB3 GLN 90 2HB GLN 90 -0.179 9.408 0.241 713 HG2 GLN 90 1HG GLN 90 0.014 9.617 -2.802 714 HG3 GLN 90 2HG GLN 90 -1.191 8.703 -1.915 715 HE21 GLN 90 1HE2 GLN 90 -0.055 11.838 -2.871 716 HE22 GLN 90 2HE2 GLN 90 -1.431 12.772 -2.386 717 H LEU 91 H LEU 91 3.280 9.081 -0.189 718 HA LEU 91 HA LEU 91 3.534 9.086 2.505 719 HB2 LEU 91 1HB LEU 91 5.514 8.781 0.274 720 HB3 LEU 91 2HB LEU 91 6.050 8.725 1.941 721 HG LEU 91 HG LEU 91 3.891 6.922 0.820 722 HD11 LEU 91 1HD1 LEU 91 6.577 5.811 1.403 723 HD12 LEU 91 2HD1 LEU 91 5.400 5.387 0.137 724 HD13 LEU 91 3HD1 LEU 91 6.436 6.822 -0.055 725 HD21 LEU 91 1HD2 LEU 91 4.581 7.501 3.453 726 HD22 LEU 91 2HD2 LEU 91 3.638 6.107 2.874 727 HD23 LEU 91 3HD2 LEU 91 5.395 5.955 3.112 728 H ARG 92 H ARG 92 5.190 11.358 0.207 729 HA ARG 92 HA ARG 92 6.660 12.787 1.837 730 HB2 ARG 92 1HB ARG 92 4.736 13.940 -0.245 731 HB3 ARG 92 2HB ARG 92 6.109 14.807 0.412 732 HG2 ARG 92 1HG ARG 92 7.381 12.527 -0.368 733 HG3 ARG 92 2HG ARG 92 6.058 12.508 -1.517 734 HD2 ARG 92 1HD ARG 92 7.749 13.762 -2.627 735 HD3 ARG 92 2HD ARG 92 6.661 14.991 -2.012 736 HE ARG 92 HE ARG 92 8.339 15.721 -0.548 737 HH11 ARG 92 2HH2 ARG 92 9.170 12.525 -1.764 738 HH12 ARG 92 1HH2 ARG 92 10.759 12.535 -1.073 739 HH21 ARG 92 2HH1 ARG 92 10.435 15.735 0.364 740 HH22 ARG 92 1HH1 ARG 92 11.483 14.373 0.146 741 H LYS 93 H LYS 93 3.102 13.363 1.332 742 HA LYS 93 HA LYS 93 3.118 14.866 3.855 743 HB2 LYS 93 1HB LYS 93 1.652 15.230 1.274 744 HB3 LYS 93 2HB LYS 93 0.820 15.657 2.756 745 HG2 LYS 93 1HG LYS 93 3.609 16.632 2.714 746 HG3 LYS 93 2HG LYS 93 2.664 17.261 1.379 747 HD2 LYS 93 1HD LYS 93 0.949 17.438 3.635 748 HD3 LYS 93 2HD LYS 93 2.521 17.942 4.223 749 HE2 LYS 93 1HE LYS 93 1.484 19.044 1.594 750 HE3 LYS 93 2HE LYS 93 0.902 19.717 3.104 751 HZ1 LYS 93 1HZ LYS 93 2.729 20.947 2.939 752 HZ2 LYS 93 2HZ LYS 93 3.527 19.644 3.516 753 HZ3 LYS 93 3HZ LYS 93 3.489 19.933 1.909 754 H LEU 94 H LEU 94 0.336 13.482 2.061 755 HA LEU 94 HA LEU 94 -1.057 11.825 2.552 756 HB2 LEU 94 1HB LEU 94 1.360 10.970 3.831 757 HB3 LEU 94 2HB LEU 94 0.000 10.571 4.862 758 HG LEU 94 HG LEU 94 0.595 9.622 2.067 759 HD11 LEU 94 1HD1 LEU 94 0.643 8.503 4.751 760 HD12 LEU 94 2HD1 LEU 94 -0.350 7.530 3.639 761 HD13 LEU 94 3HD1 LEU 94 1.347 7.886 3.237 762 HD21 LEU 94 1HD2 LEU 94 -1.591 9.994 1.602 763 HD22 LEU 94 2HD2 LEU 94 -1.782 8.455 2.476 764 HD23 LEU 94 3HD2 LEU 94 -2.077 9.997 3.314 765 H SER 95 H SER 95 0.374 13.270 5.559 766 HA SER 95 HA SER 95 -0.561 14.046 7.367 767 HB2 SER 95 1HB SER 95 -1.244 15.732 5.516 768 HB3 SER 95 2HB SER 95 -2.849 15.036 5.625 769 HG SER 95 HG SER 95 -1.564 15.864 8.043 770 H GLY 96 H GLY 96 -1.079 12.047 8.426 771 HA2 GLY 96 1HA GLY 96 -3.901 11.199 8.154 772 HA3 GLY 96 2HA GLY 96 -2.565 10.130 8.533 773 HA PRO 97 HA PRO 97 -4.375 12.077 12.374 774 HB2 PRO 97 1HB PRO 97 -6.342 10.323 13.097 775 HB3 PRO 97 2HB PRO 97 -6.661 11.825 12.253 776 HG2 PRO 97 1HG PRO 97 -6.680 9.065 11.196 777 HG3 PRO 97 2HG PRO 97 -7.394 10.510 10.507 778 HD2 PRO 97 1HD PRO 97 -4.971 9.225 9.668 779 HD3 PRO 97 2HD PRO 97 -5.624 10.732 9.057 780 H SER 98 H SER 98 -2.164 11.488 12.871 781 HA SER 98 HA SER 98 -2.052 8.842 14.049 782 HB2 SER 98 1HB SER 98 0.435 9.296 14.135 783 HB3 SER 98 2HB SER 98 -0.242 9.286 12.519 784 HG SER 98 HG SER 98 0.572 11.245 12.293 785 H SER 99 H SER 99 -2.371 8.657 16.234 786 HA SER 99 HA SER 99 -1.214 10.640 17.941 787 HB2 SER 99 1HB SER 99 -4.221 10.195 17.790 788 HB3 SER 99 2HB SER 99 -3.452 10.870 19.213 789 HG SER 99 HG SER 99 -4.265 12.237 17.129 790 H GLY 100 H GLY 100 0.003 9.200 19.140 791 HA2 GLY 100 1HA GLY 100 -1.465 7.000 20.448 792 HA3 GLY 100 2HA GLY 100 0.051 6.698 19.623 Start of MODEL 6 1 H1 GLY 1 H GLY 1 22.776 13.057 5.192 2 HA2 GLY 1 1HA GLY 1 24.591 11.355 4.284 3 HA3 GLY 1 2HA GLY 1 23.901 11.894 2.766 4 H SER 2 H SER 2 23.859 14.285 2.311 5 HA SER 2 HA SER 2 24.818 16.225 2.157 6 HB2 SER 2 1HB SER 2 25.741 15.797 5.034 7 HB3 SER 2 2HB SER 2 25.763 17.330 4.185 8 HG SER 2 HG SER 2 23.800 17.538 5.042 9 H SER 3 H SER 3 26.725 16.898 1.154 10 HA SER 3 HA SER 3 29.218 15.870 2.043 11 HB2 SER 3 1HB SER 3 27.990 14.908 -0.563 12 HB3 SER 3 2HB SER 3 29.729 14.959 -0.349 13 HG SER 3 HG SER 3 29.263 12.938 0.362 14 H GLY 4 H GLY 4 27.548 17.210 -0.908 15 HA2 GLY 4 1HA GLY 4 28.998 19.703 -0.628 16 HA3 GLY 4 2HA GLY 4 29.459 18.737 -2.015 17 H SER 5 H SER 5 27.805 21.376 -1.498 18 HA SER 5 HA SER 5 26.137 22.420 -2.412 19 HB2 SER 5 1HB SER 5 27.003 21.847 -4.563 20 HB3 SER 5 2HB SER 5 26.469 20.183 -4.435 21 HG SER 5 HG SER 5 24.407 22.100 -4.251 22 H SER 6 H SER 6 24.823 21.917 -0.481 23 HA SER 6 HA SER 6 22.412 20.634 -1.243 24 HB2 SER 6 1HB SER 6 24.390 19.102 0.213 25 HB3 SER 6 2HB SER 6 23.017 19.381 1.265 26 HG SER 6 HG SER 6 21.795 18.719 -0.902 27 H GLY 7 H GLY 7 20.731 20.865 0.583 28 HA2 GLY 7 1HA GLY 7 21.478 23.018 2.461 29 HA3 GLY 7 2HA GLY 7 20.063 23.160 1.436 30 H ASN 8 H ASN 8 21.576 20.626 3.574 31 HA ASN 8 HA ASN 8 18.965 19.701 4.262 32 HB2 ASN 8 1HB ASN 8 21.288 18.377 4.021 33 HB3 ASN 8 2HB ASN 8 21.495 18.839 5.699 34 HD21 ASN 8 1HD2 ASN 8 19.952 18.189 7.259 35 HD22 ASN 8 2HD2 ASN 8 18.970 16.779 7.035 36 H LEU 9 H LEU 9 17.987 19.940 6.369 37 HA LEU 9 HA LEU 9 19.352 21.881 8.100 38 HB2 LEU 9 1HB LEU 9 16.405 21.392 7.653 39 HB3 LEU 9 2HB LEU 9 17.061 22.457 8.880 40 HG LEU 9 HG LEU 9 17.476 22.794 5.896 41 HD11 LEU 9 1HD1 LEU 9 15.219 23.439 7.560 42 HD12 LEU 9 2HD1 LEU 9 15.970 24.932 6.946 43 HD13 LEU 9 3HD1 LEU 9 15.441 23.668 5.809 44 HD21 LEU 9 1HD2 LEU 9 19.309 23.704 7.266 45 HD22 LEU 9 2HD2 LEU 9 18.381 24.980 6.441 46 HD23 LEU 9 3HD2 LEU 9 18.131 24.678 8.178 47 H SER 10 H SER 10 16.831 19.263 8.301 48 HA SER 10 HA SER 10 18.351 17.686 9.983 49 HB2 SER 10 1HB SER 10 17.041 19.904 11.325 50 HB3 SER 10 2HB SER 10 16.330 18.399 11.873 51 HG SER 10 HG SER 10 18.556 19.429 12.774 52 H ALA 11 H ALA 11 14.914 18.883 9.752 53 HA ALA 11 HA ALA 11 13.017 17.846 9.286 54 HB1 ALA 11 1HB ALA 11 13.001 16.477 7.419 55 HB2 ALA 11 2HB ALA 11 14.619 17.201 7.262 56 HB3 ALA 11 3HB ALA 11 14.439 15.566 7.940 57 H SER 12 H SER 12 11.649 15.913 9.823 58 HA SER 12 HA SER 12 12.815 13.829 11.304 59 HB2 SER 12 1HB SER 12 13.046 15.384 13.113 60 HB3 SER 12 2HB SER 12 11.473 16.097 12.813 61 HG SER 12 HG SER 12 10.447 14.385 13.761 62 H ASN 13 H ASN 13 11.165 12.212 11.939 63 HA ASN 13 HA ASN 13 8.467 12.837 11.187 64 HB2 ASN 13 1HB ASN 13 10.268 11.406 9.408 65 HB3 ASN 13 2HB ASN 13 9.046 10.283 9.970 66 HD21 ASN 13 1HD2 ASN 13 9.519 11.511 7.341 67 HD22 ASN 13 2HD2 ASN 13 8.045 12.292 6.874 68 H ARG 14 H ARG 14 7.017 11.542 12.429 69 HA ARG 14 HA ARG 14 8.247 9.322 13.845 70 HB2 ARG 14 1HB ARG 14 6.676 11.661 14.948 71 HB3 ARG 14 2HB ARG 14 6.500 10.105 15.736 72 HG2 ARG 14 1HG ARG 14 9.017 9.977 15.955 73 HG3 ARG 14 2HG ARG 14 9.133 11.582 15.261 74 HD2 ARG 14 1HD ARG 14 7.245 11.944 17.291 75 HD3 ARG 14 2HD ARG 14 8.337 10.771 18.000 76 HE ARG 14 HE ARG 14 10.057 12.384 18.021 77 HH11 ARG 14 2HH2 ARG 14 7.339 13.544 16.110 78 HH12 ARG 14 1HH2 ARG 14 7.952 15.159 15.985 79 HH21 ARG 14 2HH1 ARG 14 10.866 14.514 17.857 80 HH22 ARG 14 1HH1 ARG 14 9.972 15.715 16.985 81 H ALA 15 H ALA 15 6.895 7.477 14.095 82 HA ALA 15 HA ALA 15 5.200 6.109 13.711 83 HB1 ALA 15 1HB ALA 15 3.943 7.729 15.119 84 HB2 ALA 15 2HB ALA 15 3.495 8.632 13.652 85 HB3 ALA 15 3HB ALA 15 2.910 6.967 13.885 86 H LEU 16 H LEU 16 4.565 5.011 11.882 87 HA LEU 16 HA LEU 16 4.648 6.580 9.403 88 HB2 LEU 16 1HB LEU 16 5.105 3.615 9.720 89 HB3 LEU 16 2HB LEU 16 5.363 4.590 8.287 90 HG LEU 16 HG LEU 16 6.922 4.923 10.863 91 HD11 LEU 16 1HD1 LEU 16 8.108 3.128 10.336 92 HD12 LEU 16 2HD1 LEU 16 7.116 2.866 8.881 93 HD13 LEU 16 3HD1 LEU 16 8.566 3.896 8.797 94 HD21 LEU 16 1HD2 LEU 16 7.893 6.702 9.952 95 HD22 LEU 16 2HD2 LEU 16 8.195 5.843 8.423 96 HD23 LEU 16 3HD2 LEU 16 6.634 6.653 8.695 97 HA PRO 17 HA PRO 17 0.534 5.512 8.666 98 HB2 PRO 17 1HB PRO 17 0.408 5.439 5.937 99 HB3 PRO 17 2HB PRO 17 0.394 6.930 6.858 100 HG2 PRO 17 1HG PRO 17 2.596 5.747 5.279 101 HG3 PRO 17 2HG PRO 17 2.411 7.397 5.841 102 HD2 PRO 17 1HD PRO 17 4.123 5.384 6.958 103 HD3 PRO 17 2HD PRO 17 3.851 6.997 7.589 104 H VAL 18 H VAL 18 -1.009 4.018 7.264 105 HA VAL 18 HA VAL 18 0.311 1.392 7.320 106 HB VAL 18 HB VAL 18 -2.448 2.205 8.243 107 HG11 VAL 18 1HG1 VAL 18 -1.308 -0.599 7.978 108 HG12 VAL 18 2HG1 VAL 18 -2.884 -0.163 8.682 109 HG13 VAL 18 3HG1 VAL 18 -2.577 0.110 6.950 110 HG21 VAL 18 1HG2 VAL 18 -1.455 0.817 10.292 111 HG22 VAL 18 2HG2 VAL 18 0.086 1.366 9.588 112 HG23 VAL 18 3HG2 VAL 18 -1.139 2.557 10.088 113 H LEU 19 H LEU 19 0.529 0.659 5.274 114 HA LEU 19 HA LEU 19 -1.417 1.575 3.302 115 HB2 LEU 19 1HB LEU 19 0.978 1.923 2.878 116 HB3 LEU 19 2HB LEU 19 1.250 0.194 2.970 117 HG LEU 19 HG LEU 19 -0.584 0.148 1.042 118 HD11 LEU 19 1HD1 LEU 19 -0.962 2.609 1.184 119 HD12 LEU 19 2HD1 LEU 19 0.701 2.854 0.598 120 HD13 LEU 19 3HD1 LEU 19 -0.495 2.035 -0.435 121 HD21 LEU 19 1HD2 LEU 19 1.745 0.871 -0.368 122 HD22 LEU 19 2HD2 LEU 19 2.293 0.138 1.159 123 HD23 LEU 19 3HD2 LEU 19 1.197 -0.761 0.083 124 H THR 20 H THR 20 -3.187 0.327 3.049 125 HA THR 20 HA THR 20 -3.085 -2.455 3.815 126 HB THR 20 HB THR 20 -5.429 -1.076 2.473 127 HG1 THR 20 1HG THR 20 -4.417 -0.787 5.215 128 HG21 THR 20 1HG2 THR 20 -5.811 -3.359 3.317 129 HG22 THR 20 2HG2 THR 20 -5.068 -2.939 4.878 130 HG23 THR 20 3HG2 THR 20 -6.623 -2.211 4.408 131 H LEU 21 H LEU 21 -1.938 -3.756 2.480 132 HA LEU 21 HA LEU 21 -2.349 -3.409 -0.387 133 HB2 LEU 21 1HB LEU 21 -0.096 -3.510 0.005 134 HB3 LEU 21 2HB LEU 21 -0.253 -4.639 1.337 135 HG LEU 21 HG LEU 21 -0.714 -6.468 -0.229 136 HD11 LEU 21 1HD1 LEU 21 -0.400 -4.348 -2.369 137 HD12 LEU 21 2HD1 LEU 21 -0.397 -6.102 -2.674 138 HD13 LEU 21 3HD1 LEU 21 -1.848 -5.318 -2.005 139 HD21 LEU 21 1HD2 LEU 21 1.469 -6.866 -0.429 140 HD22 LEU 21 2HD2 LEU 21 1.707 -5.480 -1.521 141 HD23 LEU 21 3HD2 LEU 21 1.722 -5.237 0.242 142 H PHE 22 H PHE 22 -3.779 -4.646 -1.473 143 HA PHE 22 HA PHE 22 -4.678 -7.087 -0.115 144 HB2 PHE 22 1HB PHE 22 -5.931 -5.100 -2.095 145 HB3 PHE 22 2HB PHE 22 -6.686 -6.644 -1.753 146 HD1 PHE 22 2HD PHE 22 -7.396 -7.137 0.632 147 HD2 PHE 22 1HD PHE 22 -6.238 -3.263 -0.655 148 HE1 PHE 22 2HE PHE 22 -8.554 -6.130 2.619 149 HE2 PHE 22 1HE PHE 22 -7.396 -2.256 1.332 150 HZ PHE 22 HZ PHE 22 -8.540 -3.702 2.945 151 H THR 23 H THR 23 -3.503 -8.776 -0.955 152 HA THR 23 HA THR 23 -3.302 -8.878 -3.895 153 HB THR 23 HB THR 23 -1.070 -8.732 -3.110 154 HG1 THR 23 1HG THR 23 -0.390 -11.001 -3.289 155 HG21 THR 23 1HG2 THR 23 -2.046 -10.439 -0.771 156 HG22 THR 23 2HG2 THR 23 -0.317 -10.237 -1.142 157 HG23 THR 23 3HG2 THR 23 -1.305 -8.823 -0.701 158 H LYS 24 H LYS 24 -3.027 -11.271 -4.662 159 HA LYS 24 HA LYS 24 -4.470 -13.166 -3.068 160 HB2 LYS 24 1HB LYS 24 -6.361 -13.461 -4.517 161 HB3 LYS 24 2HB LYS 24 -6.311 -11.789 -3.998 162 HG2 LYS 24 1HG LYS 24 -5.816 -10.993 -6.114 163 HG3 LYS 24 2HG LYS 24 -4.825 -12.379 -6.524 164 HD2 LYS 24 1HD LYS 24 -7.554 -13.285 -6.181 165 HD3 LYS 24 2HD LYS 24 -7.568 -11.887 -7.237 166 HE2 LYS 24 1HE LYS 24 -6.346 -12.951 -8.908 167 HE3 LYS 24 2HE LYS 24 -5.434 -13.928 -7.775 168 HZ1 LYS 24 1HZ LYS 24 -7.484 -14.809 -9.223 169 HZ2 LYS 24 2HZ LYS 24 -6.962 -15.520 -7.849 170 HZ3 LYS 24 3HZ LYS 24 -8.234 -14.496 -7.806 171 H ALA 25 H ALA 25 -4.979 -15.150 -4.816 172 HA ALA 25 HA ALA 25 -2.857 -15.354 -6.748 173 HB1 ALA 25 1HB ALA 25 -1.813 -15.883 -4.483 174 HB2 ALA 25 2HB ALA 25 -2.894 -17.296 -4.411 175 HB3 ALA 25 3HB ALA 25 -1.684 -17.166 -5.710 176 HA PRO 26 HA PRO 26 -2.100 -16.900 -7.795 177 HB2 PRO 26 1HB PRO 26 -2.274 -17.456 -10.465 178 HB3 PRO 26 2HB PRO 26 -1.894 -18.667 -9.257 179 HG2 PRO 26 1HG PRO 26 -4.426 -18.241 -10.722 180 HG3 PRO 26 2HG PRO 26 -3.887 -19.663 -9.851 181 HD2 PRO 26 1HD PRO 26 -5.810 -17.730 -8.960 182 HD3 PRO 26 2HD PRO 26 -5.186 -19.087 -8.043 183 H CYS 27 H CYS 27 -1.089 -15.016 -8.206 184 HA CYS 27 HA CYS 27 -2.223 -13.304 -10.178 185 HB2 CYS 27 1HB CYS 27 -3.220 -13.007 -7.528 186 HB3 CYS 27 2HB CYS 27 -2.147 -11.653 -7.822 187 HG CYS 27 HG CYS 27 -4.371 -12.757 -10.006 188 HA PRO 28 HA PRO 28 2.140 -12.683 -9.820 189 HB2 PRO 28 1HB PRO 28 2.527 -11.619 -12.307 190 HB3 PRO 28 2HB PRO 28 2.538 -13.342 -11.990 191 HG2 PRO 28 1HG PRO 28 0.436 -11.706 -13.273 192 HG3 PRO 28 2HG PRO 28 0.660 -13.444 -13.326 193 HD2 PRO 28 1HD PRO 28 -1.267 -12.009 -11.758 194 HD3 PRO 28 2HD PRO 28 -0.964 -13.735 -11.725 195 H LEU 29 H LEU 29 0.159 -10.173 -11.324 196 HA LEU 29 HA LEU 29 1.697 -8.023 -10.934 197 HB2 LEU 29 1HB LEU 29 -1.217 -7.985 -10.189 198 HB3 LEU 29 2HB LEU 29 -0.259 -6.714 -10.922 199 HG LEU 29 HG LEU 29 -1.355 -9.217 -12.190 200 HD11 LEU 29 1HD1 LEU 29 -2.937 -7.660 -12.599 201 HD12 LEU 29 2HD1 LEU 29 -1.810 -6.296 -12.397 202 HD13 LEU 29 3HD1 LEU 29 -1.837 -7.210 -13.924 203 HD21 LEU 29 1HD2 LEU 29 -0.044 -8.276 -14.270 204 HD22 LEU 29 2HD2 LEU 29 1.052 -7.643 -13.019 205 HD23 LEU 29 3HD2 LEU 29 0.733 -9.391 -13.120 206 H CYS 30 H CYS 30 -0.618 -9.255 -8.411 207 HA CYS 30 HA CYS 30 -0.033 -7.607 -6.400 208 HB2 CYS 30 1HB CYS 30 -0.451 -10.607 -6.224 209 HB3 CYS 30 2HB CYS 30 -0.494 -9.527 -4.845 210 HG CYS 30 HG CYS 30 -2.827 -10.413 -6.410 211 H ASP 31 H ASP 31 1.643 -10.821 -6.806 212 HA ASP 31 HA ASP 31 3.556 -10.605 -5.018 213 HB2 ASP 31 1HB ASP 31 3.389 -11.799 -7.737 214 HB3 ASP 31 2HB ASP 31 5.032 -11.557 -7.176 215 H GLU 32 H GLU 32 3.881 -9.421 -8.458 216 HA GLU 32 HA GLU 32 6.324 -8.252 -8.190 217 HB2 GLU 32 1HB GLU 32 4.618 -8.578 -10.241 218 HB3 GLU 32 2HB GLU 32 4.257 -6.896 -9.907 219 HG2 GLU 32 1HG GLU 32 6.216 -6.201 -10.827 220 HG3 GLU 32 2HG GLU 32 7.148 -7.331 -9.865 221 H ALA 33 H ALA 33 3.068 -6.656 -7.878 222 HA ALA 33 HA ALA 33 3.708 -4.134 -7.353 223 HB1 ALA 33 1HB ALA 33 1.598 -5.995 -6.547 224 HB2 ALA 33 2HB ALA 33 1.852 -4.710 -5.341 225 HB3 ALA 33 3HB ALA 33 1.482 -4.286 -7.030 226 H LYS 34 H LYS 34 3.653 -6.699 -4.770 227 HA LYS 34 HA LYS 34 4.601 -5.205 -2.712 228 HB2 LYS 34 1HB LYS 34 5.187 -8.107 -3.368 229 HB3 LYS 34 2HB LYS 34 5.489 -7.360 -1.813 230 HG2 LYS 34 1HG LYS 34 3.241 -7.240 -1.267 231 HG3 LYS 34 2HG LYS 34 2.740 -6.946 -2.920 232 HD2 LYS 34 1HD LYS 34 2.232 -9.137 -3.190 233 HD3 LYS 34 2HD LYS 34 3.883 -9.592 -2.816 234 HE2 LYS 34 1HE LYS 34 3.152 -9.199 -0.299 235 HE3 LYS 34 2HE LYS 34 1.522 -9.338 -0.927 236 HZ1 LYS 34 1HZ LYS 34 3.623 -11.343 -1.372 237 HZ2 LYS 34 2HZ LYS 34 2.481 -11.449 -0.210 238 HZ3 LYS 34 3HZ LYS 34 2.049 -11.479 -1.785 239 H GLU 35 H GLU 35 6.555 -6.959 -5.212 240 HA GLU 35 HA GLU 35 9.010 -6.321 -4.213 241 HB2 GLU 35 1HB GLU 35 8.358 -6.428 -7.184 242 HB3 GLU 35 2HB GLU 35 9.873 -6.851 -6.411 243 HG2 GLU 35 1HG GLU 35 8.352 -8.591 -5.071 244 HG3 GLU 35 2HG GLU 35 7.261 -8.376 -6.425 245 H VAL 36 H VAL 36 6.635 -4.283 -5.829 246 HA VAL 36 HA VAL 36 8.554 -2.245 -6.500 247 HB VAL 36 HB VAL 36 5.538 -2.106 -6.485 248 HG11 VAL 36 1HG1 VAL 36 7.177 -0.045 -6.788 249 HG12 VAL 36 2HG1 VAL 36 7.297 -0.681 -8.447 250 HG13 VAL 36 3HG1 VAL 36 5.711 -0.217 -7.784 251 HG21 VAL 36 1HG2 VAL 36 5.462 -2.989 -8.674 252 HG22 VAL 36 2HG2 VAL 36 7.229 -2.887 -8.868 253 HG23 VAL 36 3HG2 VAL 36 6.523 -4.093 -7.766 254 H LEU 37 H LEU 37 6.724 -3.268 -3.727 255 HA LEU 37 HA LEU 37 6.969 -0.610 -2.531 256 HB2 LEU 37 1HB LEU 37 5.382 -3.050 -1.727 257 HB3 LEU 37 2HB LEU 37 5.498 -1.589 -0.765 258 HG LEU 37 HG LEU 37 4.109 -2.019 -3.397 259 HD11 LEU 37 1HD1 LEU 37 2.735 -2.377 -1.488 260 HD12 LEU 37 2HD1 LEU 37 3.306 -0.880 -0.712 261 HD13 LEU 37 3HD1 LEU 37 2.286 -0.794 -2.168 262 HD21 LEU 37 1HD2 LEU 37 5.507 -0.067 -3.780 263 HD22 LEU 37 2HD2 LEU 37 3.798 0.408 -3.627 264 HD23 LEU 37 3HD2 LEU 37 4.921 0.676 -2.272 265 H GLN 38 H GLN 38 8.773 -3.379 -2.959 266 HA GLN 38 HA GLN 38 9.605 -4.169 -0.523 267 HB2 GLN 38 1HB GLN 38 10.632 -4.225 -3.246 268 HB3 GLN 38 2HB GLN 38 11.957 -4.010 -2.120 269 HG2 GLN 38 1HG GLN 38 10.165 -5.983 -1.008 270 HG3 GLN 38 2HG GLN 38 10.462 -6.412 -2.682 271 HE21 GLN 38 1HE2 GLN 38 13.018 -5.352 -3.015 272 HE22 GLN 38 2HE2 GLN 38 14.159 -6.260 -2.081 273 HA PRO 39 HA PRO 39 12.605 -0.493 -0.408 274 HB2 PRO 39 1HB PRO 39 12.364 1.524 -2.236 275 HB3 PRO 39 2HB PRO 39 13.494 0.197 -2.417 276 HG2 PRO 39 1HG PRO 39 10.934 0.657 -3.823 277 HG3 PRO 39 2HG PRO 39 12.259 -0.399 -4.272 278 HD2 PRO 39 1HD PRO 39 9.761 -1.183 -3.100 279 HD3 PRO 39 2HD PRO 39 11.130 -2.222 -3.442 280 H TYR 40 H TYR 40 9.352 -0.501 -0.537 281 HA TYR 40 HA TYR 40 9.259 1.996 1.020 282 HB2 TYR 40 1HB TYR 40 7.196 0.569 -0.774 283 HB3 TYR 40 2HB TYR 40 6.857 2.037 0.121 284 HD1 TYR 40 1HD TYR 40 7.888 4.190 -0.554 285 HD2 TYR 40 2HD TYR 40 8.469 0.617 -2.834 286 HE1 TYR 40 1HE TYR 40 8.700 5.572 -2.527 287 HE2 TYR 40 2HE TYR 40 9.280 2.011 -4.800 288 HH TYR 40 HH TYR 40 10.303 5.054 -4.548 289 H LYS 41 H LYS 41 9.773 -0.913 1.822 290 HA LYS 41 HA LYS 41 7.337 -1.650 3.165 291 HB2 LYS 41 1HB LYS 41 10.120 -2.848 3.111 292 HB3 LYS 41 2HB LYS 41 8.794 -3.514 4.043 293 HG2 LYS 41 1HG LYS 41 7.435 -3.564 1.853 294 HG3 LYS 41 2HG LYS 41 8.925 -3.176 1.015 295 HD2 LYS 41 1HD LYS 41 9.058 -5.486 0.908 296 HD3 LYS 41 2HD LYS 41 9.871 -5.247 2.442 297 HE2 LYS 41 1HE LYS 41 8.187 -6.244 3.627 298 HE3 LYS 41 2HE LYS 41 6.935 -5.391 2.745 299 HZ1 LYS 41 1HZ LYS 41 7.888 -7.999 2.350 300 HZ2 LYS 41 2HZ LYS 41 6.578 -7.276 1.695 301 HZ3 LYS 41 3HZ LYS 41 8.033 -7.148 0.964 302 H ASP 42 H ASP 42 10.536 -0.205 3.946 303 HA ASP 42 HA ASP 42 9.882 -0.146 6.721 304 HB2 ASP 42 1HB ASP 42 12.203 0.564 4.981 305 HB3 ASP 42 2HB ASP 42 12.044 1.545 6.425 306 H ARG 43 H ARG 43 9.201 1.708 3.899 307 HA ARG 43 HA ARG 43 9.343 4.273 5.009 308 HB2 ARG 43 1HB ARG 43 8.033 3.045 2.565 309 HB3 ARG 43 2HB ARG 43 7.632 4.696 2.998 310 HG2 ARG 43 1HG ARG 43 10.471 4.515 3.205 311 HG3 ARG 43 2HG ARG 43 10.051 3.668 1.729 312 HD2 ARG 43 1HD ARG 43 8.444 6.051 1.806 313 HD3 ARG 43 2HD ARG 43 10.079 6.526 2.223 314 HE ARG 43 HE ARG 43 9.163 5.654 -0.378 315 HH11 ARG 43 2HH2 ARG 43 11.955 5.556 1.761 316 HH12 ARG 43 1HH2 ARG 43 13.098 5.391 0.471 317 HH21 ARG 43 2HH1 ARG 43 10.671 5.436 -2.081 318 HH22 ARG 43 1HH1 ARG 43 12.363 5.322 -1.730 319 H PHE 44 H PHE 44 7.018 1.633 5.142 320 HA PHE 44 HA PHE 44 5.448 3.046 7.042 321 HB2 PHE 44 1HB PHE 44 3.328 2.669 5.545 322 HB3 PHE 44 2HB PHE 44 4.365 4.012 5.103 323 HD1 PHE 44 1HD PHE 44 3.854 0.397 4.339 324 HD2 PHE 44 2HD PHE 44 5.092 4.197 2.912 325 HE1 PHE 44 1HE PHE 44 4.092 -0.549 2.026 326 HE2 PHE 44 2HE PHE 44 5.330 3.251 0.599 327 HZ PHE 44 HZ PHE 44 4.827 0.890 0.184 328 H ILE 45 H ILE 45 3.155 1.529 7.131 329 HA ILE 45 HA ILE 45 4.276 -1.138 7.567 330 HB ILE 45 HB ILE 45 1.874 0.268 8.734 331 HG12 ILE 45 1HG1 ILE 45 4.229 -0.740 10.297 332 HG13 ILE 45 2HG1 ILE 45 4.368 0.774 9.427 333 HG21 ILE 45 1HG2 ILE 45 1.011 -1.706 9.251 334 HG22 ILE 45 2HG2 ILE 45 2.360 -2.538 8.440 335 HG23 ILE 45 3HG2 ILE 45 2.487 -2.104 10.162 336 HD11 ILE 45 1HD1 ILE 45 3.587 1.121 11.767 337 HD12 ILE 45 2HD1 ILE 45 2.371 1.665 10.586 338 HD13 ILE 45 3HD1 ILE 45 2.159 0.113 11.430 339 H LEU 46 H LEU 46 4.102 -2.239 5.644 340 HA LEU 46 HA LEU 46 1.806 -1.901 3.983 341 HB2 LEU 46 1HB LEU 46 4.063 -2.326 3.116 342 HB3 LEU 46 2HB LEU 46 4.068 -3.902 3.883 343 HG LEU 46 HG LEU 46 2.169 -4.601 2.459 344 HD11 LEU 46 1HD1 LEU 46 2.088 -2.840 0.354 345 HD12 LEU 46 2HD1 LEU 46 0.877 -2.964 1.652 346 HD13 LEU 46 3HD1 LEU 46 2.176 -1.752 1.760 347 HD21 LEU 46 1HD2 LEU 46 4.859 -4.290 1.744 348 HD22 LEU 46 2HD2 LEU 46 3.663 -5.390 1.019 349 HD23 LEU 46 3HD2 LEU 46 3.929 -3.776 0.317 350 H GLN 47 H GLN 47 -0.151 -2.623 4.646 351 HA GLN 47 HA GLN 47 -0.203 -5.025 6.249 352 HB2 GLN 47 1HB GLN 47 -1.539 -2.749 6.628 353 HB3 GLN 47 2HB GLN 47 -2.675 -3.461 5.499 354 HG2 GLN 47 1HG GLN 47 -2.589 -5.583 7.004 355 HG3 GLN 47 2HG GLN 47 -1.781 -4.575 8.189 356 HE21 GLN 47 1HE2 GLN 47 -2.888 -2.331 8.436 357 HE22 GLN 47 2HE2 GLN 47 -4.601 -2.360 8.689 358 H GLU 48 H GLU 48 0.034 -6.817 4.918 359 HA GLU 48 HA GLU 48 -1.266 -6.848 2.383 360 HB2 GLU 48 1HB GLU 48 0.716 -8.497 3.843 361 HB3 GLU 48 2HB GLU 48 -0.370 -9.437 2.840 362 HG2 GLU 48 1HG GLU 48 0.368 -8.447 0.852 363 HG3 GLU 48 2HG GLU 48 0.809 -6.942 1.634 364 H VAL 49 H VAL 49 -3.491 -6.992 2.440 365 HA VAL 49 HA VAL 49 -4.705 -8.748 4.410 366 HB VAL 49 HB VAL 49 -5.818 -6.777 2.406 367 HG11 VAL 49 1HG1 VAL 49 -7.689 -8.039 2.566 368 HG12 VAL 49 2HG1 VAL 49 -7.140 -8.857 4.048 369 HG13 VAL 49 3HG1 VAL 49 -7.863 -7.233 4.144 370 HG21 VAL 49 1HG2 VAL 49 -5.156 -6.673 5.330 371 HG22 VAL 49 2HG2 VAL 49 -4.910 -5.452 4.059 372 HG23 VAL 49 3HG2 VAL 49 -6.538 -5.730 4.721 373 H ASP 50 H ASP 50 -5.780 -10.661 3.926 374 HA ASP 50 HA ASP 50 -5.203 -11.658 1.277 375 HB2 ASP 50 1HB ASP 50 -5.796 -12.852 3.970 376 HB3 ASP 50 2HB ASP 50 -6.307 -13.785 2.577 377 H ILE 51 H ILE 51 -6.881 -11.068 -0.145 378 HA ILE 51 HA ILE 51 -9.587 -10.931 0.833 379 HB ILE 51 HB ILE 51 -10.095 -10.158 -1.430 380 HG12 ILE 51 1HG1 ILE 51 -7.165 -10.256 -2.116 381 HG13 ILE 51 2HG1 ILE 51 -8.192 -11.641 -2.428 382 HG21 ILE 51 1HG2 ILE 51 -9.303 -8.050 -1.075 383 HG22 ILE 51 2HG2 ILE 51 -8.959 -8.761 0.520 384 HG23 ILE 51 3HG2 ILE 51 -7.658 -8.606 -0.685 385 HD11 ILE 51 1HD1 ILE 51 -8.390 -10.455 -4.439 386 HD12 ILE 51 2HD1 ILE 51 -9.807 -9.857 -3.543 387 HD13 ILE 51 3HD1 ILE 51 -8.327 -8.871 -3.628 388 H THR 52 H THR 52 -7.460 -13.333 -0.395 389 HA THR 52 HA THR 52 -9.386 -14.863 -1.834 390 HB THR 52 HB THR 52 -7.542 -16.566 -1.747 391 HG1 THR 52 1HG THR 52 -6.283 -16.334 0.056 392 HG21 THR 52 1HG2 THR 52 -7.235 -13.829 -2.715 393 HG22 THR 52 2HG2 THR 52 -5.673 -14.434 -2.114 394 HG23 THR 52 3HG2 THR 52 -6.543 -15.326 -3.386 395 H LEU 53 H LEU 53 -9.192 -14.071 1.423 396 HA LEU 53 HA LEU 53 -9.971 -16.669 2.403 397 HB2 LEU 53 1HB LEU 53 -9.507 -13.966 3.626 398 HB3 LEU 53 2HB LEU 53 -10.319 -15.231 4.529 399 HG LEU 53 HG LEU 53 -7.548 -15.477 3.325 400 HD11 LEU 53 1HD1 LEU 53 -7.218 -13.935 5.014 401 HD12 LEU 53 2HD1 LEU 53 -8.496 -14.624 6.044 402 HD13 LEU 53 3HD1 LEU 53 -6.946 -15.478 5.858 403 HD21 LEU 53 1HD2 LEU 53 -9.230 -17.331 5.008 404 HD22 LEU 53 2HD2 LEU 53 -8.411 -17.652 3.461 405 HD23 LEU 53 3HD2 LEU 53 -7.455 -17.452 4.949 406 HA PRO 54 HA PRO 54 -14.232 -16.066 2.103 407 HB2 PRO 54 1HB PRO 54 -15.211 -17.382 4.289 408 HB3 PRO 54 2HB PRO 54 -14.687 -18.202 2.831 409 HG2 PRO 54 1HG PRO 54 -13.318 -18.010 5.444 410 HG3 PRO 54 2HG PRO 54 -13.038 -19.146 4.139 411 HD2 PRO 54 1HD PRO 54 -11.428 -16.868 4.806 412 HD3 PRO 54 2HD PRO 54 -11.215 -17.936 3.433 413 H GLU 55 H GLU 55 -12.979 -15.289 5.283 414 HA GLU 55 HA GLU 55 -15.189 -13.743 5.991 415 HB2 GLU 55 1HB GLU 55 -13.733 -12.895 7.801 416 HB3 GLU 55 2HB GLU 55 -13.591 -14.634 7.642 417 HG2 GLU 55 1HG GLU 55 -11.514 -14.322 6.258 418 HG3 GLU 55 2HG GLU 55 -11.649 -12.588 6.468 419 H ASN 56 H ASN 56 -12.107 -13.030 4.290 420 HA ASN 56 HA ASN 56 -12.733 -10.235 4.244 421 HB2 ASN 56 1HB ASN 56 -10.491 -11.848 2.913 422 HB3 ASN 56 2HB ASN 56 -10.591 -10.098 2.889 423 HD21 ASN 56 1HD2 ASN 56 -8.722 -12.163 4.097 424 HD22 ASN 56 2HD2 ASN 56 -8.499 -11.671 5.743 425 H SER 57 H SER 57 -14.048 -12.811 2.726 426 HA SER 57 HA SER 57 -13.745 -12.679 0.089 427 HB2 SER 57 1HB SER 57 -15.270 -14.261 1.108 428 HB3 SER 57 2HB SER 57 -16.309 -12.980 1.701 429 HG SER 57 HG SER 57 -15.816 -13.397 -1.117 430 H THR 58 H THR 58 -15.170 -10.220 2.188 431 HA THR 58 HA THR 58 -16.620 -8.818 0.209 432 HB THR 58 HB THR 58 -15.502 -8.222 2.979 433 HG1 THR 58 1HG THR 58 -18.062 -8.535 1.584 434 HG21 THR 58 1HG2 THR 58 -15.511 -6.019 1.914 435 HG22 THR 58 2HG2 THR 58 -17.052 -6.372 1.096 436 HG23 THR 58 3HG2 THR 58 -17.011 -6.157 2.863 437 H TRP 59 H TRP 59 -13.379 -8.121 1.693 438 HA TRP 59 HA TRP 59 -12.695 -5.974 0.204 439 HB2 TRP 59 1HB TRP 59 -11.115 -8.245 1.350 440 HB3 TRP 59 2HB TRP 59 -10.307 -7.056 0.347 441 HD1 TRP 59 HD TRP 59 -11.286 -7.596 3.881 442 HE1 TRP 59 1HE TRP 59 -11.014 -5.446 5.387 443 HE3 TRP 59 3HE TRP 59 -10.735 -4.325 0.027 444 HZ2 TRP 59 2HZ TRP 59 -10.608 -2.681 4.810 445 HZ3 TRP 59 3HZ TRP 59 -10.405 -1.918 0.585 446 HH2 TRP 59 HH TRP 59 -10.337 -1.080 2.880 447 H TYR 60 H TYR 60 -12.899 -9.406 -0.765 448 HA TYR 60 HA TYR 60 -11.604 -8.967 -3.285 449 HB2 TYR 60 1HB TYR 60 -11.808 -11.112 -1.787 450 HB3 TYR 60 2HB TYR 60 -13.480 -11.201 -2.303 451 HD1 TYR 60 1HD TYR 60 -14.018 -11.622 -4.722 452 HD2 TYR 60 2HD TYR 60 -10.024 -11.854 -3.207 453 HE1 TYR 60 1HE TYR 60 -13.306 -12.933 -6.780 454 HE2 TYR 60 2HE TYR 60 -9.325 -13.165 -5.270 455 HH TYR 60 HH TYR 60 -10.843 -14.770 -6.981 456 H GLU 61 H GLU 61 -15.004 -9.668 -2.204 457 HA GLU 61 HA GLU 61 -16.140 -9.596 -4.678 458 HB2 GLU 61 1HB GLU 61 -17.208 -8.855 -1.932 459 HB3 GLU 61 2HB GLU 61 -18.239 -8.821 -3.348 460 HG2 GLU 61 1HG GLU 61 -16.890 -11.303 -3.522 461 HG3 GLU 61 2HG GLU 61 -17.264 -11.129 -1.819 462 H ARG 62 H ARG 62 -14.676 -7.014 -2.883 463 HA ARG 62 HA ARG 62 -16.132 -5.054 -4.444 464 HB2 ARG 62 1HB ARG 62 -15.252 -3.388 -2.874 465 HB3 ARG 62 2HB ARG 62 -15.925 -4.718 -1.952 466 HG2 ARG 62 1HG ARG 62 -13.730 -5.639 -1.494 467 HG3 ARG 62 2HG ARG 62 -12.967 -4.593 -2.675 468 HD2 ARG 62 1HD ARG 62 -14.155 -3.813 0.017 469 HD3 ARG 62 2HD ARG 62 -12.504 -3.602 -0.532 470 HE ARG 62 HE ARG 62 -13.867 -2.109 -2.370 471 HH11 ARG 62 2HH2 ARG 62 -14.055 -2.222 1.142 472 HH12 ARG 62 1HH2 ARG 62 -14.533 -0.565 1.297 473 HH21 ARG 62 2HH1 ARG 62 -14.497 0.078 -2.166 474 HH22 ARG 62 1HH1 ARG 62 -14.786 0.752 -0.597 475 H TYR 63 H TYR 63 -12.967 -6.578 -3.930 476 HA TYR 63 HA TYR 63 -11.954 -5.093 -6.238 477 HB2 TYR 63 1HB TYR 63 -10.663 -5.610 -3.489 478 HB3 TYR 63 2HB TYR 63 -9.742 -5.039 -4.866 479 HD1 TYR 63 2HD TYR 63 -11.368 -2.976 -6.075 480 HD2 TYR 63 1HD TYR 63 -10.853 -3.902 -1.930 481 HE1 TYR 63 2HE TYR 63 -11.947 -0.578 -5.460 482 HE2 TYR 63 1HE TYR 63 -11.433 -1.500 -1.329 483 HH TYR 63 HH TYR 63 -12.463 0.359 -2.152 484 H LYS 64 H LYS 64 -12.608 -7.197 -7.260 485 HA LYS 64 HA LYS 64 -10.602 -9.265 -6.677 486 HB2 LYS 64 1HB LYS 64 -12.222 -10.901 -7.502 487 HB3 LYS 64 2HB LYS 64 -12.852 -10.013 -6.129 488 HG2 LYS 64 1HG LYS 64 -13.983 -8.433 -7.829 489 HG3 LYS 64 2HG LYS 64 -13.543 -9.591 -9.068 490 HD2 LYS 64 1HD LYS 64 -15.059 -11.187 -8.326 491 HD3 LYS 64 2HD LYS 64 -14.910 -10.712 -6.646 492 HE2 LYS 64 1HE LYS 64 -16.054 -8.441 -7.636 493 HE3 LYS 64 2HE LYS 64 -16.695 -9.597 -8.785 494 HZ1 LYS 64 1HZ LYS 64 -18.146 -10.142 -7.242 495 HZ2 LYS 64 2HZ LYS 64 -16.949 -10.757 -6.317 496 HZ3 LYS 64 3HZ LYS 64 -17.426 -9.209 -6.112 497 H PHE 65 H PHE 65 -11.357 -6.739 -8.720 498 HA PHE 65 HA PHE 65 -9.843 -8.013 -10.865 499 HB2 PHE 65 1HB PHE 65 -11.573 -6.459 -12.286 500 HB3 PHE 65 2HB PHE 65 -11.964 -8.120 -11.889 501 HD1 PHE 65 1HD PHE 65 -12.325 -4.671 -10.515 502 HD2 PHE 65 2HD PHE 65 -13.958 -8.577 -10.802 503 HE1 PHE 65 1HE PHE 65 -14.387 -3.898 -9.311 504 HE2 PHE 65 2HE PHE 65 -16.020 -7.804 -9.598 505 HZ PHE 65 HZ PHE 65 -16.210 -5.473 -8.867 506 H ASP 66 H ASP 66 -9.706 -5.806 -8.560 507 HA ASP 66 HA ASP 66 -8.741 -3.708 -10.339 508 HB2 ASP 66 1HB ASP 66 -9.362 -3.403 -7.374 509 HB3 ASP 66 2HB ASP 66 -9.150 -2.126 -8.555 510 H ILE 67 H ILE 67 -8.182 -5.666 -7.352 511 HA ILE 67 HA ILE 67 -5.929 -4.706 -6.321 512 HB ILE 67 HB ILE 67 -5.271 -7.165 -5.989 513 HG12 ILE 67 1HG1 ILE 67 -7.815 -7.462 -7.581 514 HG13 ILE 67 2HG1 ILE 67 -6.274 -8.265 -7.812 515 HG21 ILE 67 1HG2 ILE 67 -6.411 -5.839 -4.306 516 HG22 ILE 67 2HG2 ILE 67 -7.978 -6.136 -5.096 517 HG23 ILE 67 3HG2 ILE 67 -7.085 -7.486 -4.355 518 HD11 ILE 67 1HD1 ILE 67 -7.504 -9.952 -6.757 519 HD12 ILE 67 2HD1 ILE 67 -6.709 -9.192 -5.357 520 HD13 ILE 67 3HD1 ILE 67 -8.403 -8.801 -5.739 521 HA PRO 68 HA PRO 68 -4.127 -5.662 -5.588 522 HB2 PRO 68 1HB PRO 68 -1.675 -4.515 -5.218 523 HB3 PRO 68 2HB PRO 68 -1.905 -6.240 -5.424 524 HG2 PRO 68 1HG PRO 68 -0.858 -4.265 -7.359 525 HG3 PRO 68 2HG PRO 68 -0.703 -6.011 -7.380 526 HD2 PRO 68 1HD PRO 68 -2.473 -4.425 -8.986 527 HD3 PRO 68 2HD PRO 68 -2.400 -6.175 -8.923 528 H VAL 69 H VAL 69 -5.120 -4.344 -4.185 529 HA VAL 69 HA VAL 69 -5.256 -1.571 -5.089 530 HB VAL 69 HB VAL 69 -6.890 -3.163 -3.104 531 HG11 VAL 69 1HG1 VAL 69 -6.854 -0.872 -2.368 532 HG12 VAL 69 2HG1 VAL 69 -7.153 -0.282 -4.020 533 HG13 VAL 69 3HG1 VAL 69 -8.423 -1.178 -3.152 534 HG21 VAL 69 1HG2 VAL 69 -8.055 -3.855 -4.873 535 HG22 VAL 69 2HG2 VAL 69 -8.453 -2.162 -5.252 536 HG23 VAL 69 3HG2 VAL 69 -7.007 -2.917 -5.965 537 H PHE 70 H PHE 70 -4.524 0.154 -3.843 538 HA PHE 70 HA PHE 70 -3.147 -0.622 -1.368 539 HB2 PHE 70 1HB PHE 70 -2.456 1.474 -3.516 540 HB3 PHE 70 2HB PHE 70 -1.528 1.232 -2.050 541 HD1 PHE 70 1HD PHE 70 -2.404 -0.205 -5.311 542 HD2 PHE 70 2HD PHE 70 -0.021 -0.635 -1.827 543 HE1 PHE 70 1HE PHE 70 -1.002 -1.927 -6.482 544 HE2 PHE 70 2HE PHE 70 1.381 -2.357 -2.998 545 HZ PHE 70 HZ PHE 70 0.873 -2.982 -5.312 546 H HIS 71 H HIS 71 -4.005 0.339 0.407 547 HA HIS 71 HA HIS 71 -5.362 2.900 -0.032 548 HB2 HIS 71 1HB HIS 71 -5.967 0.708 1.971 549 HB3 HIS 71 2HB HIS 71 -6.728 2.287 1.973 550 HD1 HIS 71 1HD HIS 71 -8.811 0.351 1.695 551 HD2 HIS 71 2HD HIS 71 -6.509 1.384 -1.657 552 HE1 HIS 71 1HE HIS 71 -10.183 -0.320 -0.350 553 H LEU 72 H LEU 72 -4.285 4.613 0.794 554 HA LEU 72 HA LEU 72 -2.417 4.063 2.986 555 HB2 LEU 72 1HB LEU 72 -2.081 5.356 0.535 556 HB3 LEU 72 2HB LEU 72 -2.166 6.655 1.709 557 HG LEU 72 HG LEU 72 -0.174 4.396 1.551 558 HD11 LEU 72 1HD1 LEU 72 0.755 6.069 0.333 559 HD12 LEU 72 2HD1 LEU 72 -0.141 7.348 1.186 560 HD13 LEU 72 3HD1 LEU 72 1.285 6.602 1.947 561 HD21 LEU 72 1HD2 LEU 72 -1.136 5.782 3.961 562 HD22 LEU 72 2HD2 LEU 72 -0.232 4.258 3.786 563 HD23 LEU 72 3HD2 LEU 72 0.630 5.815 3.745 564 H ASN 73 H ASN 73 -2.972 4.718 4.990 565 HA ASN 73 HA ASN 73 -3.936 5.783 6.613 566 HB2 ASN 73 1HB ASN 73 -3.977 7.907 4.469 567 HB3 ASN 73 2HB ASN 73 -4.971 8.194 5.884 568 HD21 ASN 73 1HD2 ASN 73 -1.806 8.039 4.575 569 HD22 ASN 73 2HD2 ASN 73 -0.904 8.508 5.978 570 H GLY 74 H GLY 74 -5.515 3.849 5.482 571 HA2 GLY 74 1HA GLY 74 -7.616 3.133 5.116 572 HA3 GLY 74 2HA GLY 74 -8.095 4.401 6.227 573 H GLN 75 H GLN 75 -6.553 4.750 2.973 574 HA GLN 75 HA GLN 75 -9.054 5.553 1.847 575 HB2 GLN 75 1HB GLN 75 -8.190 7.622 3.025 576 HB3 GLN 75 2HB GLN 75 -6.778 7.577 1.987 577 HG2 GLN 75 1HG GLN 75 -7.968 8.805 0.492 578 HG3 GLN 75 2HG GLN 75 -8.902 7.358 0.169 579 HE21 GLN 75 1HE2 GLN 75 -10.812 6.949 1.425 580 HE22 GLN 75 2HE2 GLN 75 -11.754 8.260 2.055 581 H PHE 76 H PHE 76 -9.088 4.734 -0.203 582 HA PHE 76 HA PHE 76 -7.110 3.311 -1.334 583 HB2 PHE 76 1HB PHE 76 -9.182 3.196 -2.456 584 HB3 PHE 76 2HB PHE 76 -9.504 4.903 -2.226 585 HD1 PHE 76 2HD PHE 76 -7.061 2.774 -4.096 586 HD2 PHE 76 1HD PHE 76 -9.580 6.189 -4.129 587 HE1 PHE 76 2HE PHE 76 -6.432 3.215 -6.486 588 HE2 PHE 76 1HE PHE 76 -8.951 6.630 -6.518 589 HZ PHE 76 HZ PHE 76 -7.385 5.137 -7.668 590 H LEU 77 H LEU 77 -5.004 3.895 -1.652 591 HA LEU 77 HA LEU 77 -4.396 6.615 -2.393 592 HB2 LEU 77 1HB LEU 77 -2.612 6.158 -1.194 593 HB3 LEU 77 2HB LEU 77 -3.093 4.479 -1.048 594 HG LEU 77 HG LEU 77 -2.000 4.206 -3.403 595 HD11 LEU 77 1HD1 LEU 77 -1.612 6.445 -4.038 596 HD12 LEU 77 2HD1 LEU 77 -0.844 6.840 -2.481 597 HD13 LEU 77 3HD1 LEU 77 -0.014 5.770 -3.636 598 HD21 LEU 77 1HD2 LEU 77 0.292 4.522 -1.737 599 HD22 LEU 77 2HD2 LEU 77 -1.058 3.949 -0.729 600 HD23 LEU 77 3HD2 LEU 77 -0.577 3.032 -2.177 601 H MET 78 H MET 78 -4.203 3.297 -3.809 602 HA MET 78 HA MET 78 -4.730 4.255 -6.359 603 HB2 MET 78 1HB MET 78 -2.563 4.082 -7.440 604 HB3 MET 78 2HB MET 78 -2.299 5.062 -6.011 605 HG2 MET 78 1HG MET 78 -1.681 2.835 -4.803 606 HG3 MET 78 2HG MET 78 -1.613 2.119 -6.400 607 HE1 MET 78 1HE MET 78 0.901 3.090 -3.927 608 HE2 MET 78 2HE MET 78 0.673 1.683 -4.992 609 HE3 MET 78 3HE MET 78 2.097 2.731 -5.195 610 H MET 79 H MET 79 -4.949 2.503 -7.918 611 HA MET 79 HA MET 79 -4.283 -0.122 -6.927 612 HB2 MET 79 1HB MET 79 -6.617 -0.938 -7.285 613 HB3 MET 79 2HB MET 79 -6.600 0.340 -6.086 614 HG2 MET 79 1HG MET 79 -7.368 1.989 -7.720 615 HG3 MET 79 2HG MET 79 -7.153 0.862 -9.044 616 HE1 MET 79 1HE MET 79 -9.021 2.167 -6.231 617 HE2 MET 79 2HE MET 79 -10.167 2.439 -7.566 618 HE3 MET 79 3HE MET 79 -10.604 1.353 -6.225 619 H HIS 80 H HIS 80 -4.706 -1.844 -8.670 620 HA HIS 80 HA HIS 80 -4.839 -2.516 -10.797 621 HB2 HIS 80 1HB HIS 80 -4.717 0.338 -11.780 622 HB3 HIS 80 2HB HIS 80 -5.266 -1.082 -12.648 623 HD1 HIS 80 1HD HIS 80 -6.898 1.663 -11.909 624 HD2 HIS 80 2HD HIS 80 -7.376 -2.151 -10.229 625 HE1 HIS 80 1HE HIS 80 -9.264 1.593 -10.956 626 H ARG 81 H ARG 81 -2.493 -1.230 -9.030 627 HA ARG 81 HA ARG 81 -0.432 -2.401 -10.132 628 HB2 ARG 81 1HB ARG 81 -1.117 -0.052 -11.785 629 HB3 ARG 81 2HB ARG 81 0.536 0.023 -11.209 630 HG2 ARG 81 1HG ARG 81 -0.162 -2.682 -12.138 631 HG3 ARG 81 2HG ARG 81 -0.412 -1.486 -13.395 632 HD2 ARG 81 1HD ARG 81 1.827 -1.313 -13.739 633 HD3 ARG 81 2HD ARG 81 2.092 -0.892 -12.059 634 HE ARG 81 HE ARG 81 2.734 -3.104 -11.624 635 HH11 ARG 81 2HH2 ARG 81 1.041 -2.973 -14.706 636 HH12 ARG 81 1HH2 ARG 81 1.401 -4.617 -15.119 637 HH21 ARG 81 2HH1 ARG 81 3.209 -5.272 -12.168 638 HH22 ARG 81 1HH1 ARG 81 2.642 -5.933 -13.665 639 H VAL 82 H VAL 82 1.767 -0.643 -9.860 640 HA VAL 82 HA VAL 82 1.257 0.634 -7.264 641 HB VAL 82 HB VAL 82 3.750 -0.897 -8.010 642 HG11 VAL 82 1HG1 VAL 82 4.249 -0.781 -5.626 643 HG12 VAL 82 2HG1 VAL 82 3.994 0.855 -6.279 644 HG13 VAL 82 3HG1 VAL 82 2.715 0.070 -5.323 645 HG21 VAL 82 1HG2 VAL 82 2.400 -2.717 -7.858 646 HG22 VAL 82 2HG2 VAL 82 2.620 -2.451 -6.112 647 HG23 VAL 82 3HG2 VAL 82 1.154 -1.854 -6.925 648 H ASN 83 H ASN 83 1.068 2.705 -8.227 649 HA ASN 83 HA ASN 83 3.195 3.550 -9.946 650 HB2 ASN 83 1HB ASN 83 0.567 4.685 -8.984 651 HB3 ASN 83 2HB ASN 83 1.779 5.832 -9.518 652 HD21 ASN 83 1HD2 ASN 83 -0.672 5.456 -10.776 653 HD22 ASN 83 2HD2 ASN 83 -0.430 4.821 -12.369 654 H THR 84 H THR 84 4.951 3.339 -8.282 655 HA THR 84 HA THR 84 5.086 4.309 -5.794 656 HB THR 84 HB THR 84 7.514 4.648 -6.281 657 HG1 THR 84 1HG THR 84 8.067 4.647 -8.580 658 HG21 THR 84 1HG2 THR 84 8.016 2.463 -7.011 659 HG22 THR 84 2HG2 THR 84 6.331 2.253 -6.476 660 HG23 THR 84 3HG2 THR 84 6.696 2.457 -8.206 661 H SER 85 H SER 85 5.737 6.375 -8.708 662 HA SER 85 HA SER 85 6.247 8.688 -7.583 663 HB2 SER 85 1HB SER 85 5.094 7.824 -10.070 664 HB3 SER 85 2HB SER 85 4.204 9.241 -9.550 665 HG SER 85 HG SER 85 5.876 10.227 -10.517 666 H LYS 86 H LYS 86 2.974 7.184 -7.804 667 HA LYS 86 HA LYS 86 1.642 9.402 -6.648 668 HB2 LYS 86 1HB LYS 86 0.889 7.155 -8.038 669 HB3 LYS 86 2HB LYS 86 0.376 6.750 -6.412 670 HG2 LYS 86 1HG LYS 86 -1.240 8.391 -6.360 671 HG3 LYS 86 2HG LYS 86 -0.249 9.545 -7.230 672 HD2 LYS 86 1HD LYS 86 -1.753 9.121 -8.923 673 HD3 LYS 86 2HD LYS 86 -0.669 7.782 -9.249 674 HE2 LYS 86 1HE LYS 86 -2.337 6.305 -8.826 675 HE3 LYS 86 2HE LYS 86 -2.483 6.916 -7.190 676 HZ1 LYS 86 1HZ LYS 86 -3.934 8.641 -8.029 677 HZ2 LYS 86 2HZ LYS 86 -3.799 8.068 -9.552 678 HZ3 LYS 86 3HZ LYS 86 -4.525 7.164 -8.402 679 H LEU 87 H LEU 87 2.632 6.146 -5.375 680 HA LEU 87 HA LEU 87 1.784 6.490 -2.798 681 HB2 LEU 87 1HB LEU 87 2.460 4.371 -3.252 682 HB3 LEU 87 2HB LEU 87 3.868 4.880 -4.164 683 HG LEU 87 HG LEU 87 5.043 5.435 -2.073 684 HD11 LEU 87 1HD1 LEU 87 4.122 4.837 0.100 685 HD12 LEU 87 2HD1 LEU 87 3.089 6.037 -0.713 686 HD13 LEU 87 3HD1 LEU 87 2.598 4.327 -0.665 687 HD21 LEU 87 1HD2 LEU 87 5.546 3.212 -1.407 688 HD22 LEU 87 2HD2 LEU 87 3.946 2.620 -1.918 689 HD23 LEU 87 3HD2 LEU 87 5.130 3.151 -3.137 690 H GLU 88 H GLU 88 5.187 7.064 -3.954 691 HA GLU 88 HA GLU 88 6.191 8.149 -1.747 692 HB2 GLU 88 1HB GLU 88 6.706 9.375 -4.484 693 HB3 GLU 88 2HB GLU 88 7.825 9.256 -3.141 694 HG2 GLU 88 1HG GLU 88 7.274 6.617 -3.422 695 HG3 GLU 88 2HG GLU 88 6.928 7.123 -5.064 696 H LYS 89 H LYS 89 4.386 9.985 -4.311 697 HA LYS 89 HA LYS 89 4.536 12.483 -3.257 698 HB2 LYS 89 1HB LYS 89 3.401 11.524 -5.416 699 HB3 LYS 89 2HB LYS 89 1.954 11.482 -4.430 700 HG2 LYS 89 1HG LYS 89 3.684 13.982 -4.647 701 HG3 LYS 89 2HG LYS 89 2.393 13.647 -5.784 702 HD2 LYS 89 1HD LYS 89 0.989 13.270 -3.505 703 HD3 LYS 89 2HD LYS 89 2.218 14.339 -2.858 704 HE2 LYS 89 1HE LYS 89 1.708 15.973 -4.737 705 HE3 LYS 89 2HE LYS 89 0.395 14.927 -5.238 706 HZ1 LYS 89 1HZ LYS 89 -0.801 15.432 -3.396 707 HZ2 LYS 89 2HZ LYS 89 0.497 15.756 -2.459 708 HZ3 LYS 89 3HZ LYS 89 0.001 16.845 -3.570 709 H GLN 90 H GLN 90 1.997 9.993 -2.510 710 HA GLN 90 HA GLN 90 0.672 11.498 -0.651 711 HB2 GLN 90 1HB GLN 90 1.053 8.486 -0.880 712 HB3 GLN 90 2HB GLN 90 -0.046 9.211 0.276 713 HG2 GLN 90 1HG GLN 90 -0.161 9.458 -2.763 714 HG3 GLN 90 2HG GLN 90 -1.308 8.627 -1.732 715 HE21 GLN 90 1HE2 GLN 90 -0.080 11.701 -2.814 716 HE22 GLN 90 2HE2 GLN 90 -1.369 12.705 -2.241 717 H LEU 91 H LEU 91 3.267 9.009 -0.089 718 HA LEU 91 HA LEU 91 3.492 9.077 2.574 719 HB2 LEU 91 1HB LEU 91 5.578 8.950 0.417 720 HB3 LEU 91 2HB LEU 91 6.031 8.876 2.109 721 HG LEU 91 HG LEU 91 3.956 6.994 1.002 722 HD11 LEU 91 1HD1 LEU 91 5.947 5.364 0.778 723 HD12 LEU 91 2HD1 LEU 91 5.652 6.542 -0.524 724 HD13 LEU 91 3HD1 LEU 91 6.943 6.835 0.667 725 HD21 LEU 91 1HD2 LEU 91 4.074 5.974 2.983 726 HD22 LEU 91 2HD2 LEU 91 5.852 6.034 3.013 727 HD23 LEU 91 3HD2 LEU 91 4.906 7.442 3.551 728 H ARG 92 H ARG 92 5.232 11.402 0.382 729 HA ARG 92 HA ARG 92 6.431 12.933 2.144 730 HB2 ARG 92 1HB ARG 92 5.055 13.479 -0.453 731 HB3 ARG 92 2HB ARG 92 5.395 14.906 0.506 732 HG2 ARG 92 1HG ARG 92 7.808 13.963 0.753 733 HG3 ARG 92 2HG ARG 92 7.382 12.841 -0.523 734 HD2 ARG 92 1HD ARG 92 6.887 14.695 -2.067 735 HD3 ARG 92 2HD ARG 92 7.111 15.873 -0.789 736 HE ARG 92 HE ARG 92 9.507 14.402 -0.874 737 HH11 ARG 92 2HH2 ARG 92 7.669 16.427 -3.088 738 HH12 ARG 92 1HH2 ARG 92 9.064 16.951 -3.971 739 HH21 ARG 92 2HH1 ARG 92 11.349 15.093 -2.038 740 HH22 ARG 92 1HH1 ARG 92 11.171 16.186 -3.369 741 H LYS 93 H LYS 93 2.964 13.409 1.129 742 HA LYS 93 HA LYS 93 2.585 14.935 3.609 743 HB2 LYS 93 1HB LYS 93 1.545 15.262 0.834 744 HB3 LYS 93 2HB LYS 93 0.443 15.631 2.145 745 HG2 LYS 93 1HG LYS 93 2.482 16.993 3.142 746 HG3 LYS 93 2HG LYS 93 3.116 16.916 1.510 747 HD2 LYS 93 1HD LYS 93 1.592 18.425 0.711 748 HD3 LYS 93 2HD LYS 93 0.262 17.690 1.585 749 HE2 LYS 93 1HE LYS 93 1.137 18.776 3.713 750 HE3 LYS 93 2HE LYS 93 2.343 19.602 2.746 751 HZ1 LYS 93 1HZ LYS 93 -0.482 20.076 2.915 752 HZ2 LYS 93 2HZ LYS 93 0.735 21.123 2.614 753 HZ3 LYS 93 3HZ LYS 93 0.144 20.191 1.411 754 H LEU 94 H LEU 94 1.935 13.473 5.131 755 HA LEU 94 HA LEU 94 -0.613 12.261 4.751 756 HB2 LEU 94 1HB LEU 94 1.837 10.673 4.350 757 HB3 LEU 94 2HB LEU 94 0.682 9.976 5.468 758 HG LEU 94 HG LEU 94 0.253 10.669 2.557 759 HD11 LEU 94 1HD1 LEU 94 0.841 8.233 4.059 760 HD12 LEU 94 2HD1 LEU 94 -0.596 8.080 3.020 761 HD13 LEU 94 3HD1 LEU 94 0.963 8.569 2.316 762 HD21 LEU 94 1HD2 LEU 94 -1.731 10.374 4.737 763 HD22 LEU 94 2HD2 LEU 94 -1.834 11.247 3.189 764 HD23 LEU 94 3HD2 LEU 94 -2.072 9.484 3.234 765 H SER 95 H SER 95 2.454 11.924 6.677 766 HA SER 95 HA SER 95 2.859 12.292 8.784 767 HB2 SER 95 1HB SER 95 0.539 13.969 8.345 768 HB3 SER 95 2HB SER 95 0.421 13.257 9.942 769 HG SER 95 HG SER 95 2.971 14.266 9.225 770 H GLY 96 H GLY 96 -0.700 11.495 8.710 771 HA2 GLY 96 1HA GLY 96 -1.522 9.324 9.134 772 HA3 GLY 96 2HA GLY 96 -0.085 8.957 10.067 773 HA PRO 97 HA PRO 97 -3.430 10.362 12.896 774 HB2 PRO 97 1HB PRO 97 -4.022 7.995 14.127 775 HB3 PRO 97 2HB PRO 97 -4.950 8.636 12.787 776 HG2 PRO 97 1HG PRO 97 -3.000 6.414 12.796 777 HG3 PRO 97 2HG PRO 97 -4.229 6.791 11.605 778 HD2 PRO 97 1HD PRO 97 -1.413 7.288 11.381 779 HD3 PRO 97 2HD PRO 97 -2.656 7.768 10.243 780 H SER 98 H SER 98 -1.009 11.153 13.262 781 HA SER 98 HA SER 98 0.479 9.860 15.140 782 HB2 SER 98 1HB SER 98 1.117 11.897 13.763 783 HB3 SER 98 2HB SER 98 0.185 12.883 14.872 784 HG SER 98 HG SER 98 2.131 12.997 15.835 785 H SER 99 H SER 99 -0.144 9.179 17.158 786 HA SER 99 HA SER 99 -0.904 9.227 19.193 787 HB2 SER 99 1HB SER 99 -0.274 11.950 18.730 788 HB3 SER 99 2HB SER 99 -1.864 11.976 19.466 789 HG SER 99 HG SER 99 -0.809 10.356 21.064 790 H GLY 100 H GLY 100 -2.965 9.029 20.342 791 HA2 GLY 100 1HA GLY 100 -5.225 8.956 18.516 792 HA3 GLY 100 2HA GLY 100 -5.128 8.288 20.134 Start of MODEL 7 1 H1 GLY 1 H GLY 1 23.646 29.410 7.427 2 HA2 GLY 1 1HA GLY 1 22.127 28.958 9.091 3 HA3 GLY 1 2HA GLY 1 21.891 30.683 8.892 4 H SER 2 H SER 2 19.829 31.377 8.519 5 HA SER 2 HA SER 2 18.035 29.426 7.301 6 HB2 SER 2 1HB SER 2 17.743 29.992 9.841 7 HB3 SER 2 2HB SER 2 17.114 31.530 9.285 8 HG SER 2 HG SER 2 15.403 30.494 8.235 9 H SER 3 H SER 3 16.295 30.361 5.955 10 HA SER 3 HA SER 3 16.969 33.070 5.106 11 HB2 SER 3 1HB SER 3 16.222 32.403 2.820 12 HB3 SER 3 2HB SER 3 17.606 31.478 3.367 13 HG SER 3 HG SER 3 15.942 30.141 2.376 14 H GLY 4 H GLY 4 15.022 34.198 3.989 15 HA2 GLY 4 1HA GLY 4 12.473 33.293 5.176 16 HA3 GLY 4 2HA GLY 4 13.027 34.947 5.353 17 H SER 5 H SER 5 11.675 32.530 3.157 18 HA SER 5 HA SER 5 11.257 34.690 1.247 19 HB2 SER 5 1HB SER 5 12.903 33.283 0.210 20 HB3 SER 5 2HB SER 5 12.088 31.816 0.714 21 HG SER 5 HG SER 5 10.938 31.876 -1.082 22 H SER 6 H SER 6 10.242 31.292 2.094 23 HA SER 6 HA SER 6 7.567 32.174 2.425 24 HB2 SER 6 1HB SER 6 7.763 31.918 -0.084 25 HB3 SER 6 2HB SER 6 8.147 30.225 0.152 26 HG SER 6 HG SER 6 5.678 31.599 0.710 27 H GLY 7 H GLY 7 7.524 31.213 4.469 28 HA2 GLY 7 1HA GLY 7 6.758 29.156 5.482 29 HA3 GLY 7 2HA GLY 7 7.932 28.283 4.517 30 H ASN 8 H ASN 8 7.776 28.115 7.383 31 HA ASN 8 HA ASN 8 10.293 29.428 8.050 32 HB2 ASN 8 1HB ASN 8 7.714 29.506 9.408 33 HB3 ASN 8 2HB ASN 8 8.883 28.729 10.458 34 HD21 ASN 8 1HD2 ASN 8 8.476 31.525 8.305 35 HD22 ASN 8 2HD2 ASN 8 9.401 32.659 9.232 36 H LEU 9 H LEU 9 11.645 28.129 9.632 37 HA LEU 9 HA LEU 9 11.741 25.427 8.924 38 HB2 LEU 9 1HB LEU 9 13.276 27.318 10.423 39 HB3 LEU 9 2HB LEU 9 13.105 25.858 11.378 40 HG LEU 9 HG LEU 9 15.146 25.814 10.053 41 HD11 LEU 9 1HD1 LEU 9 13.878 23.710 10.557 42 HD12 LEU 9 2HD1 LEU 9 13.196 23.797 8.915 43 HD13 LEU 9 3HD1 LEU 9 14.953 23.617 9.141 44 HD21 LEU 9 1HD2 LEU 9 14.946 25.564 7.538 45 HD22 LEU 9 2HD2 LEU 9 13.286 26.184 7.701 46 HD23 LEU 9 3HD2 LEU 9 14.666 27.194 8.196 47 H SER 10 H SER 10 10.458 23.775 9.528 48 HA SER 10 HA SER 10 9.856 23.254 12.160 49 HB2 SER 10 1HB SER 10 8.327 25.146 12.125 50 HB3 SER 10 2HB SER 10 7.607 24.612 10.619 51 HG SER 10 HG SER 10 6.684 24.064 12.995 52 H ALA 11 H ALA 11 9.966 21.048 11.959 53 HA ALA 11 HA ALA 11 8.174 19.776 10.062 54 HB1 ALA 11 1HB ALA 11 10.888 20.199 9.431 55 HB2 ALA 11 2HB ALA 11 10.790 18.502 9.960 56 HB3 ALA 11 3HB ALA 11 9.761 19.080 8.627 57 H SER 12 H SER 12 7.657 17.595 10.669 58 HA SER 12 HA SER 12 8.970 16.476 12.924 59 HB2 SER 12 1HB SER 12 6.262 17.777 13.194 60 HB3 SER 12 2HB SER 12 6.573 16.308 14.097 61 HG SER 12 HG SER 12 8.517 18.408 14.189 62 H ASN 13 H ASN 13 8.508 14.210 13.105 63 HA ASN 13 HA ASN 13 6.375 13.185 11.477 64 HB2 ASN 13 1HB ASN 13 8.617 13.382 10.097 65 HB3 ASN 13 2HB ASN 13 9.175 12.046 11.084 66 HD21 ASN 13 1HD2 ASN 13 8.376 10.021 10.813 67 HD22 ASN 13 2HD2 ASN 13 7.318 9.546 9.526 68 H ARG 14 H ARG 14 5.493 11.400 12.573 69 HA ARG 14 HA ARG 14 7.246 9.846 14.233 70 HB2 ARG 14 1HB ARG 14 4.904 11.482 15.278 71 HB3 ARG 14 2HB ARG 14 5.370 10.003 16.094 72 HG2 ARG 14 1HG ARG 14 7.829 11.241 15.778 73 HG3 ARG 14 2HG ARG 14 6.774 12.625 15.984 74 HD2 ARG 14 1HD ARG 14 5.822 11.511 18.068 75 HD3 ARG 14 2HD ARG 14 7.023 10.247 17.887 76 HE ARG 14 HE ARG 14 8.143 12.966 17.899 77 HH11 ARG 14 2HH2 ARG 14 7.230 10.186 19.854 78 HH12 ARG 14 1HH2 ARG 14 8.272 10.609 21.171 79 HH21 ARG 14 2HH1 ARG 14 9.518 13.525 19.636 80 HH22 ARG 14 1HH1 ARG 14 9.582 12.521 21.046 81 H ALA 15 H ALA 15 6.585 7.666 14.300 82 HA ALA 15 HA ALA 15 5.442 5.842 13.794 83 HB1 ALA 15 1HB ALA 15 3.714 6.393 15.270 84 HB2 ALA 15 2HB ALA 15 3.208 7.804 14.311 85 HB3 ALA 15 3HB ALA 15 2.836 6.160 13.740 86 H LEU 16 H LEU 16 4.867 4.686 11.924 87 HA LEU 16 HA LEU 16 4.813 6.339 9.523 88 HB2 LEU 16 1HB LEU 16 5.260 3.368 9.834 89 HB3 LEU 16 2HB LEU 16 5.422 4.297 8.356 90 HG LEU 16 HG LEU 16 7.131 4.663 10.833 91 HD11 LEU 16 1HD1 LEU 16 8.306 2.907 10.163 92 HD12 LEU 16 2HD1 LEU 16 7.255 2.697 8.742 93 HD13 LEU 16 3HD1 LEU 16 8.676 3.764 8.648 94 HD21 LEU 16 1HD2 LEU 16 8.222 5.707 8.361 95 HD22 LEU 16 2HD2 LEU 16 6.648 6.448 8.736 96 HD23 LEU 16 3HD2 LEU 16 7.968 6.511 9.929 97 HA PRO 17 HA PRO 17 0.684 5.391 8.707 98 HB2 PRO 17 1HB PRO 17 0.588 5.423 5.976 99 HB3 PRO 17 2HB PRO 17 0.596 6.878 6.951 100 HG2 PRO 17 1HG PRO 17 2.790 5.707 5.353 101 HG3 PRO 17 2HG PRO 17 2.634 7.338 5.974 102 HD2 PRO 17 1HD PRO 17 4.289 5.249 7.034 103 HD3 PRO 17 2HD PRO 17 4.045 6.842 7.721 104 H VAL 18 H VAL 18 -0.951 3.913 7.746 105 HA VAL 18 HA VAL 18 0.341 1.285 7.538 106 HB VAL 18 HB VAL 18 -2.390 2.146 8.499 107 HG11 VAL 18 1HG1 VAL 18 -1.335 -0.690 8.250 108 HG12 VAL 18 2HG1 VAL 18 -2.929 -0.186 8.861 109 HG13 VAL 18 3HG1 VAL 18 -2.516 0.056 7.147 110 HG21 VAL 18 1HG2 VAL 18 -1.084 2.428 10.350 111 HG22 VAL 18 2HG2 VAL 18 -1.388 0.681 10.506 112 HG23 VAL 18 3HG2 VAL 18 0.142 1.258 9.803 113 H LEU 19 H LEU 19 0.572 0.664 5.451 114 HA LEU 19 HA LEU 19 -1.405 1.611 3.530 115 HB2 LEU 19 1HB LEU 19 0.955 1.991 3.055 116 HB3 LEU 19 2HB LEU 19 1.279 0.272 3.167 117 HG LEU 19 HG LEU 19 -0.563 0.146 1.250 118 HD11 LEU 19 1HD1 LEU 19 -0.803 1.990 -0.116 119 HD12 LEU 19 2HD1 LEU 19 -0.795 2.734 1.501 120 HD13 LEU 19 3HD1 LEU 19 0.673 2.775 0.495 121 HD21 LEU 19 1HD2 LEU 19 2.209 -0.047 1.392 122 HD22 LEU 19 2HD2 LEU 19 1.166 -0.567 0.046 123 HD23 LEU 19 3HD2 LEU 19 1.913 1.048 0.021 124 H THR 20 H THR 20 -3.158 0.366 3.183 125 HA THR 20 HA THR 20 -3.088 -2.420 3.934 126 HB THR 20 HB THR 20 -5.389 -1.050 2.520 127 HG1 THR 20 1HG THR 20 -4.400 -0.695 5.263 128 HG21 THR 20 1HG2 THR 20 -5.928 -3.249 3.357 129 HG22 THR 20 2HG2 THR 20 -5.027 -2.970 4.866 130 HG23 THR 20 3HG2 THR 20 -6.563 -2.120 4.577 131 H LEU 21 H LEU 21 -2.127 -3.878 2.663 132 HA LEU 21 HA LEU 21 -2.348 -3.461 -0.227 133 HB2 LEU 21 1HB LEU 21 -0.115 -3.634 0.238 134 HB3 LEU 21 2HB LEU 21 -0.350 -4.753 1.566 135 HG LEU 21 HG LEU 21 -0.664 -6.602 0.090 136 HD11 LEU 21 1HD1 LEU 21 -0.326 -5.963 -2.498 137 HD12 LEU 21 2HD1 LEU 21 -1.922 -6.088 -1.718 138 HD13 LEU 21 3HD1 LEU 21 -1.162 -4.494 -1.939 139 HD21 LEU 21 1HD2 LEU 21 1.702 -5.205 0.281 140 HD22 LEU 21 2HD2 LEU 21 1.508 -6.854 -0.359 141 HD23 LEU 21 3HD2 LEU 21 1.536 -5.465 -1.472 142 H PHE 22 H PHE 22 -3.865 -4.592 -1.304 143 HA PHE 22 HA PHE 22 -4.855 -7.024 -0.001 144 HB2 PHE 22 1HB PHE 22 -5.974 -4.991 -2.013 145 HB3 PHE 22 2HB PHE 22 -6.794 -6.509 -1.702 146 HD1 PHE 22 1HD PHE 22 -7.508 -6.993 0.716 147 HD2 PHE 22 2HD PHE 22 -6.352 -3.140 -0.635 148 HE1 PHE 22 1HE PHE 22 -8.693 -5.953 2.669 149 HE2 PHE 22 2HE PHE 22 -7.537 -2.100 1.318 150 HZ PHE 22 HZ PHE 22 -8.694 -3.519 2.947 151 H THR 23 H THR 23 -3.659 -8.728 -0.803 152 HA THR 23 HA THR 23 -3.329 -8.821 -3.728 153 HB THR 23 HB THR 23 -1.148 -8.944 -2.893 154 HG1 THR 23 1HG THR 23 -1.471 -10.995 -3.879 155 HG21 THR 23 1HG2 THR 23 -1.653 -8.767 -0.479 156 HG22 THR 23 2HG2 THR 23 -2.321 -10.417 -0.476 157 HG23 THR 23 3HG2 THR 23 -0.580 -10.162 -0.748 158 H LYS 24 H LYS 24 -3.262 -11.154 -4.599 159 HA LYS 24 HA LYS 24 -4.887 -13.016 -3.153 160 HB2 LYS 24 1HB LYS 24 -6.758 -13.081 -4.670 161 HB3 LYS 24 2HB LYS 24 -6.607 -11.464 -4.012 162 HG2 LYS 24 1HG LYS 24 -6.039 -10.534 -6.045 163 HG3 LYS 24 2HG LYS 24 -5.087 -11.920 -6.537 164 HD2 LYS 24 1HD LYS 24 -8.134 -11.716 -6.566 165 HD3 LYS 24 2HD LYS 24 -7.081 -11.735 -7.967 166 HE2 LYS 24 1HE LYS 24 -6.245 -14.052 -6.918 167 HE3 LYS 24 2HE LYS 24 -7.795 -14.005 -6.102 168 HZ1 LYS 24 1HZ LYS 24 -8.199 -15.068 -8.093 169 HZ2 LYS 24 2HZ LYS 24 -8.721 -13.551 -8.395 170 HZ3 LYS 24 3HZ LYS 24 -7.279 -14.050 -8.978 171 H ALA 25 H ALA 25 -5.521 -14.834 -5.047 172 HA ALA 25 HA ALA 25 -3.350 -15.092 -6.925 173 HB1 ALA 25 1HB ALA 25 -2.425 -17.105 -5.992 174 HB2 ALA 25 2HB ALA 25 -2.453 -15.894 -4.687 175 HB3 ALA 25 3HB ALA 25 -3.685 -17.177 -4.738 176 HA PRO 26 HA PRO 26 -2.708 -16.584 -8.089 177 HB2 PRO 26 1HB PRO 26 -2.834 -16.877 -10.803 178 HB3 PRO 26 2HB PRO 26 -2.607 -18.222 -9.704 179 HG2 PRO 26 1HG PRO 26 -5.037 -17.435 -11.192 180 HG3 PRO 26 2HG PRO 26 -4.659 -18.973 -10.443 181 HD2 PRO 26 1HD PRO 26 -6.433 -16.961 -9.429 182 HD3 PRO 26 2HD PRO 26 -5.965 -18.447 -8.626 183 H CYS 27 H CYS 27 -1.434 -14.828 -8.492 184 HA CYS 27 HA CYS 27 -2.471 -12.812 -10.216 185 HB2 CYS 27 1HB CYS 27 -3.763 -12.417 -8.081 186 HB3 CYS 27 2HB CYS 27 -2.241 -12.073 -7.283 187 HG CYS 27 HG CYS 27 -3.222 -10.672 -10.115 188 HA PRO 28 HA PRO 28 1.982 -12.913 -10.022 189 HB2 PRO 28 1HB PRO 28 2.426 -12.192 -12.620 190 HB3 PRO 28 2HB PRO 28 2.235 -13.856 -12.107 191 HG2 PRO 28 1HG PRO 28 0.313 -12.126 -13.539 192 HG3 PRO 28 2HG PRO 28 0.322 -13.872 -13.396 193 HD2 PRO 28 1HD PRO 28 -1.370 -12.042 -11.976 194 HD3 PRO 28 2HD PRO 28 -1.280 -13.778 -11.749 195 H LEU 29 H LEU 29 -0.223 -10.438 -10.519 196 HA LEU 29 HA LEU 29 1.733 -8.376 -10.823 197 HB2 LEU 29 1HB LEU 29 -1.175 -8.141 -10.049 198 HB3 LEU 29 2HB LEU 29 -0.138 -6.874 -10.674 199 HG LEU 29 HG LEU 29 -1.171 -9.299 -12.161 200 HD11 LEU 29 1HD1 LEU 29 -1.941 -7.266 -13.672 201 HD12 LEU 29 2HD1 LEU 29 -2.896 -7.809 -12.271 202 HD13 LEU 29 3HD1 LEU 29 -1.834 -6.388 -12.128 203 HD21 LEU 29 1HD2 LEU 29 0.833 -9.203 -13.213 204 HD22 LEU 29 2HD2 LEU 29 0.023 -7.894 -14.107 205 HD23 LEU 29 3HD2 LEU 29 1.121 -7.506 -12.761 206 H CYS 30 H CYS 30 -0.333 -9.658 -8.144 207 HA CYS 30 HA CYS 30 0.229 -7.906 -6.194 208 HB2 CYS 30 1HB CYS 30 -0.325 -9.576 -4.626 209 HB3 CYS 30 2HB CYS 30 -1.204 -10.009 -6.079 210 HG CYS 30 HG CYS 30 -0.237 -12.163 -4.892 211 H ASP 31 H ASP 31 2.309 -10.569 -7.462 212 HA ASP 31 HA ASP 31 4.282 -10.467 -5.583 213 HB2 ASP 31 1HB ASP 31 3.957 -11.413 -8.350 214 HB3 ASP 31 2HB ASP 31 5.599 -10.880 -8.051 215 H GLU 32 H GLU 32 4.324 -8.938 -8.903 216 HA GLU 32 HA GLU 32 6.562 -7.462 -8.602 217 HB2 GLU 32 1HB GLU 32 4.883 -7.795 -10.622 218 HB3 GLU 32 2HB GLU 32 4.181 -6.292 -10.055 219 HG2 GLU 32 1HG GLU 32 5.994 -5.032 -10.713 220 HG3 GLU 32 2HG GLU 32 7.154 -6.260 -10.247 221 H ALA 33 H ALA 33 3.158 -6.409 -7.881 222 HA ALA 33 HA ALA 33 3.528 -3.870 -7.114 223 HB1 ALA 33 1HB ALA 33 1.881 -5.115 -5.121 224 HB2 ALA 33 2HB ALA 33 1.377 -4.203 -6.564 225 HB3 ALA 33 3HB ALA 33 1.624 -5.962 -6.666 226 H LYS 34 H LYS 34 3.722 -6.633 -4.749 227 HA LYS 34 HA LYS 34 4.699 -5.233 -2.638 228 HB2 LYS 34 1HB LYS 34 5.183 -8.082 -3.527 229 HB3 LYS 34 2HB LYS 34 5.784 -7.463 -2.002 230 HG2 LYS 34 1HG LYS 34 3.504 -6.879 -1.277 231 HG3 LYS 34 2HG LYS 34 2.853 -7.310 -2.846 232 HD2 LYS 34 1HD LYS 34 4.204 -9.633 -2.159 233 HD3 LYS 34 2HD LYS 34 3.670 -9.068 -0.589 234 HE2 LYS 34 1HE LYS 34 1.381 -9.213 -1.156 235 HE3 LYS 34 2HE LYS 34 1.689 -9.073 -2.875 236 HZ1 LYS 34 1HZ LYS 34 2.705 -11.380 -1.411 237 HZ2 LYS 34 2HZ LYS 34 1.144 -11.344 -1.889 238 HZ3 LYS 34 3HZ LYS 34 2.339 -11.252 -2.997 239 H GLU 35 H GLU 35 6.628 -6.820 -5.270 240 HA GLU 35 HA GLU 35 9.088 -6.141 -4.319 241 HB2 GLU 35 1HB GLU 35 8.389 -6.130 -7.278 242 HB3 GLU 35 2HB GLU 35 9.907 -6.594 -6.535 243 HG2 GLU 35 1HG GLU 35 7.947 -8.248 -5.307 244 HG3 GLU 35 2HG GLU 35 7.514 -8.212 -7.004 245 H VAL 36 H VAL 36 6.602 -4.116 -5.766 246 HA VAL 36 HA VAL 36 8.437 -1.995 -6.421 247 HB VAL 36 HB VAL 36 5.427 -1.881 -6.291 248 HG11 VAL 36 1HG1 VAL 36 7.327 -0.466 -8.180 249 HG12 VAL 36 2HG1 VAL 36 5.607 -0.118 -7.878 250 HG13 VAL 36 3HG1 VAL 36 6.818 0.220 -6.618 251 HG21 VAL 36 1HG2 VAL 36 7.038 -3.605 -7.942 252 HG22 VAL 36 2HG2 VAL 36 5.268 -3.421 -7.895 253 HG23 VAL 36 3HG2 VAL 36 6.244 -2.378 -8.957 254 H LEU 37 H LEU 37 6.723 -3.182 -3.638 255 HA LEU 37 HA LEU 37 6.908 -0.566 -2.346 256 HB2 LEU 37 1HB LEU 37 5.455 -3.104 -1.601 257 HB3 LEU 37 2HB LEU 37 5.559 -1.698 -0.561 258 HG LEU 37 HG LEU 37 4.074 -2.030 -3.153 259 HD11 LEU 37 1HD1 LEU 37 2.787 -2.544 -1.228 260 HD12 LEU 37 2HD1 LEU 37 3.355 -1.091 -0.370 261 HD13 LEU 37 3HD1 LEU 37 2.270 -0.930 -1.773 262 HD21 LEU 37 1HD2 LEU 37 5.238 -0.029 -3.619 263 HD22 LEU 37 2HD2 LEU 37 3.626 0.464 -3.046 264 HD23 LEU 37 3HD2 LEU 37 5.030 0.575 -1.957 265 H GLN 38 H GLN 38 8.806 -3.248 -2.938 266 HA GLN 38 HA GLN 38 9.767 -4.075 -0.563 267 HB2 GLN 38 1HB GLN 38 10.683 -4.008 -3.324 268 HB3 GLN 38 2HB GLN 38 12.044 -3.767 -2.247 269 HG2 GLN 38 1HG GLN 38 10.343 -5.856 -1.160 270 HG3 GLN 38 2HG GLN 38 10.685 -6.220 -2.840 271 HE21 GLN 38 1HE2 GLN 38 13.177 -5.049 -3.138 272 HE22 GLN 38 2HE2 GLN 38 14.357 -5.904 -2.202 273 HA PRO 39 HA PRO 39 12.629 -0.292 -0.441 274 HB2 PRO 39 1HB PRO 39 12.266 1.758 -2.212 275 HB3 PRO 39 2HB PRO 39 13.435 0.476 -2.456 276 HG2 PRO 39 1HG PRO 39 10.822 0.878 -3.779 277 HG3 PRO 39 2HG PRO 39 12.169 -0.120 -4.290 278 HD2 PRO 39 1HD PRO 39 9.734 -1.017 -3.069 279 HD3 PRO 39 2HD PRO 39 11.128 -2.000 -3.474 280 H TYR 40 H TYR 40 9.406 -0.464 -0.392 281 HA TYR 40 HA TYR 40 9.251 2.029 1.167 282 HB2 TYR 40 1HB TYR 40 7.180 0.489 -0.521 283 HB3 TYR 40 2HB TYR 40 6.808 1.936 0.395 284 HD1 TYR 40 2HD TYR 40 8.471 0.608 -2.602 285 HD2 TYR 40 1HD TYR 40 7.547 4.140 -0.372 286 HE1 TYR 40 2HE TYR 40 9.099 2.044 -4.604 287 HE2 TYR 40 1HE TYR 40 8.177 5.565 -2.382 288 HH TYR 40 HH TYR 40 9.075 4.050 -5.454 289 H LYS 41 H LYS 41 9.734 -1.105 1.644 290 HA LYS 41 HA LYS 41 7.510 -1.936 3.154 291 HB2 LYS 41 1HB LYS 41 10.394 -2.848 3.045 292 HB3 LYS 41 2HB LYS 41 9.186 -3.627 4.046 293 HG2 LYS 41 1HG LYS 41 8.957 -3.243 1.023 294 HG3 LYS 41 2HG LYS 41 9.450 -4.731 1.806 295 HD2 LYS 41 1HD LYS 41 7.010 -3.925 3.071 296 HD3 LYS 41 2HD LYS 41 6.763 -3.722 1.348 297 HE2 LYS 41 1HE LYS 41 8.144 -6.254 2.119 298 HE3 LYS 41 2HE LYS 41 6.491 -6.119 2.686 299 HZ1 LYS 41 1HZ LYS 41 7.116 -6.938 0.276 300 HZ2 LYS 41 2HZ LYS 41 5.707 -6.182 0.604 301 HZ3 LYS 41 3HZ LYS 41 6.948 -5.347 -0.050 302 H ASP 42 H ASP 42 10.703 -0.480 4.067 303 HA ASP 42 HA ASP 42 9.910 -0.354 6.786 304 HB2 ASP 42 1HB ASP 42 12.321 -0.323 5.463 305 HB3 ASP 42 2HB ASP 42 12.131 1.387 5.793 306 H ARG 43 H ARG 43 9.227 1.438 3.952 307 HA ARG 43 HA ARG 43 9.346 4.032 4.985 308 HB2 ARG 43 1HB ARG 43 8.036 2.707 2.598 309 HB3 ARG 43 2HB ARG 43 7.571 4.350 2.994 310 HG2 ARG 43 1HG ARG 43 10.489 3.515 2.701 311 HG3 ARG 43 2HG ARG 43 9.535 4.067 1.339 312 HD2 ARG 43 1HD ARG 43 10.419 6.110 2.003 313 HD3 ARG 43 2HD ARG 43 8.974 6.112 2.994 314 HE ARG 43 HE ARG 43 11.223 4.795 4.312 315 HH11 ARG 43 2HH2 ARG 43 9.723 7.910 3.656 316 HH12 ARG 43 1HH2 ARG 43 10.428 8.683 5.037 317 HH21 ARG 43 2HH1 ARG 43 12.153 5.815 6.133 318 HH22 ARG 43 1HH1 ARG 43 11.819 7.483 6.455 319 H PHE 44 H PHE 44 6.959 1.400 5.069 320 HA PHE 44 HA PHE 44 5.446 2.810 7.036 321 HB2 PHE 44 1HB PHE 44 3.307 2.485 5.576 322 HB3 PHE 44 2HB PHE 44 4.371 3.789 5.088 323 HD1 PHE 44 1HD PHE 44 4.073 0.113 4.451 324 HD2 PHE 44 2HD PHE 44 4.728 3.979 2.828 325 HE1 PHE 44 1HE PHE 44 4.235 -0.880 2.152 326 HE2 PHE 44 2HE PHE 44 4.891 2.986 0.529 327 HZ PHE 44 HZ PHE 44 4.642 0.569 0.218 328 H ILE 45 H ILE 45 3.186 1.332 7.252 329 HA ILE 45 HA ILE 45 4.276 -1.349 7.637 330 HB ILE 45 HB ILE 45 1.896 0.082 8.820 331 HG12 ILE 45 1HG1 ILE 45 4.215 -0.971 10.395 332 HG13 ILE 45 2HG1 ILE 45 4.430 0.513 9.489 333 HG21 ILE 45 1HG2 ILE 45 1.009 -1.872 9.367 334 HG22 ILE 45 2HG2 ILE 45 2.312 -2.723 8.503 335 HG23 ILE 45 3HG2 ILE 45 2.504 -2.316 10.225 336 HD11 ILE 45 1HD1 ILE 45 1.868 0.597 10.858 337 HD12 ILE 45 2HD1 ILE 45 3.161 0.201 12.016 338 HD13 ILE 45 3HD1 ILE 45 3.266 1.684 11.037 339 H LEU 46 H LEU 46 4.075 -2.477 5.737 340 HA LEU 46 HA LEU 46 1.795 -2.120 4.064 341 HB2 LEU 46 1HB LEU 46 4.053 -2.633 3.233 342 HB3 LEU 46 2HB LEU 46 3.989 -4.198 4.018 343 HG LEU 46 HG LEU 46 2.087 -4.846 2.580 344 HD11 LEU 46 1HD1 LEU 46 2.299 -2.009 1.728 345 HD12 LEU 46 2HD1 LEU 46 1.951 -3.208 0.460 346 HD13 LEU 46 3HD1 LEU 46 0.877 -3.068 1.872 347 HD21 LEU 46 1HD2 LEU 46 3.804 -4.179 0.399 348 HD22 LEU 46 2HD2 LEU 46 4.809 -4.516 1.829 349 HD23 LEU 46 3HD2 LEU 46 3.634 -5.727 1.262 350 H GLN 47 H GLN 47 -0.186 -2.769 4.733 351 HA GLN 47 HA GLN 47 -0.316 -5.141 6.377 352 HB2 GLN 47 1HB GLN 47 -1.583 -2.809 6.703 353 HB3 GLN 47 2HB GLN 47 -2.744 -3.527 5.604 354 HG2 GLN 47 1HG GLN 47 -2.770 -5.584 7.146 355 HG3 GLN 47 2HG GLN 47 -1.824 -4.650 8.287 356 HE21 GLN 47 1HE2 GLN 47 -3.226 -4.357 9.890 357 HE22 GLN 47 2HE2 GLN 47 -4.748 -3.538 9.776 358 H GLU 48 H GLU 48 -0.137 -6.961 5.076 359 HA GLU 48 HA GLU 48 -1.409 -6.993 2.533 360 HB2 GLU 48 1HB GLU 48 0.470 -8.695 4.060 361 HB3 GLU 48 2HB GLU 48 -0.653 -9.615 3.079 362 HG2 GLU 48 1HG GLU 48 0.227 -8.841 1.088 363 HG3 GLU 48 2HG GLU 48 0.543 -7.238 1.723 364 H VAL 49 H VAL 49 -3.619 -7.123 2.449 365 HA VAL 49 HA VAL 49 -4.949 -8.789 4.447 366 HB VAL 49 HB VAL 49 -5.944 -6.698 2.504 367 HG11 VAL 49 1HG1 VAL 49 -7.384 -8.757 4.062 368 HG12 VAL 49 2HG1 VAL 49 -8.008 -7.100 4.245 369 HG13 VAL 49 3HG1 VAL 49 -7.892 -7.835 2.627 370 HG21 VAL 49 1HG2 VAL 49 -6.613 -5.703 4.870 371 HG22 VAL 49 2HG2 VAL 49 -5.256 -6.717 5.419 372 HG23 VAL 49 3HG2 VAL 49 -4.987 -5.460 4.187 373 H ASP 50 H ASP 50 -5.750 -10.771 3.942 374 HA ASP 50 HA ASP 50 -5.364 -11.647 1.246 375 HB2 ASP 50 1HB ASP 50 -6.080 -12.935 3.886 376 HB3 ASP 50 2HB ASP 50 -6.442 -13.811 2.412 377 H ILE 51 H ILE 51 -7.033 -10.964 -0.145 378 HA ILE 51 HA ILE 51 -9.724 -10.759 0.847 379 HB ILE 51 HB ILE 51 -10.205 -10.004 -1.456 380 HG12 ILE 51 1HG1 ILE 51 -7.239 -10.117 -2.001 381 HG13 ILE 51 2HG1 ILE 51 -8.295 -11.447 -2.433 382 HG21 ILE 51 1HG2 ILE 51 -9.484 -7.895 -1.025 383 HG22 ILE 51 2HG2 ILE 51 -9.130 -8.624 0.559 384 HG23 ILE 51 3HG2 ILE 51 -7.827 -8.414 -0.635 385 HD11 ILE 51 1HD1 ILE 51 -8.645 -10.299 -4.370 386 HD12 ILE 51 2HD1 ILE 51 -9.717 -9.264 -3.397 387 HD13 ILE 51 3HD1 ILE 51 -8.027 -8.779 -3.679 388 H THR 52 H THR 52 -7.688 -13.213 -0.468 389 HA THR 52 HA THR 52 -9.685 -14.667 -1.879 390 HB THR 52 HB THR 52 -7.902 -16.432 -1.834 391 HG1 THR 52 1HG THR 52 -6.294 -16.177 -0.285 392 HG21 THR 52 1HG2 THR 52 -6.923 -15.177 -3.479 393 HG22 THR 52 2HG2 THR 52 -7.463 -13.664 -2.713 394 HG23 THR 52 3HG2 THR 52 -5.934 -14.422 -2.206 395 H LEU 53 H LEU 53 -9.192 -14.041 1.453 396 HA LEU 53 HA LEU 53 -10.100 -16.569 2.403 397 HB2 LEU 53 1HB LEU 53 -9.662 -13.862 3.640 398 HB3 LEU 53 2HB LEU 53 -10.402 -15.172 4.540 399 HG LEU 53 HG LEU 53 -7.626 -15.167 3.323 400 HD11 LEU 53 1HD1 LEU 53 -7.457 -15.641 6.061 401 HD12 LEU 53 2HD1 LEU 53 -7.061 -14.129 5.207 402 HD13 LEU 53 3HD1 LEU 53 -8.682 -14.358 5.908 403 HD21 LEU 53 1HD2 LEU 53 -9.264 -17.362 4.539 404 HD22 LEU 53 2HD2 LEU 53 -8.169 -17.393 3.136 405 HD23 LEU 53 3HD2 LEU 53 -7.502 -17.339 4.786 406 HA PRO 54 HA PRO 54 -14.359 -15.951 2.103 407 HB2 PRO 54 1HB PRO 54 -15.330 -17.350 4.240 408 HB3 PRO 54 2HB PRO 54 -14.812 -18.113 2.750 409 HG2 PRO 54 1HG PRO 54 -13.433 -18.022 5.363 410 HG3 PRO 54 2HG PRO 54 -13.159 -19.107 4.014 411 HD2 PRO 54 1HD PRO 54 -11.544 -16.858 4.762 412 HD3 PRO 54 2HD PRO 54 -11.338 -17.872 3.348 413 H GLU 55 H GLU 55 -13.045 -15.249 5.268 414 HA GLU 55 HA GLU 55 -15.280 -13.699 5.996 415 HB2 GLU 55 1HB GLU 55 -14.002 -13.131 7.965 416 HB3 GLU 55 2HB GLU 55 -13.674 -14.812 7.597 417 HG2 GLU 55 1HG GLU 55 -11.586 -14.045 6.338 418 HG3 GLU 55 2HG GLU 55 -11.889 -12.426 6.935 419 H ASN 56 H ASN 56 -12.541 -13.185 3.933 420 HA ASN 56 HA ASN 56 -12.877 -10.306 4.189 421 HB2 ASN 56 1HB ASN 56 -10.645 -11.986 2.932 422 HB3 ASN 56 2HB ASN 56 -10.698 -10.237 2.843 423 HD21 ASN 56 1HD2 ASN 56 -8.731 -11.982 4.069 424 HD22 ASN 56 2HD2 ASN 56 -8.611 -11.548 5.741 425 H SER 57 H SER 57 -14.256 -12.774 2.573 426 HA SER 57 HA SER 57 -13.853 -12.542 -0.065 427 HB2 SER 57 1HB SER 57 -15.536 -13.995 1.330 428 HB3 SER 57 2HB SER 57 -16.674 -12.695 1.040 429 HG SER 57 HG SER 57 -15.344 -14.357 -0.914 430 H THR 58 H THR 58 -15.474 -10.247 2.116 431 HA THR 58 HA THR 58 -16.833 -8.747 0.165 432 HB THR 58 HB THR 58 -15.792 -8.225 2.987 433 HG1 THR 58 1HG THR 58 -18.413 -8.445 1.682 434 HG21 THR 58 1HG2 THR 58 -16.457 -6.036 2.900 435 HG22 THR 58 2HG2 THR 58 -16.457 -6.192 1.127 436 HG23 THR 58 3HG2 THR 58 -17.956 -6.474 2.045 437 H TRP 59 H TRP 59 -13.552 -8.344 1.639 438 HA TRP 59 HA TRP 59 -12.881 -6.015 0.331 439 HB2 TRP 59 1HB TRP 59 -11.340 -8.310 1.471 440 HB3 TRP 59 2HB TRP 59 -10.491 -7.113 0.513 441 HD1 TRP 59 HD TRP 59 -11.203 -7.725 4.004 442 HE1 TRP 59 1HE TRP 59 -11.107 -5.588 5.549 443 HE3 TRP 59 3HE TRP 59 -11.423 -4.334 0.221 444 HZ2 TRP 59 2HZ TRP 59 -11.133 -2.783 5.028 445 HZ3 TRP 59 3HZ TRP 59 -11.382 -1.916 0.826 446 HH2 TRP 59 HH TRP 59 -11.243 -1.122 3.133 447 H TYR 60 H TYR 60 -13.056 -9.401 -0.779 448 HA TYR 60 HA TYR 60 -11.665 -8.859 -3.232 449 HB2 TYR 60 1HB TYR 60 -11.869 -11.063 -1.845 450 HB3 TYR 60 2HB TYR 60 -13.540 -11.144 -2.365 451 HD1 TYR 60 1HD TYR 60 -14.099 -11.594 -4.739 452 HD2 TYR 60 2HD TYR 60 -10.053 -11.624 -3.348 453 HE1 TYR 60 1HE TYR 60 -13.376 -12.824 -6.844 454 HE2 TYR 60 2HE TYR 60 -9.344 -12.853 -5.457 455 HH TYR 60 HH TYR 60 -11.153 -14.516 -7.266 456 H GLU 61 H GLU 61 -15.086 -9.715 -2.336 457 HA GLU 61 HA GLU 61 -16.176 -9.591 -4.786 458 HB2 GLU 61 1HB GLU 61 -17.318 -8.678 -2.115 459 HB3 GLU 61 2HB GLU 61 -18.296 -8.809 -3.563 460 HG2 GLU 61 1HG GLU 61 -16.714 -11.237 -3.220 461 HG3 GLU 61 2HG GLU 61 -17.599 -10.895 -1.747 462 H ARG 62 H ARG 62 -15.004 -6.908 -2.787 463 HA ARG 62 HA ARG 62 -16.288 -4.994 -4.498 464 HB2 ARG 62 1HB ARG 62 -15.401 -3.315 -2.946 465 HB3 ARG 62 2HB ARG 62 -16.096 -4.624 -2.012 466 HG2 ARG 62 1HG ARG 62 -13.863 -5.604 -1.634 467 HG3 ARG 62 2HG ARG 62 -13.124 -4.414 -2.687 468 HD2 ARG 62 1HD ARG 62 -13.999 -4.144 0.135 469 HD3 ARG 62 2HD ARG 62 -12.763 -3.257 -0.737 470 HE ARG 62 HE ARG 62 -14.366 -1.638 -1.370 471 HH11 ARG 62 2HH2 ARG 62 -15.941 -4.398 0.141 472 HH12 ARG 62 1HH2 ARG 62 -17.471 -3.601 0.300 473 HH21 ARG 62 2HH1 ARG 62 -16.384 -0.586 -1.161 474 HH22 ARG 62 1HH1 ARG 62 -17.724 -1.418 -0.446 475 H TYR 63 H TYR 63 -13.078 -6.421 -3.820 476 HA TYR 63 HA TYR 63 -12.043 -4.969 -6.155 477 HB2 TYR 63 1HB TYR 63 -10.799 -5.614 -3.411 478 HB3 TYR 63 2HB TYR 63 -9.842 -5.037 -4.761 479 HD1 TYR 63 2HD TYR 63 -11.394 -2.888 -5.928 480 HD2 TYR 63 1HD TYR 63 -10.932 -3.941 -1.807 481 HE1 TYR 63 2HE TYR 63 -11.895 -0.489 -5.251 482 HE2 TYR 63 1HE TYR 63 -11.434 -1.539 -1.145 483 HH TYR 63 HH TYR 63 -12.889 0.593 -3.067 484 H LYS 64 H LYS 64 -12.876 -7.110 -7.118 485 HA LYS 64 HA LYS 64 -10.957 -9.260 -6.588 486 HB2 LYS 64 1HB LYS 64 -12.596 -10.761 -7.555 487 HB3 LYS 64 2HB LYS 64 -13.322 -9.832 -6.259 488 HG2 LYS 64 1HG LYS 64 -14.129 -8.182 -8.090 489 HG3 LYS 64 2HG LYS 64 -13.654 -9.400 -9.257 490 HD2 LYS 64 1HD LYS 64 -15.508 -10.651 -8.843 491 HD3 LYS 64 2HD LYS 64 -15.237 -10.609 -7.112 492 HE2 LYS 64 1HE LYS 64 -16.081 -8.031 -7.509 493 HE3 LYS 64 2HE LYS 64 -16.941 -8.827 -8.812 494 HZ1 LYS 64 1HZ LYS 64 -17.475 -8.913 -6.072 495 HZ2 LYS 64 2HZ LYS 64 -18.364 -9.515 -7.303 496 HZ3 LYS 64 3HZ LYS 64 -17.210 -10.435 -6.603 497 H PHE 65 H PHE 65 -11.819 -6.726 -8.775 498 HA PHE 65 HA PHE 65 -9.988 -7.898 -10.739 499 HB2 PHE 65 1HB PHE 65 -11.597 -6.590 -12.392 500 HB3 PHE 65 2HB PHE 65 -12.139 -8.139 -11.777 501 HD1 PHE 65 1HD PHE 65 -12.318 -4.504 -10.952 502 HD2 PHE 65 2HD PHE 65 -14.240 -8.286 -10.818 503 HE1 PHE 65 1HE PHE 65 -14.391 -3.419 -10.045 504 HE2 PHE 65 2HE PHE 65 -16.313 -7.200 -9.911 505 HZ PHE 65 HZ PHE 65 -16.364 -4.780 -9.535 506 H ASP 66 H ASP 66 -10.223 -5.641 -8.449 507 HA ASP 66 HA ASP 66 -9.027 -3.596 -10.151 508 HB2 ASP 66 1HB ASP 66 -10.052 -2.813 -7.457 509 HB3 ASP 66 2HB ASP 66 -10.109 -1.926 -8.968 510 H ILE 67 H ILE 67 -7.769 -5.967 -8.820 511 HA ILE 67 HA ILE 67 -6.205 -4.613 -6.737 512 HB ILE 67 HB ILE 67 -5.599 -7.250 -6.491 513 HG12 ILE 67 1HG1 ILE 67 -8.511 -7.112 -7.328 514 HG13 ILE 67 2HG1 ILE 67 -7.224 -7.938 -8.183 515 HG21 ILE 67 1HG2 ILE 67 -6.540 -7.059 -4.427 516 HG22 ILE 67 2HG2 ILE 67 -6.511 -5.339 -4.884 517 HG23 ILE 67 3HG2 ILE 67 -8.016 -6.277 -5.042 518 HD11 ILE 67 1HD1 ILE 67 -7.655 -9.777 -6.937 519 HD12 ILE 67 2HD1 ILE 67 -7.072 -8.889 -5.509 520 HD13 ILE 67 3HD1 ILE 67 -8.803 -8.867 -5.925 521 HA PRO 68 HA PRO 68 -4.516 -5.792 -5.753 522 HB2 PRO 68 1HB PRO 68 -2.057 -4.826 -5.055 523 HB3 PRO 68 2HB PRO 68 -2.371 -6.524 -5.351 524 HG2 PRO 68 1HG PRO 68 -0.976 -4.570 -7.076 525 HG3 PRO 68 2HG PRO 68 -0.932 -6.321 -7.142 526 HD2 PRO 68 1HD PRO 68 -2.392 -4.573 -8.886 527 HD3 PRO 68 2HD PRO 68 -2.439 -6.325 -8.878 528 H VAL 69 H VAL 69 -5.047 -4.393 -4.053 529 HA VAL 69 HA VAL 69 -5.229 -1.637 -5.042 530 HB VAL 69 HB VAL 69 -6.860 -3.213 -3.047 531 HG11 VAL 69 1HG1 VAL 69 -6.897 -0.251 -3.682 532 HG12 VAL 69 2HG1 VAL 69 -8.270 -1.103 -2.936 533 HG13 VAL 69 3HG1 VAL 69 -6.701 -1.038 -2.097 534 HG21 VAL 69 1HG2 VAL 69 -8.701 -2.831 -4.601 535 HG22 VAL 69 2HG2 VAL 69 -7.633 -1.889 -5.669 536 HG23 VAL 69 3HG2 VAL 69 -7.346 -3.630 -5.435 537 H PHE 70 H PHE 70 -4.790 0.115 -3.514 538 HA PHE 70 HA PHE 70 -3.218 -0.719 -1.198 539 HB2 PHE 70 1HB PHE 70 -2.492 1.285 -3.419 540 HB3 PHE 70 2HB PHE 70 -1.583 1.140 -1.928 541 HD1 PHE 70 1HD PHE 70 -2.430 -0.520 -5.092 542 HD2 PHE 70 2HD PHE 70 -0.069 -0.696 -1.571 543 HE1 PHE 70 1HE PHE 70 -1.015 -2.315 -6.130 544 HE2 PHE 70 2HE PHE 70 1.346 -2.491 -2.609 545 HZ PHE 70 HZ PHE 70 0.856 -3.279 -4.876 546 H HIS 71 H HIS 71 -3.959 0.308 0.594 547 HA HIS 71 HA HIS 71 -5.298 2.877 0.153 548 HB2 HIS 71 1HB HIS 71 -5.805 0.831 2.332 549 HB3 HIS 71 2HB HIS 71 -6.632 2.366 2.154 550 HD1 HIS 71 1HD HIS 71 -8.523 0.134 2.148 551 HD2 HIS 71 2HD HIS 71 -6.506 1.238 -1.361 552 HE1 HIS 71 1HE HIS 71 -9.908 -0.780 0.209 553 H LEU 72 H LEU 72 -4.197 4.612 0.902 554 HA LEU 72 HA LEU 72 -2.144 4.102 2.924 555 HB2 LEU 72 1HB LEU 72 -2.163 5.534 0.501 556 HB3 LEU 72 2HB LEU 72 -2.100 6.743 1.769 557 HG LEU 72 HG LEU 72 -0.120 4.568 1.132 558 HD11 LEU 72 1HD1 LEU 72 1.466 6.508 1.315 559 HD12 LEU 72 2HD1 LEU 72 0.280 6.620 -0.008 560 HD13 LEU 72 3HD1 LEU 72 0.045 7.569 1.480 561 HD21 LEU 72 1HD2 LEU 72 -0.754 5.672 3.800 562 HD22 LEU 72 2HD2 LEU 72 0.047 4.151 3.338 563 HD23 LEU 72 3HD2 LEU 72 0.968 5.674 3.352 564 H ASN 73 H ASN 73 -2.679 4.517 4.992 565 HA ASN 73 HA ASN 73 -3.462 5.545 6.740 566 HB2 ASN 73 1HB ASN 73 -3.441 7.691 4.765 567 HB3 ASN 73 2HB ASN 73 -4.856 7.872 5.784 568 HD21 ASN 73 1HD2 ASN 73 -1.485 8.195 5.507 569 HD22 ASN 73 2HD2 ASN 73 -1.110 8.709 7.117 570 H GLY 74 H GLY 74 -5.059 3.730 4.944 571 HA2 GLY 74 1HA GLY 74 -7.121 2.807 5.041 572 HA3 GLY 74 2HA GLY 74 -7.606 4.023 6.207 573 H GLN 75 H GLN 75 -6.264 4.576 2.898 574 HA GLN 75 HA GLN 75 -8.877 5.235 1.931 575 HB2 GLN 75 1HB GLN 75 -7.352 7.288 3.085 576 HB3 GLN 75 2HB GLN 75 -7.046 7.471 1.369 577 HG2 GLN 75 1HG GLN 75 -9.608 7.298 1.035 578 HG3 GLN 75 2HG GLN 75 -9.751 7.464 2.773 579 HE21 GLN 75 1HE2 GLN 75 -8.575 8.969 -0.180 580 HE22 GLN 75 2HE2 GLN 75 -8.591 10.613 0.367 581 H PHE 76 H PHE 76 -8.988 4.444 -0.126 582 HA PHE 76 HA PHE 76 -7.080 3.123 -1.419 583 HB2 PHE 76 1HB PHE 76 -9.179 3.085 -2.487 584 HB3 PHE 76 2HB PHE 76 -9.484 4.777 -2.145 585 HD1 PHE 76 1HD PHE 76 -7.111 2.759 -4.218 586 HD2 PHE 76 2HD PHE 76 -9.623 6.170 -3.966 587 HE1 PHE 76 1HE PHE 76 -6.560 3.340 -6.596 588 HE2 PHE 76 2HE PHE 76 -9.072 6.751 -6.344 589 HZ PHE 76 HZ PHE 76 -7.547 5.330 -7.631 590 H LEU 77 H LEU 77 -4.996 3.649 -1.889 591 HA LEU 77 HA LEU 77 -4.417 6.414 -2.592 592 HB2 LEU 77 1HB LEU 77 -2.647 6.061 -1.339 593 HB3 LEU 77 2HB LEU 77 -3.101 4.383 -1.112 594 HG LEU 77 HG LEU 77 -1.942 3.979 -3.402 595 HD11 LEU 77 1HD1 LEU 77 -0.610 6.591 -2.635 596 HD12 LEU 77 2HD1 LEU 77 -0.174 5.522 -3.990 597 HD13 LEU 77 3HD1 LEU 77 -1.739 6.370 -3.994 598 HD21 LEU 77 1HD2 LEU 77 0.363 4.352 -1.914 599 HD22 LEU 77 2HD2 LEU 77 -0.908 4.176 -0.681 600 HD23 LEU 77 3HD2 LEU 77 -0.679 2.910 -1.910 601 H MET 78 H MET 78 -4.244 3.055 -3.873 602 HA MET 78 HA MET 78 -4.653 3.918 -6.470 603 HB2 MET 78 1HB MET 78 -2.453 3.648 -7.475 604 HB3 MET 78 2HB MET 78 -2.227 4.705 -6.095 605 HG2 MET 78 1HG MET 78 -1.688 2.531 -4.747 606 HG3 MET 78 2HG MET 78 -1.549 1.744 -6.306 607 HE1 MET 78 1HE MET 78 0.626 1.352 -4.780 608 HE2 MET 78 2HE MET 78 2.101 2.314 -5.038 609 HE3 MET 78 3HE MET 78 0.927 2.801 -3.792 610 H MET 79 H MET 79 -4.905 2.116 -7.946 611 HA MET 79 HA MET 79 -4.305 -0.482 -6.832 612 HB2 MET 79 1HB MET 79 -6.684 -1.228 -7.409 613 HB3 MET 79 2HB MET 79 -6.603 -0.100 -6.070 614 HG2 MET 79 1HG MET 79 -7.180 1.784 -7.580 615 HG3 MET 79 2HG MET 79 -7.169 0.709 -8.964 616 HE1 MET 79 1HE MET 79 -10.709 1.866 -6.773 617 HE2 MET 79 2HE MET 79 -9.063 2.536 -6.674 618 HE3 MET 79 3HE MET 79 -9.901 2.462 -8.242 619 H HIS 80 H HIS 80 -4.422 -2.238 -8.473 620 HA HIS 80 HA HIS 80 -4.441 -3.056 -10.552 621 HB2 HIS 80 1HB HIS 80 -4.576 -0.326 -11.810 622 HB3 HIS 80 2HB HIS 80 -5.104 -1.866 -12.457 623 HD1 HIS 80 1HD HIS 80 -7.055 0.500 -12.453 624 HD2 HIS 80 2HD HIS 80 -6.802 -2.300 -9.340 625 HE1 HIS 80 1HE HIS 80 -9.301 0.572 -11.243 626 H ARG 81 H ARG 81 -2.282 -1.410 -8.855 627 HA ARG 81 HA ARG 81 -0.095 -2.397 -9.970 628 HB2 ARG 81 1HB ARG 81 -1.047 -0.186 -11.620 629 HB3 ARG 81 2HB ARG 81 0.515 0.228 -10.942 630 HG2 ARG 81 1HG ARG 81 1.615 -1.550 -12.014 631 HG3 ARG 81 2HG ARG 81 0.169 -2.534 -12.108 632 HD2 ARG 81 1HD ARG 81 -0.773 -0.958 -13.830 633 HD3 ARG 81 2HD ARG 81 0.700 -0.012 -13.754 634 HE ARG 81 HE ARG 81 1.800 -1.648 -15.025 635 HH11 ARG 81 2HH2 ARG 81 -1.211 -2.972 -13.775 636 HH12 ARG 81 1HH2 ARG 81 -1.107 -4.428 -14.707 637 HH21 ARG 81 2HH1 ARG 81 1.937 -3.569 -16.256 638 HH22 ARG 81 1HH1 ARG 81 0.696 -4.770 -16.128 639 H VAL 82 H VAL 82 1.871 -0.340 -9.666 640 HA VAL 82 HA VAL 82 1.215 0.876 -7.088 641 HB VAL 82 HB VAL 82 3.608 -0.864 -7.705 642 HG11 VAL 82 1HG1 VAL 82 3.235 0.243 -4.974 643 HG12 VAL 82 2HG1 VAL 82 4.725 -0.069 -5.897 644 HG13 VAL 82 3HG1 VAL 82 3.766 1.395 -6.223 645 HG21 VAL 82 1HG2 VAL 82 1.074 -1.253 -6.228 646 HG22 VAL 82 2HG2 VAL 82 2.155 -2.442 -6.994 647 HG23 VAL 82 3HG2 VAL 82 2.540 -1.799 -5.379 648 H ASN 83 H ASN 83 0.993 2.845 -8.339 649 HA ASN 83 HA ASN 83 3.150 3.697 -9.942 650 HB2 ASN 83 1HB ASN 83 0.500 4.737 -9.063 651 HB3 ASN 83 2HB ASN 83 1.695 5.997 -9.302 652 HD21 ASN 83 1HD2 ASN 83 1.904 6.780 -11.250 653 HD22 ASN 83 2HD2 ASN 83 1.466 6.018 -12.742 654 H THR 84 H THR 84 4.950 3.479 -8.334 655 HA THR 84 HA THR 84 5.168 4.443 -5.852 656 HB THR 84 HB THR 84 7.607 5.017 -6.634 657 HG1 THR 84 1HG THR 84 7.746 5.040 -8.843 658 HG21 THR 84 1HG2 THR 84 7.932 2.545 -7.498 659 HG22 THR 84 2HG2 THR 84 7.392 2.786 -5.819 660 HG23 THR 84 3HG2 THR 84 6.213 2.348 -7.079 661 H SER 85 H SER 85 5.595 6.498 -8.809 662 HA SER 85 HA SER 85 6.209 8.817 -7.707 663 HB2 SER 85 1HB SER 85 5.164 7.982 -10.158 664 HB3 SER 85 2HB SER 85 3.975 9.148 -9.612 665 HG SER 85 HG SER 85 6.709 9.887 -9.343 666 H LYS 86 H LYS 86 2.871 7.416 -7.879 667 HA LYS 86 HA LYS 86 1.638 9.605 -6.603 668 HB2 LYS 86 1HB LYS 86 0.784 7.414 -7.996 669 HB3 LYS 86 2HB LYS 86 0.370 6.944 -6.360 670 HG2 LYS 86 1HG LYS 86 -1.281 8.522 -6.189 671 HG3 LYS 86 2HG LYS 86 -0.304 9.766 -6.943 672 HD2 LYS 86 1HD LYS 86 -1.840 9.509 -8.646 673 HD3 LYS 86 2HD LYS 86 -0.735 8.240 -9.137 674 HE2 LYS 86 1HE LYS 86 -2.440 7.034 -7.204 675 HE3 LYS 86 2HE LYS 86 -3.497 8.014 -8.201 676 HZ1 LYS 86 1HZ LYS 86 -2.540 5.590 -8.853 677 HZ2 LYS 86 2HZ LYS 86 -3.198 6.654 -9.903 678 HZ3 LYS 86 3HZ LYS 86 -1.577 6.580 -9.724 679 H LEU 87 H LEU 87 2.403 6.268 -5.367 680 HA LEU 87 HA LEU 87 1.741 6.604 -2.781 681 HB2 LEU 87 1HB LEU 87 2.410 4.492 -3.455 682 HB3 LEU 87 2HB LEU 87 3.920 5.063 -4.139 683 HG LEU 87 HG LEU 87 4.772 5.497 -1.843 684 HD11 LEU 87 1HD1 LEU 87 2.142 4.253 -1.007 685 HD12 LEU 87 2HD1 LEU 87 3.548 4.445 0.068 686 HD13 LEU 87 3HD1 LEU 87 2.752 5.880 -0.622 687 HD21 LEU 87 1HD2 LEU 87 5.367 3.266 -1.389 688 HD22 LEU 87 2HD2 LEU 87 3.855 2.630 -2.081 689 HD23 LEU 87 3HD2 LEU 87 5.095 3.332 -3.147 690 H GLU 88 H GLU 88 5.138 7.133 -3.974 691 HA GLU 88 HA GLU 88 6.163 8.219 -1.771 692 HB2 GLU 88 1HB GLU 88 6.706 9.389 -4.528 693 HB3 GLU 88 2HB GLU 88 7.819 9.284 -3.179 694 HG2 GLU 88 1HG GLU 88 6.970 6.620 -3.573 695 HG3 GLU 88 2HG GLU 88 7.147 7.254 -5.197 696 H LYS 89 H LYS 89 4.415 10.067 -4.368 697 HA LYS 89 HA LYS 89 4.612 12.566 -3.267 698 HB2 LYS 89 1HB LYS 89 3.646 11.766 -5.526 699 HB3 LYS 89 2HB LYS 89 2.127 11.586 -4.671 700 HG2 LYS 89 1HG LYS 89 3.686 14.176 -4.431 701 HG3 LYS 89 2HG LYS 89 2.705 13.883 -5.853 702 HD2 LYS 89 1HD LYS 89 1.220 13.204 -3.419 703 HD3 LYS 89 2HD LYS 89 1.819 14.849 -3.337 704 HE2 LYS 89 1HE LYS 89 0.712 15.464 -5.399 705 HE3 LYS 89 2HE LYS 89 0.379 13.793 -5.806 706 HZ1 LYS 89 1HZ LYS 89 -1.237 15.477 -4.407 707 HZ2 LYS 89 2HZ LYS 89 -1.450 13.870 -4.605 708 HZ3 LYS 89 3HZ LYS 89 -0.680 14.435 -3.280 709 H GLN 90 H GLN 90 2.297 9.914 -2.507 710 HA GLN 90 HA GLN 90 0.765 11.485 -0.772 711 HB2 GLN 90 1HB GLN 90 1.119 8.467 -1.015 712 HB3 GLN 90 2HB GLN 90 -0.059 9.212 0.048 713 HG2 GLN 90 1HG GLN 90 0.084 9.560 -2.984 714 HG3 GLN 90 2HG GLN 90 -1.096 8.597 -2.117 715 HE21 GLN 90 1HE2 GLN 90 -0.254 11.651 -3.305 716 HE22 GLN 90 2HE2 GLN 90 -1.548 12.593 -2.643 717 H LEU 91 H LEU 91 3.513 9.182 -0.284 718 HA LEU 91 HA LEU 91 3.508 9.291 2.502 719 HB2 LEU 91 1HB LEU 91 5.683 8.709 0.494 720 HB3 LEU 91 2HB LEU 91 5.900 8.544 2.225 721 HG LEU 91 HG LEU 91 3.811 7.048 0.620 722 HD11 LEU 91 1HD1 LEU 91 5.992 5.459 1.724 723 HD12 LEU 91 2HD1 LEU 91 5.290 5.470 0.088 724 HD13 LEU 91 3HD1 LEU 91 6.551 6.648 0.523 725 HD21 LEU 91 1HD2 LEU 91 3.893 7.531 3.337 726 HD22 LEU 91 2HD2 LEU 91 3.024 6.205 2.529 727 HD23 LEU 91 3HD2 LEU 91 4.655 5.930 3.185 728 H ARG 92 H ARG 92 4.860 11.448 -0.005 729 HA ARG 92 HA ARG 92 6.555 12.858 1.639 730 HB2 ARG 92 1HB ARG 92 6.969 13.861 -0.361 731 HB3 ARG 92 2HB ARG 92 5.599 13.013 -1.050 732 HG2 ARG 92 1HG ARG 92 4.073 14.827 -0.400 733 HG3 ARG 92 2HG ARG 92 5.348 15.641 0.485 734 HD2 ARG 92 1HD ARG 92 6.087 16.671 -1.402 735 HD3 ARG 92 2HD ARG 92 6.251 15.138 -2.236 736 HE ARG 92 HE ARG 92 3.538 15.524 -2.320 737 HH11 ARG 92 2HH2 ARG 92 6.245 17.624 -3.123 738 HH12 ARG 92 1HH2 ARG 92 5.370 18.504 -4.330 739 HH21 ARG 92 2HH1 ARG 92 2.382 16.686 -3.913 740 HH22 ARG 92 1HH1 ARG 92 3.158 17.967 -4.783 741 H LYS 93 H LYS 93 3.042 12.871 1.301 742 HA LYS 93 HA LYS 93 2.922 14.965 3.337 743 HB2 LYS 93 1HB LYS 93 1.452 14.934 0.699 744 HB3 LYS 93 2HB LYS 93 0.829 15.799 2.090 745 HG2 LYS 93 1HG LYS 93 3.645 16.418 1.825 746 HG3 LYS 93 2HG LYS 93 2.888 16.629 0.259 747 HD2 LYS 93 1HD LYS 93 2.585 18.739 1.287 748 HD3 LYS 93 2HD LYS 93 1.035 17.957 1.525 749 HE2 LYS 93 1HE LYS 93 1.834 17.204 3.820 750 HE3 LYS 93 2HE LYS 93 3.295 18.141 3.574 751 HZ1 LYS 93 1HZ LYS 93 0.843 19.556 3.097 752 HZ2 LYS 93 2HZ LYS 93 1.094 19.115 4.649 753 HZ3 LYS 93 3HZ LYS 93 2.193 20.042 3.876 754 H LEU 94 H LEU 94 0.307 13.309 1.502 755 HA LEU 94 HA LEU 94 -1.159 11.760 2.104 756 HB2 LEU 94 1HB LEU 94 1.123 11.115 3.749 757 HB3 LEU 94 2HB LEU 94 -0.363 10.792 4.620 758 HG LEU 94 HG LEU 94 0.426 9.666 1.920 759 HD11 LEU 94 1HD1 LEU 94 1.531 8.191 3.176 760 HD12 LEU 94 2HD1 LEU 94 0.760 8.755 4.677 761 HD13 LEU 94 3HD1 LEU 94 -0.069 7.567 3.643 762 HD21 LEU 94 1HD2 LEU 94 -1.895 8.451 3.196 763 HD22 LEU 94 2HD2 LEU 94 -2.160 10.164 2.792 764 HD23 LEU 94 3HD2 LEU 94 -1.667 9.016 1.524 765 H SER 95 H SER 95 0.031 13.565 5.022 766 HA SER 95 HA SER 95 -2.301 13.586 6.395 767 HB2 SER 95 1HB SER 95 -1.442 15.710 7.441 768 HB3 SER 95 2HB SER 95 -0.253 14.424 7.379 769 HG SER 95 HG SER 95 0.719 15.426 5.534 770 H GLY 96 H GLY 96 -4.317 14.449 6.034 771 HA2 GLY 96 1HA GLY 96 -4.506 16.683 4.102 772 HA3 GLY 96 2HA GLY 96 -5.619 15.330 4.113 773 HA PRO 97 HA PRO 97 -6.889 18.642 7.149 774 HB2 PRO 97 1HB PRO 97 -8.492 20.275 5.654 775 HB3 PRO 97 2HB PRO 97 -6.822 20.652 6.028 776 HG2 PRO 97 1HG PRO 97 -7.982 19.701 3.480 777 HG3 PRO 97 2HG PRO 97 -6.437 20.477 3.760 778 HD2 PRO 97 1HD PRO 97 -6.894 17.685 3.290 779 HD3 PRO 97 2HD PRO 97 -5.365 18.445 3.684 780 H SER 98 H SER 98 -7.698 16.193 7.242 781 HA SER 98 HA SER 98 -10.245 15.721 6.329 782 HB2 SER 98 1HB SER 98 -9.017 13.841 7.068 783 HB3 SER 98 2HB SER 98 -8.572 14.599 8.584 784 HG SER 98 HG SER 98 -10.624 12.936 8.142 785 H SER 99 H SER 99 -12.331 16.086 7.174 786 HA SER 99 HA SER 99 -12.432 17.422 9.748 787 HB2 SER 99 1HB SER 99 -12.471 19.200 8.029 788 HB3 SER 99 2HB SER 99 -13.796 18.405 7.202 789 HG SER 99 HG SER 99 -14.545 18.708 9.786 790 H GLY 100 H GLY 100 -13.384 15.610 10.760 791 HA2 GLY 100 1HA GLY 100 -16.108 15.279 10.694 792 HA3 GLY 100 2HA GLY 100 -15.493 14.120 9.533 Start of MODEL 8 1 H1 GLY 1 H GLY 1 7.316 -7.547 14.097 2 HA2 GLY 1 1HA GLY 1 6.523 -5.012 12.796 3 HA3 GLY 1 2HA GLY 1 5.958 -5.455 14.395 4 H SER 2 H SER 2 8.430 -3.890 12.611 5 HA SER 2 HA SER 2 10.211 -4.038 14.913 6 HB2 SER 2 1HB SER 2 10.658 -4.031 12.004 7 HB3 SER 2 2HB SER 2 11.621 -2.812 12.815 8 HG SER 2 HG SER 2 12.645 -4.373 14.054 9 H SER 3 H SER 3 10.244 -2.235 16.204 10 HA SER 3 HA SER 3 9.083 0.170 15.104 11 HB2 SER 3 1HB SER 3 8.792 -1.075 17.549 12 HB3 SER 3 2HB SER 3 9.984 0.149 17.940 13 HG SER 3 HG SER 3 7.494 0.626 17.995 14 H GLY 4 H GLY 4 10.194 2.318 15.948 15 HA2 GLY 4 1HA GLY 4 12.980 2.172 15.121 16 HA3 GLY 4 2HA GLY 4 12.001 3.608 15.345 17 H SER 5 H SER 5 14.340 4.028 16.407 18 HA SER 5 HA SER 5 14.047 3.318 19.222 19 HB2 SER 5 1HB SER 5 16.480 3.422 19.434 20 HB3 SER 5 2HB SER 5 16.058 2.307 18.150 21 HG SER 5 HG SER 5 17.509 4.668 18.029 22 H SER 6 H SER 6 14.523 5.013 20.790 23 HA SER 6 HA SER 6 15.154 7.604 19.780 24 HB2 SER 6 1HB SER 6 12.368 6.829 20.444 25 HB3 SER 6 2HB SER 6 12.908 8.284 21.260 26 HG SER 6 HG SER 6 11.908 8.441 18.993 27 H GLY 7 H GLY 7 16.955 7.515 21.207 28 HA2 GLY 7 1HA GLY 7 16.242 7.640 24.071 29 HA3 GLY 7 2HA GLY 7 17.579 6.661 23.503 30 H ASN 8 H ASN 8 16.300 10.026 23.651 31 HA ASN 8 HA ASN 8 19.013 10.920 23.962 32 HB2 ASN 8 1HB ASN 8 17.177 11.784 21.687 33 HB3 ASN 8 2HB ASN 8 18.418 12.869 22.283 34 HD21 ASN 8 1HD2 ASN 8 20.628 11.844 22.548 35 HD22 ASN 8 2HD2 ASN 8 21.196 10.835 21.259 36 H LEU 9 H LEU 9 18.917 13.436 24.506 37 HA LEU 9 HA LEU 9 16.892 13.769 26.485 38 HB2 LEU 9 1HB LEU 9 19.316 14.471 26.624 39 HB3 LEU 9 2HB LEU 9 18.926 15.781 25.526 40 HG LEU 9 HG LEU 9 17.240 16.609 27.180 41 HD11 LEU 9 1HD1 LEU 9 16.599 14.839 28.512 42 HD12 LEU 9 2HD1 LEU 9 18.265 14.252 28.730 43 HD13 LEU 9 3HD1 LEU 9 17.717 15.713 29.587 44 HD21 LEU 9 1HD2 LEU 9 20.179 16.520 27.640 45 HD22 LEU 9 2HD2 LEU 9 19.099 17.901 27.334 46 HD23 LEU 9 3HD2 LEU 9 19.162 17.162 28.952 47 H SER 10 H SER 10 14.993 13.577 25.048 48 HA SER 10 HA SER 10 14.037 16.123 24.417 49 HB2 SER 10 1HB SER 10 15.588 15.427 22.390 50 HB3 SER 10 2HB SER 10 14.250 14.386 21.946 51 HG SER 10 HG SER 10 14.022 17.237 22.415 52 H ALA 11 H ALA 11 11.766 15.841 23.206 53 HA ALA 11 HA ALA 11 10.625 13.243 23.949 54 HB1 ALA 11 1HB ALA 11 10.278 15.539 25.443 55 HB2 ALA 11 2HB ALA 11 8.869 15.580 24.356 56 HB3 ALA 11 3HB ALA 11 9.148 14.164 25.398 57 H SER 12 H SER 12 9.688 12.325 22.198 58 HA SER 12 HA SER 12 7.922 13.707 20.582 59 HB2 SER 12 1HB SER 12 9.144 13.855 18.467 60 HB3 SER 12 2HB SER 12 9.977 14.794 19.690 61 HG SER 12 HG SER 12 10.948 12.753 18.195 62 H ASN 13 H ASN 13 6.708 12.205 19.347 63 HA ASN 13 HA ASN 13 7.828 9.517 19.279 64 HB2 ASN 13 1HB ASN 13 5.686 10.305 20.898 65 HB3 ASN 13 2HB ASN 13 4.862 9.689 19.480 66 HD21 ASN 13 1HD2 ASN 13 4.105 8.099 21.051 67 HD22 ASN 13 2HD2 ASN 13 5.043 6.673 21.349 68 H ARG 14 H ARG 14 7.889 8.818 17.137 69 HA ARG 14 HA ARG 14 6.060 10.148 15.313 70 HB2 ARG 14 1HB ARG 14 8.816 8.915 14.973 71 HB3 ARG 14 2HB ARG 14 7.775 9.101 13.576 72 HG2 ARG 14 1HG ARG 14 7.842 11.549 15.210 73 HG3 ARG 14 2HG ARG 14 9.448 11.076 14.693 74 HD2 ARG 14 1HD ARG 14 8.334 10.764 12.317 75 HD3 ARG 14 2HD ARG 14 7.038 11.747 12.970 76 HE ARG 14 HE ARG 14 9.731 12.651 12.276 77 HH11 ARG 14 2HH2 ARG 14 6.900 13.327 14.254 78 HH12 ARG 14 1HH2 ARG 14 7.255 15.016 14.411 79 HH21 ARG 14 2HH1 ARG 14 10.200 14.878 12.483 80 HH22 ARG 14 1HH1 ARG 14 9.144 15.904 13.397 81 H ALA 15 H ALA 15 5.765 8.541 13.201 82 HA ALA 15 HA ALA 15 5.689 5.784 13.698 83 HB1 ALA 15 1HB ALA 15 3.133 5.624 13.787 84 HB2 ALA 15 2HB ALA 15 3.942 6.161 15.279 85 HB3 ALA 15 3HB ALA 15 3.141 7.350 14.223 86 H LEU 16 H LEU 16 5.231 4.668 11.771 87 HA LEU 16 HA LEU 16 5.050 6.399 9.457 88 HB2 LEU 16 1HB LEU 16 5.425 3.408 9.578 89 HB3 LEU 16 2HB LEU 16 5.692 4.458 8.201 90 HG LEU 16 HG LEU 16 7.280 4.625 10.775 91 HD11 LEU 16 1HD1 LEU 16 7.447 2.711 8.597 92 HD12 LEU 16 2HD1 LEU 16 8.952 3.646 8.770 93 HD13 LEU 16 3HD1 LEU 16 8.298 2.746 10.160 94 HD21 LEU 16 1HD2 LEU 16 7.441 6.012 8.115 95 HD22 LEU 16 2HD2 LEU 16 7.533 6.687 9.760 96 HD23 LEU 16 3HD2 LEU 16 8.906 5.770 9.096 97 HA PRO 17 HA PRO 17 0.909 5.521 8.625 98 HB2 PRO 17 1HB PRO 17 0.799 5.662 5.898 99 HB3 PRO 17 2HB PRO 17 0.825 7.078 6.931 100 HG2 PRO 17 1HG PRO 17 3.000 5.951 5.276 101 HG3 PRO 17 2HG PRO 17 2.863 7.558 5.962 102 HD2 PRO 17 1HD PRO 17 4.504 5.414 6.929 103 HD3 PRO 17 2HD PRO 17 4.277 6.980 7.680 104 H VAL 18 H VAL 18 -0.743 4.077 7.710 105 HA VAL 18 HA VAL 18 0.517 1.451 7.389 106 HB VAL 18 HB VAL 18 -2.273 2.260 8.234 107 HG11 VAL 18 1HG1 VAL 18 -2.621 -0.119 8.741 108 HG12 VAL 18 2HG1 VAL 18 -2.288 0.131 7.011 109 HG13 VAL 18 3HG1 VAL 18 -1.013 -0.500 8.081 110 HG21 VAL 18 1HG2 VAL 18 0.216 1.510 9.725 111 HG22 VAL 18 2HG2 VAL 18 -1.021 2.731 10.106 112 HG23 VAL 18 3HG2 VAL 18 -1.361 1.005 10.378 113 H LEU 19 H LEU 19 0.485 0.478 5.427 114 HA LEU 19 HA LEU 19 -1.353 1.625 3.444 115 HB2 LEU 19 1HB LEU 19 1.010 2.024 2.984 116 HB3 LEU 19 2HB LEU 19 1.339 0.305 3.072 117 HG LEU 19 HG LEU 19 -0.514 0.221 1.150 118 HD11 LEU 19 1HD1 LEU 19 -0.544 2.093 -0.290 119 HD12 LEU 19 2HD1 LEU 19 -0.839 2.729 1.346 120 HD13 LEU 19 3HD1 LEU 19 0.768 2.901 0.600 121 HD21 LEU 19 1HD2 LEU 19 1.940 1.057 -0.117 122 HD22 LEU 19 2HD2 LEU 19 2.286 0.037 1.301 123 HD23 LEU 19 3HD2 LEU 19 1.219 -0.566 0.010 124 H THR 20 H THR 20 -3.100 0.374 3.089 125 HA THR 20 HA THR 20 -3.019 -2.417 3.811 126 HB THR 20 HB THR 20 -5.307 -1.026 2.387 127 HG1 THR 20 1HG THR 20 -4.938 0.530 3.948 128 HG21 THR 20 1HG2 THR 20 -5.931 -3.206 3.137 129 HG22 THR 20 2HG2 THR 20 -4.948 -3.070 4.615 130 HG23 THR 20 3HG2 THR 20 -6.465 -2.150 4.467 131 H LEU 21 H LEU 21 -2.187 -3.948 2.549 132 HA LEU 21 HA LEU 21 -2.337 -3.488 -0.345 133 HB2 LEU 21 1HB LEU 21 -0.105 -3.658 0.097 134 HB3 LEU 21 2HB LEU 21 -0.328 -4.747 1.452 135 HG LEU 21 HG LEU 21 -0.699 -6.624 -0.015 136 HD11 LEU 21 1HD1 LEU 21 -0.137 -5.169 -2.532 137 HD12 LEU 21 2HD1 LEU 21 -1.215 -6.548 -2.209 138 HD13 LEU 21 3HD1 LEU 21 -1.740 -4.895 -1.807 139 HD21 LEU 21 1HD2 LEU 21 1.628 -5.452 -1.418 140 HD22 LEU 21 2HD2 LEU 21 1.692 -5.419 0.361 141 HD23 LEU 21 3HD2 LEU 21 1.477 -6.966 -0.494 142 H PHE 22 H PHE 22 -3.773 -4.676 -1.476 143 HA PHE 22 HA PHE 22 -4.772 -7.103 -0.164 144 HB2 PHE 22 1HB PHE 22 -5.915 -5.070 -2.164 145 HB3 PHE 22 2HB PHE 22 -6.719 -6.597 -1.856 146 HD1 PHE 22 2HD PHE 22 -7.331 -7.100 0.620 147 HD2 PHE 22 1HD PHE 22 -6.399 -3.224 -0.835 148 HE1 PHE 22 2HE PHE 22 -8.520 -6.078 2.580 149 HE2 PHE 22 1HE PHE 22 -7.588 -2.202 1.125 150 HZ PHE 22 HZ PHE 22 -8.634 -3.641 2.809 151 H THR 23 H THR 23 -3.470 -8.740 -0.978 152 HA THR 23 HA THR 23 -3.266 -8.865 -3.915 153 HB THR 23 HB THR 23 -1.051 -8.682 -3.047 154 HG1 THR 23 1HG THR 23 -0.333 -10.910 -3.371 155 HG21 THR 23 1HG2 THR 23 -0.336 -10.321 -1.153 156 HG22 THR 23 2HG2 THR 23 -1.298 -8.907 -0.659 157 HG23 THR 23 3HG2 THR 23 -2.075 -10.501 -0.819 158 H LYS 24 H LYS 24 -2.959 -11.266 -4.665 159 HA LYS 24 HA LYS 24 -4.388 -13.178 -3.096 160 HB2 LYS 24 1HB LYS 24 -6.313 -13.456 -4.483 161 HB3 LYS 24 2HB LYS 24 -6.244 -11.776 -3.994 162 HG2 LYS 24 1HG LYS 24 -5.719 -11.017 -6.133 163 HG3 LYS 24 2HG LYS 24 -4.853 -12.479 -6.561 164 HD2 LYS 24 1HD LYS 24 -7.476 -13.392 -6.177 165 HD3 LYS 24 2HD LYS 24 -7.711 -11.821 -6.917 166 HE2 LYS 24 1HE LYS 24 -5.831 -12.629 -8.608 167 HE3 LYS 24 2HE LYS 24 -6.245 -14.230 -8.029 168 HZ1 LYS 24 1HZ LYS 24 -8.070 -14.181 -9.235 169 HZ2 LYS 24 2HZ LYS 24 -8.571 -12.764 -8.595 170 HZ3 LYS 24 3HZ LYS 24 -7.589 -12.769 -9.900 171 H ALA 25 H ALA 25 -4.910 -15.141 -4.859 172 HA ALA 25 HA ALA 25 -2.793 -15.297 -6.813 173 HB1 ALA 25 1HB ALA 25 -1.768 -15.911 -4.562 174 HB2 ALA 25 2HB ALA 25 -2.870 -17.308 -4.536 175 HB3 ALA 25 3HB ALA 25 -1.652 -17.159 -5.825 176 HA PRO 26 HA PRO 26 -2.065 -16.772 -7.939 177 HB2 PRO 26 1HB PRO 26 -2.263 -17.197 -10.631 178 HB3 PRO 26 2HB PRO 26 -1.875 -18.466 -9.487 179 HG2 PRO 26 1HG PRO 26 -4.418 -17.965 -10.908 180 HG3 PRO 26 2HG PRO 26 -3.876 -19.429 -10.112 181 HD2 PRO 26 1HD PRO 26 -5.787 -17.538 -9.111 182 HD3 PRO 26 2HD PRO 26 -5.158 -18.939 -8.267 183 H CYS 27 H CYS 27 -1.004 -14.904 -8.377 184 HA CYS 27 HA CYS 27 -2.207 -13.084 -10.199 185 HB2 CYS 27 1HB CYS 27 -3.210 -12.906 -7.606 186 HB3 CYS 27 2HB CYS 27 -1.976 -11.663 -7.649 187 HG CYS 27 HG CYS 27 -4.275 -12.196 -9.975 188 HA PRO 28 HA PRO 28 2.191 -12.589 -9.992 189 HB2 PRO 28 1HB PRO 28 2.520 -11.558 -12.501 190 HB3 PRO 28 2HB PRO 28 2.511 -13.278 -12.165 191 HG2 PRO 28 1HG PRO 28 0.398 -11.621 -13.401 192 HG3 PRO 28 2HG PRO 28 0.592 -13.362 -13.441 193 HD2 PRO 28 1HD PRO 28 -1.262 -11.879 -11.832 194 HD3 PRO 28 2HD PRO 28 -0.987 -13.609 -11.788 195 H LEU 29 H LEU 29 0.044 -10.100 -11.240 196 HA LEU 29 HA LEU 29 1.722 -7.957 -10.939 197 HB2 LEU 29 1HB LEU 29 -1.228 -7.910 -10.326 198 HB3 LEU 29 2HB LEU 29 -0.230 -6.604 -10.935 199 HG LEU 29 HG LEU 29 -1.245 -9.038 -12.391 200 HD11 LEU 29 1HD1 LEU 29 -2.795 -7.405 -12.735 201 HD12 LEU 29 2HD1 LEU 29 -1.617 -6.083 -12.554 202 HD13 LEU 29 3HD1 LEU 29 -1.677 -7.021 -14.066 203 HD21 LEU 29 1HD2 LEU 29 0.918 -9.165 -13.169 204 HD22 LEU 29 2HD2 LEU 29 0.190 -8.040 -14.340 205 HD23 LEU 29 3HD2 LEU 29 1.197 -7.414 -13.013 206 H CYS 30 H CYS 30 -0.696 -9.147 -8.494 207 HA CYS 30 HA CYS 30 -0.149 -7.507 -6.465 208 HB2 CYS 30 1HB CYS 30 -0.526 -10.504 -6.164 209 HB3 CYS 30 2HB CYS 30 -0.819 -9.293 -4.931 210 HG CYS 30 HG CYS 30 -2.838 -8.219 -5.833 211 H ASP 31 H ASP 31 1.486 -10.747 -6.835 212 HA ASP 31 HA ASP 31 3.343 -10.557 -4.975 213 HB2 ASP 31 1HB ASP 31 2.941 -12.293 -6.946 214 HB3 ASP 31 2HB ASP 31 4.214 -11.401 -7.754 215 H GLU 32 H GLU 32 3.707 -9.332 -8.393 216 HA GLU 32 HA GLU 32 6.197 -8.252 -8.110 217 HB2 GLU 32 1HB GLU 32 4.523 -8.510 -10.176 218 HB3 GLU 32 2HB GLU 32 4.141 -6.840 -9.808 219 HG2 GLU 32 1HG GLU 32 6.132 -6.086 -10.628 220 HG3 GLU 32 2HG GLU 32 7.046 -7.318 -9.781 221 H ALA 33 H ALA 33 2.973 -6.624 -7.691 222 HA ALA 33 HA ALA 33 3.654 -4.107 -7.167 223 HB1 ALA 33 1HB ALA 33 1.458 -4.165 -6.698 224 HB2 ALA 33 2HB ALA 33 1.525 -5.923 -6.426 225 HB3 ALA 33 3HB ALA 33 1.858 -4.802 -5.084 226 H LYS 34 H LYS 34 3.638 -6.693 -4.604 227 HA LYS 34 HA LYS 34 4.664 -5.235 -2.561 228 HB2 LYS 34 1HB LYS 34 5.200 -8.135 -3.268 229 HB3 LYS 34 2HB LYS 34 5.560 -7.408 -1.715 230 HG2 LYS 34 1HG LYS 34 3.343 -7.312 -1.083 231 HG3 LYS 34 2HG LYS 34 2.786 -6.922 -2.698 232 HD2 LYS 34 1HD LYS 34 2.111 -9.075 -2.915 233 HD3 LYS 34 2HD LYS 34 3.798 -9.550 -2.933 234 HE2 LYS 34 1HE LYS 34 2.728 -9.016 -0.208 235 HE3 LYS 34 2HE LYS 34 1.942 -10.349 -1.030 236 HZ1 LYS 34 1HZ LYS 34 3.698 -11.540 -0.499 237 HZ2 LYS 34 2HZ LYS 34 4.617 -10.647 -1.511 238 HZ3 LYS 34 3HZ LYS 34 4.518 -10.247 0.069 239 H GLU 35 H GLU 35 6.537 -6.992 -5.122 240 HA GLU 35 HA GLU 35 9.021 -6.380 -4.190 241 HB2 GLU 35 1HB GLU 35 8.301 -6.448 -7.145 242 HB3 GLU 35 2HB GLU 35 9.820 -6.911 -6.405 243 HG2 GLU 35 1HG GLU 35 8.308 -8.643 -5.060 244 HG3 GLU 35 2HG GLU 35 7.172 -8.378 -6.367 245 H VAL 36 H VAL 36 6.637 -4.324 -5.799 246 HA VAL 36 HA VAL 36 8.550 -2.295 -6.481 247 HB VAL 36 HB VAL 36 5.535 -2.139 -6.390 248 HG11 VAL 36 1HG1 VAL 36 6.945 -0.022 -6.635 249 HG12 VAL 36 2HG1 VAL 36 7.439 -0.662 -8.221 250 HG13 VAL 36 3HG1 VAL 36 5.723 -0.321 -7.895 251 HG21 VAL 36 1HG2 VAL 36 5.378 -3.054 -8.535 252 HG22 VAL 36 2HG2 VAL 36 7.115 -2.843 -8.861 253 HG23 VAL 36 3HG2 VAL 36 6.569 -4.105 -7.731 254 H LEU 37 H LEU 37 6.727 -3.292 -3.679 255 HA LEU 37 HA LEU 37 7.042 -0.648 -2.476 256 HB2 LEU 37 1HB LEU 37 5.472 -3.082 -1.619 257 HB3 LEU 37 2HB LEU 37 5.602 -1.605 -0.685 258 HG LEU 37 HG LEU 37 4.163 -2.083 -3.281 259 HD11 LEU 37 1HD1 LEU 37 2.370 -0.819 -2.018 260 HD12 LEU 37 2HD1 LEU 37 2.806 -2.419 -1.372 261 HD13 LEU 37 3HD1 LEU 37 3.415 -0.945 -0.583 262 HD21 LEU 37 1HD2 LEU 37 3.798 0.400 -3.416 263 HD22 LEU 37 2HD2 LEU 37 5.115 0.592 -2.233 264 HD23 LEU 37 3HD2 LEU 37 5.443 -0.148 -3.819 265 H GLN 38 H GLN 38 9.170 -2.837 -3.123 266 HA GLN 38 HA GLN 38 9.973 -3.875 -0.668 267 HB2 GLN 38 1HB GLN 38 10.996 -3.732 -3.420 268 HB3 GLN 38 2HB GLN 38 12.290 -3.640 -2.243 269 HG2 GLN 38 1HG GLN 38 10.591 -5.663 -1.241 270 HG3 GLN 38 2HG GLN 38 10.601 -5.932 -2.973 271 HE21 GLN 38 1HE2 GLN 38 13.183 -4.841 -3.490 272 HE22 GLN 38 2HE2 GLN 38 14.379 -5.934 -2.878 273 HA PRO 39 HA PRO 39 12.792 -0.057 -0.539 274 HB2 PRO 39 1HB PRO 39 12.375 2.001 -2.287 275 HB3 PRO 39 2HB PRO 39 13.566 0.743 -2.554 276 HG2 PRO 39 1HG PRO 39 10.934 1.109 -3.850 277 HG3 PRO 39 2HG PRO 39 12.294 0.141 -4.382 278 HD2 PRO 39 1HD PRO 39 9.887 -0.813 -3.147 279 HD3 PRO 39 2HD PRO 39 11.295 -1.765 -3.573 280 H TYR 40 H TYR 40 9.562 -0.271 -0.492 281 HA TYR 40 HA TYR 40 9.392 2.173 1.139 282 HB2 TYR 40 1HB TYR 40 7.279 0.715 -0.568 283 HB3 TYR 40 2HB TYR 40 7.000 2.207 0.307 284 HD1 TYR 40 1HD TYR 40 7.953 4.338 -0.497 285 HD2 TYR 40 2HD TYR 40 8.484 0.698 -2.682 286 HE1 TYR 40 1HE TYR 40 8.661 5.664 -2.547 287 HE2 TYR 40 2HE TYR 40 9.191 2.036 -4.725 288 HH TYR 40 HH TYR 40 8.677 5.348 -4.975 289 H LYS 41 H LYS 41 9.745 -1.053 1.396 290 HA LYS 41 HA LYS 41 7.521 -1.873 2.888 291 HB2 LYS 41 1HB LYS 41 8.740 -3.821 3.316 292 HB3 LYS 41 2HB LYS 41 9.326 -3.285 1.754 293 HG2 LYS 41 1HG LYS 41 11.318 -2.270 2.789 294 HG3 LYS 41 2HG LYS 41 10.709 -2.620 4.394 295 HD2 LYS 41 1HD LYS 41 11.709 -4.650 4.314 296 HD3 LYS 41 2HD LYS 41 10.656 -5.103 2.989 297 HE2 LYS 41 1HE LYS 41 12.478 -5.170 1.639 298 HE3 LYS 41 2HE LYS 41 12.607 -3.429 1.799 299 HZ1 LYS 41 1HZ LYS 41 13.780 -4.031 3.986 300 HZ2 LYS 41 2HZ LYS 41 14.002 -5.496 3.299 301 HZ3 LYS 41 3HZ LYS 41 14.604 -4.158 2.582 302 H ASP 42 H ASP 42 10.452 -0.020 3.678 303 HA ASP 42 HA ASP 42 9.809 -0.211 6.483 304 HB2 ASP 42 1HB ASP 42 12.196 0.078 5.008 305 HB3 ASP 42 2HB ASP 42 11.954 1.661 5.721 306 H ARG 43 H ARG 43 9.196 1.732 3.688 307 HA ARG 43 HA ARG 43 9.190 4.252 4.888 308 HB2 ARG 43 1HB ARG 43 7.874 3.103 2.390 309 HB3 ARG 43 2HB ARG 43 7.629 4.776 2.848 310 HG2 ARG 43 1HG ARG 43 10.406 3.551 2.537 311 HG3 ARG 43 2HG ARG 43 9.560 4.315 1.206 312 HD2 ARG 43 1HD ARG 43 10.760 6.146 2.011 313 HD3 ARG 43 2HD ARG 43 9.283 6.335 2.935 314 HE ARG 43 HE ARG 43 11.152 4.610 4.326 315 HH11 ARG 43 2HH2 ARG 43 10.463 7.984 3.606 316 HH12 ARG 43 1HH2 ARG 43 11.268 8.583 5.019 317 HH21 ARG 43 2HH1 ARG 43 12.214 5.398 6.189 318 HH22 ARG 43 1HH1 ARG 43 12.270 7.101 6.498 319 H PHE 44 H PHE 44 7.215 1.530 5.372 320 HA PHE 44 HA PHE 44 5.479 2.814 7.094 321 HB2 PHE 44 1HB PHE 44 3.371 2.493 5.602 322 HB3 PHE 44 2HB PHE 44 4.408 3.835 5.158 323 HD1 PHE 44 2HD PHE 44 4.032 0.195 4.392 324 HD2 PHE 44 1HD PHE 44 4.941 4.074 2.931 325 HE1 PHE 44 2HE PHE 44 4.231 -0.728 2.067 326 HE2 PHE 44 1HE PHE 44 5.141 3.151 0.605 327 HZ PHE 44 HZ PHE 44 4.783 0.761 0.201 328 H ILE 45 H ILE 45 3.332 1.266 7.348 329 HA ILE 45 HA ILE 45 4.489 -1.405 7.536 330 HB ILE 45 HB ILE 45 2.212 -0.007 8.922 331 HG12 ILE 45 1HG1 ILE 45 4.562 -1.395 10.197 332 HG13 ILE 45 2HG1 ILE 45 4.726 0.231 9.565 333 HG21 ILE 45 1HG2 ILE 45 2.609 -2.556 10.080 334 HG22 ILE 45 2HG2 ILE 45 1.164 -1.933 9.248 335 HG23 ILE 45 3HG2 ILE 45 2.412 -2.809 8.329 336 HD11 ILE 45 1HD1 ILE 45 3.344 -0.697 11.992 337 HD12 ILE 45 2HD1 ILE 45 3.909 0.936 11.566 338 HD13 ILE 45 3HD1 ILE 45 2.324 0.365 10.993 339 H LEU 46 H LEU 46 4.238 -2.435 5.587 340 HA LEU 46 HA LEU 46 1.916 -2.040 4.000 341 HB2 LEU 46 1HB LEU 46 4.122 -2.527 3.071 342 HB3 LEU 46 2HB LEU 46 4.124 -4.097 3.850 343 HG LEU 46 HG LEU 46 2.139 -4.744 2.485 344 HD11 LEU 46 1HD1 LEU 46 2.389 -1.927 1.598 345 HD12 LEU 46 2HD1 LEU 46 2.035 -3.128 0.333 346 HD13 LEU 46 3HD1 LEU 46 0.955 -2.972 1.740 347 HD21 LEU 46 1HD2 LEU 46 3.801 -5.707 1.357 348 HD22 LEU 46 2HD2 LEU 46 3.680 -4.345 0.217 349 HD23 LEU 46 3HD2 LEU 46 4.863 -4.290 1.546 350 H GLN 47 H GLN 47 -0.065 -2.757 4.565 351 HA GLN 47 HA GLN 47 -0.199 -5.093 6.252 352 HB2 GLN 47 1HB GLN 47 -1.585 -2.745 6.316 353 HB3 GLN 47 2HB GLN 47 -2.695 -3.705 5.359 354 HG2 GLN 47 1HG GLN 47 -1.939 -3.982 8.230 355 HG3 GLN 47 2HG GLN 47 -3.459 -4.348 7.437 356 HE21 GLN 47 1HE2 GLN 47 -0.456 -5.526 8.567 357 HE22 GLN 47 2HE2 GLN 47 -0.626 -7.194 8.131 358 H GLU 48 H GLU 48 -0.020 -6.996 5.110 359 HA GLU 48 HA GLU 48 -1.136 -7.135 2.481 360 HB2 GLU 48 1HB GLU 48 0.746 -8.701 4.129 361 HB3 GLU 48 2HB GLU 48 -0.330 -9.716 3.189 362 HG2 GLU 48 1HG GLU 48 0.471 -8.921 1.136 363 HG3 GLU 48 2HG GLU 48 0.931 -7.362 1.792 364 H VAL 49 H VAL 49 -3.379 -7.152 2.490 365 HA VAL 49 HA VAL 49 -4.715 -8.865 4.425 366 HB VAL 49 HB VAL 49 -5.734 -6.854 2.408 367 HG11 VAL 49 1HG1 VAL 49 -7.118 -8.846 4.100 368 HG12 VAL 49 2HG1 VAL 49 -7.764 -7.191 4.200 369 HG13 VAL 49 3HG1 VAL 49 -7.662 -8.012 2.624 370 HG21 VAL 49 1HG2 VAL 49 -6.271 -6.188 5.154 371 HG22 VAL 49 2HG2 VAL 49 -4.531 -6.506 4.954 372 HG23 VAL 49 3HG2 VAL 49 -5.336 -5.284 3.940 373 H ASP 50 H ASP 50 -5.665 -10.802 3.919 374 HA ASP 50 HA ASP 50 -5.167 -11.726 1.236 375 HB2 ASP 50 1HB ASP 50 -5.624 -12.946 3.917 376 HB3 ASP 50 2HB ASP 50 -6.346 -13.836 2.591 377 H ILE 51 H ILE 51 -6.853 -11.101 -0.159 378 HA ILE 51 HA ILE 51 -9.547 -10.949 0.843 379 HB ILE 51 HB ILE 51 -10.064 -10.165 -1.420 380 HG12 ILE 51 1HG1 ILE 51 -7.131 -10.264 -2.099 381 HG13 ILE 51 2HG1 ILE 51 -8.166 -11.638 -2.433 382 HG21 ILE 51 1HG2 ILE 51 -9.219 -8.054 -1.093 383 HG22 ILE 51 2HG2 ILE 51 -8.997 -8.761 0.526 384 HG23 ILE 51 3HG2 ILE 51 -7.617 -8.648 -0.593 385 HD11 ILE 51 1HD1 ILE 51 -8.008 -9.044 -3.811 386 HD12 ILE 51 2HD1 ILE 51 -8.706 -10.583 -4.371 387 HD13 ILE 51 3HD1 ILE 51 -9.678 -9.477 -3.372 388 H THR 52 H THR 52 -7.459 -13.362 -0.439 389 HA THR 52 HA THR 52 -9.404 -14.858 -1.877 390 HB THR 52 HB THR 52 -7.591 -16.590 -1.793 391 HG1 THR 52 1HG THR 52 -6.988 -16.035 0.453 392 HG21 THR 52 1HG2 THR 52 -5.671 -14.504 -2.119 393 HG22 THR 52 2HG2 THR 52 -6.562 -15.346 -3.410 394 HG23 THR 52 3HG2 THR 52 -7.213 -13.842 -2.715 395 H LEU 53 H LEU 53 -9.206 -14.092 1.390 396 HA LEU 53 HA LEU 53 -10.086 -16.684 2.320 397 HB2 LEU 53 1HB LEU 53 -9.537 -14.038 3.650 398 HB3 LEU 53 2HB LEU 53 -10.280 -15.377 4.503 399 HG LEU 53 HG LEU 53 -7.593 -15.573 3.122 400 HD11 LEU 53 1HD1 LEU 53 -6.593 -14.529 4.803 401 HD12 LEU 53 2HD1 LEU 53 -8.197 -14.065 5.419 402 HD13 LEU 53 3HD1 LEU 53 -7.419 -15.557 5.998 403 HD21 LEU 53 1HD2 LEU 53 -8.828 -17.338 5.251 404 HD22 LEU 53 2HD2 LEU 53 -8.828 -17.696 3.508 405 HD23 LEU 53 3HD2 LEU 53 -7.288 -17.591 4.395 406 HA PRO 54 HA PRO 54 -14.306 -15.828 2.067 407 HB2 PRO 54 1HB PRO 54 -15.341 -17.230 4.172 408 HB3 PRO 54 2HB PRO 54 -14.873 -17.979 2.658 409 HG2 PRO 54 1HG PRO 54 -13.477 -18.035 5.263 410 HG3 PRO 54 2HG PRO 54 -13.270 -19.096 3.884 411 HD2 PRO 54 1HD PRO 54 -11.531 -16.959 4.681 412 HD3 PRO 54 2HD PRO 54 -11.388 -17.944 3.239 413 H GLU 55 H GLU 55 -12.941 -15.287 5.242 414 HA GLU 55 HA GLU 55 -15.061 -13.725 6.136 415 HB2 GLU 55 1HB GLU 55 -13.459 -12.969 7.884 416 HB3 GLU 55 2HB GLU 55 -13.424 -14.708 7.671 417 HG2 GLU 55 1HG GLU 55 -11.396 -14.535 6.265 418 HG3 GLU 55 2HG GLU 55 -11.460 -12.785 6.336 419 H ASN 56 H ASN 56 -12.351 -13.092 3.974 420 HA ASN 56 HA ASN 56 -12.877 -10.244 4.172 421 HB2 ASN 56 1HB ASN 56 -10.623 -11.810 2.810 422 HB3 ASN 56 2HB ASN 56 -10.768 -10.065 2.744 423 HD21 ASN 56 1HD2 ASN 56 -8.863 -12.103 3.996 424 HD22 ASN 56 2HD2 ASN 56 -8.615 -11.547 5.617 425 H SER 57 H SER 57 -14.203 -12.795 2.648 426 HA SER 57 HA SER 57 -13.961 -12.688 0.021 427 HB2 SER 57 1HB SER 57 -15.554 -14.219 0.750 428 HB3 SER 57 2HB SER 57 -16.324 -13.076 1.832 429 HG SER 57 HG SER 57 -17.494 -12.195 0.166 430 H THR 58 H THR 58 -15.493 -10.220 2.102 431 HA THR 58 HA THR 58 -16.784 -8.770 0.069 432 HB THR 58 HB THR 58 -15.852 -8.300 2.914 433 HG1 THR 58 1HG THR 58 -18.355 -7.975 1.420 434 HG21 THR 58 1HG2 THR 58 -15.599 -6.118 1.478 435 HG22 THR 58 2HG2 THR 58 -17.368 -6.206 1.301 436 HG23 THR 58 3HG2 THR 58 -16.642 -6.040 2.918 437 H TRP 59 H TRP 59 -13.578 -8.192 1.672 438 HA TRP 59 HA TRP 59 -12.790 -6.023 0.264 439 HB2 TRP 59 1HB TRP 59 -11.327 -8.358 1.422 440 HB3 TRP 59 2HB TRP 59 -10.440 -7.207 0.443 441 HD1 TRP 59 HD TRP 59 -11.122 -7.747 3.944 442 HE1 TRP 59 1HE TRP 59 -10.946 -5.595 5.461 443 HE3 TRP 59 3HE TRP 59 -11.310 -4.398 0.123 444 HZ2 TRP 59 2HZ TRP 59 -10.906 -2.797 4.905 445 HZ3 TRP 59 3HZ TRP 59 -11.197 -1.974 0.697 446 HH2 TRP 59 HH TRP 59 -11.002 -1.157 2.992 447 H TYR 60 H TYR 60 -12.946 -9.454 -0.776 448 HA TYR 60 HA TYR 60 -11.637 -8.922 -3.274 449 HB2 TYR 60 1HB TYR 60 -11.759 -11.101 -1.828 450 HB3 TYR 60 2HB TYR 60 -13.431 -11.242 -2.334 451 HD1 TYR 60 1HD TYR 60 -13.952 -11.558 -4.797 452 HD2 TYR 60 2HD TYR 60 -9.980 -11.833 -3.231 453 HE1 TYR 60 1HE TYR 60 -13.208 -12.807 -6.883 454 HE2 TYR 60 2HE TYR 60 -9.250 -13.081 -5.323 455 HH TYR 60 HH TYR 60 -9.923 -14.094 -7.138 456 H GLU 61 H GLU 61 -15.022 -9.615 -2.168 457 HA GLU 61 HA GLU 61 -16.169 -9.630 -4.648 458 HB2 GLU 61 1HB GLU 61 -17.238 -8.822 -1.920 459 HB3 GLU 61 2HB GLU 61 -18.270 -8.858 -3.336 460 HG2 GLU 61 1HG GLU 61 -16.825 -11.320 -3.366 461 HG3 GLU 61 2HG GLU 61 -17.325 -11.081 -1.703 462 H ARG 62 H ARG 62 -14.681 -7.011 -2.950 463 HA ARG 62 HA ARG 62 -16.153 -5.099 -4.564 464 HB2 ARG 62 1HB ARG 62 -15.379 -3.388 -3.008 465 HB3 ARG 62 2HB ARG 62 -15.996 -4.726 -2.059 466 HG2 ARG 62 1HG ARG 62 -13.782 -5.516 -1.530 467 HG3 ARG 62 2HG ARG 62 -13.044 -4.527 -2.774 468 HD2 ARG 62 1HD ARG 62 -12.587 -3.267 -0.840 469 HD3 ARG 62 2HD ARG 62 -14.046 -2.490 -1.424 470 HE ARG 62 HE ARG 62 -13.804 -4.209 0.962 471 HH11 ARG 62 2HH2 ARG 62 -15.976 -2.635 -1.315 472 HH12 ARG 62 1HH2 ARG 62 -17.340 -2.690 -0.249 473 HH21 ARG 62 2HH1 ARG 62 -15.603 -4.282 2.369 474 HH22 ARG 62 1HH1 ARG 62 -17.126 -3.633 1.861 475 H TYR 63 H TYR 63 -13.007 -6.608 -3.968 476 HA TYR 63 HA TYR 63 -11.926 -5.093 -6.230 477 HB2 TYR 63 1HB TYR 63 -10.716 -5.725 -3.469 478 HB3 TYR 63 2HB TYR 63 -9.737 -5.161 -4.809 479 HD1 TYR 63 1HD TYR 63 -11.323 -3.030 -6.012 480 HD2 TYR 63 2HD TYR 63 -10.811 -4.028 -1.883 481 HE1 TYR 63 1HE TYR 63 -11.827 -0.624 -5.360 482 HE2 TYR 63 2HE TYR 63 -11.317 -1.619 -1.245 483 HH TYR 63 HH TYR 63 -11.261 0.874 -3.439 484 H LYS 64 H LYS 64 -12.651 -7.171 -7.299 485 HA LYS 64 HA LYS 64 -10.693 -9.296 -6.767 486 HB2 LYS 64 1HB LYS 64 -12.341 -10.865 -7.661 487 HB3 LYS 64 2HB LYS 64 -12.970 -10.002 -6.272 488 HG2 LYS 64 1HG LYS 64 -14.014 -8.337 -7.966 489 HG3 LYS 64 2HG LYS 64 -13.615 -9.506 -9.208 490 HD2 LYS 64 1HD LYS 64 -15.270 -10.965 -8.561 491 HD3 LYS 64 2HD LYS 64 -14.992 -10.686 -6.853 492 HE2 LYS 64 1HE LYS 64 -16.019 -8.242 -7.565 493 HE3 LYS 64 2HE LYS 64 -16.833 -9.261 -8.735 494 HZ1 LYS 64 1HZ LYS 64 -16.917 -10.530 -6.268 495 HZ2 LYS 64 2HZ LYS 64 -17.399 -8.986 -6.043 496 HZ3 LYS 64 3HZ LYS 64 -18.163 -9.929 -7.136 497 H PHE 65 H PHE 65 -11.585 -6.751 -8.838 498 HA PHE 65 HA PHE 65 -9.979 -7.965 -10.963 499 HB2 PHE 65 1HB PHE 65 -11.678 -6.416 -12.392 500 HB3 PHE 65 2HB PHE 65 -12.122 -8.056 -11.963 501 HD1 PHE 65 1HD PHE 65 -12.393 -4.564 -10.687 502 HD2 PHE 65 2HD PHE 65 -14.119 -8.438 -10.847 503 HE1 PHE 65 1HE PHE 65 -14.434 -3.704 -9.506 504 HE2 PHE 65 2HE PHE 65 -16.160 -7.577 -9.666 505 HZ PHE 65 HZ PHE 65 -16.293 -5.221 -9.010 506 H ASP 66 H ASP 66 -10.027 -5.706 -8.619 507 HA ASP 66 HA ASP 66 -9.025 -3.591 -10.342 508 HB2 ASP 66 1HB ASP 66 -9.426 -3.285 -7.361 509 HB3 ASP 66 2HB ASP 66 -9.533 -2.061 -8.611 510 H ILE 67 H ILE 67 -8.384 -5.517 -7.331 511 HA ILE 67 HA ILE 67 -6.080 -4.580 -6.421 512 HB ILE 67 HB ILE 67 -5.441 -7.050 -6.071 513 HG12 ILE 67 1HG1 ILE 67 -8.168 -7.369 -7.355 514 HG13 ILE 67 2HG1 ILE 67 -6.648 -8.028 -7.926 515 HG21 ILE 67 1HG2 ILE 67 -7.603 -7.255 -4.547 516 HG22 ILE 67 2HG2 ILE 67 -6.308 -6.086 -4.195 517 HG23 ILE 67 3HG2 ILE 67 -7.794 -5.548 -5.014 518 HD11 ILE 67 1HD1 ILE 67 -7.245 -9.891 -6.751 519 HD12 ILE 67 2HD1 ILE 67 -6.707 -8.975 -5.323 520 HD13 ILE 67 3HD1 ILE 67 -8.431 -8.998 -5.768 521 HA PRO 68 HA PRO 68 -4.267 -5.590 -5.734 522 HB2 PRO 68 1HB PRO 68 -1.773 -4.506 -5.465 523 HB3 PRO 68 2HB PRO 68 -2.056 -6.226 -5.646 524 HG2 PRO 68 1HG PRO 68 -1.030 -4.297 -7.637 525 HG3 PRO 68 2HG PRO 68 -0.922 -6.046 -7.646 526 HD2 PRO 68 1HD PRO 68 -2.708 -4.429 -9.202 527 HD3 PRO 68 2HD PRO 68 -2.678 -6.179 -9.124 528 H VAL 69 H VAL 69 -5.101 -4.225 -4.262 529 HA VAL 69 HA VAL 69 -5.154 -1.443 -5.182 530 HB VAL 69 HB VAL 69 -6.920 -3.010 -3.295 531 HG11 VAL 69 1HG1 VAL 69 -7.109 -0.085 -4.093 532 HG12 VAL 69 2HG1 VAL 69 -8.298 -0.984 -3.120 533 HG13 VAL 69 3HG1 VAL 69 -6.658 -0.706 -2.487 534 HG21 VAL 69 1HG2 VAL 69 -8.138 -3.486 -5.098 535 HG22 VAL 69 2HG2 VAL 69 -8.329 -1.750 -5.441 536 HG23 VAL 69 3HG2 VAL 69 -6.952 -2.646 -6.125 537 H PHE 70 H PHE 70 -4.539 0.259 -3.775 538 HA PHE 70 HA PHE 70 -3.186 -0.643 -1.333 539 HB2 PHE 70 1HB PHE 70 -2.381 1.466 -3.426 540 HB3 PHE 70 2HB PHE 70 -1.509 1.205 -1.928 541 HD1 PHE 70 2HD PHE 70 -2.331 -0.253 -5.203 542 HD2 PHE 70 1HD PHE 70 -0.006 -0.645 -1.675 543 HE1 PHE 70 2HE PHE 70 -0.918 -1.996 -6.328 544 HE2 PHE 70 1HE PHE 70 1.406 -2.389 -2.799 545 HZ PHE 70 HZ PHE 70 0.934 -3.044 -5.113 546 H HIS 71 H HIS 71 -3.884 0.384 0.483 547 HA HIS 71 HA HIS 71 -5.273 2.931 0.067 548 HB2 HIS 71 1HB HIS 71 -5.797 0.828 2.186 549 HB3 HIS 71 2HB HIS 71 -6.632 2.362 2.039 550 HD1 HIS 71 1HD HIS 71 -8.445 0.022 1.942 551 HD2 HIS 71 2HD HIS 71 -6.511 1.432 -1.502 552 HE1 HIS 71 1HE HIS 71 -9.813 -0.820 -0.041 553 H LEU 72 H LEU 72 -4.286 4.679 0.943 554 HA LEU 72 HA LEU 72 -2.296 4.140 3.033 555 HB2 LEU 72 1HB LEU 72 -2.044 5.424 0.576 556 HB3 LEU 72 2HB LEU 72 -2.134 6.736 1.734 557 HG LEU 72 HG LEU 72 -0.070 4.568 1.478 558 HD11 LEU 72 1HD1 LEU 72 1.348 6.731 1.970 559 HD12 LEU 72 2HD1 LEU 72 0.684 6.415 0.349 560 HD13 LEU 72 3HD1 LEU 72 -0.135 7.559 1.439 561 HD21 LEU 72 1HD2 LEU 72 0.623 5.947 3.789 562 HD22 LEU 72 2HD2 LEU 72 -1.112 5.605 3.989 563 HD23 LEU 72 3HD2 LEU 72 0.028 4.273 3.681 564 H ASN 73 H ASN 73 -2.825 4.755 5.055 565 HA ASN 73 HA ASN 73 -3.714 5.841 6.709 566 HB2 ASN 73 1HB ASN 73 -3.709 7.911 4.577 567 HB3 ASN 73 2HB ASN 73 -4.946 8.188 5.788 568 HD21 ASN 73 1HD2 ASN 73 -1.562 8.025 5.090 569 HD22 ASN 73 2HD2 ASN 73 -0.954 8.654 6.585 570 H GLY 74 H GLY 74 -5.264 3.898 5.212 571 HA2 GLY 74 1HA GLY 74 -7.356 3.085 5.100 572 HA3 GLY 74 2HA GLY 74 -7.846 4.335 6.226 573 H GLN 75 H GLN 75 -6.359 4.873 2.989 574 HA GLN 75 HA GLN 75 -8.936 5.564 1.921 575 HB2 GLN 75 1HB GLN 75 -7.164 7.572 2.974 576 HB3 GLN 75 2HB GLN 75 -7.178 7.743 1.230 577 HG2 GLN 75 1HG GLN 75 -9.715 7.711 1.300 578 HG3 GLN 75 2HG GLN 75 -9.631 7.683 3.050 579 HE21 GLN 75 1HE2 GLN 75 -10.567 9.650 0.930 580 HE22 GLN 75 2HE2 GLN 75 -9.871 11.171 1.380 581 H PHE 76 H PHE 76 -9.024 4.711 -0.111 582 HA PHE 76 HA PHE 76 -7.098 3.316 -1.322 583 HB2 PHE 76 1HB PHE 76 -9.117 3.209 -2.494 584 HB3 PHE 76 2HB PHE 76 -9.538 4.857 -2.073 585 HD1 PHE 76 1HD PHE 76 -7.285 2.933 -4.333 586 HD2 PHE 76 2HD PHE 76 -9.498 6.500 -3.712 587 HE1 PHE 76 1HE PHE 76 -6.762 3.666 -6.676 588 HE2 PHE 76 2HE PHE 76 -8.975 7.233 -6.055 589 HZ PHE 76 HZ PHE 76 -7.613 5.807 -7.509 590 H LEU 77 H LEU 77 -4.984 3.901 -1.625 591 HA LEU 77 HA LEU 77 -4.375 6.612 -2.403 592 HB2 LEU 77 1HB LEU 77 -2.614 6.162 -1.165 593 HB3 LEU 77 2HB LEU 77 -3.062 4.472 -1.049 594 HG LEU 77 HG LEU 77 -1.946 4.266 -3.405 595 HD11 LEU 77 1HD1 LEU 77 0.018 5.863 -3.580 596 HD12 LEU 77 2HD1 LEU 77 -1.584 6.527 -3.979 597 HD13 LEU 77 3HD1 LEU 77 -0.836 6.892 -2.406 598 HD21 LEU 77 1HD2 LEU 77 0.372 4.432 -1.904 599 HD22 LEU 77 2HD2 LEU 77 -0.896 4.161 -0.684 600 HD23 LEU 77 3HD2 LEU 77 -0.704 3.021 -2.037 601 H MET 78 H MET 78 -4.165 3.270 -3.762 602 HA MET 78 HA MET 78 -4.711 4.166 -6.325 603 HB2 MET 78 1HB MET 78 -2.553 4.051 -7.412 604 HB3 MET 78 2HB MET 78 -2.285 5.024 -5.979 605 HG2 MET 78 1HG MET 78 -1.549 2.888 -4.771 606 HG3 MET 78 2HG MET 78 -1.636 2.058 -6.312 607 HE1 MET 78 1HE MET 78 2.176 2.692 -5.438 608 HE2 MET 78 2HE MET 78 1.084 3.185 -4.122 609 HE3 MET 78 3HE MET 78 0.760 1.692 -5.035 610 H MET 79 H MET 79 -4.841 2.376 -7.872 611 HA MET 79 HA MET 79 -4.125 -0.212 -6.830 612 HB2 MET 79 1HB MET 79 -6.483 -1.063 -7.294 613 HB3 MET 79 2HB MET 79 -6.405 0.065 -5.955 614 HG2 MET 79 1HG MET 79 -7.195 1.906 -7.373 615 HG3 MET 79 2HG MET 79 -7.087 0.910 -8.811 616 HE1 MET 79 1HE MET 79 -9.898 2.256 -8.417 617 HE2 MET 79 2HE MET 79 -10.837 1.682 -7.018 618 HE3 MET 79 3HE MET 79 -9.301 2.545 -6.765 619 H HIS 80 H HIS 80 -4.495 -1.972 -8.538 620 HA HIS 80 HA HIS 80 -4.608 -2.693 -10.648 621 HB2 HIS 80 1HB HIS 80 -4.658 0.154 -11.665 622 HB3 HIS 80 2HB HIS 80 -5.103 -1.304 -12.530 623 HD1 HIS 80 1HD HIS 80 -7.329 0.434 -12.767 624 HD2 HIS 80 2HD HIS 80 -6.742 -1.619 -9.157 625 HE1 HIS 80 1HE HIS 80 -9.580 0.444 -11.565 626 H ARG 81 H ARG 81 -2.306 -1.261 -8.939 627 HA ARG 81 HA ARG 81 -0.212 -2.349 -10.119 628 HB2 ARG 81 1HB ARG 81 -1.054 -0.057 -11.716 629 HB3 ARG 81 2HB ARG 81 0.543 0.250 -11.063 630 HG2 ARG 81 1HG ARG 81 1.530 -1.428 -12.301 631 HG3 ARG 81 2HG ARG 81 0.153 -2.502 -12.146 632 HD2 ARG 81 1HD ARG 81 -0.972 -1.563 -13.989 633 HD3 ARG 81 2HD ARG 81 -0.177 -0.010 -13.822 634 HE ARG 81 HE ARG 81 1.597 -0.794 -15.139 635 HH11 ARG 81 2HH2 ARG 81 -0.320 -3.527 -14.026 636 HH12 ARG 81 1HH2 ARG 81 0.512 -4.678 -15.018 637 HH21 ARG 81 2HH1 ARG 81 2.695 -2.312 -16.448 638 HH22 ARG 81 1HH1 ARG 81 2.238 -3.982 -16.404 639 H VAL 82 H VAL 82 1.892 -0.438 -9.822 640 HA VAL 82 HA VAL 82 1.370 0.747 -7.195 641 HB VAL 82 HB VAL 82 3.783 -0.927 -7.915 642 HG11 VAL 82 1HG1 VAL 82 4.745 0.224 -6.250 643 HG12 VAL 82 2HG1 VAL 82 3.200 0.957 -5.755 644 HG13 VAL 82 3HG1 VAL 82 3.653 -0.657 -5.154 645 HG21 VAL 82 1HG2 VAL 82 2.360 -2.646 -7.548 646 HG22 VAL 82 2HG2 VAL 82 2.606 -2.228 -5.835 647 HG23 VAL 82 3HG2 VAL 82 1.173 -1.623 -6.702 648 H ASN 83 H ASN 83 1.167 2.749 -8.422 649 HA ASN 83 HA ASN 83 3.363 3.564 -10.012 650 HB2 ASN 83 1HB ASN 83 0.708 4.642 -9.189 651 HB3 ASN 83 2HB ASN 83 1.925 5.881 -9.421 652 HD21 ASN 83 1HD2 ASN 83 1.929 6.716 -11.351 653 HD22 ASN 83 2HD2 ASN 83 1.590 5.918 -12.850 654 H THR 84 H THR 84 5.130 3.343 -8.377 655 HA THR 84 HA THR 84 5.304 4.286 -5.885 656 HB THR 84 HB THR 84 7.757 4.916 -6.676 657 HG1 THR 84 1HG THR 84 7.569 5.096 -8.897 658 HG21 THR 84 1HG2 THR 84 8.370 2.657 -6.590 659 HG22 THR 84 2HG2 THR 84 6.737 2.538 -5.893 660 HG23 THR 84 3HG2 THR 84 7.003 2.146 -7.609 661 H SER 85 H SER 85 5.871 6.381 -8.794 662 HA SER 85 HA SER 85 6.420 8.682 -7.636 663 HB2 SER 85 1HB SER 85 5.042 7.867 -10.095 664 HB3 SER 85 2HB SER 85 4.482 9.433 -9.544 665 HG SER 85 HG SER 85 6.466 10.319 -9.843 666 H LYS 86 H LYS 86 3.124 7.222 -7.904 667 HA LYS 86 HA LYS 86 1.804 9.411 -6.705 668 HB2 LYS 86 1HB LYS 86 1.032 7.210 -8.119 669 HB3 LYS 86 2HB LYS 86 0.581 6.723 -6.497 670 HG2 LYS 86 1HG LYS 86 -1.045 8.356 -6.302 671 HG3 LYS 86 2HG LYS 86 -0.128 9.536 -7.217 672 HD2 LYS 86 1HD LYS 86 -1.697 9.099 -8.839 673 HD3 LYS 86 2HD LYS 86 -0.636 7.756 -9.215 674 HE2 LYS 86 1HE LYS 86 -2.257 6.269 -8.665 675 HE3 LYS 86 2HE LYS 86 -2.368 6.939 -7.049 676 HZ1 LYS 86 1HZ LYS 86 -3.805 7.861 -9.436 677 HZ2 LYS 86 2HZ LYS 86 -4.444 7.196 -8.088 678 HZ3 LYS 86 3HZ LYS 86 -3.790 8.691 -8.030 679 H LEU 87 H LEU 87 2.556 6.092 -5.416 680 HA LEU 87 HA LEU 87 1.799 6.394 -2.870 681 HB2 LEU 87 1HB LEU 87 2.598 4.321 -3.395 682 HB3 LEU 87 2HB LEU 87 4.035 4.937 -4.187 683 HG LEU 87 HG LEU 87 4.971 5.530 -1.948 684 HD11 LEU 87 1HD1 LEU 87 2.695 3.907 -0.793 685 HD12 LEU 87 2HD1 LEU 87 3.975 4.785 0.078 686 HD13 LEU 87 3HD1 LEU 87 2.728 5.686 -0.817 687 HD21 LEU 87 1HD2 LEU 87 4.235 2.606 -2.259 688 HD22 LEU 87 2HD2 LEU 87 5.553 3.435 -3.122 689 HD23 LEU 87 3HD2 LEU 87 5.613 3.274 -1.350 690 H GLU 88 H GLU 88 5.210 7.123 -3.906 691 HA GLU 88 HA GLU 88 6.059 8.260 -1.649 692 HB2 GLU 88 1HB GLU 88 6.697 9.462 -4.370 693 HB3 GLU 88 2HB GLU 88 7.740 9.386 -2.964 694 HG2 GLU 88 1HG GLU 88 7.154 6.710 -3.318 695 HG3 GLU 88 2HG GLU 88 7.113 7.276 -4.976 696 H LYS 89 H LYS 89 4.417 10.035 -4.368 697 HA LYS 89 HA LYS 89 4.412 12.539 -3.360 698 HB2 LYS 89 1HB LYS 89 3.390 11.467 -5.539 699 HB3 LYS 89 2HB LYS 89 1.903 11.464 -4.613 700 HG2 LYS 89 1HG LYS 89 3.578 13.985 -4.682 701 HG3 LYS 89 2HG LYS 89 2.588 13.588 -6.072 702 HD2 LYS 89 1HD LYS 89 1.131 13.278 -3.516 703 HD3 LYS 89 2HD LYS 89 1.719 14.911 -3.761 704 HE2 LYS 89 1HE LYS 89 0.433 13.610 -6.138 705 HE3 LYS 89 2HE LYS 89 -0.634 13.992 -4.802 706 HZ1 LYS 89 1HZ LYS 89 0.167 15.728 -6.665 707 HZ2 LYS 89 2HZ LYS 89 -0.430 16.150 -5.205 708 HZ3 LYS 89 3HZ LYS 89 1.185 16.092 -5.441 709 H GLN 90 H GLN 90 1.954 9.965 -2.635 710 HA GLN 90 HA GLN 90 0.479 11.482 -0.893 711 HB2 GLN 90 1HB GLN 90 0.950 8.509 -1.205 712 HB3 GLN 90 2HB GLN 90 -0.032 9.092 0.124 713 HG2 GLN 90 1HG GLN 90 -1.534 8.628 -1.716 714 HG3 GLN 90 2HG GLN 90 -1.448 10.370 -1.550 715 HE21 GLN 90 1HE2 GLN 90 -0.526 11.616 -3.104 716 HE22 GLN 90 2HE2 GLN 90 -0.010 11.034 -4.652 717 H LEU 91 H LEU 91 3.181 9.159 -0.169 718 HA LEU 91 HA LEU 91 3.268 9.309 2.513 719 HB2 LEU 91 1HB LEU 91 5.534 9.274 0.523 720 HB3 LEU 91 2HB LEU 91 5.770 9.066 2.247 721 HG LEU 91 HG LEU 91 4.065 7.272 0.497 722 HD11 LEU 91 1HD1 LEU 91 5.849 6.023 0.028 723 HD12 LEU 91 2HD1 LEU 91 6.830 7.404 0.575 724 HD13 LEU 91 3HD1 LEU 91 6.440 6.085 1.705 725 HD21 LEU 91 1HD2 LEU 91 4.025 5.769 2.442 726 HD22 LEU 91 2HD2 LEU 91 4.887 6.995 3.401 727 HD23 LEU 91 3HD2 LEU 91 3.251 7.334 2.787 728 H ARG 92 H ARG 92 5.015 11.612 0.303 729 HA ARG 92 HA ARG 92 6.106 13.247 2.027 730 HB2 ARG 92 1HB ARG 92 4.521 13.916 -0.486 731 HB3 ARG 92 2HB ARG 92 5.370 15.171 0.394 732 HG2 ARG 92 1HG ARG 92 7.312 13.182 0.205 733 HG3 ARG 92 2HG ARG 92 6.456 13.000 -1.313 734 HD2 ARG 92 1HD ARG 92 7.133 15.069 -2.110 735 HD3 ARG 92 2HD ARG 92 7.072 15.822 -0.529 736 HE ARG 92 HE ARG 92 9.344 15.371 -0.303 737 HH11 ARG 92 2HH2 ARG 92 7.969 13.040 -2.552 738 HH12 ARG 92 1HH2 ARG 92 9.489 12.284 -2.897 739 HH21 ARG 92 2HH1 ARG 92 11.350 14.375 -0.758 740 HH22 ARG 92 1HH1 ARG 92 11.425 13.049 -1.870 741 H LYS 93 H LYS 93 2.623 13.469 0.999 742 HA LYS 93 HA LYS 93 2.042 14.680 3.588 743 HB2 LYS 93 1HB LYS 93 1.111 16.600 2.781 744 HB3 LYS 93 2HB LYS 93 2.382 16.380 1.596 745 HG2 LYS 93 1HG LYS 93 0.618 15.032 0.220 746 HG3 LYS 93 2HG LYS 93 -0.574 15.720 1.304 747 HD2 LYS 93 1HD LYS 93 -0.596 17.364 -0.329 748 HD3 LYS 93 2HD LYS 93 0.676 18.015 0.685 749 HE2 LYS 93 1HE LYS 93 1.596 16.033 -1.349 750 HE3 LYS 93 2HE LYS 93 0.941 17.516 -2.015 751 HZ1 LYS 93 1HZ LYS 93 3.034 17.407 0.045 752 HZ2 LYS 93 2HZ LYS 93 3.303 17.656 -1.546 753 HZ3 LYS 93 3HZ LYS 93 2.467 18.758 -0.677 754 H LEU 94 H LEU 94 0.500 13.484 4.553 755 HA LEU 94 HA LEU 94 -1.482 12.224 2.793 756 HB2 LEU 94 1HB LEU 94 0.388 10.999 4.687 757 HB3 LEU 94 2HB LEU 94 -1.281 10.536 4.956 758 HG LEU 94 HG LEU 94 0.179 10.277 2.312 759 HD11 LEU 94 1HD1 LEU 94 0.324 8.657 4.666 760 HD12 LEU 94 2HD1 LEU 94 -0.519 7.746 3.390 761 HD13 LEU 94 3HD1 LEU 94 1.101 8.415 3.083 762 HD21 LEU 94 1HD2 LEU 94 -2.134 10.516 1.859 763 HD22 LEU 94 2HD2 LEU 94 -1.778 8.774 1.766 764 HD23 LEU 94 3HD2 LEU 94 -2.586 9.441 3.205 765 H SER 95 H SER 95 -0.894 12.553 6.362 766 HA SER 95 HA SER 95 -2.131 13.335 7.963 767 HB2 SER 95 1HB SER 95 -3.095 15.454 7.729 768 HB3 SER 95 2HB SER 95 -1.980 15.421 6.378 769 HG SER 95 HG SER 95 -3.916 14.560 5.110 770 H GLY 96 H GLY 96 -4.286 13.150 8.993 771 HA2 GLY 96 1HA GLY 96 -6.575 12.349 7.516 772 HA3 GLY 96 2HA GLY 96 -5.752 10.947 8.172 773 HA PRO 97 HA PRO 97 -8.305 13.061 11.427 774 HB2 PRO 97 1HB PRO 97 -10.606 11.586 11.381 775 HB3 PRO 97 2HB PRO 97 -10.446 13.137 10.582 776 HG2 PRO 97 1HG PRO 97 -10.477 10.433 9.389 777 HG3 PRO 97 2HG PRO 97 -10.744 11.979 8.610 778 HD2 PRO 97 1HD PRO 97 -8.363 10.385 8.487 779 HD3 PRO 97 2HD PRO 97 -8.591 11.983 7.805 780 H SER 98 H SER 98 -7.726 12.577 13.447 781 HA SER 98 HA SER 98 -6.520 10.171 13.939 782 HB2 SER 98 1HB SER 98 -6.780 10.810 16.376 783 HB3 SER 98 2HB SER 98 -6.085 12.063 15.367 784 HG SER 98 HG SER 98 -8.835 11.886 16.260 785 H SER 99 H SER 99 -7.216 8.411 15.491 786 HA SER 99 HA SER 99 -9.687 7.402 14.691 787 HB2 SER 99 1HB SER 99 -7.633 6.086 15.428 788 HB3 SER 99 2HB SER 99 -8.016 6.519 17.083 789 HG SER 99 HG SER 99 -10.252 5.558 16.499 790 H GLY 100 H GLY 100 -8.504 8.482 17.966 791 HA2 GLY 100 1HA GLY 100 -11.166 8.485 19.053 792 HA3 GLY 100 2HA GLY 100 -9.684 8.996 19.836 Start of MODEL 9 1 H1 GLY 1 H GLY 1 42.908 24.914 20.501 2 HA2 GLY 1 1HA GLY 1 41.431 22.984 20.600 3 HA3 GLY 1 2HA GLY 1 42.537 22.256 21.748 4 H SER 2 H SER 2 41.529 22.196 23.717 5 HA SER 2 HA SER 2 40.579 22.867 25.549 6 HB2 SER 2 1HB SER 2 42.255 24.686 25.562 7 HB3 SER 2 2HB SER 2 41.212 25.686 24.569 8 HG SER 2 HG SER 2 40.013 24.701 26.927 9 H SER 3 H SER 3 38.439 23.314 26.308 10 HA SER 3 HA SER 3 36.309 23.713 26.191 11 HB2 SER 3 1HB SER 3 37.091 26.043 25.500 12 HB3 SER 3 2HB SER 3 36.833 25.571 23.832 13 HG SER 3 HG SER 3 35.022 26.713 25.114 14 H GLY 4 H GLY 4 34.870 22.185 25.469 15 HA2 GLY 4 1HA GLY 4 33.935 21.789 22.961 16 HA3 GLY 4 2HA GLY 4 35.389 20.812 22.984 17 H SER 5 H SER 5 32.356 21.466 24.855 18 HA SER 5 HA SER 5 31.723 18.771 24.984 19 HB2 SER 5 1HB SER 5 31.976 18.471 27.499 20 HB3 SER 5 2HB SER 5 33.474 18.447 26.591 21 HG SER 5 HG SER 5 32.749 21.020 27.413 22 H SER 6 H SER 6 29.579 19.279 24.578 23 HA SER 6 HA SER 6 28.213 20.672 26.689 24 HB2 SER 6 1HB SER 6 26.949 21.894 24.621 25 HB3 SER 6 2HB SER 6 28.285 22.623 25.491 26 HG SER 6 HG SER 6 29.623 21.326 23.764 27 H GLY 7 H GLY 7 27.937 19.232 23.361 28 HA2 GLY 7 1HA GLY 7 26.578 17.636 22.548 29 HA3 GLY 7 2HA GLY 7 26.249 17.134 24.195 30 H ASN 8 H ASN 8 24.190 16.996 22.349 31 HA ASN 8 HA ASN 8 22.511 19.185 23.275 32 HB2 ASN 8 1HB ASN 8 23.265 19.148 20.711 33 HB3 ASN 8 2HB ASN 8 22.056 17.888 20.566 34 HD21 ASN 8 1HD2 ASN 8 20.003 18.415 20.332 35 HD22 ASN 8 2HD2 ASN 8 19.312 19.991 20.525 36 H LEU 9 H LEU 9 20.025 18.375 22.515 37 HA LEU 9 HA LEU 9 19.677 15.548 22.682 38 HB2 LEU 9 1HB LEU 9 18.768 15.314 24.793 39 HB3 LEU 9 2HB LEU 9 20.210 16.276 25.050 40 HG LEU 9 HG LEU 9 18.476 17.156 26.430 41 HD11 LEU 9 1HD1 LEU 9 20.000 18.736 25.096 42 HD12 LEU 9 2HD1 LEU 9 18.551 19.099 24.128 43 HD13 LEU 9 3HD1 LEU 9 18.557 19.425 25.878 44 HD21 LEU 9 1HD2 LEU 9 16.704 16.222 24.599 45 HD22 LEU 9 2HD2 LEU 9 16.297 17.352 25.913 46 HD23 LEU 9 3HD2 LEU 9 16.628 17.971 24.277 47 H SER 10 H SER 10 17.460 14.935 22.254 48 HA SER 10 HA SER 10 15.666 17.132 21.743 49 HB2 SER 10 1HB SER 10 15.309 16.670 19.448 50 HB3 SER 10 2HB SER 10 17.052 16.612 19.624 51 HG SER 10 HG SER 10 16.137 14.801 18.391 52 H ALA 11 H ALA 11 13.402 16.210 21.104 53 HA ALA 11 HA ALA 11 12.791 14.139 22.966 54 HB1 ALA 11 1HB ALA 11 10.923 15.288 20.878 55 HB2 ALA 11 2HB ALA 11 10.545 14.705 22.517 56 HB3 ALA 11 3HB ALA 11 11.421 16.239 22.298 57 H SER 12 H SER 12 11.174 12.328 22.130 58 HA SER 12 HA SER 12 12.177 11.328 19.593 59 HB2 SER 12 1HB SER 12 11.850 9.594 22.078 60 HB3 SER 12 2HB SER 12 12.466 9.081 20.520 61 HG SER 12 HG SER 12 14.213 10.737 20.859 62 H ASN 13 H ASN 13 10.488 10.758 18.263 63 HA ASN 13 HA ASN 13 8.302 9.324 19.137 64 HB2 ASN 13 1HB ASN 13 8.055 12.118 19.707 65 HB3 ASN 13 2HB ASN 13 7.042 11.835 18.306 66 HD21 ASN 13 1HD2 ASN 13 5.179 12.199 19.487 67 HD22 ASN 13 2HD2 ASN 13 4.524 11.050 20.606 68 H ARG 14 H ARG 14 7.381 8.426 17.244 69 HA ARG 14 HA ARG 14 7.242 9.914 14.865 70 HB2 ARG 14 1HB ARG 14 9.710 8.572 15.307 71 HB3 ARG 14 2HB ARG 14 8.840 7.547 14.183 72 HG2 ARG 14 1HG ARG 14 8.433 9.537 12.703 73 HG3 ARG 14 2HG ARG 14 9.339 10.540 13.819 74 HD2 ARG 14 1HD ARG 14 11.356 9.787 13.041 75 HD3 ARG 14 2HD ARG 14 10.835 8.114 13.044 76 HE ARG 14 HE ARG 14 9.509 9.507 10.908 77 HH11 ARG 14 2HH2 ARG 14 12.680 8.275 11.808 78 HH12 ARG 14 1HH2 ARG 14 13.200 8.053 10.170 79 HH21 ARG 14 2HH1 ARG 14 10.194 9.215 8.747 80 HH22 ARG 14 1HH1 ARG 14 11.776 8.591 8.418 81 H ALA 15 H ALA 15 6.217 8.563 13.074 82 HA ALA 15 HA ALA 15 5.352 5.925 13.701 83 HB1 ALA 15 1HB ALA 15 3.125 6.278 14.258 84 HB2 ALA 15 2HB ALA 15 3.894 7.654 15.084 85 HB3 ALA 15 3HB ALA 15 3.085 7.896 13.517 86 H LEU 16 H LEU 16 4.675 4.866 11.823 87 HA LEU 16 HA LEU 16 4.766 6.548 9.422 88 HB2 LEU 16 1HB LEU 16 5.262 3.582 9.710 89 HB3 LEU 16 2HB LEU 16 5.403 4.520 8.237 90 HG LEU 16 HG LEU 16 7.106 4.936 10.710 91 HD11 LEU 16 1HD1 LEU 16 7.266 2.937 8.641 92 HD12 LEU 16 2HD1 LEU 16 8.685 4.011 8.572 93 HD13 LEU 16 3HD1 LEU 16 8.283 3.164 10.085 94 HD21 LEU 16 1HD2 LEU 16 6.596 6.700 8.636 95 HD22 LEU 16 2HD2 LEU 16 7.987 6.742 9.747 96 HD23 LEU 16 3HD2 LEU 16 8.133 5.934 8.168 97 HA PRO 17 HA PRO 17 0.656 5.547 8.574 98 HB2 PRO 17 1HB PRO 17 0.573 5.607 5.843 99 HB3 PRO 17 2HB PRO 17 0.554 7.052 6.834 100 HG2 PRO 17 1HG PRO 17 2.773 5.930 5.235 101 HG3 PRO 17 2HG PRO 17 2.590 7.552 5.873 102 HD2 PRO 17 1HD PRO 17 4.271 5.476 6.919 103 HD3 PRO 17 2HD PRO 17 3.999 7.058 7.621 104 H VAL 18 H VAL 18 -0.953 4.048 7.632 105 HA VAL 18 HA VAL 18 0.378 1.445 7.390 106 HB VAL 18 HB VAL 18 -2.376 2.252 8.335 107 HG11 VAL 18 1HG1 VAL 18 -2.856 -0.099 8.699 108 HG12 VAL 18 2HG1 VAL 18 -2.459 0.167 6.984 109 HG13 VAL 18 3HG1 VAL 18 -1.254 -0.558 8.075 110 HG21 VAL 18 1HG2 VAL 18 -1.030 2.580 10.170 111 HG22 VAL 18 2HG2 VAL 18 -1.409 0.852 10.369 112 HG23 VAL 18 3HG2 VAL 18 0.150 1.346 9.668 113 H LEU 19 H LEU 19 0.537 0.683 5.351 114 HA LEU 19 HA LEU 19 -1.415 1.668 3.407 115 HB2 LEU 19 1HB LEU 19 0.936 2.092 2.928 116 HB3 LEU 19 2HB LEU 19 1.295 0.381 3.047 117 HG LEU 19 HG LEU 19 -0.551 0.220 1.130 118 HD11 LEU 19 1HD1 LEU 19 0.641 2.945 0.580 119 HD12 LEU 19 2HD1 LEU 19 -0.593 2.072 -0.362 120 HD13 LEU 19 3HD1 LEU 19 -0.985 2.695 1.259 121 HD21 LEU 19 1HD2 LEU 19 1.885 1.112 -0.145 122 HD22 LEU 19 2HD2 LEU 19 2.246 0.103 1.276 123 HD23 LEU 19 3HD2 LEU 19 1.197 -0.525 -0.017 124 H THR 20 H THR 20 -3.159 0.394 3.114 125 HA THR 20 HA THR 20 -3.029 -2.392 3.841 126 HB THR 20 HB THR 20 -5.338 -0.955 2.473 127 HG1 THR 20 1HG THR 20 -5.765 -0.215 4.732 128 HG21 THR 20 1HG2 THR 20 -5.709 -3.326 3.105 129 HG22 THR 20 2HG2 THR 20 -5.107 -2.996 4.747 130 HG23 THR 20 3HG2 THR 20 -6.632 -2.264 4.195 131 H LEU 21 H LEU 21 -2.058 -3.834 2.560 132 HA LEU 21 HA LEU 21 -2.311 -3.417 -0.328 133 HB2 LEU 21 1HB LEU 21 -0.072 -3.544 0.096 134 HB3 LEU 21 2HB LEU 21 -0.261 -4.645 1.446 135 HG LEU 21 HG LEU 21 -0.718 -6.499 -0.102 136 HD11 LEU 21 1HD1 LEU 21 -0.362 -4.390 -2.241 137 HD12 LEU 21 2HD1 LEU 21 -0.268 -6.140 -2.553 138 HD13 LEU 21 3HD1 LEU 21 -1.779 -5.425 -1.939 139 HD21 LEU 21 1HD2 LEU 21 1.773 -5.460 -1.284 140 HD22 LEU 21 2HD2 LEU 21 1.702 -5.396 0.493 141 HD23 LEU 21 3HD2 LEU 21 1.466 -6.945 -0.351 142 H PHE 22 H PHE 22 -3.727 -4.639 -1.449 143 HA PHE 22 HA PHE 22 -4.692 -7.064 -0.111 144 HB2 PHE 22 1HB PHE 22 -5.853 -5.126 -2.197 145 HB3 PHE 22 2HB PHE 22 -6.652 -6.627 -1.772 146 HD1 PHE 22 2HD PHE 22 -7.164 -6.954 0.777 147 HD2 PHE 22 1HD PHE 22 -6.379 -3.195 -1.028 148 HE1 PHE 22 2HE PHE 22 -8.324 -5.799 2.680 149 HE2 PHE 22 1HE PHE 22 -7.538 -2.039 0.875 150 HZ PHE 22 HZ PHE 22 -8.497 -3.355 2.706 151 H THR 23 H THR 23 -3.371 -8.703 -0.884 152 HA THR 23 HA THR 23 -3.027 -8.827 -3.803 153 HB THR 23 HB THR 23 -0.874 -8.840 -2.811 154 HG1 THR 23 1HG THR 23 -1.751 -11.624 -2.578 155 HG21 THR 23 1HG2 THR 23 -1.213 -8.960 -0.453 156 HG22 THR 23 2HG2 THR 23 -2.233 -10.413 -0.588 157 HG23 THR 23 3HG2 THR 23 -0.474 -10.535 -0.829 158 H LYS 24 H LYS 24 -2.822 -11.226 -4.590 159 HA LYS 24 HA LYS 24 -4.434 -13.105 -3.198 160 HB2 LYS 24 1HB LYS 24 -6.372 -13.154 -4.529 161 HB3 LYS 24 2HB LYS 24 -6.141 -11.467 -4.117 162 HG2 LYS 24 1HG LYS 24 -5.969 -10.894 -6.305 163 HG3 LYS 24 2HG LYS 24 -4.665 -12.039 -6.550 164 HD2 LYS 24 1HD LYS 24 -6.040 -13.496 -7.619 165 HD3 LYS 24 2HD LYS 24 -7.190 -13.474 -6.297 166 HE2 LYS 24 1HE LYS 24 -8.420 -11.665 -7.214 167 HE3 LYS 24 2HE LYS 24 -7.076 -11.114 -8.194 168 HZ1 LYS 24 1HZ LYS 24 -9.090 -12.816 -8.946 169 HZ2 LYS 24 2HZ LYS 24 -7.780 -12.390 -9.823 170 HZ3 LYS 24 3HZ LYS 24 -7.742 -13.737 -8.900 171 H ALA 25 H ALA 25 -5.046 -14.913 -5.111 172 HA ALA 25 HA ALA 25 -2.935 -15.087 -7.051 173 HB1 ALA 25 1HB ALA 25 -1.902 -15.815 -4.837 174 HB2 ALA 25 2HB ALA 25 -3.045 -17.180 -4.851 175 HB3 ALA 25 3HB ALA 25 -1.838 -17.017 -6.149 176 HA PRO 26 HA PRO 26 -2.271 -16.533 -8.246 177 HB2 PRO 26 1HB PRO 26 -2.523 -16.842 -10.950 178 HB3 PRO 26 2HB PRO 26 -2.155 -18.167 -9.864 179 HG2 PRO 26 1HG PRO 26 -4.704 -17.537 -11.221 180 HG3 PRO 26 2HG PRO 26 -4.192 -19.046 -10.493 181 HD2 PRO 26 1HD PRO 26 -6.031 -17.144 -9.386 182 HD3 PRO 26 2HD PRO 26 -5.430 -18.595 -8.609 183 H CYS 27 H CYS 27 -1.190 -14.662 -8.560 184 HA CYS 27 HA CYS 27 -2.337 -12.743 -10.321 185 HB2 CYS 27 1HB CYS 27 -2.985 -12.583 -7.470 186 HB3 CYS 27 2HB CYS 27 -2.172 -11.141 -8.045 187 HG CYS 27 HG CYS 27 -4.251 -10.216 -8.748 188 HA PRO 28 HA PRO 28 2.067 -12.345 -10.076 189 HB2 PRO 28 1HB PRO 28 2.425 -11.187 -12.525 190 HB3 PRO 28 2HB PRO 28 2.378 -12.922 -12.283 191 HG2 PRO 28 1HG PRO 28 0.305 -11.154 -13.431 192 HG3 PRO 28 2HG PRO 28 0.461 -12.895 -13.565 193 HD2 PRO 28 1HD PRO 28 -1.364 -11.460 -11.881 194 HD3 PRO 28 2HD PRO 28 -1.127 -13.196 -11.931 195 H LEU 29 H LEU 29 -0.115 -9.782 -11.030 196 HA LEU 29 HA LEU 29 1.660 -7.684 -10.631 197 HB2 LEU 29 1HB LEU 29 -1.327 -7.962 -10.580 198 HB3 LEU 29 2HB LEU 29 -0.573 -6.438 -10.154 199 HG LEU 29 HG LEU 29 0.576 -6.440 -12.381 200 HD11 LEU 29 1HD1 LEU 29 -0.352 -7.934 -14.144 201 HD12 LEU 29 2HD1 LEU 29 0.594 -8.785 -12.899 202 HD13 LEU 29 3HD1 LEU 29 -1.184 -8.856 -12.868 203 HD21 LEU 29 1HD2 LEU 29 -1.847 -5.502 -11.718 204 HD22 LEU 29 2HD2 LEU 29 -1.140 -5.317 -13.341 205 HD23 LEU 29 3HD2 LEU 29 -2.319 -6.613 -13.026 206 H CYS 30 H CYS 30 -0.931 -8.859 -8.361 207 HA CYS 30 HA CYS 30 -0.355 -7.378 -6.220 208 HB2 CYS 30 1HB CYS 30 -0.982 -10.347 -6.120 209 HB3 CYS 30 2HB CYS 30 -1.220 -9.198 -4.819 210 HG CYS 30 HG CYS 30 -3.356 -10.075 -6.534 211 H ASP 31 H ASP 31 1.409 -10.293 -7.405 212 HA ASP 31 HA ASP 31 3.100 -10.521 -5.224 213 HB2 ASP 31 1HB ASP 31 2.682 -12.173 -7.164 214 HB3 ASP 31 2HB ASP 31 3.786 -11.202 -8.117 215 H GLU 32 H GLU 32 3.730 -9.215 -8.579 216 HA GLU 32 HA GLU 32 6.207 -8.212 -8.097 217 HB2 GLU 32 1HB GLU 32 4.538 -8.298 -10.248 218 HB3 GLU 32 2HB GLU 32 4.425 -6.590 -9.873 219 HG2 GLU 32 1HG GLU 32 6.410 -6.267 -10.915 220 HG3 GLU 32 2HG GLU 32 7.189 -7.206 -9.657 221 H ALA 33 H ALA 33 2.998 -6.583 -7.684 222 HA ALA 33 HA ALA 33 3.655 -4.068 -7.117 223 HB1 ALA 33 1HB ALA 33 1.878 -4.763 -5.048 224 HB2 ALA 33 2HB ALA 33 1.452 -4.199 -6.681 225 HB3 ALA 33 3HB ALA 33 1.565 -5.943 -6.343 226 H LYS 34 H LYS 34 3.642 -6.677 -4.577 227 HA LYS 34 HA LYS 34 4.703 -5.234 -2.539 228 HB2 LYS 34 1HB LYS 34 5.225 -8.141 -3.227 229 HB3 LYS 34 2HB LYS 34 5.526 -7.404 -1.667 230 HG2 LYS 34 1HG LYS 34 3.271 -7.243 -1.140 231 HG3 LYS 34 2HG LYS 34 2.785 -6.982 -2.803 232 HD2 LYS 34 1HD LYS 34 2.288 -9.179 -3.045 233 HD3 LYS 34 2HD LYS 34 3.927 -9.630 -2.619 234 HE2 LYS 34 1HE LYS 34 2.827 -8.924 -0.144 235 HE3 LYS 34 2HE LYS 34 1.474 -9.681 -0.961 236 HZ1 LYS 34 1HZ LYS 34 3.924 -11.092 -1.300 237 HZ2 LYS 34 2HZ LYS 34 3.461 -10.989 0.262 238 HZ3 LYS 34 3HZ LYS 34 2.458 -11.648 -0.846 239 H GLU 35 H GLU 35 6.519 -7.013 -5.123 240 HA GLU 35 HA GLU 35 9.023 -6.439 -4.197 241 HB2 GLU 35 1HB GLU 35 8.290 -6.537 -7.147 242 HB3 GLU 35 2HB GLU 35 9.805 -7.014 -6.407 243 HG2 GLU 35 1HG GLU 35 8.304 -8.717 -5.040 244 HG3 GLU 35 2HG GLU 35 7.125 -8.430 -6.304 245 H VAL 36 H VAL 36 6.649 -4.358 -5.766 246 HA VAL 36 HA VAL 36 8.603 -2.364 -6.481 247 HB VAL 36 HB VAL 36 5.587 -2.191 -6.452 248 HG11 VAL 36 1HG1 VAL 36 5.788 -0.347 -7.875 249 HG12 VAL 36 2HG1 VAL 36 7.102 -0.100 -6.699 250 HG13 VAL 36 3HG1 VAL 36 7.466 -0.745 -8.318 251 HG21 VAL 36 1HG2 VAL 36 6.807 -4.137 -7.796 252 HG22 VAL 36 2HG2 VAL 36 5.433 -3.240 -8.485 253 HG23 VAL 36 3HG2 VAL 36 7.097 -2.820 -8.958 254 H LEU 37 H LEU 37 6.756 -3.327 -3.693 255 HA LEU 37 HA LEU 37 7.045 -0.665 -2.520 256 HB2 LEU 37 1HB LEU 37 5.460 -3.092 -1.674 257 HB3 LEU 37 2HB LEU 37 5.594 -1.625 -0.726 258 HG LEU 37 HG LEU 37 4.165 -2.074 -3.332 259 HD11 LEU 37 1HD1 LEU 37 3.418 -0.918 -0.639 260 HD12 LEU 37 2HD1 LEU 37 2.378 -0.799 -2.079 261 HD13 LEU 37 3HD1 LEU 37 2.804 -2.396 -1.418 262 HD21 LEU 37 1HD2 LEU 37 5.114 0.598 -2.270 263 HD22 LEU 37 2HD2 LEU 37 5.496 -0.150 -3.839 264 HD23 LEU 37 3HD2 LEU 37 3.838 0.399 -3.495 265 H GLN 38 H GLN 38 8.938 -3.299 -3.008 266 HA GLN 38 HA GLN 38 9.774 -4.148 -0.574 267 HB2 GLN 38 1HB GLN 38 10.797 -4.123 -3.304 268 HB3 GLN 38 2HB GLN 38 12.116 -3.919 -2.168 269 HG2 GLN 38 1HG GLN 38 10.357 -5.943 -1.106 270 HG3 GLN 38 2HG GLN 38 10.647 -6.325 -2.792 271 HE21 GLN 38 1HE2 GLN 38 13.187 -5.233 -3.121 272 HE22 GLN 38 2HE2 GLN 38 14.346 -6.149 -2.217 273 HA PRO 39 HA PRO 39 12.701 -0.417 -0.405 274 HB2 PRO 39 1HB PRO 39 12.442 1.611 -2.219 275 HB3 PRO 39 2HB PRO 39 13.594 0.303 -2.402 276 HG2 PRO 39 1HG PRO 39 11.039 0.734 -3.824 277 HG3 PRO 39 2HG PRO 39 12.383 -0.298 -4.271 278 HD2 PRO 39 1HD PRO 39 9.889 -1.129 -3.125 279 HD3 PRO 39 2HD PRO 39 11.276 -2.144 -3.464 280 H TYR 40 H TYR 40 9.452 -0.481 -0.550 281 HA TYR 40 HA TYR 40 9.297 2.024 0.990 282 HB2 TYR 40 1HB TYR 40 7.268 0.493 -0.756 283 HB3 TYR 40 2HB TYR 40 6.881 1.957 0.125 284 HD1 TYR 40 1HD TYR 40 7.755 4.142 -0.612 285 HD2 TYR 40 2HD TYR 40 8.577 0.564 -2.810 286 HE1 TYR 40 1HE TYR 40 8.489 5.530 -2.612 287 HE2 TYR 40 2HE TYR 40 9.308 1.964 -4.802 288 HH TYR 40 HH TYR 40 9.740 3.956 -5.537 289 H LYS 41 H LYS 41 9.858 -0.943 1.738 290 HA LYS 41 HA LYS 41 7.490 -1.706 3.157 291 HB2 LYS 41 1HB LYS 41 10.303 -2.811 3.017 292 HB3 LYS 41 2HB LYS 41 9.071 -3.488 4.063 293 HG2 LYS 41 1HG LYS 41 7.573 -3.608 1.932 294 HG3 LYS 41 2HG LYS 41 9.042 -3.309 1.025 295 HD2 LYS 41 1HD LYS 41 10.097 -5.323 1.929 296 HD3 LYS 41 2HD LYS 41 8.779 -5.570 3.057 297 HE2 LYS 41 1HE LYS 41 7.232 -5.713 0.969 298 HE3 LYS 41 2HE LYS 41 8.702 -5.835 0.023 299 HZ1 LYS 41 1HZ LYS 41 8.196 -7.999 0.494 300 HZ2 LYS 41 2HZ LYS 41 9.270 -7.677 1.682 301 HZ3 LYS 41 3HZ LYS 41 7.670 -7.698 2.010 302 H ASP 42 H ASP 42 10.809 -0.545 4.064 303 HA ASP 42 HA ASP 42 10.106 -0.345 6.773 304 HB2 ASP 42 1HB ASP 42 12.457 -0.524 5.641 305 HB3 ASP 42 2HB ASP 42 12.331 1.206 5.392 306 H ARG 43 H ARG 43 9.398 1.516 3.965 307 HA ARG 43 HA ARG 43 9.566 4.084 5.023 308 HB2 ARG 43 1HB ARG 43 8.193 2.786 2.670 309 HB3 ARG 43 2HB ARG 43 7.668 4.398 3.114 310 HG2 ARG 43 1HG ARG 43 10.635 3.862 2.891 311 HG3 ARG 43 2HG ARG 43 9.704 4.025 1.415 312 HD2 ARG 43 1HD ARG 43 10.424 6.245 1.872 313 HD3 ARG 43 2HD ARG 43 8.766 6.227 2.439 314 HE ARG 43 HE ARG 43 11.205 6.234 4.139 315 HH11 ARG 43 2HH2 ARG 43 7.693 6.146 3.938 316 HH12 ARG 43 1HH2 ARG 43 7.459 6.586 5.596 317 HH21 ARG 43 2HH1 ARG 43 10.897 6.815 6.328 318 HH22 ARG 43 1HH1 ARG 43 9.294 6.970 6.965 319 H PHE 44 H PHE 44 6.839 1.714 4.679 320 HA PHE 44 HA PHE 44 5.512 3.075 6.886 321 HB2 PHE 44 1HB PHE 44 3.350 2.733 5.448 322 HB3 PHE 44 2HB PHE 44 4.411 4.037 4.952 323 HD1 PHE 44 2HD PHE 44 4.095 0.363 4.320 324 HD2 PHE 44 1HD PHE 44 4.772 4.223 2.693 325 HE1 PHE 44 2HE PHE 44 4.246 -0.633 2.021 326 HE2 PHE 44 1HE PHE 44 4.923 3.227 0.394 327 HZ PHE 44 HZ PHE 44 4.658 0.811 0.085 328 H ILE 45 H ILE 45 3.222 1.626 7.127 329 HA ILE 45 HA ILE 45 4.287 -1.050 7.587 330 HB ILE 45 HB ILE 45 1.917 0.446 8.700 331 HG12 ILE 45 1HG1 ILE 45 4.159 -0.670 10.338 332 HG13 ILE 45 2HG1 ILE 45 4.455 0.789 9.413 333 HG21 ILE 45 1HG2 ILE 45 2.258 -2.381 8.431 334 HG22 ILE 45 2HG2 ILE 45 2.396 -1.945 10.151 335 HG23 ILE 45 3HG2 ILE 45 0.949 -1.475 9.228 336 HD11 ILE 45 1HD1 ILE 45 2.020 1.413 10.508 337 HD12 ILE 45 2HD1 ILE 45 2.696 0.368 11.781 338 HD13 ILE 45 3HD1 ILE 45 3.579 1.824 11.263 339 H LEU 46 H LEU 46 4.120 -2.210 5.698 340 HA LEU 46 HA LEU 46 1.841 -1.900 4.006 341 HB2 LEU 46 1HB LEU 46 4.103 -2.365 3.173 342 HB3 LEU 46 2HB LEU 46 4.088 -3.920 3.981 343 HG LEU 46 HG LEU 46 2.221 -4.660 2.556 344 HD11 LEU 46 1HD1 LEU 46 2.200 -1.820 1.791 345 HD12 LEU 46 2HD1 LEU 46 2.076 -2.955 0.426 346 HD13 LEU 46 3HD1 LEU 46 0.900 -3.036 1.760 347 HD21 LEU 46 1HD2 LEU 46 4.892 -4.378 1.854 348 HD22 LEU 46 2HD2 LEU 46 3.686 -5.422 1.063 349 HD23 LEU 46 3HD2 LEU 46 4.006 -3.791 0.425 350 H GLN 47 H GLN 47 -0.127 -2.592 4.670 351 HA GLN 47 HA GLN 47 -0.208 -4.948 6.339 352 HB2 GLN 47 1HB GLN 47 -1.536 -2.642 6.624 353 HB3 GLN 47 2HB GLN 47 -2.674 -3.410 5.535 354 HG2 GLN 47 1HG GLN 47 -2.721 -5.419 7.091 355 HG3 GLN 47 2HG GLN 47 -1.700 -4.531 8.205 356 HE21 GLN 47 1HE2 GLN 47 -3.071 -4.291 9.861 357 HE22 GLN 47 2HE2 GLN 47 -4.554 -3.396 9.821 358 H GLU 48 H GLU 48 0.033 -6.774 5.053 359 HA GLU 48 HA GLU 48 -1.226 -6.868 2.506 360 HB2 GLU 48 1HB GLU 48 0.701 -8.486 4.052 361 HB3 GLU 48 2HB GLU 48 -0.405 -9.467 3.112 362 HG2 GLU 48 1HG GLU 48 0.476 -8.781 1.105 363 HG3 GLU 48 2HG GLU 48 0.645 -7.117 1.630 364 H VAL 49 H VAL 49 -3.436 -7.041 2.424 365 HA VAL 49 HA VAL 49 -4.736 -8.712 4.432 366 HB VAL 49 HB VAL 49 -5.782 -6.702 2.430 367 HG11 VAL 49 1HG1 VAL 49 -7.163 -8.723 4.106 368 HG12 VAL 49 2HG1 VAL 49 -7.841 -7.078 4.153 369 HG13 VAL 49 3HG1 VAL 49 -7.680 -7.930 2.599 370 HG21 VAL 49 1HG2 VAL 49 -5.087 -6.605 5.343 371 HG22 VAL 49 2HG2 VAL 49 -4.845 -5.387 4.067 372 HG23 VAL 49 3HG2 VAL 49 -6.465 -5.641 4.760 373 H ASP 50 H ASP 50 -5.606 -10.686 3.956 374 HA ASP 50 HA ASP 50 -5.138 -11.619 1.278 375 HB2 ASP 50 1HB ASP 50 -5.806 -12.875 3.943 376 HB3 ASP 50 2HB ASP 50 -6.165 -13.786 2.490 377 H ILE 51 H ILE 51 -6.827 -10.993 -0.118 378 HA ILE 51 HA ILE 51 -9.519 -10.835 0.870 379 HB ILE 51 HB ILE 51 -10.038 -10.105 -1.404 380 HG12 ILE 51 1HG1 ILE 51 -7.109 -10.298 -2.098 381 HG13 ILE 51 2HG1 ILE 51 -8.201 -11.633 -2.413 382 HG21 ILE 51 1HG2 ILE 51 -7.564 -8.591 -0.670 383 HG22 ILE 51 2HG2 ILE 51 -9.176 -7.999 -1.138 384 HG23 ILE 51 3HG2 ILE 51 -8.910 -8.665 0.491 385 HD11 ILE 51 1HD1 ILE 51 -9.716 -9.687 -3.485 386 HD12 ILE 51 2HD1 ILE 51 -8.131 -8.896 -3.657 387 HD13 ILE 51 3HD1 ILE 51 -8.422 -10.480 -4.415 388 H THR 52 H THR 52 -7.427 -13.205 -0.642 389 HA THR 52 HA THR 52 -9.386 -14.754 -1.925 390 HB THR 52 HB THR 52 -7.528 -16.535 -1.626 391 HG1 THR 52 1HG THR 52 -5.983 -15.919 -0.159 392 HG21 THR 52 1HG2 THR 52 -7.429 -14.003 -3.088 393 HG22 THR 52 2HG2 THR 52 -5.797 -14.471 -2.555 394 HG23 THR 52 3HG2 THR 52 -6.759 -15.584 -3.557 395 H LEU 53 H LEU 53 -8.929 -14.069 1.402 396 HA LEU 53 HA LEU 53 -9.834 -16.604 2.362 397 HB2 LEU 53 1HB LEU 53 -9.372 -13.904 3.610 398 HB3 LEU 53 2HB LEU 53 -10.090 -15.227 4.507 399 HG LEU 53 HG LEU 53 -7.394 -15.421 3.144 400 HD11 LEU 53 1HD1 LEU 53 -7.884 -14.854 6.076 401 HD12 LEU 53 2HD1 LEU 53 -6.326 -14.925 5.219 402 HD13 LEU 53 3HD1 LEU 53 -7.471 -13.608 4.874 403 HD21 LEU 53 1HD2 LEU 53 -8.640 -17.121 5.321 404 HD22 LEU 53 2HD2 LEU 53 -8.544 -17.557 3.598 405 HD23 LEU 53 3HD2 LEU 53 -7.054 -17.363 4.552 406 HA PRO 54 HA PRO 54 -14.087 -15.928 2.102 407 HB2 PRO 54 1HB PRO 54 -15.059 -17.308 4.251 408 HB3 PRO 54 2HB PRO 54 -14.565 -18.083 2.759 409 HG2 PRO 54 1HG PRO 54 -13.161 -18.003 5.360 410 HG3 PRO 54 2HG PRO 54 -12.914 -19.095 4.012 411 HD2 PRO 54 1HD PRO 54 -11.262 -16.866 4.739 412 HD3 PRO 54 2HD PRO 54 -11.082 -17.887 3.326 413 H GLU 55 H GLU 55 -12.897 -15.383 5.369 414 HA GLU 55 HA GLU 55 -15.046 -13.774 6.087 415 HB2 GLU 55 1HB GLU 55 -13.602 -13.074 7.975 416 HB3 GLU 55 2HB GLU 55 -13.542 -14.808 7.736 417 HG2 GLU 55 1HG GLU 55 -11.425 -14.472 6.353 418 HG3 GLU 55 2HG GLU 55 -11.461 -12.778 6.803 419 H ASN 56 H ASN 56 -12.411 -13.242 3.920 420 HA ASN 56 HA ASN 56 -12.780 -10.365 4.180 421 HB2 ASN 56 1HB ASN 56 -10.504 -11.975 2.908 422 HB3 ASN 56 2HB ASN 56 -10.598 -10.226 2.877 423 HD21 ASN 56 1HD2 ASN 56 -8.616 -12.018 4.061 424 HD22 ASN 56 2HD2 ASN 56 -8.499 -11.620 5.742 425 H SER 57 H SER 57 -14.085 -12.888 2.588 426 HA SER 57 HA SER 57 -13.671 -12.633 -0.060 427 HB2 SER 57 1HB SER 57 -15.099 -14.373 0.841 428 HB3 SER 57 2HB SER 57 -16.240 -13.201 1.471 429 HG SER 57 HG SER 57 -16.976 -14.176 -0.529 430 H THR 58 H THR 58 -15.175 -10.348 2.136 431 HA THR 58 HA THR 58 -16.728 -8.953 0.206 432 HB THR 58 HB THR 58 -15.690 -8.411 3.023 433 HG1 THR 58 1HG THR 58 -17.927 -8.865 3.391 434 HG21 THR 58 1HG2 THR 58 -16.109 -6.274 1.457 435 HG22 THR 58 2HG2 THR 58 -17.817 -6.715 1.694 436 HG23 THR 58 3HG2 THR 58 -16.793 -6.332 3.099 437 H TRP 59 H TRP 59 -13.379 -8.615 1.470 438 HA TRP 59 HA TRP 59 -12.857 -6.179 0.192 439 HB2 TRP 59 1HB TRP 59 -11.214 -8.375 1.377 440 HB3 TRP 59 2HB TRP 59 -10.419 -7.174 0.378 441 HD1 TRP 59 HD TRP 59 -11.318 -7.710 3.898 442 HE1 TRP 59 1HE TRP 59 -11.209 -5.528 5.378 443 HE3 TRP 59 3HE TRP 59 -11.135 -4.447 0.003 444 HZ2 TRP 59 2HZ TRP 59 -11.062 -2.744 4.767 445 HZ3 TRP 59 3HZ TRP 59 -11.010 -2.014 0.532 446 HH2 TRP 59 HH TRP 59 -10.972 -1.147 2.817 447 H TYR 60 H TYR 60 -12.948 -9.577 -0.857 448 HA TYR 60 HA TYR 60 -11.588 -9.022 -3.335 449 HB2 TYR 60 1HB TYR 60 -11.600 -11.202 -1.934 450 HB3 TYR 60 2HB TYR 60 -13.297 -11.384 -2.335 451 HD1 TYR 60 2HD TYR 60 -13.971 -11.776 -4.735 452 HD2 TYR 60 1HD TYR 60 -9.886 -11.859 -3.465 453 HE1 TYR 60 2HE TYR 60 -13.329 -13.023 -6.856 454 HE2 TYR 60 1HE TYR 60 -9.258 -13.105 -5.590 455 HH TYR 60 HH TYR 60 -10.326 -14.540 -7.214 456 H GLU 61 H GLU 61 -14.953 -9.921 -2.298 457 HA GLU 61 HA GLU 61 -16.079 -9.947 -4.768 458 HB2 GLU 61 1HB GLU 61 -17.203 -9.141 -2.060 459 HB3 GLU 61 2HB GLU 61 -18.217 -9.239 -3.486 460 HG2 GLU 61 1HG GLU 61 -17.819 -11.592 -3.753 461 HG3 GLU 61 2HG GLU 61 -16.435 -11.567 -2.678 462 H ARG 62 H ARG 62 -14.763 -7.245 -3.014 463 HA ARG 62 HA ARG 62 -16.266 -5.402 -4.669 464 HB2 ARG 62 1HB ARG 62 -15.543 -3.659 -3.126 465 HB3 ARG 62 2HB ARG 62 -16.105 -5.013 -2.165 466 HG2 ARG 62 1HG ARG 62 -13.803 -5.767 -1.767 467 HG3 ARG 62 2HG ARG 62 -13.170 -4.575 -2.885 468 HD2 ARG 62 1HD ARG 62 -14.569 -4.011 -0.228 469 HD3 ARG 62 2HD ARG 62 -12.873 -3.758 -0.588 470 HE ARG 62 HE ARG 62 -14.135 -2.237 -2.518 471 HH11 ARG 62 2HH2 ARG 62 -14.403 -2.403 0.987 472 HH12 ARG 62 1HH2 ARG 62 -14.855 -0.740 1.159 473 HH21 ARG 62 2HH1 ARG 62 -14.731 -0.042 -2.292 474 HH22 ARG 62 1HH1 ARG 62 -15.042 0.612 -0.718 475 H TYR 63 H TYR 63 -13.022 -6.707 -3.980 476 HA TYR 63 HA TYR 63 -12.022 -5.218 -6.303 477 HB2 TYR 63 1HB TYR 63 -10.774 -5.750 -3.536 478 HB3 TYR 63 2HB TYR 63 -9.840 -5.137 -4.886 479 HD1 TYR 63 1HD TYR 63 -11.698 -3.155 -6.076 480 HD2 TYR 63 2HD TYR 63 -10.822 -4.009 -1.976 481 HE1 TYR 63 1HE TYR 63 -12.341 -0.780 -5.436 482 HE2 TYR 63 2HE TYR 63 -11.468 -1.631 -1.350 483 HH TYR 63 HH TYR 63 -12.271 0.253 -2.037 484 H LYS 64 H LYS 64 -12.643 -7.347 -7.335 485 HA LYS 64 HA LYS 64 -10.597 -9.373 -6.750 486 HB2 LYS 64 1HB LYS 64 -12.162 -11.029 -7.622 487 HB3 LYS 64 2HB LYS 64 -12.857 -10.157 -6.270 488 HG2 LYS 64 1HG LYS 64 -13.951 -8.592 -8.015 489 HG3 LYS 64 2HG LYS 64 -13.454 -9.751 -9.232 490 HD2 LYS 64 1HD LYS 64 -15.031 -11.304 -8.597 491 HD3 LYS 64 2HD LYS 64 -14.836 -10.963 -6.889 492 HE2 LYS 64 1HE LYS 64 -15.974 -8.603 -7.731 493 HE3 LYS 64 2HE LYS 64 -16.696 -9.720 -8.872 494 HZ1 LYS 64 1HZ LYS 64 -18.021 -10.408 -7.277 495 HZ2 LYS 64 2HZ LYS 64 -16.764 -10.870 -6.342 496 HZ3 LYS 64 3HZ LYS 64 -17.361 -9.354 -6.219 497 H PHE 65 H PHE 65 -11.482 -6.870 -8.833 498 HA PHE 65 HA PHE 65 -9.843 -8.067 -10.938 499 HB2 PHE 65 1HB PHE 65 -11.576 -6.568 -12.393 500 HB3 PHE 65 2HB PHE 65 -11.957 -8.228 -11.980 501 HD1 PHE 65 2HD PHE 65 -12.354 -4.780 -10.605 502 HD2 PHE 65 1HD PHE 65 -13.989 -8.679 -10.978 503 HE1 PHE 65 2HE PHE 65 -14.446 -4.014 -9.449 504 HE2 PHE 65 1HE PHE 65 -16.081 -7.912 -9.822 505 HZ PHE 65 HZ PHE 65 -16.284 -5.589 -9.071 506 H ASP 66 H ASP 66 -9.712 -5.928 -8.614 507 HA ASP 66 HA ASP 66 -8.849 -3.749 -10.346 508 HB2 ASP 66 1HB ASP 66 -9.258 -3.422 -7.371 509 HB3 ASP 66 2HB ASP 66 -9.398 -2.217 -8.636 510 H ILE 67 H ILE 67 -8.188 -5.676 -7.344 511 HA ILE 67 HA ILE 67 -5.911 -4.699 -6.407 512 HB ILE 67 HB ILE 67 -5.221 -7.156 -6.075 513 HG12 ILE 67 1HG1 ILE 67 -7.805 -7.466 -7.590 514 HG13 ILE 67 2HG1 ILE 67 -6.284 -8.308 -7.813 515 HG21 ILE 67 1HG2 ILE 67 -6.297 -5.802 -4.366 516 HG22 ILE 67 2HG2 ILE 67 -7.894 -6.129 -5.082 517 HG23 ILE 67 3HG2 ILE 67 -6.955 -7.456 -4.358 518 HD11 ILE 67 1HD1 ILE 67 -8.349 -8.693 -5.626 519 HD12 ILE 67 2HD1 ILE 67 -7.628 -9.909 -6.708 520 HD13 ILE 67 3HD1 ILE 67 -6.665 -9.214 -5.382 521 HA PRO 68 HA PRO 68 -4.080 -5.641 -5.716 522 HB2 PRO 68 1HB PRO 68 -1.624 -4.478 -5.430 523 HB3 PRO 68 2HB PRO 68 -1.850 -6.206 -5.614 524 HG2 PRO 68 1HG PRO 68 -0.873 -4.244 -7.597 525 HG3 PRO 68 2HG PRO 68 -0.709 -5.989 -7.606 526 HD2 PRO 68 1HD PRO 68 -2.535 -4.429 -9.174 527 HD3 PRO 68 2HD PRO 68 -2.450 -6.177 -9.096 528 H VAL 69 H VAL 69 -5.012 -4.311 -4.279 529 HA VAL 69 HA VAL 69 -5.152 -1.535 -5.196 530 HB VAL 69 HB VAL 69 -6.829 -3.121 -3.242 531 HG11 VAL 69 1HG1 VAL 69 -7.172 -0.261 -4.206 532 HG12 VAL 69 2HG1 VAL 69 -8.312 -1.163 -3.178 533 HG13 VAL 69 3HG1 VAL 69 -6.687 -0.765 -2.570 534 HG21 VAL 69 1HG2 VAL 69 -8.376 -2.118 -5.384 535 HG22 VAL 69 2HG2 VAL 69 -6.914 -2.826 -6.111 536 HG23 VAL 69 3HG2 VAL 69 -7.945 -3.811 -5.046 537 H PHE 70 H PHE 70 -4.553 0.195 -3.836 538 HA PHE 70 HA PHE 70 -3.176 -0.625 -1.378 539 HB2 PHE 70 1HB PHE 70 -2.419 1.463 -3.510 540 HB3 PHE 70 2HB PHE 70 -1.535 1.237 -2.013 541 HD1 PHE 70 2HD PHE 70 -2.312 -0.233 -5.285 542 HD2 PHE 70 1HD PHE 70 -0.037 -0.629 -1.725 543 HE1 PHE 70 2HE PHE 70 -0.876 -1.966 -6.396 544 HE2 PHE 70 1HE PHE 70 1.399 -2.362 -2.835 545 HZ PHE 70 HZ PHE 70 0.962 -3.010 -5.158 546 H HIS 71 H HIS 71 -3.989 0.371 0.401 547 HA HIS 71 HA HIS 71 -5.365 2.918 -0.057 548 HB2 HIS 71 1HB HIS 71 -5.948 0.790 2.022 549 HB3 HIS 71 2HB HIS 71 -6.762 2.337 1.902 550 HD1 HIS 71 1HD HIS 71 -8.669 0.133 1.713 551 HD2 HIS 71 2HD HIS 71 -6.521 1.389 -1.663 552 HE1 HIS 71 1HE HIS 71 -9.993 -0.669 -0.315 553 H LEU 72 H LEU 72 -4.350 4.657 0.798 554 HA LEU 72 HA LEU 72 -2.435 4.130 2.955 555 HB2 LEU 72 1HB LEU 72 -2.154 5.444 0.510 556 HB3 LEU 72 2HB LEU 72 -2.256 6.735 1.690 557 HG LEU 72 HG LEU 72 -0.217 4.521 1.503 558 HD11 LEU 72 1HD1 LEU 72 -0.292 7.414 0.992 559 HD12 LEU 72 2HD1 LEU 72 1.104 6.876 1.956 560 HD13 LEU 72 3HD1 LEU 72 0.796 6.156 0.358 561 HD21 LEU 72 1HD2 LEU 72 0.599 5.924 3.686 562 HD22 LEU 72 2HD2 LEU 72 -1.165 5.913 3.925 563 HD23 LEU 72 3HD2 LEU 72 -0.281 4.378 3.743 564 H ASN 73 H ASN 73 -3.003 4.735 4.970 565 HA ASN 73 HA ASN 73 -3.967 5.769 6.612 566 HB2 ASN 73 1HB ASN 73 -3.998 7.912 4.502 567 HB3 ASN 73 2HB ASN 73 -5.065 8.172 5.867 568 HD21 ASN 73 1HD2 ASN 73 -1.868 8.197 4.696 569 HD22 ASN 73 2HD2 ASN 73 -1.034 8.638 6.149 570 H GLY 74 H GLY 74 -5.533 3.824 5.562 571 HA2 GLY 74 1HA GLY 74 -7.625 3.079 5.183 572 HA3 GLY 74 2HA GLY 74 -8.112 4.342 6.296 573 H GLN 75 H GLN 75 -6.597 4.713 3.033 574 HA GLN 75 HA GLN 75 -9.112 5.457 1.908 575 HB2 GLN 75 1HB GLN 75 -7.084 7.497 2.736 576 HB3 GLN 75 2HB GLN 75 -7.791 7.717 1.148 577 HG2 GLN 75 1HG GLN 75 -10.028 7.106 2.686 578 HG3 GLN 75 2HG GLN 75 -9.042 8.001 3.826 579 HE21 GLN 75 1HE2 GLN 75 -10.253 9.816 3.892 580 HE22 GLN 75 2HE2 GLN 75 -10.454 10.922 2.574 581 H PHE 76 H PHE 76 -9.101 4.588 -0.117 582 HA PHE 76 HA PHE 76 -7.088 3.255 -1.259 583 HB2 PHE 76 1HB PHE 76 -9.061 3.073 -2.499 584 HB3 PHE 76 2HB PHE 76 -9.557 4.704 -2.090 585 HD1 PHE 76 1HD PHE 76 -7.306 2.790 -4.340 586 HD2 PHE 76 2HD PHE 76 -9.382 6.429 -3.665 587 HE1 PHE 76 1HE PHE 76 -6.737 3.546 -6.664 588 HE2 PHE 76 2HE PHE 76 -8.812 7.185 -5.990 589 HZ PHE 76 HZ PHE 76 -7.496 5.734 -7.462 590 H LEU 77 H LEU 77 -5.032 3.772 -1.823 591 HA LEU 77 HA LEU 77 -4.465 6.552 -2.470 592 HB2 LEU 77 1HB LEU 77 -2.674 6.166 -1.257 593 HB3 LEU 77 2HB LEU 77 -3.127 4.485 -1.064 594 HG LEU 77 HG LEU 77 -2.013 4.170 -3.410 595 HD11 LEU 77 1HD1 LEU 77 -0.923 6.845 -2.535 596 HD12 LEU 77 2HD1 LEU 77 -0.028 5.758 -3.624 597 HD13 LEU 77 3HD1 LEU 77 -1.625 6.381 -4.104 598 HD21 LEU 77 1HD2 LEU 77 0.273 4.510 -1.773 599 HD22 LEU 77 2HD2 LEU 77 -1.069 4.027 -0.708 600 HD23 LEU 77 3HD2 LEU 77 -0.637 3.018 -2.109 601 H MET 78 H MET 78 -4.270 3.223 -3.837 602 HA MET 78 HA MET 78 -4.775 4.107 -6.397 603 HB2 MET 78 1HB MET 78 -2.615 4.052 -7.472 604 HB3 MET 78 2HB MET 78 -2.360 5.002 -6.022 605 HG2 MET 78 1HG MET 78 -1.583 2.871 -4.849 606 HG3 MET 78 2HG MET 78 -1.689 2.043 -6.390 607 HE1 MET 78 1HE MET 78 0.923 1.644 -5.352 608 HE2 MET 78 2HE MET 78 2.153 2.930 -5.401 609 HE3 MET 78 3HE MET 78 0.842 2.998 -4.199 610 H MET 79 H MET 79 -4.860 2.314 -7.947 611 HA MET 79 HA MET 79 -4.088 -0.258 -6.918 612 HB2 MET 79 1HB MET 79 -6.437 -1.159 -7.360 613 HB3 MET 79 2HB MET 79 -6.356 -0.050 -6.005 614 HG2 MET 79 1HG MET 79 -7.209 1.797 -7.380 615 HG3 MET 79 2HG MET 79 -7.107 0.825 -8.834 616 HE1 MET 79 1HE MET 79 -9.939 2.101 -8.379 617 HE2 MET 79 2HE MET 79 -10.840 1.494 -6.969 618 HE3 MET 79 3HE MET 79 -9.318 2.387 -6.736 619 H HIS 80 H HIS 80 -4.453 -2.022 -8.628 620 HA HIS 80 HA HIS 80 -4.596 -2.732 -10.742 621 HB2 HIS 80 1HB HIS 80 -4.674 0.119 -11.744 622 HB3 HIS 80 2HB HIS 80 -5.123 -1.337 -12.609 623 HD1 HIS 80 1HD HIS 80 -7.350 0.426 -12.792 624 HD2 HIS 80 2HD HIS 80 -6.727 -1.709 -9.235 625 HE1 HIS 80 1HE HIS 80 -9.588 0.411 -11.566 626 H ARG 81 H ARG 81 -2.282 -1.321 -9.046 627 HA ARG 81 HA ARG 81 -0.197 -2.379 -10.261 628 HB2 ARG 81 1HB ARG 81 -1.045 0.003 -11.770 629 HB3 ARG 81 2HB ARG 81 0.606 0.170 -11.205 630 HG2 ARG 81 1HG ARG 81 1.346 -1.760 -12.379 631 HG3 ARG 81 2HG ARG 81 -0.272 -2.420 -12.515 632 HD2 ARG 81 1HD ARG 81 -0.621 -1.350 -14.492 633 HD3 ARG 81 2HD ARG 81 -0.179 0.198 -13.799 634 HE ARG 81 HE ARG 81 1.943 -0.021 -14.750 635 HH11 ARG 81 2HH2 ARG 81 0.446 -3.201 -14.573 636 HH12 ARG 81 1HH2 ARG 81 1.718 -3.989 -15.446 637 HH21 ARG 81 2HH1 ARG 81 3.620 -1.060 -15.903 638 HH22 ARG 81 1HH1 ARG 81 3.535 -2.763 -16.208 639 H VAL 82 H VAL 82 1.923 -0.530 -9.939 640 HA VAL 82 HA VAL 82 1.416 0.668 -7.315 641 HB VAL 82 HB VAL 82 3.803 -1.041 -8.040 642 HG11 VAL 82 1HG1 VAL 82 4.797 -0.356 -6.147 643 HG12 VAL 82 2HG1 VAL 82 3.633 0.991 -6.173 644 HG13 VAL 82 3HG1 VAL 82 3.288 -0.465 -5.209 645 HG21 VAL 82 1HG2 VAL 82 2.648 -2.362 -5.990 646 HG22 VAL 82 2HG2 VAL 82 1.195 -1.685 -6.764 647 HG23 VAL 82 3HG2 VAL 82 2.304 -2.715 -7.701 648 H ASN 83 H ASN 83 1.261 2.695 -8.472 649 HA ASN 83 HA ASN 83 3.531 3.468 -10.023 650 HB2 ASN 83 1HB ASN 83 0.796 4.483 -9.477 651 HB3 ASN 83 2HB ASN 83 1.983 5.770 -9.564 652 HD21 ASN 83 1HD2 ASN 83 -0.244 4.761 -11.346 653 HD22 ASN 83 2HD2 ASN 83 0.454 4.619 -12.925 654 H THR 84 H THR 84 5.165 3.314 -8.240 655 HA THR 84 HA THR 84 5.138 4.344 -5.779 656 HB THR 84 HB THR 84 7.610 4.806 -6.200 657 HG1 THR 84 1HG THR 84 8.205 4.389 -8.486 658 HG21 THR 84 1HG2 THR 84 6.532 2.377 -6.037 659 HG22 THR 84 2HG2 THR 84 6.869 2.326 -7.784 660 HG23 THR 84 3HG2 THR 84 8.202 2.554 -6.626 661 H SER 85 H SER 85 5.723 6.328 -8.751 662 HA SER 85 HA SER 85 6.255 8.685 -7.712 663 HB2 SER 85 1HB SER 85 5.510 7.849 -10.172 664 HB3 SER 85 2HB SER 85 4.033 8.687 -9.737 665 HG SER 85 HG SER 85 5.131 10.632 -9.556 666 H LYS 86 H LYS 86 2.953 7.208 -7.892 667 HA LYS 86 HA LYS 86 1.660 9.427 -6.715 668 HB2 LYS 86 1HB LYS 86 0.870 7.178 -8.071 669 HB3 LYS 86 2HB LYS 86 0.396 6.774 -6.434 670 HG2 LYS 86 1HG LYS 86 -1.239 8.386 -6.364 671 HG3 LYS 86 2HG LYS 86 -0.253 9.569 -7.200 672 HD2 LYS 86 1HD LYS 86 -1.741 9.191 -8.913 673 HD3 LYS 86 2HD LYS 86 -0.670 7.850 -9.265 674 HE2 LYS 86 1HE LYS 86 -2.352 6.380 -8.878 675 HE3 LYS 86 2HE LYS 86 -2.499 6.957 -7.230 676 HZ1 LYS 86 1HZ LYS 86 -4.125 7.541 -9.480 677 HZ2 LYS 86 2HZ LYS 86 -4.459 7.700 -7.889 678 HZ3 LYS 86 3HZ LYS 86 -3.676 8.894 -8.682 679 H LEU 87 H LEU 87 2.497 6.139 -5.399 680 HA LEU 87 HA LEU 87 1.747 6.542 -2.825 681 HB2 LEU 87 1HB LEU 87 2.389 4.405 -3.353 682 HB3 LEU 87 2HB LEU 87 3.864 4.913 -4.151 683 HG LEU 87 HG LEU 87 4.868 5.440 -1.948 684 HD11 LEU 87 1HD1 LEU 87 2.431 4.132 -0.720 685 HD12 LEU 87 2HD1 LEU 87 3.819 4.869 0.116 686 HD13 LEU 87 3HD1 LEU 87 2.684 5.892 -0.797 687 HD21 LEU 87 1HD2 LEU 87 3.892 2.611 -1.766 688 HD22 LEU 87 2HD2 LEU 87 4.875 3.120 -3.161 689 HD23 LEU 87 3HD2 LEU 87 5.523 3.277 -1.510 690 H GLU 88 H GLU 88 5.156 7.024 -4.005 691 HA GLU 88 HA GLU 88 6.207 8.120 -1.835 692 HB2 GLU 88 1HB GLU 88 6.679 9.304 -4.601 693 HB3 GLU 88 2HB GLU 88 7.820 9.226 -3.272 694 HG2 GLU 88 1HG GLU 88 7.043 6.547 -3.615 695 HG3 GLU 88 2HG GLU 88 7.116 7.159 -5.256 696 H LYS 89 H LYS 89 4.399 9.982 -4.382 697 HA LYS 89 HA LYS 89 4.597 12.477 -3.343 698 HB2 LYS 89 1HB LYS 89 3.418 11.552 -5.475 699 HB3 LYS 89 2HB LYS 89 1.988 11.477 -4.466 700 HG2 LYS 89 1HG LYS 89 3.550 14.031 -4.327 701 HG3 LYS 89 2HG LYS 89 2.742 13.712 -5.849 702 HD2 LYS 89 1HD LYS 89 0.577 13.417 -4.677 703 HD3 LYS 89 2HD LYS 89 1.363 13.628 -3.124 704 HE2 LYS 89 1HE LYS 89 1.836 15.819 -5.107 705 HE3 LYS 89 2HE LYS 89 0.188 15.671 -4.531 706 HZ1 LYS 89 1HZ LYS 89 1.137 16.982 -2.954 707 HZ2 LYS 89 2HZ LYS 89 1.348 15.524 -2.251 708 HZ3 LYS 89 3HZ LYS 89 2.597 16.252 -3.012 709 H GLN 90 H GLN 90 2.077 10.001 -2.499 710 HA GLN 90 HA GLN 90 0.829 11.563 -0.608 711 HB2 GLN 90 1HB GLN 90 1.088 8.531 -0.795 712 HB3 GLN 90 2HB GLN 90 -0.028 9.350 0.280 713 HG2 GLN 90 1HG GLN 90 0.013 9.566 -2.768 714 HG3 GLN 90 2HG GLN 90 -1.170 8.693 -1.814 715 HE21 GLN 90 1HE2 GLN 90 -0.011 11.779 -2.875 716 HE22 GLN 90 2HE2 GLN 90 -1.326 12.758 -2.316 717 H LEU 91 H LEU 91 3.361 8.989 -0.170 718 HA LEU 91 HA LEU 91 3.660 8.976 2.485 719 HB2 LEU 91 1HB LEU 91 5.630 8.815 0.238 720 HB3 LEU 91 2HB LEU 91 6.209 8.799 1.892 721 HG LEU 91 HG LEU 91 4.127 6.861 0.857 722 HD11 LEU 91 1HD1 LEU 91 5.670 5.601 -0.126 723 HD12 LEU 91 2HD1 LEU 91 6.797 6.969 0.041 724 HD13 LEU 91 3HD1 LEU 91 6.748 5.700 1.287 725 HD21 LEU 91 1HD2 LEU 91 5.794 5.951 3.043 726 HD22 LEU 91 2HD2 LEU 91 4.970 7.475 3.453 727 HD23 LEU 91 3HD2 LEU 91 4.021 6.064 2.927 728 H ARG 92 H ARG 92 5.397 11.327 0.318 729 HA ARG 92 HA ARG 92 6.661 12.781 2.107 730 HB2 ARG 92 1HB ARG 92 5.220 13.475 -0.438 731 HB3 ARG 92 2HB ARG 92 5.735 14.830 0.548 732 HG2 ARG 92 1HG ARG 92 8.043 14.206 0.417 733 HG3 ARG 92 2HG ARG 92 7.667 12.576 -0.106 734 HD2 ARG 92 1HD ARG 92 8.208 13.467 -2.175 735 HD3 ARG 92 2HD ARG 92 6.509 13.894 -2.161 736 HE ARG 92 HE ARG 92 8.785 15.733 -1.831 737 HH11 ARG 92 2HH2 ARG 92 5.316 15.281 -1.453 738 HH12 ARG 92 1HH2 ARG 92 4.966 16.978 -1.451 739 HH21 ARG 92 2HH1 ARG 92 8.324 17.971 -1.828 740 HH22 ARG 92 1HH1 ARG 92 6.689 18.518 -1.666 741 H LYS 93 H LYS 93 3.229 13.475 1.085 742 HA LYS 93 HA LYS 93 2.783 14.550 3.775 743 HB2 LYS 93 1HB LYS 93 1.924 16.531 3.037 744 HB3 LYS 93 2HB LYS 93 3.139 16.268 1.803 745 HG2 LYS 93 1HG LYS 93 1.238 15.023 0.489 746 HG3 LYS 93 2HG LYS 93 0.141 15.805 1.609 747 HD2 LYS 93 1HD LYS 93 2.229 17.459 0.160 748 HD3 LYS 93 2HD LYS 93 0.761 16.993 -0.677 749 HE2 LYS 93 1HE LYS 93 -0.563 17.973 1.285 750 HE3 LYS 93 2HE LYS 93 0.950 18.594 1.916 751 HZ1 LYS 93 1HZ LYS 93 1.168 20.021 0.155 752 HZ2 LYS 93 2HZ LYS 93 0.195 19.168 -0.841 753 HZ3 LYS 93 3HZ LYS 93 -0.450 20.045 0.376 754 H LEU 94 H LEU 94 1.163 13.495 4.783 755 HA LEU 94 HA LEU 94 -0.950 12.380 3.087 756 HB2 LEU 94 1HB LEU 94 0.959 10.954 4.775 757 HB3 LEU 94 2HB LEU 94 -0.707 10.596 5.184 758 HG LEU 94 HG LEU 94 0.570 10.282 2.453 759 HD11 LEU 94 1HD1 LEU 94 -0.392 7.821 3.289 760 HD12 LEU 94 2HD1 LEU 94 1.307 8.353 3.286 761 HD13 LEU 94 3HD1 LEU 94 0.325 8.519 4.762 762 HD21 LEU 94 1HD2 LEU 94 -1.653 9.032 2.016 763 HD22 LEU 94 2HD2 LEU 94 -2.277 9.989 3.382 764 HD23 LEU 94 3HD2 LEU 94 -1.633 10.810 1.940 765 H SER 95 H SER 95 -0.013 12.763 6.583 766 HA SER 95 HA SER 95 -1.076 13.602 8.277 767 HB2 SER 95 1HB SER 95 -1.894 15.339 6.049 768 HB3 SER 95 2HB SER 95 -3.094 15.313 7.326 769 HG SER 95 HG SER 95 -0.376 15.577 8.126 770 H GLY 96 H GLY 96 -2.923 13.157 9.623 771 HA2 GLY 96 1HA GLY 96 -5.470 12.493 8.722 772 HA3 GLY 96 2HA GLY 96 -4.546 11.005 8.764 773 HA PRO 97 HA PRO 97 -6.049 11.945 12.996 774 HB2 PRO 97 1HB PRO 97 -7.828 9.894 13.301 775 HB3 PRO 97 2HB PRO 97 -8.303 11.510 12.817 776 HG2 PRO 97 1HG PRO 97 -8.085 9.069 11.163 777 HG3 PRO 97 2HG PRO 97 -8.943 10.557 10.817 778 HD2 PRO 97 1HD PRO 97 -6.427 9.732 9.715 779 HD3 PRO 97 2HD PRO 97 -7.230 11.268 9.459 780 H SER 98 H SER 98 -5.248 8.919 11.455 781 HA SER 98 HA SER 98 -3.820 7.379 12.017 782 HB2 SER 98 1HB SER 98 -2.389 9.355 12.786 783 HB3 SER 98 2HB SER 98 -2.971 9.060 14.413 784 HG SER 98 HG SER 98 -1.923 7.078 14.481 785 H SER 99 H SER 99 -4.853 8.778 15.224 786 HA SER 99 HA SER 99 -5.828 7.900 16.952 787 HB2 SER 99 1HB SER 99 -7.196 6.588 14.666 788 HB3 SER 99 2HB SER 99 -7.373 5.732 16.184 789 HG SER 99 HG SER 99 -7.940 8.549 15.803 790 H GLY 100 H GLY 100 -4.096 7.062 18.153 791 HA2 GLY 100 1HA GLY 100 -3.491 4.200 17.701 792 HA3 GLY 100 2HA GLY 100 -2.276 5.389 18.127 Start of MODEL 10 1 H1 GLY 1 H GLY 1 36.417 23.060 39.106 2 HA2 GLY 1 1HA GLY 1 33.937 24.572 38.539 3 HA3 GLY 1 2HA GLY 1 35.514 25.088 37.976 4 H SER 2 H SER 2 33.069 24.309 36.417 5 HA SER 2 HA SER 2 34.378 22.877 34.437 6 HB2 SER 2 1HB SER 2 33.418 21.161 36.419 7 HB3 SER 2 2HB SER 2 32.129 21.131 35.233 8 HG SER 2 HG SER 2 34.785 20.910 34.239 9 H SER 3 H SER 3 33.551 24.336 32.939 10 HA SER 3 HA SER 3 30.780 25.037 33.100 11 HB2 SER 3 1HB SER 3 33.204 26.042 31.726 12 HB3 SER 3 2HB SER 3 31.757 26.147 30.744 13 HG SER 3 HG SER 3 31.490 27.979 31.855 14 H GLY 4 H GLY 4 29.268 24.753 31.260 15 HA2 GLY 4 1HA GLY 4 30.043 22.570 29.427 16 HA3 GLY 4 2HA GLY 4 28.555 22.498 30.350 17 H SER 5 H SER 5 26.915 22.796 28.880 18 HA SER 5 HA SER 5 26.889 25.344 27.547 19 HB2 SER 5 1HB SER 5 26.459 24.454 25.338 20 HB3 SER 5 2HB SER 5 27.945 23.734 25.923 21 HG SER 5 HG SER 5 25.322 22.527 25.801 22 H SER 6 H SER 6 24.626 25.695 26.492 23 HA SER 6 HA SER 6 22.690 24.346 28.201 24 HB2 SER 6 1HB SER 6 23.146 27.128 27.569 25 HB3 SER 6 2HB SER 6 21.562 26.682 26.965 26 HG SER 6 HG SER 6 22.541 26.336 29.669 27 H GLY 7 H GLY 7 20.549 23.833 27.224 28 HA2 GLY 7 1HA GLY 7 20.021 24.109 24.474 29 HA3 GLY 7 2HA GLY 7 20.762 22.545 24.749 30 H ASN 8 H ASN 8 18.149 22.639 23.808 31 HA ASN 8 HA ASN 8 16.825 21.343 25.981 32 HB2 ASN 8 1HB ASN 8 16.240 23.968 25.863 33 HB3 ASN 8 2HB ASN 8 15.193 23.462 24.552 34 HD21 ASN 8 1HD2 ASN 8 13.361 22.343 24.939 35 HD22 ASN 8 2HD2 ASN 8 12.737 21.973 26.512 36 H LEU 9 H LEU 9 16.492 19.421 24.817 37 HA LEU 9 HA LEU 9 14.636 19.410 22.697 38 HB2 LEU 9 1HB LEU 9 17.412 19.744 21.972 39 HB3 LEU 9 2HB LEU 9 16.800 18.218 21.366 40 HG LEU 9 HG LEU 9 15.312 20.804 20.908 41 HD11 LEU 9 1HD1 LEU 9 17.783 19.813 19.574 42 HD12 LEU 9 2HD1 LEU 9 16.501 20.490 18.541 43 HD13 LEU 9 3HD1 LEU 9 17.205 21.474 19.847 44 HD21 LEU 9 1HD2 LEU 9 15.283 18.080 19.594 45 HD22 LEU 9 2HD2 LEU 9 13.967 18.897 20.471 46 HD23 LEU 9 3HD2 LEU 9 14.506 19.519 18.892 47 H SER 10 H SER 10 13.477 17.704 23.414 48 HA SER 10 HA SER 10 14.733 15.182 23.519 49 HB2 SER 10 1HB SER 10 14.274 16.672 26.045 50 HB3 SER 10 2HB SER 10 13.601 15.054 26.046 51 HG SER 10 HG SER 10 16.348 15.799 25.515 52 H ALA 11 H ALA 11 13.111 14.681 21.949 53 HA ALA 11 HA ALA 11 10.473 14.274 23.124 54 HB1 ALA 11 1HB ALA 11 9.523 15.901 21.903 55 HB2 ALA 11 2HB ALA 11 11.112 16.340 21.232 56 HB3 ALA 11 3HB ALA 11 10.108 15.118 20.415 57 H SER 12 H SER 12 9.133 12.799 21.626 58 HA SER 12 HA SER 12 10.638 11.298 19.746 59 HB2 SER 12 1HB SER 12 11.189 10.423 22.186 60 HB3 SER 12 2HB SER 12 9.607 9.677 22.084 61 HG SER 12 HG SER 12 10.361 8.702 20.008 62 H ASN 13 H ASN 13 8.951 11.756 18.273 63 HA ASN 13 HA ASN 13 6.500 10.333 18.866 64 HB2 ASN 13 1HB ASN 13 6.520 13.049 19.133 65 HB3 ASN 13 2HB ASN 13 6.249 12.959 17.404 66 HD21 ASN 13 1HD2 ASN 13 4.193 13.376 17.088 67 HD22 ASN 13 2HD2 ASN 13 2.844 12.614 17.863 68 H ARG 14 H ARG 14 6.698 8.766 17.229 69 HA ARG 14 HA ARG 14 6.876 9.804 14.544 70 HB2 ARG 14 1HB ARG 14 9.031 8.397 15.854 71 HB3 ARG 14 2HB ARG 14 8.373 7.325 14.634 72 HG2 ARG 14 1HG ARG 14 8.655 9.049 12.894 73 HG3 ARG 14 2HG ARG 14 9.162 10.225 14.090 74 HD2 ARG 14 1HD ARG 14 11.244 9.501 13.310 75 HD3 ARG 14 2HD ARG 14 11.029 8.415 14.669 76 HE ARG 14 HE ARG 14 10.876 7.705 11.811 77 HH11 ARG 14 2HH2 ARG 14 10.194 6.715 15.118 78 HH12 ARG 14 1HH2 ARG 14 10.113 5.028 14.732 79 HH21 ARG 14 2HH1 ARG 14 10.769 5.480 11.301 80 HH22 ARG 14 1HH1 ARG 14 10.442 4.321 12.546 81 H ALA 15 H ALA 15 5.702 8.519 13.013 82 HA ALA 15 HA ALA 15 4.829 5.896 13.650 83 HB1 ALA 15 1HB ALA 15 3.359 7.226 15.165 84 HB2 ALA 15 2HB ALA 15 2.749 8.118 13.751 85 HB3 ALA 15 3HB ALA 15 2.444 6.370 13.901 86 H LEU 16 H LEU 16 4.710 4.888 11.707 87 HA LEU 16 HA LEU 16 4.559 6.574 9.349 88 HB2 LEU 16 1HB LEU 16 5.073 3.607 9.573 89 HB3 LEU 16 2HB LEU 16 5.285 4.608 8.151 90 HG LEU 16 HG LEU 16 6.860 4.957 10.715 91 HD11 LEU 16 1HD1 LEU 16 7.989 3.128 10.150 92 HD12 LEU 16 2HD1 LEU 16 7.135 2.994 8.594 93 HD13 LEU 16 3HD1 LEU 16 8.582 4.023 8.730 94 HD21 LEU 16 1HD2 LEU 16 7.936 5.948 8.155 95 HD22 LEU 16 2HD2 LEU 16 6.478 6.786 8.737 96 HD23 LEU 16 3HD2 LEU 16 7.924 6.694 9.771 97 HA PRO 17 HA PRO 17 0.480 5.510 8.435 98 HB2 PRO 17 1HB PRO 17 0.433 5.592 5.704 99 HB3 PRO 17 2HB PRO 17 0.376 7.028 6.706 100 HG2 PRO 17 1HG PRO 17 2.636 5.958 5.129 101 HG3 PRO 17 2HG PRO 17 2.416 7.571 5.778 102 HD2 PRO 17 1HD PRO 17 4.118 5.516 6.829 103 HD3 PRO 17 2HD PRO 17 3.809 7.087 7.542 104 H VAL 18 H VAL 18 -1.066 3.927 7.789 105 HA VAL 18 HA VAL 18 0.310 1.377 7.416 106 HB VAL 18 HB VAL 18 -2.428 2.156 8.419 107 HG11 VAL 18 1HG1 VAL 18 -2.555 0.108 7.001 108 HG12 VAL 18 2HG1 VAL 18 -1.354 -0.662 8.066 109 HG13 VAL 18 3HG1 VAL 18 -2.944 -0.190 8.713 110 HG21 VAL 18 1HG2 VAL 18 0.125 1.216 9.657 111 HG22 VAL 18 2HG2 VAL 18 -1.066 2.400 10.243 112 HG23 VAL 18 3HG2 VAL 18 -1.405 0.658 10.373 113 H LEU 19 H LEU 19 0.557 0.772 5.327 114 HA LEU 19 HA LEU 19 -1.451 1.662 3.412 115 HB2 LEU 19 1HB LEU 19 0.901 2.105 2.938 116 HB3 LEU 19 2HB LEU 19 1.266 0.394 3.040 117 HG LEU 19 HG LEU 19 -0.596 0.257 1.127 118 HD11 LEU 19 1HD1 LEU 19 0.645 2.935 0.502 119 HD12 LEU 19 2HD1 LEU 19 -0.706 2.109 -0.310 120 HD13 LEU 19 3HD1 LEU 19 -0.927 2.783 1.322 121 HD21 LEU 19 1HD2 LEU 19 1.842 1.123 -0.154 122 HD22 LEU 19 2HD2 LEU 19 2.205 0.117 1.269 123 HD23 LEU 19 3HD2 LEU 19 1.144 -0.509 -0.016 124 H THR 20 H THR 20 -3.185 0.373 3.125 125 HA THR 20 HA THR 20 -3.029 -2.412 3.847 126 HB THR 20 HB THR 20 -5.379 -1.105 2.454 127 HG1 THR 20 1HG THR 20 -5.097 0.497 3.970 128 HG21 THR 20 1HG2 THR 20 -5.773 -3.354 3.315 129 HG22 THR 20 2HG2 THR 20 -4.977 -2.957 4.857 130 HG23 THR 20 3HG2 THR 20 -6.545 -2.221 4.450 131 H LEU 21 H LEU 21 -2.229 -3.953 2.577 132 HA LEU 21 HA LEU 21 -2.466 -3.516 -0.317 133 HB2 LEU 21 1HB LEU 21 -0.208 -3.543 0.088 134 HB3 LEU 21 2HB LEU 21 -0.334 -4.688 1.408 135 HG LEU 21 HG LEU 21 -0.769 -6.509 -0.192 136 HD11 LEU 21 1HD1 LEU 21 -1.840 -5.587 -2.031 137 HD12 LEU 21 2HD1 LEU 21 -0.654 -4.270 -2.196 138 HD13 LEU 21 3HD1 LEU 21 -0.210 -5.930 -2.658 139 HD21 LEU 21 1HD2 LEU 21 1.421 -6.880 -0.325 140 HD22 LEU 21 2HD2 LEU 21 1.667 -5.501 -1.423 141 HD23 LEU 21 3HD2 LEU 21 1.648 -5.244 0.338 142 H PHE 22 H PHE 22 -3.847 -4.815 -1.397 143 HA PHE 22 HA PHE 22 -4.689 -7.255 -0.001 144 HB2 PHE 22 1HB PHE 22 -5.982 -5.357 -2.044 145 HB3 PHE 22 2HB PHE 22 -6.703 -6.903 -1.639 146 HD1 PHE 22 2HD PHE 22 -7.536 -7.303 0.676 147 HD2 PHE 22 1HD PHE 22 -6.191 -3.482 -0.589 148 HE1 PHE 22 2HE PHE 22 -8.714 -6.243 2.623 149 HE2 PHE 22 1HE PHE 22 -7.369 -2.423 1.358 150 HZ PHE 22 HZ PHE 22 -8.616 -3.816 2.941 151 H THR 23 H THR 23 -3.654 -9.023 -0.814 152 HA THR 23 HA THR 23 -3.383 -9.151 -3.746 153 HB THR 23 HB THR 23 -1.159 -8.856 -2.887 154 HG1 THR 23 1HG THR 23 -1.503 -10.790 -4.245 155 HG21 THR 23 1HG2 THR 23 -1.389 -9.166 -0.496 156 HG22 THR 23 2HG2 THR 23 -2.049 -10.806 -0.709 157 HG23 THR 23 3HG2 THR 23 -0.332 -10.485 -1.053 158 H LYS 24 H LYS 24 -3.433 -11.337 -4.666 159 HA LYS 24 HA LYS 24 -4.605 -13.350 -2.945 160 HB2 LYS 24 1HB LYS 24 -6.545 -13.682 -4.431 161 HB3 LYS 24 2HB LYS 24 -6.578 -12.133 -3.614 162 HG2 LYS 24 1HG LYS 24 -5.838 -10.960 -5.607 163 HG3 LYS 24 2HG LYS 24 -5.430 -12.458 -6.419 164 HD2 LYS 24 1HD LYS 24 -8.274 -12.093 -5.478 165 HD3 LYS 24 2HD LYS 24 -7.754 -11.188 -6.886 166 HE2 LYS 24 1HE LYS 24 -6.755 -13.789 -7.344 167 HE3 LYS 24 2HE LYS 24 -8.333 -14.062 -6.632 168 HZ1 LYS 24 1HZ LYS 24 -7.685 -12.576 -9.060 169 HZ2 LYS 24 2HZ LYS 24 -8.744 -13.803 -8.866 170 HZ3 LYS 24 3HZ LYS 24 -9.100 -12.319 -8.286 171 H ALA 25 H ALA 25 -3.545 -15.207 -3.362 172 HA ALA 25 HA ALA 25 -2.029 -15.374 -5.825 173 HB1 ALA 25 1HB ALA 25 -2.193 -17.197 -3.390 174 HB2 ALA 25 2HB ALA 25 -1.027 -17.348 -4.727 175 HB3 ALA 25 3HB ALA 25 -0.980 -15.923 -3.661 176 HA PRO 26 HA PRO 26 -1.272 -16.629 -7.039 177 HB2 PRO 26 1HB PRO 26 -1.457 -16.904 -9.751 178 HB3 PRO 26 2HB PRO 26 -0.952 -18.203 -8.689 179 HG2 PRO 26 1HG PRO 26 -3.541 -17.837 -10.067 180 HG3 PRO 26 2HG PRO 26 -2.868 -19.294 -9.364 181 HD2 PRO 26 1HD PRO 26 -4.925 -17.640 -8.242 182 HD3 PRO 26 2HD PRO 26 -4.170 -19.030 -7.488 183 H CYS 27 H CYS 27 -0.230 -14.863 -8.291 184 HA CYS 27 HA CYS 27 -1.926 -12.983 -9.501 185 HB2 CYS 27 1HB CYS 27 -1.475 -11.155 -7.714 186 HB3 CYS 27 2HB CYS 27 -2.807 -12.269 -7.474 187 HG CYS 27 HG CYS 27 0.228 -12.233 -6.181 188 HA PRO 28 HA PRO 28 2.331 -12.512 -10.649 189 HB2 PRO 28 1HB PRO 28 1.880 -11.488 -13.143 190 HB3 PRO 28 2HB PRO 28 1.972 -13.207 -12.815 191 HG2 PRO 28 1HG PRO 28 -0.415 -11.549 -13.353 192 HG3 PRO 28 2HG PRO 28 -0.245 -13.291 -13.445 193 HD2 PRO 28 1HD PRO 28 -1.518 -11.799 -11.352 194 HD3 PRO 28 2HD PRO 28 -1.245 -13.530 -11.389 195 H LEU 29 H LEU 29 -0.156 -10.124 -10.625 196 HA LEU 29 HA LEU 29 1.789 -7.993 -10.795 197 HB2 LEU 29 1HB LEU 29 -1.150 -7.740 -10.199 198 HB3 LEU 29 2HB LEU 29 -0.061 -6.530 -10.849 199 HG LEU 29 HG LEU 29 -1.094 -9.001 -12.262 200 HD11 LEU 29 1HD1 LEU 29 -2.815 -7.545 -12.518 201 HD12 LEU 29 2HD1 LEU 29 -1.788 -6.108 -12.300 202 HD13 LEU 29 3HD1 LEU 29 -1.791 -6.972 -13.856 203 HD21 LEU 29 1HD2 LEU 29 1.084 -7.071 -13.037 204 HD22 LEU 29 2HD2 LEU 29 1.082 -8.850 -13.081 205 HD23 LEU 29 3HD2 LEU 29 0.123 -7.930 -14.264 206 H CYS 30 H CYS 30 -0.815 -8.871 -8.410 207 HA CYS 30 HA CYS 30 -0.045 -7.319 -6.370 208 HB2 CYS 30 1HB CYS 30 -0.972 -10.195 -6.069 209 HB3 CYS 30 2HB CYS 30 -1.080 -8.937 -4.854 210 HG CYS 30 HG CYS 30 -3.204 -9.776 -6.775 211 H ASP 31 H ASP 31 1.579 -10.183 -7.690 212 HA ASP 31 HA ASP 31 3.193 -10.675 -5.455 213 HB2 ASP 31 1HB ASP 31 3.058 -12.477 -6.959 214 HB3 ASP 31 2HB ASP 31 3.194 -11.447 -8.370 215 H GLU 32 H GLU 32 3.683 -8.996 -8.650 216 HA GLU 32 HA GLU 32 6.306 -8.218 -8.063 217 HB2 GLU 32 1HB GLU 32 4.730 -8.268 -10.318 218 HB3 GLU 32 2HB GLU 32 4.748 -6.549 -9.978 219 HG2 GLU 32 1HG GLU 32 6.815 -6.419 -10.895 220 HG3 GLU 32 2HG GLU 32 7.431 -7.418 -9.593 221 H ALA 33 H ALA 33 3.088 -6.612 -7.765 222 HA ALA 33 HA ALA 33 3.736 -4.065 -7.238 223 HB1 ALA 33 1HB ALA 33 1.594 -5.911 -6.575 224 HB2 ALA 33 2HB ALA 33 1.856 -4.758 -5.245 225 HB3 ALA 33 3HB ALA 33 1.518 -4.160 -6.887 226 H LYS 34 H LYS 34 3.630 -6.674 -4.700 227 HA LYS 34 HA LYS 34 4.565 -5.218 -2.608 228 HB2 LYS 34 1HB LYS 34 5.040 -8.121 -3.328 229 HB3 LYS 34 2HB LYS 34 5.481 -7.430 -1.780 230 HG2 LYS 34 1HG LYS 34 3.288 -7.234 -1.077 231 HG3 LYS 34 2HG LYS 34 2.695 -6.834 -2.677 232 HD2 LYS 34 1HD LYS 34 1.884 -8.960 -2.751 233 HD3 LYS 34 2HD LYS 34 3.541 -9.463 -3.023 234 HE2 LYS 34 1HE LYS 34 2.562 -9.033 -0.185 235 HE3 LYS 34 2HE LYS 34 2.151 -10.516 -1.024 236 HZ1 LYS 34 1HZ LYS 34 4.699 -10.440 -1.543 237 HZ2 LYS 34 2HZ LYS 34 4.741 -9.573 -0.160 238 HZ3 LYS 34 3HZ LYS 34 4.131 -11.088 -0.156 239 H GLU 35 H GLU 35 6.538 -6.974 -5.093 240 HA GLU 35 HA GLU 35 8.982 -6.351 -4.047 241 HB2 GLU 35 1HB GLU 35 8.398 -6.476 -7.030 242 HB3 GLU 35 2HB GLU 35 9.883 -6.922 -6.212 243 HG2 GLU 35 1HG GLU 35 8.317 -8.634 -4.906 244 HG3 GLU 35 2HG GLU 35 7.236 -8.393 -6.265 245 H VAL 36 H VAL 36 6.642 -4.309 -5.697 246 HA VAL 36 HA VAL 36 8.582 -2.294 -6.377 247 HB VAL 36 HB VAL 36 5.570 -2.105 -6.376 248 HG11 VAL 36 1HG1 VAL 36 7.533 -0.747 -8.233 249 HG12 VAL 36 2HG1 VAL 36 5.826 -0.345 -7.927 250 HG13 VAL 36 3HG1 VAL 36 7.052 -0.036 -6.674 251 HG21 VAL 36 1HG2 VAL 36 6.857 -2.736 -8.942 252 HG22 VAL 36 2HG2 VAL 36 6.981 -4.043 -7.740 253 HG23 VAL 36 3HG2 VAL 36 5.384 -3.406 -8.199 254 H LEU 37 H LEU 37 6.751 -3.286 -3.600 255 HA LEU 37 HA LEU 37 6.983 -0.615 -2.430 256 HB2 LEU 37 1HB LEU 37 5.415 -3.059 -1.601 257 HB3 LEU 37 2HB LEU 37 5.525 -1.591 -0.651 258 HG LEU 37 HG LEU 37 4.133 -2.047 -3.276 259 HD11 LEU 37 1HD1 LEU 37 3.335 -0.941 -0.579 260 HD12 LEU 37 2HD1 LEU 37 2.315 -0.796 -2.031 261 HD13 LEU 37 3HD1 LEU 37 2.741 -2.405 -1.399 262 HD21 LEU 37 1HD2 LEU 37 3.772 0.420 -3.427 263 HD22 LEU 37 2HD2 LEU 37 5.023 0.631 -2.179 264 HD23 LEU 37 3HD2 LEU 37 5.444 -0.100 -3.747 265 H GLN 38 H GLN 38 8.843 -3.326 -2.859 266 HA GLN 38 HA GLN 38 9.678 -4.102 -0.408 267 HB2 GLN 38 1HB GLN 38 10.712 -4.154 -3.138 268 HB3 GLN 38 2HB GLN 38 12.026 -3.954 -1.995 269 HG2 GLN 38 1HG GLN 38 10.236 -5.920 -0.894 270 HG3 GLN 38 2HG GLN 38 10.491 -6.339 -2.576 271 HE21 GLN 38 1HE2 GLN 38 13.059 -5.289 -2.939 272 HE22 GLN 38 2HE2 GLN 38 14.205 -6.229 -2.042 273 HA PRO 39 HA PRO 39 12.642 -0.396 -0.343 274 HB2 PRO 39 1HB PRO 39 12.378 1.597 -2.194 275 HB3 PRO 39 2HB PRO 39 13.520 0.278 -2.362 276 HG2 PRO 39 1HG PRO 39 10.953 0.698 -3.768 277 HG3 PRO 39 2HG PRO 39 12.287 -0.351 -4.206 278 HD2 PRO 39 1HD PRO 39 9.798 -1.144 -3.020 279 HD3 PRO 39 2HD PRO 39 11.176 -2.174 -3.353 280 H TYR 40 H TYR 40 9.398 -0.455 -0.431 281 HA TYR 40 HA TYR 40 9.267 2.094 1.035 282 HB2 TYR 40 1HB TYR 40 7.226 0.501 -0.639 283 HB3 TYR 40 2HB TYR 40 6.822 1.967 0.231 284 HD1 TYR 40 1HD TYR 40 7.592 4.159 -0.560 285 HD2 TYR 40 2HD TYR 40 8.543 0.578 -2.699 286 HE1 TYR 40 1HE TYR 40 8.264 5.540 -2.586 287 HE2 TYR 40 2HE TYR 40 9.212 1.971 -4.718 288 HH TYR 40 HH TYR 40 9.472 3.951 -5.529 289 H LYS 41 H LYS 41 9.731 -0.982 1.722 290 HA LYS 41 HA LYS 41 7.445 -1.685 3.236 291 HB2 LYS 41 1HB LYS 41 10.289 -2.718 3.159 292 HB3 LYS 41 2HB LYS 41 9.056 -3.401 4.199 293 HG2 LYS 41 1HG LYS 41 7.601 -3.775 2.162 294 HG3 LYS 41 2HG LYS 41 8.910 -3.188 1.155 295 HD2 LYS 41 1HD LYS 41 9.281 -5.502 1.081 296 HD3 LYS 41 2HD LYS 41 10.358 -5.026 2.379 297 HE2 LYS 41 1HE LYS 41 7.758 -5.484 3.540 298 HE3 LYS 41 2HE LYS 41 8.110 -6.841 2.488 299 HZ1 LYS 41 1HZ LYS 41 8.982 -7.114 4.727 300 HZ2 LYS 41 2HZ LYS 41 10.177 -7.149 3.614 301 HZ3 LYS 41 3HZ LYS 41 9.955 -5.817 4.533 302 H ASP 42 H ASP 42 10.699 -0.320 4.075 303 HA ASP 42 HA ASP 42 9.966 -0.067 6.790 304 HB2 ASP 42 1HB ASP 42 12.293 0.690 5.049 305 HB3 ASP 42 2HB ASP 42 12.108 1.604 6.532 306 H ARG 43 H ARG 43 9.134 1.601 3.946 307 HA ARG 43 HA ARG 43 9.299 4.239 4.903 308 HB2 ARG 43 1HB ARG 43 8.029 2.846 2.543 309 HB3 ARG 43 2HB ARG 43 7.479 4.468 2.915 310 HG2 ARG 43 1HG ARG 43 10.440 3.796 2.662 311 HG3 ARG 43 2HG ARG 43 9.472 4.239 1.270 312 HD2 ARG 43 1HD ARG 43 10.209 6.357 1.866 313 HD3 ARG 43 2HD ARG 43 8.762 6.300 2.852 314 HE ARG 43 HE ARG 43 10.096 6.182 4.777 315 HH11 ARG 43 2HH2 ARG 43 12.062 5.450 1.952 316 HH12 ARG 43 1HH2 ARG 43 13.554 5.454 2.831 317 HH21 ARG 43 2HH1 ARG 43 12.064 6.188 5.937 318 HH22 ARG 43 1HH1 ARG 43 13.556 5.877 5.113 319 H PHE 44 H PHE 44 6.837 1.637 4.899 320 HA PHE 44 HA PHE 44 5.353 3.065 6.901 321 HB2 PHE 44 1HB PHE 44 3.220 2.695 5.432 322 HB3 PHE 44 2HB PHE 44 4.272 4.009 4.945 323 HD1 PHE 44 1HD PHE 44 4.041 0.324 4.332 324 HD2 PHE 44 2HD PHE 44 4.629 4.190 2.685 325 HE1 PHE 44 1HE PHE 44 4.236 -0.682 2.040 326 HE2 PHE 44 2HE PHE 44 4.824 3.185 0.393 327 HZ PHE 44 HZ PHE 44 4.625 0.761 0.098 328 H ILE 45 H ILE 45 3.095 1.589 7.139 329 HA ILE 45 HA ILE 45 4.187 -1.078 7.591 330 HB ILE 45 HB ILE 45 1.789 0.376 8.703 331 HG12 ILE 45 1HG1 ILE 45 4.069 -0.665 10.341 332 HG13 ILE 45 2HG1 ILE 45 4.315 0.799 9.410 333 HG21 ILE 45 1HG2 ILE 45 2.324 -1.981 10.179 334 HG22 ILE 45 2HG2 ILE 45 0.875 -1.574 9.227 335 HG23 ILE 45 3HG2 ILE 45 2.226 -2.447 8.463 336 HD11 ILE 45 1HD1 ILE 45 2.301 1.822 10.462 337 HD12 ILE 45 2HD1 ILE 45 2.054 0.336 11.410 338 HD13 ILE 45 3HD1 ILE 45 3.502 1.336 11.683 339 H LEU 46 H LEU 46 4.026 -2.247 5.710 340 HA LEU 46 HA LEU 46 1.748 -1.950 4.012 341 HB2 LEU 46 1HB LEU 46 4.025 -2.404 3.194 342 HB3 LEU 46 2HB LEU 46 3.998 -3.967 3.987 343 HG LEU 46 HG LEU 46 2.093 -4.649 2.545 344 HD11 LEU 46 1HD1 LEU 46 2.272 -1.821 1.709 345 HD12 LEU 46 2HD1 LEU 46 2.057 -3.000 0.392 346 HD13 LEU 46 3HD1 LEU 46 0.885 -2.936 1.730 347 HD21 LEU 46 1HD2 LEU 46 3.956 -3.918 0.443 348 HD22 LEU 46 2HD2 LEU 46 4.803 -4.474 1.907 349 HD23 LEU 46 3HD2 LEU 46 3.580 -5.514 1.138 350 H GLN 47 H GLN 47 -0.215 -2.643 4.696 351 HA GLN 47 HA GLN 47 -0.281 -5.008 6.352 352 HB2 GLN 47 1HB GLN 47 -1.610 -2.714 6.668 353 HB3 GLN 47 2HB GLN 47 -2.748 -3.460 5.563 354 HG2 GLN 47 1HG GLN 47 -2.801 -5.496 7.087 355 HG3 GLN 47 2HG GLN 47 -1.791 -4.621 8.221 356 HE21 GLN 47 1HE2 GLN 47 -3.159 -4.379 9.873 357 HE22 GLN 47 2HE2 GLN 47 -4.649 -3.496 9.831 358 H GLU 48 H GLU 48 -0.038 -6.825 5.053 359 HA GLU 48 HA GLU 48 -1.323 -6.911 2.517 360 HB2 GLU 48 1HB GLU 48 0.617 -8.555 4.044 361 HB3 GLU 48 2HB GLU 48 -0.465 -9.497 3.038 362 HG2 GLU 48 1HG GLU 48 0.427 -8.686 1.074 363 HG3 GLU 48 2HG GLU 48 0.634 -7.066 1.711 364 H VAL 49 H VAL 49 -3.531 -7.111 2.466 365 HA VAL 49 HA VAL 49 -4.801 -8.763 4.499 366 HB VAL 49 HB VAL 49 -5.884 -6.878 2.397 367 HG11 VAL 49 1HG1 VAL 49 -7.914 -7.238 4.197 368 HG12 VAL 49 2HG1 VAL 49 -7.779 -8.078 2.633 369 HG13 VAL 49 3HG1 VAL 49 -7.212 -8.872 4.122 370 HG21 VAL 49 1HG2 VAL 49 -4.904 -6.520 5.125 371 HG22 VAL 49 2HG2 VAL 49 -5.286 -5.309 3.878 372 HG23 VAL 49 3HG2 VAL 49 -6.576 -5.946 4.925 373 H ASP 50 H ASP 50 -6.022 -10.624 4.021 374 HA ASP 50 HA ASP 50 -5.365 -11.726 1.419 375 HB2 ASP 50 1HB ASP 50 -5.606 -12.778 4.134 376 HB3 ASP 50 2HB ASP 50 -6.661 -13.672 3.058 377 H ILE 51 H ILE 51 -7.038 -11.162 -0.019 378 HA ILE 51 HA ILE 51 -9.739 -10.952 0.934 379 HB ILE 51 HB ILE 51 -10.233 -10.323 -1.375 380 HG12 ILE 51 1HG1 ILE 51 -7.293 -10.606 -2.007 381 HG13 ILE 51 2HG1 ILE 51 -8.435 -11.894 -2.331 382 HG21 ILE 51 1HG2 ILE 51 -9.527 -8.222 -1.026 383 HG22 ILE 51 2HG2 ILE 51 -8.899 -8.873 0.507 384 HG23 ILE 51 3HG2 ILE 51 -7.819 -8.703 -0.898 385 HD11 ILE 51 1HD1 ILE 51 -7.901 -9.627 -3.953 386 HD12 ILE 51 2HD1 ILE 51 -9.170 -10.851 -4.200 387 HD13 ILE 51 3HD1 ILE 51 -9.529 -9.369 -3.281 388 H THR 52 H THR 52 -7.645 -13.446 -0.234 389 HA THR 52 HA THR 52 -9.621 -15.036 -1.519 390 HB THR 52 HB THR 52 -7.778 -16.775 -1.291 391 HG1 THR 52 1HG THR 52 -7.138 -15.713 0.839 392 HG21 THR 52 1HG2 THR 52 -6.872 -15.757 -3.124 393 HG22 THR 52 2HG2 THR 52 -7.584 -14.200 -2.637 394 HG23 THR 52 3HG2 THR 52 -5.978 -14.672 -2.034 395 H LEU 53 H LEU 53 -9.302 -14.084 1.699 396 HA LEU 53 HA LEU 53 -10.110 -16.608 2.829 397 HB2 LEU 53 1HB LEU 53 -9.525 -13.863 3.880 398 HB3 LEU 53 2HB LEU 53 -10.393 -15.015 4.875 399 HG LEU 53 HG LEU 53 -7.688 -15.588 3.642 400 HD11 LEU 53 1HD1 LEU 53 -7.157 -13.836 5.058 401 HD12 LEU 53 2HD1 LEU 53 -8.418 -14.264 6.239 402 HD13 LEU 53 3HD1 LEU 53 -6.945 -15.255 6.111 403 HD21 LEU 53 1HD2 LEU 53 -8.668 -17.641 4.147 404 HD22 LEU 53 2HD2 LEU 53 -7.681 -17.281 5.584 405 HD23 LEU 53 3HD2 LEU 53 -9.442 -17.023 5.626 406 HA PRO 54 HA PRO 54 -14.367 -15.942 2.606 407 HB2 PRO 54 1HB PRO 54 -15.310 -17.141 4.873 408 HB3 PRO 54 2HB PRO 54 -14.839 -18.035 3.442 409 HG2 PRO 54 1HG PRO 54 -13.397 -17.750 6.006 410 HG3 PRO 54 2HG PRO 54 -13.172 -18.949 4.748 411 HD2 PRO 54 1HD PRO 54 -11.505 -16.673 5.268 412 HD3 PRO 54 2HD PRO 54 -11.348 -17.805 3.940 413 H GLU 55 H GLU 55 -13.015 -15.043 5.712 414 HA GLU 55 HA GLU 55 -15.200 -13.347 6.281 415 HB2 GLU 55 1HB GLU 55 -13.859 -12.643 8.217 416 HB3 GLU 55 2HB GLU 55 -13.813 -14.388 8.054 417 HG2 GLU 55 1HG GLU 55 -11.617 -14.072 6.725 418 HG3 GLU 55 2HG GLU 55 -11.643 -12.401 7.253 419 H ASN 56 H ASN 56 -12.551 -13.136 4.135 420 HA ASN 56 HA ASN 56 -12.649 -10.226 4.260 421 HB2 ASN 56 1HB ASN 56 -10.521 -12.134 3.164 422 HB3 ASN 56 2HB ASN 56 -10.473 -10.404 2.887 423 HD21 ASN 56 1HD2 ASN 56 -8.651 -12.186 4.335 424 HD22 ASN 56 2HD2 ASN 56 -8.492 -11.559 5.942 425 H SER 57 H SER 57 -14.182 -12.694 2.794 426 HA SER 57 HA SER 57 -13.731 -12.563 0.124 427 HB2 SER 57 1HB SER 57 -15.297 -14.121 1.381 428 HB3 SER 57 2HB SER 57 -16.471 -12.821 1.437 429 HG SER 57 HG SER 57 -17.042 -13.264 -0.573 430 H THR 58 H THR 58 -15.030 -10.121 2.249 431 HA THR 58 HA THR 58 -16.542 -8.719 0.265 432 HB THR 58 HB THR 58 -15.584 -8.229 3.111 433 HG1 THR 58 1HG THR 58 -17.500 -9.561 2.480 434 HG21 THR 58 1HG2 THR 58 -17.229 -6.195 2.905 435 HG22 THR 58 2HG2 THR 58 -15.563 -5.969 2.319 436 HG23 THR 58 3HG2 THR 58 -16.880 -6.278 1.161 437 H TRP 59 H TRP 59 -13.185 -8.631 1.494 438 HA TRP 59 HA TRP 59 -12.545 -6.198 0.195 439 HB2 TRP 59 1HB TRP 59 -10.975 -8.417 1.468 440 HB3 TRP 59 2HB TRP 59 -10.158 -7.172 0.544 441 HD1 TRP 59 HD TRP 59 -11.441 -7.813 3.981 442 HE1 TRP 59 1HE TRP 59 -11.358 -5.683 5.535 443 HE3 TRP 59 3HE TRP 59 -10.589 -4.472 0.243 444 HZ2 TRP 59 2HZ TRP 59 -10.955 -2.901 5.038 445 HZ3 TRP 59 3HZ TRP 59 -10.362 -2.069 0.864 446 HH2 TRP 59 HH TRP 59 -10.532 -1.266 3.166 447 H TYR 60 H TYR 60 -13.271 -9.376 -0.890 448 HA TYR 60 HA TYR 60 -11.567 -9.156 -3.246 449 HB2 TYR 60 1HB TYR 60 -11.976 -11.274 -1.780 450 HB3 TYR 60 2HB TYR 60 -13.638 -11.248 -2.337 451 HD1 TYR 60 2HD TYR 60 -14.132 -11.612 -4.785 452 HD2 TYR 60 1HD TYR 60 -10.229 -12.188 -3.130 453 HE1 TYR 60 2HE TYR 60 -13.465 -12.987 -6.817 454 HE2 TYR 60 1HE TYR 60 -9.575 -13.562 -5.167 455 HH TYR 60 HH TYR 60 -10.327 -14.600 -6.951 456 H GLU 61 H GLU 61 -15.070 -9.759 -2.459 457 HA GLU 61 HA GLU 61 -16.000 -9.566 -5.001 458 HB2 GLU 61 1HB GLU 61 -17.261 -8.836 -2.334 459 HB3 GLU 61 2HB GLU 61 -18.171 -8.748 -3.829 460 HG2 GLU 61 1HG GLU 61 -16.788 -11.281 -3.792 461 HG3 GLU 61 2HG GLU 61 -17.569 -11.078 -2.236 462 H ARG 62 H ARG 62 -14.628 -7.072 -3.000 463 HA ARG 62 HA ARG 62 -15.903 -5.013 -4.573 464 HB2 ARG 62 1HB ARG 62 -15.028 -3.445 -2.931 465 HB3 ARG 62 2HB ARG 62 -15.688 -4.806 -2.046 466 HG2 ARG 62 1HG ARG 62 -13.457 -5.766 -1.722 467 HG3 ARG 62 2HG ARG 62 -12.736 -4.578 -2.791 468 HD2 ARG 62 1HD ARG 62 -13.980 -4.085 -0.051 469 HD3 ARG 62 2HD ARG 62 -12.309 -3.843 -0.519 470 HE ARG 62 HE ARG 62 -13.707 -2.195 -2.261 471 HH11 ARG 62 2HH2 ARG 62 -13.598 -2.533 1.240 472 HH12 ARG 62 1HH2 ARG 62 -13.968 -0.868 1.540 473 HH21 ARG 62 2HH1 ARG 62 -14.196 0.002 -1.865 474 HH22 ARG 62 1HH1 ARG 62 -14.311 0.584 -0.238 475 H TYR 63 H TYR 63 -12.799 -6.665 -4.009 476 HA TYR 63 HA TYR 63 -11.682 -5.169 -6.267 477 HB2 TYR 63 1HB TYR 63 -10.465 -5.856 -3.521 478 HB3 TYR 63 2HB TYR 63 -9.499 -5.269 -4.860 479 HD1 TYR 63 2HD TYR 63 -11.180 -3.124 -5.988 480 HD2 TYR 63 1HD TYR 63 -10.436 -4.171 -1.907 481 HE1 TYR 63 2HE TYR 63 -11.661 -0.730 -5.279 482 HE2 TYR 63 1HE TYR 63 -10.919 -1.774 -1.211 483 HH TYR 63 HH TYR 63 -11.877 0.137 -1.894 484 H LYS 64 H LYS 64 -12.559 -7.299 -7.232 485 HA LYS 64 HA LYS 64 -10.654 -9.468 -6.717 486 HB2 LYS 64 1HB LYS 64 -12.322 -10.970 -7.613 487 HB3 LYS 64 2HB LYS 64 -13.024 -10.009 -6.327 488 HG2 LYS 64 1HG LYS 64 -13.894 -8.407 -8.136 489 HG3 LYS 64 2HG LYS 64 -13.371 -9.580 -9.328 490 HD2 LYS 64 1HD LYS 64 -15.129 -10.980 -8.901 491 HD3 LYS 64 2HD LYS 64 -14.964 -10.811 -7.165 492 HE2 LYS 64 1HE LYS 64 -15.907 -8.317 -7.759 493 HE3 LYS 64 2HE LYS 64 -16.628 -9.212 -9.081 494 HZ1 LYS 64 1HZ LYS 64 -17.673 -9.066 -6.661 495 HZ2 LYS 64 2HZ LYS 64 -17.964 -10.302 -7.688 496 HZ3 LYS 64 3HZ LYS 64 -16.845 -10.465 -6.509 497 H PHE 65 H PHE 65 -11.455 -6.904 -8.850 498 HA PHE 65 HA PHE 65 -9.659 -8.066 -10.832 499 HB2 PHE 65 1HB PHE 65 -11.340 -6.952 -12.534 500 HB3 PHE 65 2HB PHE 65 -11.816 -8.482 -11.825 501 HD1 PHE 65 2HD PHE 65 -12.094 -4.830 -11.073 502 HD2 PHE 65 1HD PHE 65 -13.959 -8.642 -10.999 503 HE1 PHE 65 2HE PHE 65 -14.210 -3.779 -10.226 504 HE2 PHE 65 1HE PHE 65 -16.074 -7.590 -10.151 505 HZ PHE 65 HZ PHE 65 -16.175 -5.171 -9.775 506 H ASP 66 H ASP 66 -9.945 -5.790 -8.610 507 HA ASP 66 HA ASP 66 -8.937 -3.710 -10.389 508 HB2 ASP 66 1HB ASP 66 -10.100 -3.105 -7.660 509 HB3 ASP 66 2HB ASP 66 -9.944 -2.037 -9.041 510 H ILE 67 H ILE 67 -7.549 -5.991 -8.975 511 HA ILE 67 HA ILE 67 -6.047 -4.517 -6.936 512 HB ILE 67 HB ILE 67 -5.205 -7.122 -6.820 513 HG12 ILE 67 1HG1 ILE 67 -8.155 -7.125 -7.518 514 HG13 ILE 67 2HG1 ILE 67 -6.862 -7.891 -8.419 515 HG21 ILE 67 1HG2 ILE 67 -5.904 -6.954 -4.693 516 HG22 ILE 67 2HG2 ILE 67 -6.277 -5.271 -5.139 517 HG23 ILE 67 3HG2 ILE 67 -7.562 -6.503 -5.158 518 HD11 ILE 67 1HD1 ILE 67 -7.183 -8.603 -5.504 519 HD12 ILE 67 2HD1 ILE 67 -8.319 -9.292 -6.688 520 HD13 ILE 67 3HD1 ILE 67 -6.573 -9.597 -6.848 521 HA PRO 68 HA PRO 68 -4.245 -5.618 -6.006 522 HB2 PRO 68 1HB PRO 68 -1.862 -4.493 -5.281 523 HB3 PRO 68 2HB PRO 68 -2.043 -6.195 -5.657 524 HG2 PRO 68 1HG PRO 68 -0.829 -4.055 -7.295 525 HG3 PRO 68 2HG PRO 68 -0.646 -5.791 -7.447 526 HD2 PRO 68 1HD PRO 68 -2.262 -4.084 -9.092 527 HD3 PRO 68 2HD PRO 68 -2.169 -5.832 -9.170 528 H VAL 69 H VAL 69 -4.777 -4.330 -4.193 529 HA VAL 69 HA VAL 69 -5.249 -1.568 -5.066 530 HB VAL 69 HB VAL 69 -6.632 -3.243 -2.960 531 HG11 VAL 69 1HG1 VAL 69 -6.826 -1.025 -2.215 532 HG12 VAL 69 2HG1 VAL 69 -6.995 -0.384 -3.867 533 HG13 VAL 69 3HG1 VAL 69 -8.327 -1.306 -3.129 534 HG21 VAL 69 1HG2 VAL 69 -8.361 -2.380 -5.080 535 HG22 VAL 69 2HG2 VAL 69 -6.946 -3.197 -5.787 536 HG23 VAL 69 3HG2 VAL 69 -7.944 -4.036 -4.576 537 H PHE 70 H PHE 70 -4.780 0.169 -3.593 538 HA PHE 70 HA PHE 70 -3.145 -0.601 -1.297 539 HB2 PHE 70 1HB PHE 70 -2.529 1.436 -3.521 540 HB3 PHE 70 2HB PHE 70 -1.578 1.294 -2.056 541 HD1 PHE 70 2HD PHE 70 -0.096 -0.609 -1.713 542 HD2 PHE 70 1HD PHE 70 -2.377 -0.241 -5.272 543 HE1 PHE 70 2HE PHE 70 1.337 -2.352 -2.812 544 HE2 PHE 70 1HE PHE 70 -0.944 -1.984 -6.371 545 HZ PHE 70 HZ PHE 70 0.896 -3.019 -5.128 546 H HIS 71 H HIS 71 -3.997 0.348 0.487 547 HA HIS 71 HA HIS 71 -5.367 2.904 0.071 548 HB2 HIS 71 1HB HIS 71 -5.862 0.756 2.152 549 HB3 HIS 71 2HB HIS 71 -6.663 2.315 2.115 550 HD1 HIS 71 1HD HIS 71 -8.716 0.347 1.970 551 HD2 HIS 71 2HD HIS 71 -6.510 1.252 -1.481 552 HE1 HIS 71 1HE HIS 71 -10.124 -0.443 -0.006 553 H LEU 72 H LEU 72 -4.317 4.651 0.861 554 HA LEU 72 HA LEU 72 -2.322 4.153 2.951 555 HB2 LEU 72 1HB LEU 72 -2.147 5.453 0.492 556 HB3 LEU 72 2HB LEU 72 -2.227 6.755 1.663 557 HG LEU 72 HG LEU 72 -0.138 4.621 1.336 558 HD11 LEU 72 1HD1 LEU 72 -0.290 7.589 1.237 559 HD12 LEU 72 2HD1 LEU 72 1.201 6.871 1.893 560 HD13 LEU 72 3HD1 LEU 72 0.656 6.447 0.253 561 HD21 LEU 72 1HD2 LEU 72 -1.076 5.755 3.893 562 HD22 LEU 72 2HD2 LEU 72 -0.144 4.277 3.555 563 HD23 LEU 72 3HD2 LEU 72 0.681 5.853 3.619 564 H ASN 73 H ASN 73 -2.951 4.634 4.979 565 HA ASN 73 HA ASN 73 -3.781 5.744 6.656 566 HB2 ASN 73 1HB ASN 73 -3.624 7.811 4.628 567 HB3 ASN 73 2HB ASN 73 -5.129 8.030 5.500 568 HD21 ASN 73 1HD2 ASN 73 -1.662 7.997 5.663 569 HD22 ASN 73 2HD2 ASN 73 -1.470 8.705 7.232 570 H GLY 74 H GLY 74 -5.313 3.854 4.899 571 HA2 GLY 74 1HA GLY 74 -7.380 2.950 4.910 572 HA3 GLY 74 2HA GLY 74 -7.895 4.176 6.051 573 H GLN 75 H GLN 75 -6.444 4.765 2.803 574 HA GLN 75 HA GLN 75 -9.041 5.408 1.759 575 HB2 GLN 75 1HB GLN 75 -6.965 7.465 2.450 576 HB3 GLN 75 2HB GLN 75 -7.830 7.684 0.941 577 HG2 GLN 75 1HG GLN 75 -9.880 7.020 2.724 578 HG3 GLN 75 2HG GLN 75 -8.800 7.972 3.724 579 HE21 GLN 75 1HE2 GLN 75 -10.731 7.902 0.801 580 HE22 GLN 75 2HE2 GLN 75 -10.879 9.612 0.564 581 H PHE 76 H PHE 76 -9.087 4.427 -0.212 582 HA PHE 76 HA PHE 76 -7.148 3.141 -1.460 583 HB2 PHE 76 1HB PHE 76 -9.260 3.031 -2.516 584 HB3 PHE 76 2HB PHE 76 -9.566 4.741 -2.285 585 HD1 PHE 76 2HD PHE 76 -7.099 2.654 -4.174 586 HD2 PHE 76 1HD PHE 76 -9.762 5.957 -4.220 587 HE1 PHE 76 2HE PHE 76 -6.525 3.082 -6.579 588 HE2 PHE 76 1HE PHE 76 -9.188 6.386 -6.626 589 HZ PHE 76 HZ PHE 76 -7.577 4.943 -7.777 590 H LEU 77 H LEU 77 -5.042 3.806 -1.698 591 HA LEU 77 HA LEU 77 -4.502 6.519 -2.505 592 HB2 LEU 77 1HB LEU 77 -2.711 6.135 -1.290 593 HB3 LEU 77 2HB LEU 77 -3.154 4.449 -1.105 594 HG LEU 77 HG LEU 77 -2.039 4.129 -3.436 595 HD11 LEU 77 1HD1 LEU 77 -0.885 6.799 -2.598 596 HD12 LEU 77 2HD1 LEU 77 -0.148 5.724 -3.810 597 HD13 LEU 77 3HD1 LEU 77 -1.765 6.410 -4.096 598 HD21 LEU 77 1HD2 LEU 77 0.252 4.559 -1.819 599 HD22 LEU 77 2HD2 LEU 77 -1.071 4.046 -0.744 600 HD23 LEU 77 3HD2 LEU 77 -0.614 3.037 -2.137 601 H MET 78 H MET 78 -4.341 3.190 -3.869 602 HA MET 78 HA MET 78 -4.826 4.091 -6.432 603 HB2 MET 78 1HB MET 78 -2.648 3.914 -7.502 604 HB3 MET 78 2HB MET 78 -2.414 4.943 -6.103 605 HG2 MET 78 1HG MET 78 -1.789 2.733 -4.832 606 HG3 MET 78 2HG MET 78 -1.640 2.018 -6.425 607 HE1 MET 78 1HE MET 78 0.862 3.056 -3.911 608 HE2 MET 78 2HE MET 78 0.550 1.641 -4.945 609 HE3 MET 78 3HE MET 78 1.999 2.638 -5.215 610 H MET 79 H MET 79 -5.000 2.307 -7.966 611 HA MET 79 HA MET 79 -4.326 -0.291 -6.901 612 HB2 MET 79 1HB MET 79 -6.653 -1.127 -7.357 613 HB3 MET 79 2HB MET 79 -6.659 0.125 -6.132 614 HG2 MET 79 1HG MET 79 -7.324 1.821 -7.810 615 HG3 MET 79 2HG MET 79 -7.204 0.637 -9.097 616 HE1 MET 79 1HE MET 79 -9.980 2.436 -8.119 617 HE2 MET 79 2HE MET 79 -10.794 1.637 -6.752 618 HE3 MET 79 3HE MET 79 -9.162 2.316 -6.542 619 H HIS 80 H HIS 80 -4.586 -2.047 -8.601 620 HA HIS 80 HA HIS 80 -4.632 -2.789 -10.709 621 HB2 HIS 80 1HB HIS 80 -4.631 0.027 -11.798 622 HB3 HIS 80 2HB HIS 80 -5.118 -1.450 -12.605 623 HD1 HIS 80 1HD HIS 80 -7.008 1.036 -12.367 624 HD2 HIS 80 2HD HIS 80 -7.058 -2.270 -9.785 625 HE1 HIS 80 1HE HIS 80 -9.337 0.977 -11.326 626 H ARG 81 H ARG 81 -2.398 -1.350 -8.930 627 HA ARG 81 HA ARG 81 -0.256 -2.428 -9.972 628 HB2 ARG 81 1HB ARG 81 -1.030 -0.145 -11.674 629 HB3 ARG 81 2HB ARG 81 0.601 0.037 -11.058 630 HG2 ARG 81 1HG ARG 81 -0.062 -2.698 -12.055 631 HG3 ARG 81 2HG ARG 81 -0.064 -1.448 -13.284 632 HD2 ARG 81 1HD ARG 81 2.249 -0.750 -12.110 633 HD3 ARG 81 2HD ARG 81 2.226 -2.415 -11.565 634 HE ARG 81 HE ARG 81 2.631 -1.484 -14.309 635 HH11 ARG 81 2HH2 ARG 81 1.602 -4.200 -12.323 636 HH12 ARG 81 1HH2 ARG 81 1.948 -5.385 -13.538 637 HH21 ARG 81 2HH1 ARG 81 3.088 -3.046 -15.913 638 HH22 ARG 81 1HH1 ARG 81 2.799 -4.724 -15.594 639 H VAL 82 H VAL 82 1.840 -0.550 -9.678 640 HA VAL 82 HA VAL 82 1.204 0.766 -7.133 641 HB VAL 82 HB VAL 82 3.768 -0.717 -7.713 642 HG11 VAL 82 1HG1 VAL 82 2.581 0.661 -5.312 643 HG12 VAL 82 2HG1 VAL 82 3.759 -0.657 -5.106 644 HG13 VAL 82 3HG1 VAL 82 4.212 0.807 -6.011 645 HG21 VAL 82 1HG2 VAL 82 2.583 -2.266 -5.845 646 HG22 VAL 82 2HG2 VAL 82 1.145 -1.732 -6.749 647 HG23 VAL 82 3HG2 VAL 82 2.466 -2.575 -7.594 648 H ASN 83 H ASN 83 0.996 2.784 -8.224 649 HA ASN 83 HA ASN 83 3.126 3.626 -9.910 650 HB2 ASN 83 1HB ASN 83 0.506 4.754 -8.936 651 HB3 ASN 83 2HB ASN 83 1.712 5.918 -9.446 652 HD21 ASN 83 1HD2 ASN 83 -0.689 5.625 -10.747 653 HD22 ASN 83 2HD2 ASN 83 -0.449 4.989 -12.340 654 H THR 84 H THR 84 4.891 3.395 -8.240 655 HA THR 84 HA THR 84 5.068 4.409 -5.776 656 HB THR 84 HB THR 84 7.494 4.696 -6.285 657 HG1 THR 84 1HG THR 84 6.396 4.455 -8.999 658 HG21 THR 84 1HG2 THR 84 7.772 2.448 -6.605 659 HG22 THR 84 2HG2 THR 84 6.010 2.333 -6.828 660 HG23 THR 84 3HG2 THR 84 7.074 2.550 -8.239 661 H SER 85 H SER 85 5.483 6.394 -8.776 662 HA SER 85 HA SER 85 6.134 8.735 -7.740 663 HB2 SER 85 1HB SER 85 4.204 8.013 -9.952 664 HB3 SER 85 2HB SER 85 4.433 9.700 -9.536 665 HG SER 85 HG SER 85 5.957 9.283 -11.117 666 H LYS 86 H LYS 86 2.764 7.394 -7.872 667 HA LYS 86 HA LYS 86 1.591 9.609 -6.591 668 HB2 LYS 86 1HB LYS 86 0.688 7.406 -7.953 669 HB3 LYS 86 2HB LYS 86 0.255 6.993 -6.307 670 HG2 LYS 86 1HG LYS 86 -1.336 8.641 -6.172 671 HG3 LYS 86 2HG LYS 86 -0.331 9.818 -6.994 672 HD2 LYS 86 1HD LYS 86 -2.031 9.491 -8.574 673 HD3 LYS 86 2HD LYS 86 -0.813 8.369 -9.149 674 HE2 LYS 86 1HE LYS 86 -2.181 6.587 -8.797 675 HE3 LYS 86 2HE LYS 86 -2.472 7.063 -7.136 676 HZ1 LYS 86 1HZ LYS 86 -4.519 7.314 -8.025 677 HZ2 LYS 86 2HZ LYS 86 -3.964 8.825 -8.299 678 HZ3 LYS 86 3HZ LYS 86 -3.989 7.731 -9.512 679 H LEU 87 H LEU 87 2.433 6.290 -5.366 680 HA LEU 87 HA LEU 87 1.761 6.652 -2.760 681 HB2 LEU 87 1HB LEU 87 2.355 4.516 -3.375 682 HB3 LEU 87 2HB LEU 87 3.829 5.026 -4.172 683 HG LEU 87 HG LEU 87 4.800 5.537 -1.907 684 HD11 LEU 87 1HD1 LEU 87 2.632 3.857 -0.693 685 HD12 LEU 87 2HD1 LEU 87 3.760 4.998 0.077 686 HD13 LEU 87 3HD1 LEU 87 2.395 5.611 -0.887 687 HD21 LEU 87 1HD2 LEU 87 5.471 3.312 -1.491 688 HD22 LEU 87 2HD2 LEU 87 3.962 2.646 -2.161 689 HD23 LEU 87 3HD2 LEU 87 5.154 3.408 -3.240 690 H GLU 88 H GLU 88 5.120 7.139 -4.072 691 HA GLU 88 HA GLU 88 6.241 8.186 -1.890 692 HB2 GLU 88 1HB GLU 88 6.707 9.346 -4.666 693 HB3 GLU 88 2HB GLU 88 7.862 9.243 -3.352 694 HG2 GLU 88 1HG GLU 88 6.956 6.582 -3.722 695 HG3 GLU 88 2HG GLU 88 7.142 7.217 -5.345 696 H LYS 89 H LYS 89 4.491 10.101 -4.440 697 HA LYS 89 HA LYS 89 4.750 12.580 -3.340 698 HB2 LYS 89 1HB LYS 89 3.636 11.724 -5.548 699 HB3 LYS 89 2HB LYS 89 2.160 11.717 -4.604 700 HG2 LYS 89 1HG LYS 89 3.966 14.160 -4.613 701 HG3 LYS 89 2HG LYS 89 2.821 13.899 -5.914 702 HD2 LYS 89 1HD LYS 89 1.591 13.499 -3.262 703 HD3 LYS 89 2HD LYS 89 2.272 15.105 -3.435 704 HE2 LYS 89 1HE LYS 89 1.047 15.156 -5.754 705 HE3 LYS 89 2HE LYS 89 0.144 13.778 -5.156 706 HZ1 LYS 89 1HZ LYS 89 0.294 16.433 -3.910 707 HZ2 LYS 89 2HZ LYS 89 -1.013 15.751 -4.615 708 HZ3 LYS 89 3HZ LYS 89 -0.431 15.145 -3.214 709 H GLN 90 H GLN 90 2.295 10.041 -2.565 710 HA GLN 90 HA GLN 90 0.900 11.613 -0.758 711 HB2 GLN 90 1HB GLN 90 1.203 8.597 -1.035 712 HB3 GLN 90 2HB GLN 90 0.114 9.329 0.126 713 HG2 GLN 90 1HG GLN 90 0.040 9.762 -2.898 714 HG3 GLN 90 2HG GLN 90 -1.070 8.760 -1.984 715 HE21 GLN 90 1HE2 GLN 90 -0.131 11.953 -2.885 716 HE22 GLN 90 2HE2 GLN 90 -1.450 12.829 -2.182 717 H LEU 91 H LEU 91 3.380 9.012 -0.170 718 HA LEU 91 HA LEU 91 3.573 9.063 2.492 719 HB2 LEU 91 1HB LEU 91 5.675 8.852 0.359 720 HB3 LEU 91 2HB LEU 91 6.115 8.772 2.054 721 HG LEU 91 HG LEU 91 3.991 6.959 0.915 722 HD11 LEU 91 1HD1 LEU 91 5.966 6.691 -0.505 723 HD12 LEU 91 2HD1 LEU 91 6.973 6.417 0.937 724 HD13 LEU 91 3HD1 LEU 91 5.694 5.255 0.511 725 HD21 LEU 91 1HD2 LEU 91 4.977 7.398 3.497 726 HD22 LEU 91 2HD2 LEU 91 3.941 6.060 2.945 727 HD23 LEU 91 3HD2 LEU 91 5.710 5.864 2.970 728 H ARG 92 H ARG 92 5.439 11.328 0.340 729 HA ARG 92 HA ARG 92 6.678 12.799 2.120 730 HB2 ARG 92 1HB ARG 92 5.434 13.344 -0.512 731 HB3 ARG 92 2HB ARG 92 5.618 14.795 0.453 732 HG2 ARG 92 1HG ARG 92 8.033 14.285 0.791 733 HG3 ARG 92 2HG ARG 92 7.860 12.802 -0.127 734 HD2 ARG 92 1HD ARG 92 7.857 13.897 -2.151 735 HD3 ARG 92 2HD ARG 92 6.857 15.208 -1.557 736 HE ARG 92 HE ARG 92 9.572 15.231 -0.451 737 HH11 ARG 92 2HH2 ARG 92 7.535 16.276 -3.123 738 HH12 ARG 92 1HH2 ARG 92 8.572 17.590 -3.568 739 HH21 ARG 92 2HH1 ARG 92 10.941 16.965 -1.036 740 HH22 ARG 92 1HH1 ARG 92 10.523 17.984 -2.373 741 H LYS 93 H LYS 93 3.268 13.512 1.039 742 HA LYS 93 HA LYS 93 2.927 15.026 3.528 743 HB2 LYS 93 1HB LYS 93 1.790 15.293 0.766 744 HB3 LYS 93 2HB LYS 93 0.826 15.824 2.130 745 HG2 LYS 93 1HG LYS 93 3.328 16.886 2.741 746 HG3 LYS 93 2HG LYS 93 3.297 17.009 0.993 747 HD2 LYS 93 1HD LYS 93 0.985 18.097 1.205 748 HD3 LYS 93 2HD LYS 93 1.234 18.139 2.939 749 HE2 LYS 93 1HE LYS 93 2.446 20.044 2.736 750 HE3 LYS 93 2HE LYS 93 3.611 19.211 1.725 751 HZ1 LYS 93 1HZ LYS 93 2.767 20.160 -0.068 752 HZ2 LYS 93 2HZ LYS 93 1.219 19.826 0.331 753 HZ3 LYS 93 3HZ LYS 93 1.943 21.166 0.920 754 H LEU 94 H LEU 94 2.472 13.330 4.962 755 HA LEU 94 HA LEU 94 -0.201 12.432 4.918 756 HB2 LEU 94 1HB LEU 94 1.124 10.947 3.208 757 HB3 LEU 94 2HB LEU 94 1.720 10.153 4.653 758 HG LEU 94 HG LEU 94 -0.588 9.634 5.338 759 HD11 LEU 94 1HD1 LEU 94 -2.224 10.934 4.570 760 HD12 LEU 94 2HD1 LEU 94 -1.236 11.518 3.210 761 HD13 LEU 94 3HD1 LEU 94 -2.135 9.988 3.065 762 HD21 LEU 94 1HD2 LEU 94 -1.063 8.263 3.038 763 HD22 LEU 94 2HD2 LEU 94 0.665 8.650 2.854 764 HD23 LEU 94 3HD2 LEU 94 0.099 7.768 4.293 765 H SER 95 H SER 95 3.089 11.373 6.057 766 HA SER 95 HA SER 95 2.369 12.198 8.692 767 HB2 SER 95 1HB SER 95 2.497 9.298 7.901 768 HB3 SER 95 2HB SER 95 3.173 9.741 9.456 769 HG SER 95 HG SER 95 0.824 11.015 9.325 770 H GLY 96 H GLY 96 4.195 13.612 8.421 771 HA2 GLY 96 1HA GLY 96 6.778 12.234 8.697 772 HA3 GLY 96 2HA GLY 96 6.583 13.442 7.443 773 HA PRO 97 HA PRO 97 7.861 15.885 10.951 774 HB2 PRO 97 1HB PRO 97 9.337 17.703 9.543 775 HB3 PRO 97 2HB PRO 97 10.013 16.230 10.208 776 HG2 PRO 97 1HG PRO 97 9.345 16.858 7.398 777 HG3 PRO 97 2HG PRO 97 10.390 15.598 8.023 778 HD2 PRO 97 1HD PRO 97 7.720 15.276 7.024 779 HD3 PRO 97 2HD PRO 97 8.722 14.038 7.755 780 H SER 98 H SER 98 7.355 17.987 11.795 781 HA SER 98 HA SER 98 5.481 19.348 10.034 782 HB2 SER 98 1HB SER 98 4.288 17.895 11.746 783 HB3 SER 98 2HB SER 98 5.009 18.872 13.009 784 HG SER 98 HG SER 98 3.974 20.714 11.520 785 H SER 99 H SER 99 7.202 19.511 13.241 786 HA SER 99 HA SER 99 8.301 22.034 12.431 787 HB2 SER 99 1HB SER 99 6.103 22.605 13.521 788 HB3 SER 99 2HB SER 99 6.647 21.810 14.985 789 HG SER 99 HG SER 99 8.599 23.535 14.271 790 H GLY 100 H GLY 100 10.364 22.317 13.318 791 HA2 GLY 100 1HA GLY 100 11.656 21.961 15.435 792 HA3 GLY 100 2HA GLY 100 11.193 20.277 15.293 Start of MODEL 11 1 H1 GLY 1 H GLY 1 42.643 29.301 3.692 2 HA2 GLY 1 1HA GLY 1 41.899 31.064 1.591 3 HA3 GLY 1 2HA GLY 1 43.407 30.256 1.211 4 H SER 2 H SER 2 39.930 29.846 1.813 5 HA SER 2 HA SER 2 39.901 27.550 0.199 6 HB2 SER 2 1HB SER 2 40.700 26.420 2.221 7 HB3 SER 2 2HB SER 2 39.444 27.167 3.189 8 HG SER 2 HG SER 2 38.261 25.454 2.715 9 H SER 3 H SER 3 37.663 26.898 -0.302 10 HA SER 3 HA SER 3 35.925 29.067 -0.227 11 HB2 SER 3 1HB SER 3 35.922 26.292 -1.261 12 HB3 SER 3 2HB SER 3 34.325 26.869 -0.826 13 HG SER 3 HG SER 3 35.357 27.322 -3.101 14 H GLY 4 H GLY 4 33.492 28.703 0.554 15 HA2 GLY 4 1HA GLY 4 33.379 27.216 3.076 16 HA3 GLY 4 2HA GLY 4 33.148 28.953 3.137 17 H SER 5 H SER 5 31.161 26.937 3.844 18 HA SER 5 HA SER 5 28.989 28.021 2.527 19 HB2 SER 5 1HB SER 5 30.209 25.908 1.042 20 HB3 SER 5 2HB SER 5 28.743 25.237 1.729 21 HG SER 5 HG SER 5 27.641 27.230 0.865 22 H SER 6 H SER 6 27.075 27.514 3.690 23 HA SER 6 HA SER 6 27.452 25.476 5.744 24 HB2 SER 6 1HB SER 6 27.461 27.944 6.507 25 HB3 SER 6 2HB SER 6 25.764 27.987 6.071 26 HG SER 6 HG SER 6 26.212 25.760 7.589 27 H GLY 7 H GLY 7 25.929 23.852 5.706 28 HA2 GLY 7 1HA GLY 7 23.241 24.433 4.732 29 HA3 GLY 7 2HA GLY 7 24.184 23.289 3.798 30 H ASN 8 H ASN 8 21.742 23.211 5.830 31 HA ASN 8 HA ASN 8 22.342 20.628 6.732 32 HB2 ASN 8 1HB ASN 8 23.585 21.898 8.494 33 HB3 ASN 8 2HB ASN 8 22.147 22.832 8.853 34 HD21 ASN 8 1HD2 ASN 8 21.216 22.230 10.640 35 HD22 ASN 8 2HD2 ASN 8 21.034 20.618 11.246 36 H LEU 9 H LEU 9 20.303 19.879 6.076 37 HA LEU 9 HA LEU 9 17.989 21.546 6.409 38 HB2 LEU 9 1HB LEU 9 18.274 20.241 4.400 39 HB3 LEU 9 2HB LEU 9 18.386 18.756 5.324 40 HG LEU 9 HG LEU 9 16.003 19.257 6.135 41 HD11 LEU 9 1HD1 LEU 9 14.712 20.621 4.375 42 HD12 LEU 9 2HD1 LEU 9 15.637 21.501 5.616 43 HD13 LEU 9 3HD1 LEU 9 16.293 21.331 3.970 44 HD21 LEU 9 1HD2 LEU 9 16.542 18.596 3.228 45 HD22 LEU 9 2HD2 LEU 9 16.476 17.461 4.597 46 HD23 LEU 9 3HD2 LEU 9 15.002 18.311 4.074 47 H SER 10 H SER 10 16.144 21.066 7.722 48 HA SER 10 HA SER 10 16.804 19.240 9.899 49 HB2 SER 10 1HB SER 10 15.321 21.901 9.981 50 HB3 SER 10 2HB SER 10 15.335 20.774 11.323 51 HG SER 10 HG SER 10 16.999 22.316 11.629 52 H ALA 11 H ALA 11 15.087 17.893 10.689 53 HA ALA 11 HA ALA 11 12.416 18.194 9.927 54 HB1 ALA 11 1HB ALA 11 12.225 16.378 8.274 55 HB2 ALA 11 2HB ALA 11 13.287 17.671 7.669 56 HB3 ALA 11 3HB ALA 11 13.992 16.161 8.295 57 H SER 12 H SER 12 11.104 16.297 10.669 58 HA SER 12 HA SER 12 12.404 14.187 11.977 59 HB2 SER 12 1HB SER 12 11.704 14.770 14.317 60 HB3 SER 12 2HB SER 12 12.955 15.822 13.686 61 HG SER 12 HG SER 12 11.489 17.494 13.426 62 H ASN 13 H ASN 13 10.956 12.539 11.665 63 HA ASN 13 HA ASN 13 8.138 13.286 11.753 64 HB2 ASN 13 1HB ASN 13 7.723 11.470 10.120 65 HB3 ASN 13 2HB ASN 13 8.921 12.576 9.477 66 HD21 ASN 13 1HD2 ASN 13 8.192 9.391 10.390 67 HD22 ASN 13 2HD2 ASN 13 9.737 8.652 10.133 68 H ARG 14 H ARG 14 6.702 11.292 12.380 69 HA ARG 14 HA ARG 14 8.127 9.318 13.899 70 HB2 ARG 14 1HB ARG 14 7.670 11.262 15.479 71 HB3 ARG 14 2HB ARG 14 5.955 11.035 15.200 72 HG2 ARG 14 1HG ARG 14 5.885 8.996 16.360 73 HG3 ARG 14 2HG ARG 14 7.570 8.632 16.044 74 HD2 ARG 14 1HD ARG 14 7.642 11.024 17.559 75 HD3 ARG 14 2HD ARG 14 6.379 10.071 18.311 76 HE ARG 14 HE ARG 14 7.977 8.448 18.951 77 HH11 ARG 14 2HH2 ARG 14 9.425 10.817 16.789 78 HH12 ARG 14 1HH2 ARG 14 11.047 10.293 17.095 79 HH21 ARG 14 2HH1 ARG 14 10.117 7.756 19.354 80 HH22 ARG 14 1HH1 ARG 14 11.444 8.540 18.563 81 H ALA 15 H ALA 15 6.965 7.340 14.002 82 HA ALA 15 HA ALA 15 5.419 5.840 13.500 83 HB1 ALA 15 1HB ALA 15 3.410 8.124 13.580 84 HB2 ALA 15 2HB ALA 15 3.090 6.392 13.834 85 HB3 ALA 15 3HB ALA 15 4.042 7.306 15.029 86 H LEU 16 H LEU 16 4.714 4.843 11.611 87 HA LEU 16 HA LEU 16 4.741 6.586 9.249 88 HB2 LEU 16 1HB LEU 16 5.274 3.619 9.362 89 HB3 LEU 16 2HB LEU 16 5.482 4.688 7.989 90 HG LEU 16 HG LEU 16 7.072 4.917 10.557 91 HD11 LEU 16 1HD1 LEU 16 7.299 2.989 8.431 92 HD12 LEU 16 2HD1 LEU 16 8.737 4.038 8.462 93 HD13 LEU 16 3HD1 LEU 16 8.252 3.149 9.926 94 HD21 LEU 16 1HD2 LEU 16 6.701 6.781 8.559 95 HD22 LEU 16 2HD2 LEU 16 8.064 6.724 9.702 96 HD23 LEU 16 3HD2 LEU 16 8.223 5.987 8.090 97 HA PRO 17 HA PRO 17 0.647 5.478 8.463 98 HB2 PRO 17 1HB PRO 17 0.502 5.587 5.736 99 HB3 PRO 17 2HB PRO 17 0.463 7.012 6.756 100 HG2 PRO 17 1HG PRO 17 2.678 5.987 5.088 101 HG3 PRO 17 2HG PRO 17 2.462 7.590 5.761 102 HD2 PRO 17 1HD PRO 17 4.225 5.545 6.729 103 HD3 PRO 17 2HD PRO 17 3.923 7.105 7.469 104 H VAL 18 H VAL 18 -0.923 3.910 7.724 105 HA VAL 18 HA VAL 18 0.472 1.367 7.346 106 HB VAL 18 HB VAL 18 -2.269 2.109 8.370 107 HG11 VAL 18 1HG1 VAL 18 -2.771 -0.231 8.638 108 HG12 VAL 18 2HG1 VAL 18 -2.343 0.058 6.934 109 HG13 VAL 18 3HG1 VAL 18 -1.163 -0.697 8.032 110 HG21 VAL 18 1HG2 VAL 18 0.301 1.195 9.595 111 HG22 VAL 18 2HG2 VAL 18 -0.897 2.370 10.187 112 HG23 VAL 18 3HG2 VAL 18 -1.222 0.624 10.317 113 H LEU 19 H LEU 19 0.675 0.723 5.267 114 HA LEU 19 HA LEU 19 -1.332 1.651 3.366 115 HB2 LEU 19 1HB LEU 19 1.025 2.077 2.884 116 HB3 LEU 19 2HB LEU 19 1.370 0.360 2.962 117 HG LEU 19 HG LEU 19 -0.537 0.302 1.066 118 HD11 LEU 19 1HD1 LEU 19 0.823 2.956 0.551 119 HD12 LEU 19 2HD1 LEU 19 -0.454 2.172 -0.410 120 HD13 LEU 19 3HD1 LEU 19 -0.819 2.792 1.218 121 HD21 LEU 19 1HD2 LEU 19 2.290 0.092 1.183 122 HD22 LEU 19 2HD2 LEU 19 1.173 -0.595 -0.021 123 HD23 LEU 19 3HD2 LEU 19 1.884 1.016 -0.283 124 H THR 20 H THR 20 -3.070 0.373 3.057 125 HA THR 20 HA THR 20 -2.933 -2.414 3.780 126 HB THR 20 HB THR 20 -5.278 -1.096 2.392 127 HG1 THR 20 1HG THR 20 -4.312 -0.717 5.139 128 HG21 THR 20 1HG2 THR 20 -4.886 -2.926 4.814 129 HG22 THR 20 2HG2 THR 20 -6.452 -2.198 4.383 130 HG23 THR 20 3HG2 THR 20 -5.667 -3.346 3.271 131 H LEU 21 H LEU 21 -2.241 -4.004 2.509 132 HA LEU 21 HA LEU 21 -2.437 -3.540 -0.386 133 HB2 LEU 21 1HB LEU 21 -0.189 -3.636 -0.054 134 HB3 LEU 21 2HB LEU 21 -0.312 -4.682 1.346 135 HG LEU 21 HG LEU 21 -0.808 -6.603 -0.123 136 HD11 LEU 21 1HD1 LEU 21 -1.785 -6.007 -2.071 137 HD12 LEU 21 2HD1 LEU 21 -0.880 -4.478 -2.192 138 HD13 LEU 21 3HD1 LEU 21 -0.101 -6.012 -2.650 139 HD21 LEU 21 1HD2 LEU 21 1.595 -5.586 0.469 140 HD22 LEU 21 2HD2 LEU 21 1.380 -7.054 -0.515 141 HD23 LEU 21 3HD2 LEU 21 1.683 -5.488 -1.306 142 H PHE 22 H PHE 22 -3.817 -4.826 -1.485 143 HA PHE 22 HA PHE 22 -4.728 -7.238 -0.086 144 HB2 PHE 22 1HB PHE 22 -5.947 -5.281 -2.110 145 HB3 PHE 22 2HB PHE 22 -6.690 -6.840 -1.812 146 HD1 PHE 22 1HD PHE 22 -7.571 -7.360 0.476 147 HD2 PHE 22 2HD PHE 22 -6.242 -3.475 -0.598 148 HE1 PHE 22 1HE PHE 22 -8.815 -6.394 2.430 149 HE2 PHE 22 2HE PHE 22 -7.486 -2.509 1.356 150 HZ PHE 22 HZ PHE 22 -8.758 -3.980 2.847 151 H THR 23 H THR 23 -3.620 -8.987 -0.864 152 HA THR 23 HA THR 23 -3.356 -9.160 -3.795 153 HB THR 23 HB THR 23 -1.143 -8.855 -2.867 154 HG1 THR 23 1HG THR 23 -1.705 -11.730 -2.907 155 HG21 THR 23 1HG2 THR 23 -0.301 -10.432 -1.069 156 HG22 THR 23 2HG2 THR 23 -1.546 -9.308 -0.475 157 HG23 THR 23 3HG2 THR 23 -1.973 -10.997 -0.840 158 H LYS 24 H LYS 24 -3.329 -11.403 -4.658 159 HA LYS 24 HA LYS 24 -4.520 -13.393 -2.952 160 HB2 LYS 24 1HB LYS 24 -6.502 -13.710 -4.398 161 HB3 LYS 24 2HB LYS 24 -6.517 -12.183 -3.539 162 HG2 LYS 24 1HG LYS 24 -5.910 -10.939 -5.503 163 HG3 LYS 24 2HG LYS 24 -5.398 -12.379 -6.361 164 HD2 LYS 24 1HD LYS 24 -8.138 -12.788 -5.588 165 HD3 LYS 24 2HD LYS 24 -8.031 -11.175 -6.267 166 HE2 LYS 24 1HE LYS 24 -6.464 -13.033 -7.885 167 HE3 LYS 24 2HE LYS 24 -8.092 -13.649 -7.685 168 HZ1 LYS 24 1HZ LYS 24 -7.896 -12.153 -9.558 169 HZ2 LYS 24 2HZ LYS 24 -8.940 -11.555 -8.453 170 HZ3 LYS 24 3HZ LYS 24 -7.437 -10.927 -8.580 171 H ALA 25 H ALA 25 -3.469 -15.243 -3.419 172 HA ALA 25 HA ALA 25 -2.013 -15.384 -5.913 173 HB1 ALA 25 1HB ALA 25 -1.197 -16.026 -3.524 174 HB2 ALA 25 2HB ALA 25 -2.137 -17.517 -3.772 175 HB3 ALA 25 3HB ALA 25 -0.801 -17.114 -4.877 176 HA PRO 26 HA PRO 26 -1.295 -16.609 -7.173 177 HB2 PRO 26 1HB PRO 26 -1.529 -16.808 -9.889 178 HB3 PRO 26 2HB PRO 26 -1.021 -18.141 -8.871 179 HG2 PRO 26 1HG PRO 26 -3.630 -17.709 -10.193 180 HG3 PRO 26 2HG PRO 26 -2.961 -19.192 -9.542 181 HD2 PRO 26 1HD PRO 26 -4.979 -17.546 -8.339 182 HD3 PRO 26 2HD PRO 26 -4.228 -18.965 -7.637 183 H CYS 27 H CYS 27 -0.250 -14.811 -8.349 184 HA CYS 27 HA CYS 27 -1.909 -12.888 -9.526 185 HB2 CYS 27 1HB CYS 27 -1.537 -11.113 -7.687 186 HB3 CYS 27 2HB CYS 27 -2.846 -12.262 -7.486 187 HG CYS 27 HG CYS 27 0.209 -12.304 -6.216 188 HA PRO 28 HA PRO 28 2.366 -12.360 -10.552 189 HB2 PRO 28 1HB PRO 28 1.974 -11.180 -12.985 190 HB3 PRO 28 2HB PRO 28 2.044 -12.916 -12.763 191 HG2 PRO 28 1HG PRO 28 -0.317 -11.204 -13.243 192 HG3 PRO 28 2HG PRO 28 -0.161 -12.938 -13.439 193 HD2 PRO 28 1HD PRO 28 -1.461 -11.565 -11.282 194 HD3 PRO 28 2HD PRO 28 -1.203 -13.293 -11.421 195 H LEU 29 H LEU 29 -0.064 -9.856 -10.808 196 HA LEU 29 HA LEU 29 1.890 -7.781 -10.691 197 HB2 LEU 29 1HB LEU 29 -1.116 -7.844 -10.458 198 HB3 LEU 29 2HB LEU 29 -0.181 -6.368 -10.314 199 HG LEU 29 HG LEU 29 0.663 -6.633 -12.592 200 HD11 LEU 29 1HD1 LEU 29 -0.889 -9.223 -12.533 201 HD12 LEU 29 2HD1 LEU 29 -0.420 -8.416 -14.049 202 HD13 LEU 29 3HD1 LEU 29 0.832 -8.961 -12.906 203 HD21 LEU 29 1HD2 LEU 29 -2.058 -6.143 -11.852 204 HD22 LEU 29 2HD2 LEU 29 -1.105 -5.433 -13.177 205 HD23 LEU 29 3HD2 LEU 29 -2.025 -6.932 -13.447 206 H CYS 30 H CYS 30 -0.750 -8.747 -8.381 207 HA CYS 30 HA CYS 30 -0.039 -7.292 -6.265 208 HB2 CYS 30 1HB CYS 30 -0.859 -10.207 -6.067 209 HB3 CYS 30 2HB CYS 30 -1.063 -8.974 -4.838 210 HG CYS 30 HG CYS 30 -3.162 -8.167 -5.560 211 H ASP 31 H ASP 31 1.668 -10.075 -7.667 212 HA ASP 31 HA ASP 31 3.292 -10.564 -5.433 213 HB2 ASP 31 1HB ASP 31 3.089 -11.441 -8.257 214 HB3 ASP 31 2HB ASP 31 4.740 -11.413 -7.671 215 H GLU 32 H GLU 32 3.795 -8.919 -8.648 216 HA GLU 32 HA GLU 32 6.383 -8.076 -8.060 217 HB2 GLU 32 1HB GLU 32 4.774 -8.117 -10.299 218 HB3 GLU 32 2HB GLU 32 4.801 -6.402 -9.943 219 HG2 GLU 32 1HG GLU 32 6.834 -6.298 -10.941 220 HG3 GLU 32 2HG GLU 32 7.482 -7.212 -9.594 221 H ALA 33 H ALA 33 3.142 -6.566 -7.648 222 HA ALA 33 HA ALA 33 3.757 -3.997 -7.122 223 HB1 ALA 33 1HB ALA 33 1.543 -4.136 -6.754 224 HB2 ALA 33 2HB ALA 33 1.653 -5.887 -6.456 225 HB3 ALA 33 3HB ALA 33 1.909 -4.739 -5.120 226 H LYS 34 H LYS 34 3.719 -6.641 -4.620 227 HA LYS 34 HA LYS 34 4.649 -5.205 -2.514 228 HB2 LYS 34 1HB LYS 34 5.163 -8.085 -3.295 229 HB3 LYS 34 2HB LYS 34 5.633 -7.416 -1.746 230 HG2 LYS 34 1HG LYS 34 3.440 -7.206 -1.002 231 HG3 LYS 34 2HG LYS 34 2.807 -6.893 -2.606 232 HD2 LYS 34 1HD LYS 34 2.183 -9.063 -2.780 233 HD3 LYS 34 2HD LYS 34 3.863 -9.551 -2.671 234 HE2 LYS 34 1HE LYS 34 2.072 -8.998 -0.256 235 HE3 LYS 34 2HE LYS 34 2.396 -10.596 -0.900 236 HZ1 LYS 34 1HZ LYS 34 3.860 -9.985 0.925 237 HZ2 LYS 34 2HZ LYS 34 4.704 -10.290 -0.439 238 HZ3 LYS 34 3HZ LYS 34 4.474 -8.750 0.052 239 H GLU 35 H GLU 35 6.622 -6.848 -5.073 240 HA GLU 35 HA GLU 35 9.068 -6.202 -4.035 241 HB2 GLU 35 1HB GLU 35 8.459 -6.267 -7.014 242 HB3 GLU 35 2HB GLU 35 9.955 -6.714 -6.217 243 HG2 GLU 35 1HG GLU 35 8.442 -8.487 -4.950 244 HG3 GLU 35 2HG GLU 35 7.321 -8.214 -6.269 245 H VAL 36 H VAL 36 6.691 -4.200 -5.724 246 HA VAL 36 HA VAL 36 8.575 -2.121 -6.331 247 HB VAL 36 HB VAL 36 5.561 -1.986 -6.326 248 HG11 VAL 36 1HG1 VAL 36 7.440 -0.608 -8.240 249 HG12 VAL 36 2HG1 VAL 36 5.770 -0.182 -7.794 250 HG13 VAL 36 3HG1 VAL 36 7.097 0.084 -6.637 251 HG21 VAL 36 1HG2 VAL 36 5.417 -3.415 -8.032 252 HG22 VAL 36 2HG2 VAL 36 6.674 -2.535 -8.934 253 HG23 VAL 36 3HG2 VAL 36 7.133 -3.818 -7.789 254 H LEU 37 H LEU 37 6.808 -3.213 -3.562 255 HA LEU 37 HA LEU 37 6.987 -0.553 -2.348 256 HB2 LEU 37 1HB LEU 37 5.420 -3.016 -1.572 257 HB3 LEU 37 2HB LEU 37 5.513 -1.559 -0.602 258 HG LEU 37 HG LEU 37 4.157 -1.982 -3.254 259 HD11 LEU 37 1HD1 LEU 37 3.310 -0.945 -0.545 260 HD12 LEU 37 2HD1 LEU 37 2.309 -0.778 -2.007 261 HD13 LEU 37 3HD1 LEU 37 2.742 -2.396 -1.406 262 HD21 LEU 37 1HD2 LEU 37 4.996 0.682 -2.084 263 HD22 LEU 37 2HD2 LEU 37 5.458 -0.009 -3.657 264 HD23 LEU 37 3HD2 LEU 37 3.773 0.482 -3.362 265 H GLN 38 H GLN 38 8.738 -3.407 -2.737 266 HA GLN 38 HA GLN 38 9.582 -4.131 -0.292 267 HB2 GLN 38 1HB GLN 38 10.477 -4.430 -2.988 268 HB3 GLN 38 2HB GLN 38 11.884 -3.966 -2.053 269 HG2 GLN 38 1HG GLN 38 10.230 -5.965 -0.646 270 HG3 GLN 38 2HG GLN 38 10.772 -6.542 -2.210 271 HE21 GLN 38 1HE2 GLN 38 12.451 -4.152 -0.254 272 HE22 GLN 38 2HE2 GLN 38 13.848 -5.100 0.136 273 HA PRO 39 HA PRO 39 12.654 -0.511 -0.313 274 HB2 PRO 39 1HB PRO 39 12.410 1.470 -2.180 275 HB3 PRO 39 2HB PRO 39 13.515 0.121 -2.353 276 HG2 PRO 39 1HG PRO 39 10.938 0.591 -3.721 277 HG3 PRO 39 2HG PRO 39 12.237 -0.495 -4.171 278 HD2 PRO 39 1HD PRO 39 9.749 -1.213 -2.936 279 HD3 PRO 39 2HD PRO 39 11.095 -2.281 -3.280 280 H TYR 40 H TYR 40 9.434 -0.532 -0.267 281 HA TYR 40 HA TYR 40 9.387 2.043 1.157 282 HB2 TYR 40 1HB TYR 40 7.269 0.512 -0.479 283 HB3 TYR 40 2HB TYR 40 6.932 1.998 0.386 284 HD1 TYR 40 2HD TYR 40 8.638 0.529 -2.530 285 HD2 TYR 40 1HD TYR 40 7.683 4.152 -0.465 286 HE1 TYR 40 2HE TYR 40 9.323 1.881 -4.571 287 HE2 TYR 40 1HE TYR 40 8.371 5.492 -2.513 288 HH TYR 40 HH TYR 40 8.475 5.022 -5.018 289 H LYS 41 H LYS 41 9.615 -1.162 1.695 290 HA LYS 41 HA LYS 41 7.392 -1.789 3.258 291 HB2 LYS 41 1HB LYS 41 10.241 -2.823 3.289 292 HB3 LYS 41 2HB LYS 41 8.941 -3.525 4.232 293 HG2 LYS 41 1HG LYS 41 8.726 -3.135 1.216 294 HG3 LYS 41 2HG LYS 41 9.409 -4.587 1.921 295 HD2 LYS 41 1HD LYS 41 6.654 -3.562 2.721 296 HD3 LYS 41 2HD LYS 41 6.878 -4.621 1.343 297 HE2 LYS 41 1HE LYS 41 8.320 -5.658 3.673 298 HE3 LYS 41 2HE LYS 41 6.633 -5.389 4.065 299 HZ1 LYS 41 1HZ LYS 41 6.053 -6.661 2.094 300 HZ2 LYS 41 2HZ LYS 41 7.630 -6.945 1.781 301 HZ3 LYS 41 3HZ LYS 41 6.944 -7.551 3.133 302 H ASP 42 H ASP 42 10.501 -0.141 4.008 303 HA ASP 42 HA ASP 42 9.778 0.028 6.766 304 HB2 ASP 42 1HB ASP 42 12.172 0.069 5.368 305 HB3 ASP 42 2HB ASP 42 11.954 1.772 5.718 306 H ARG 43 H ARG 43 9.165 1.725 3.820 307 HA ARG 43 HA ARG 43 9.182 4.340 4.808 308 HB2 ARG 43 1HB ARG 43 8.028 2.951 2.376 309 HB3 ARG 43 2HB ARG 43 7.526 4.596 2.713 310 HG2 ARG 43 1HG ARG 43 10.460 3.773 2.583 311 HG3 ARG 43 2HG ARG 43 9.573 4.323 1.175 312 HD2 ARG 43 1HD ARG 43 10.337 6.392 1.842 313 HD3 ARG 43 2HD ARG 43 8.933 6.344 2.890 314 HE ARG 43 HE ARG 43 11.004 5.030 4.294 315 HH11 ARG 43 2HH2 ARG 43 10.369 8.248 3.019 316 HH12 ARG 43 1HH2 ARG 43 11.332 9.050 4.214 317 HH21 ARG 43 2HH1 ARG 43 12.274 6.088 5.871 318 HH22 ARG 43 1HH1 ARG 43 12.423 7.814 5.847 319 H PHE 44 H PHE 44 7.005 1.635 5.137 320 HA PHE 44 HA PHE 44 5.323 3.044 6.884 321 HB2 PHE 44 1HB PHE 44 3.244 2.702 5.346 322 HB3 PHE 44 2HB PHE 44 4.315 4.013 4.894 323 HD1 PHE 44 1HD PHE 44 4.038 0.336 4.252 324 HD2 PHE 44 2HD PHE 44 4.782 4.196 2.653 325 HE1 PHE 44 1HE PHE 44 4.291 -0.661 1.962 326 HE2 PHE 44 2HE PHE 44 5.035 3.199 0.363 327 HZ PHE 44 HZ PHE 44 4.786 0.782 0.045 328 H ILE 45 H ILE 45 3.177 1.577 7.239 329 HA ILE 45 HA ILE 45 4.245 -1.112 7.545 330 HB ILE 45 HB ILE 45 1.931 0.374 8.774 331 HG12 ILE 45 1HG1 ILE 45 4.077 -0.924 10.374 332 HG13 ILE 45 2HG1 ILE 45 4.548 0.478 9.435 333 HG21 ILE 45 1HG2 ILE 45 0.887 -1.544 9.157 334 HG22 ILE 45 2HG2 ILE 45 2.196 -2.466 8.379 335 HG23 ILE 45 3HG2 ILE 45 2.290 -2.078 10.114 336 HD11 ILE 45 1HD1 ILE 45 2.022 0.581 11.105 337 HD12 ILE 45 2HD1 ILE 45 3.612 0.822 11.869 338 HD13 ILE 45 3HD1 ILE 45 3.071 1.919 10.576 339 H LEU 46 H LEU 46 4.025 -2.259 5.664 340 HA LEU 46 HA LEU 46 1.716 -1.901 4.016 341 HB2 LEU 46 1HB LEU 46 3.968 -2.350 3.135 342 HB3 LEU 46 2HB LEU 46 3.953 -3.928 3.897 343 HG LEU 46 HG LEU 46 2.054 -4.609 2.483 344 HD11 LEU 46 1HD1 LEU 46 0.735 -3.003 1.678 345 HD12 LEU 46 2HD1 LEU 46 1.990 -1.756 1.868 346 HD13 LEU 46 3HD1 LEU 46 1.964 -2.778 0.410 347 HD21 LEU 46 1HD2 LEU 46 3.532 -5.370 1.013 348 HD22 LEU 46 2HD2 LEU 46 3.759 -3.749 0.315 349 HD23 LEU 46 3HD2 LEU 46 4.730 -4.258 1.717 350 H GLN 47 H GLN 47 -0.240 -2.620 4.678 351 HA GLN 47 HA GLN 47 -0.291 -4.996 6.319 352 HB2 GLN 47 1HB GLN 47 -1.627 -2.714 6.662 353 HB3 GLN 47 2HB GLN 47 -2.763 -3.445 5.547 354 HG2 GLN 47 1HG GLN 47 -2.825 -5.498 7.043 355 HG3 GLN 47 2HG GLN 47 -1.805 -4.647 8.186 356 HE21 GLN 47 1HE2 GLN 47 -3.128 -4.361 9.853 357 HE22 GLN 47 2HE2 GLN 47 -4.624 -3.490 9.830 358 H GLU 48 H GLU 48 -0.050 -6.807 5.012 359 HA GLU 48 HA GLU 48 -1.352 -6.880 2.481 360 HB2 GLU 48 1HB GLU 48 0.628 -8.506 3.968 361 HB3 GLU 48 2HB GLU 48 -0.460 -9.462 2.982 362 HG2 GLU 48 1HG GLU 48 0.375 -8.631 0.999 363 HG3 GLU 48 2HG GLU 48 0.594 -7.015 1.643 364 H VAL 49 H VAL 49 -3.552 -7.129 2.425 365 HA VAL 49 HA VAL 49 -4.789 -8.796 4.468 366 HB VAL 49 HB VAL 49 -5.889 -6.903 2.384 367 HG11 VAL 49 1HG1 VAL 49 -7.955 -7.318 4.105 368 HG12 VAL 49 2HG1 VAL 49 -7.750 -8.175 2.558 369 HG13 VAL 49 3HG1 VAL 49 -7.217 -8.938 4.076 370 HG21 VAL 49 1HG2 VAL 49 -5.447 -5.329 3.902 371 HG22 VAL 49 2HG2 VAL 49 -6.610 -6.118 4.995 372 HG23 VAL 49 3HG2 VAL 49 -4.884 -6.548 5.071 373 H ASP 50 H ASP 50 -5.997 -10.669 3.992 374 HA ASP 50 HA ASP 50 -5.343 -11.756 1.381 375 HB2 ASP 50 1HB ASP 50 -5.874 -12.894 4.110 376 HB3 ASP 50 2HB ASP 50 -6.393 -13.869 2.749 377 H ILE 51 H ILE 51 -7.052 -11.201 -0.022 378 HA ILE 51 HA ILE 51 -9.734 -11.017 0.958 379 HB ILE 51 HB ILE 51 -10.281 -10.431 -1.329 380 HG12 ILE 51 1HG1 ILE 51 -7.388 -10.840 -2.098 381 HG13 ILE 51 2HG1 ILE 51 -8.586 -12.102 -2.308 382 HG21 ILE 51 1HG2 ILE 51 -9.518 -8.348 -1.053 383 HG22 ILE 51 2HG2 ILE 51 -8.748 -8.976 0.424 384 HG23 ILE 51 3HG2 ILE 51 -7.814 -8.863 -1.086 385 HD11 ILE 51 1HD1 ILE 51 -9.778 -9.718 -3.329 386 HD12 ILE 51 2HD1 ILE 51 -8.112 -9.763 -3.953 387 HD13 ILE 51 3HD1 ILE 51 -9.212 -11.130 -4.253 388 H THR 52 H THR 52 -7.647 -13.492 -0.390 389 HA THR 52 HA THR 52 -9.598 -15.145 -1.534 390 HB THR 52 HB THR 52 -7.777 -16.876 -1.235 391 HG1 THR 52 1HG THR 52 -7.046 -16.111 0.856 392 HG21 THR 52 1HG2 THR 52 -5.914 -14.801 -1.896 393 HG22 THR 52 2HG2 THR 52 -6.775 -15.873 -3.026 394 HG23 THR 52 3HG2 THR 52 -7.484 -14.305 -2.571 395 H LEU 53 H LEU 53 -9.151 -14.194 1.732 396 HA LEU 53 HA LEU 53 -10.053 -16.634 2.901 397 HB2 LEU 53 1HB LEU 53 -9.592 -13.831 3.877 398 HB3 LEU 53 2HB LEU 53 -10.393 -15.015 4.891 399 HG LEU 53 HG LEU 53 -7.669 -15.495 3.665 400 HD11 LEU 53 1HD1 LEU 53 -6.681 -14.825 5.796 401 HD12 LEU 53 2HD1 LEU 53 -7.558 -13.473 5.039 402 HD13 LEU 53 3HD1 LEU 53 -8.286 -14.353 6.404 403 HD21 LEU 53 1HD2 LEU 53 -7.604 -17.437 4.795 404 HD22 LEU 53 2HD2 LEU 53 -8.448 -16.769 6.212 405 HD23 LEU 53 3HD2 LEU 53 -9.378 -17.284 4.784 406 HA PRO 54 HA PRO 54 -14.304 -16.060 2.434 407 HB2 PRO 54 1HB PRO 54 -15.299 -17.458 4.561 408 HB3 PRO 54 2HB PRO 54 -14.748 -18.223 3.084 409 HG2 PRO 54 1HG PRO 54 -13.415 -18.107 5.720 410 HG3 PRO 54 2HG PRO 54 -13.107 -19.195 4.381 411 HD2 PRO 54 1HD PRO 54 -11.528 -16.926 5.146 412 HD3 PRO 54 2HD PRO 54 -11.287 -17.945 3.741 413 H GLU 55 H GLU 55 -12.950 -15.218 5.524 414 HA GLU 55 HA GLU 55 -15.244 -13.734 6.263 415 HB2 GLU 55 1HB GLU 55 -13.975 -13.109 8.217 416 HB3 GLU 55 2HB GLU 55 -13.603 -14.787 7.874 417 HG2 GLU 55 1HG GLU 55 -11.522 -14.047 6.656 418 HG3 GLU 55 2HG GLU 55 -11.885 -12.387 7.082 419 H ASN 56 H ASN 56 -12.732 -13.231 4.016 420 HA ASN 56 HA ASN 56 -13.032 -10.344 4.286 421 HB2 ASN 56 1HB ASN 56 -10.807 -12.048 3.059 422 HB3 ASN 56 2HB ASN 56 -10.907 -10.317 2.800 423 HD21 ASN 56 1HD2 ASN 56 -8.818 -11.786 4.086 424 HD22 ASN 56 2HD2 ASN 56 -8.673 -11.223 5.717 425 H SER 57 H SER 57 -14.433 -12.856 2.767 426 HA SER 57 HA SER 57 -14.160 -12.791 0.145 427 HB2 SER 57 1HB SER 57 -16.133 -13.648 1.929 428 HB3 SER 57 2HB SER 57 -17.014 -12.565 0.871 429 HG SER 57 HG SER 57 -16.615 -13.849 -0.880 430 H THR 58 H THR 58 -15.812 -10.293 2.145 431 HA THR 58 HA THR 58 -16.927 -8.799 0.080 432 HB THR 58 HB THR 58 -15.995 -8.276 2.924 433 HG1 THR 58 1HG THR 58 -18.522 -8.011 1.464 434 HG21 THR 58 1HG2 THR 58 -17.501 -6.265 1.185 435 HG22 THR 58 2HG2 THR 58 -16.912 -6.036 2.848 436 HG23 THR 58 3HG2 THR 58 -15.755 -6.127 1.499 437 H TRP 59 H TRP 59 -13.695 -8.426 1.679 438 HA TRP 59 HA TRP 59 -12.806 -6.263 0.293 439 HB2 TRP 59 1HB TRP 59 -11.448 -8.673 1.439 440 HB3 TRP 59 2HB TRP 59 -10.514 -7.525 0.501 441 HD1 TRP 59 HD TRP 59 -11.252 -8.131 3.977 442 HE1 TRP 59 1HE TRP 59 -11.038 -6.023 5.550 443 HE3 TRP 59 3HE TRP 59 -11.308 -4.683 0.240 444 HZ2 TRP 59 2HZ TRP 59 -10.919 -3.213 5.066 445 HZ3 TRP 59 3HZ TRP 59 -11.139 -2.279 0.876 446 HH2 TRP 59 HH TRP 59 -10.949 -1.524 3.193 447 H TYR 60 H TYR 60 -13.031 -9.707 -0.728 448 HA TYR 60 HA TYR 60 -11.705 -9.236 -3.216 449 HB2 TYR 60 1HB TYR 60 -11.947 -11.403 -1.773 450 HB3 TYR 60 2HB TYR 60 -13.621 -11.461 -2.288 451 HD1 TYR 60 2HD TYR 60 -13.977 -11.386 -4.930 452 HD2 TYR 60 1HD TYR 60 -10.363 -12.598 -2.988 453 HE1 TYR 60 2HE TYR 60 -13.285 -12.678 -7.008 454 HE2 TYR 60 1HE TYR 60 -9.683 -13.885 -5.072 455 HH TYR 60 HH TYR 60 -10.163 -14.372 -7.120 456 H GLU 61 H GLU 61 -15.135 -9.798 -2.171 457 HA GLU 61 HA GLU 61 -16.222 -9.718 -4.685 458 HB2 GLU 61 1HB GLU 61 -17.357 -8.938 -1.971 459 HB3 GLU 61 2HB GLU 61 -18.342 -8.975 -3.420 460 HG2 GLU 61 1HG GLU 61 -16.895 -11.437 -3.399 461 HG3 GLU 61 2HG GLU 61 -17.453 -11.197 -1.755 462 H ARG 62 H ARG 62 -14.688 -7.205 -2.884 463 HA ARG 62 HA ARG 62 -16.087 -5.194 -4.441 464 HB2 ARG 62 1HB ARG 62 -15.268 -3.562 -2.822 465 HB3 ARG 62 2HB ARG 62 -15.945 -4.908 -1.927 466 HG2 ARG 62 1HG ARG 62 -13.776 -5.788 -1.383 467 HG3 ARG 62 2HG ARG 62 -12.981 -4.814 -2.603 468 HD2 ARG 62 1HD ARG 62 -12.491 -3.478 -0.782 469 HD3 ARG 62 2HD ARG 62 -14.065 -2.800 -1.144 470 HE ARG 62 HE ARG 62 -14.393 -5.083 0.574 471 HH11 ARG 62 2HH2 ARG 62 -13.255 -1.753 0.640 472 HH12 ARG 62 1HH2 ARG 62 -13.611 -1.531 2.321 473 HH21 ARG 62 2HH1 ARG 62 -14.863 -4.789 2.791 474 HH22 ARG 62 1HH1 ARG 62 -14.532 -3.269 3.553 475 H TYR 63 H TYR 63 -12.993 -6.817 -3.874 476 HA TYR 63 HA TYR 63 -11.849 -5.263 -6.078 477 HB2 TYR 63 1HB TYR 63 -10.705 -5.990 -3.314 478 HB3 TYR 63 2HB TYR 63 -9.673 -5.463 -4.628 479 HD1 TYR 63 2HD TYR 63 -11.240 -3.269 -5.836 480 HD2 TYR 63 1HD TYR 63 -10.641 -4.282 -1.723 481 HE1 TYR 63 2HE TYR 63 -11.641 -0.847 -5.174 482 HE2 TYR 63 1HE TYR 63 -11.045 -1.857 -1.074 483 HH TYR 63 HH TYR 63 -12.454 0.119 -2.286 484 H LYS 64 H LYS 64 -12.615 -7.285 -7.219 485 HA LYS 64 HA LYS 64 -10.757 -9.500 -6.705 486 HB2 LYS 64 1HB LYS 64 -12.416 -10.965 -7.709 487 HB3 LYS 64 2HB LYS 64 -13.110 -10.086 -6.361 488 HG2 LYS 64 1HG LYS 64 -13.905 -8.350 -8.153 489 HG3 LYS 64 2HG LYS 64 -13.535 -9.594 -9.332 490 HD2 LYS 64 1HD LYS 64 -15.422 -10.759 -8.829 491 HD3 LYS 64 2HD LYS 64 -15.072 -10.724 -7.113 492 HE2 LYS 64 1HE LYS 64 -15.819 -8.110 -7.493 493 HE3 LYS 64 2HE LYS 64 -16.778 -8.881 -8.741 494 HZ1 LYS 64 1HZ LYS 64 -16.905 -10.381 -6.380 495 HZ2 LYS 64 2HZ LYS 64 -17.296 -8.830 -6.053 496 HZ3 LYS 64 3HZ LYS 64 -18.119 -9.655 -7.197 497 H PHE 65 H PHE 65 -11.670 -6.920 -8.831 498 HA PHE 65 HA PHE 65 -9.813 -8.005 -10.815 499 HB2 PHE 65 1HB PHE 65 -11.461 -6.835 -12.490 500 HB3 PHE 65 2HB PHE 65 -11.997 -8.353 -11.797 501 HD1 PHE 65 2HD PHE 65 -12.172 -4.687 -11.109 502 HD2 PHE 65 1HD PHE 65 -14.114 -8.453 -10.880 503 HE1 PHE 65 2HE PHE 65 -14.249 -3.564 -10.258 504 HE2 PHE 65 1HE PHE 65 -16.192 -7.330 -10.029 505 HZ PHE 65 HZ PHE 65 -16.234 -4.899 -9.728 506 H ASP 66 H ASP 66 -10.130 -5.784 -8.513 507 HA ASP 66 HA ASP 66 -9.084 -3.656 -10.211 508 HB2 ASP 66 1HB ASP 66 -10.087 -3.027 -7.456 509 HB3 ASP 66 2HB ASP 66 -10.166 -2.055 -8.912 510 H ILE 67 H ILE 67 -7.663 -5.987 -8.968 511 HA ILE 67 HA ILE 67 -6.100 -4.596 -6.909 512 HB ILE 67 HB ILE 67 -5.346 -7.212 -6.777 513 HG12 ILE 67 1HG1 ILE 67 -8.277 -7.151 -7.538 514 HG13 ILE 67 2HG1 ILE 67 -6.982 -7.992 -8.367 515 HG21 ILE 67 1HG2 ILE 67 -6.161 -7.107 -4.660 516 HG22 ILE 67 2HG2 ILE 67 -6.274 -5.379 -5.074 517 HG23 ILE 67 3HG2 ILE 67 -7.720 -6.414 -5.168 518 HD11 ILE 67 1HD1 ILE 67 -6.821 -9.660 -6.743 519 HD12 ILE 67 2HD1 ILE 67 -7.413 -8.597 -5.444 520 HD13 ILE 67 3HD1 ILE 67 -8.554 -9.272 -6.632 521 HA PRO 68 HA PRO 68 -4.314 -5.690 -6.013 522 HB2 PRO 68 1HB PRO 68 -1.894 -4.594 -5.374 523 HB3 PRO 68 2HB PRO 68 -2.117 -6.301 -5.700 524 HG2 PRO 68 1HG PRO 68 -0.900 -4.230 -7.422 525 HG3 PRO 68 2HG PRO 68 -0.755 -5.973 -7.532 526 HD2 PRO 68 1HD PRO 68 -2.375 -4.277 -9.184 527 HD3 PRO 68 2HD PRO 68 -2.318 -6.028 -9.217 528 H VAL 69 H VAL 69 -4.851 -4.360 -4.255 529 HA VAL 69 HA VAL 69 -5.224 -1.596 -5.170 530 HB VAL 69 HB VAL 69 -6.714 -3.305 -3.173 531 HG11 VAL 69 1HG1 VAL 69 -7.034 -0.352 -3.801 532 HG12 VAL 69 2HG1 VAL 69 -8.220 -1.328 -2.902 533 HG13 VAL 69 3HG1 VAL 69 -6.586 -1.082 -2.240 534 HG21 VAL 69 1HG2 VAL 69 -8.607 -3.024 -4.676 535 HG22 VAL 69 2HG2 VAL 69 -7.638 -1.982 -5.746 536 HG23 VAL 69 3HG2 VAL 69 -7.223 -3.703 -5.565 537 H PHE 70 H PHE 70 -4.819 0.139 -3.627 538 HA PHE 70 HA PHE 70 -3.174 -0.664 -1.352 539 HB2 PHE 70 1HB PHE 70 -2.561 1.399 -3.553 540 HB3 PHE 70 2HB PHE 70 -1.619 1.260 -2.081 541 HD1 PHE 70 2HD PHE 70 -2.406 -0.301 -5.295 542 HD2 PHE 70 1HD PHE 70 -0.095 -0.599 -1.748 543 HE1 PHE 70 2HE PHE 70 -0.948 -2.026 -6.389 544 HE2 PHE 70 1HE PHE 70 1.363 -2.324 -2.843 545 HZ PHE 70 HZ PHE 70 0.919 -3.017 -5.151 546 H HIS 71 H HIS 71 -3.840 0.360 0.476 547 HA HIS 71 HA HIS 71 -5.321 2.859 0.087 548 HB2 HIS 71 1HB HIS 71 -5.682 0.813 2.293 549 HB3 HIS 71 2HB HIS 71 -6.603 2.289 2.085 550 HD1 HIS 71 1HD HIS 71 -8.243 -0.204 2.160 551 HD2 HIS 71 2HD HIS 71 -6.556 1.230 -1.402 552 HE1 HIS 71 1HE HIS 71 -9.619 -1.211 0.262 553 H LEU 72 H LEU 72 -4.258 4.630 0.806 554 HA LEU 72 HA LEU 72 -2.180 4.190 2.825 555 HB2 LEU 72 1HB LEU 72 -2.147 5.490 0.352 556 HB3 LEU 72 2HB LEU 72 -2.174 6.784 1.533 557 HG LEU 72 HG LEU 72 -0.096 4.650 1.110 558 HD11 LEU 72 1HD1 LEU 72 0.745 7.380 1.738 559 HD12 LEU 72 2HD1 LEU 72 1.194 6.318 0.381 560 HD13 LEU 72 3HD1 LEU 72 -0.301 7.280 0.301 561 HD21 LEU 72 1HD2 LEU 72 0.961 5.675 3.260 562 HD22 LEU 72 2HD2 LEU 72 -0.722 6.084 3.673 563 HD23 LEU 72 3HD2 LEU 72 -0.260 4.387 3.399 564 H ASN 73 H ASN 73 -2.846 4.580 4.865 565 HA ASN 73 HA ASN 73 -3.610 5.701 6.572 566 HB2 ASN 73 1HB ASN 73 -3.427 7.781 4.609 567 HB3 ASN 73 2HB ASN 73 -5.001 7.970 5.355 568 HD21 ASN 73 1HD2 ASN 73 -1.553 7.956 5.823 569 HD22 ASN 73 2HD2 ASN 73 -1.506 8.688 7.392 570 H GLY 74 H GLY 74 -5.172 3.816 4.824 571 HA2 GLY 74 1HA GLY 74 -7.230 2.891 4.891 572 HA3 GLY 74 2HA GLY 74 -7.728 4.108 6.049 573 H GLN 75 H GLN 75 -6.390 4.625 2.729 574 HA GLN 75 HA GLN 75 -9.006 5.286 1.768 575 HB2 GLN 75 1HB GLN 75 -7.100 7.346 2.639 576 HB3 GLN 75 2HB GLN 75 -7.540 7.545 0.955 577 HG2 GLN 75 1HG GLN 75 -9.960 7.463 1.570 578 HG3 GLN 75 2HG GLN 75 -9.531 7.240 3.254 579 HE21 GLN 75 1HE2 GLN 75 -11.045 9.232 3.059 580 HE22 GLN 75 2HE2 GLN 75 -10.263 10.778 3.042 581 H PHE 76 H PHE 76 -9.126 4.419 -0.255 582 HA PHE 76 HA PHE 76 -7.210 3.096 -1.541 583 HB2 PHE 76 1HB PHE 76 -9.362 3.006 -2.527 584 HB3 PHE 76 2HB PHE 76 -9.635 4.723 -2.308 585 HD1 PHE 76 2HD PHE 76 -7.151 2.655 -4.196 586 HD2 PHE 76 1HD PHE 76 -9.953 5.841 -4.286 587 HE1 PHE 76 2HE PHE 76 -6.627 3.048 -6.619 588 HE2 PHE 76 1HE PHE 76 -9.429 6.233 -6.709 589 HZ PHE 76 HZ PHE 76 -7.772 4.832 -7.846 590 H LEU 77 H LEU 77 -5.105 3.783 -1.783 591 HA LEU 77 HA LEU 77 -4.599 6.493 -2.627 592 HB2 LEU 77 1HB LEU 77 -2.813 6.142 -1.395 593 HB3 LEU 77 2HB LEU 77 -3.215 4.446 -1.214 594 HG LEU 77 HG LEU 77 -2.097 4.174 -3.558 595 HD11 LEU 77 1HD1 LEU 77 -0.181 5.823 -3.809 596 HD12 LEU 77 2HD1 LEU 77 -1.805 6.413 -4.239 597 HD13 LEU 77 3HD1 LEU 77 -1.072 6.878 -2.685 598 HD21 LEU 77 1HD2 LEU 77 -1.081 4.155 -0.846 599 HD22 LEU 77 2HD2 LEU 77 -0.751 3.046 -2.198 600 HD23 LEU 77 3HD2 LEU 77 0.207 4.534 -2.014 601 H MET 78 H MET 78 -4.376 3.142 -3.933 602 HA MET 78 HA MET 78 -4.888 3.998 -6.512 603 HB2 MET 78 1HB MET 78 -2.705 3.805 -7.581 604 HB3 MET 78 2HB MET 78 -2.490 4.881 -6.215 605 HG2 MET 78 1HG MET 78 -1.847 2.707 -4.879 606 HG3 MET 78 2HG MET 78 -1.662 1.965 -6.456 607 HE1 MET 78 1HE MET 78 0.517 1.661 -4.939 608 HE2 MET 78 2HE MET 78 1.947 2.687 -5.204 609 HE3 MET 78 3HE MET 78 0.779 3.101 -3.927 610 H MET 79 H MET 79 -5.073 2.190 -8.006 611 HA MET 79 HA MET 79 -4.359 -0.385 -6.914 612 HB2 MET 79 1HB MET 79 -6.687 -1.248 -7.341 613 HB3 MET 79 2HB MET 79 -6.679 0.004 -6.114 614 HG2 MET 79 1HG MET 79 -7.384 1.696 -7.779 615 HG3 MET 79 2HG MET 79 -7.281 0.514 -9.068 616 HE1 MET 79 1HE MET 79 -10.122 2.248 -8.128 617 HE2 MET 79 2HE MET 79 -10.820 1.512 -6.665 618 HE3 MET 79 3HE MET 79 -9.201 2.248 -6.605 619 H HIS 80 H HIS 80 -4.543 -2.157 -8.573 620 HA HIS 80 HA HIS 80 -4.601 -2.945 -10.664 621 HB2 HIS 80 1HB HIS 80 -4.747 -0.165 -11.826 622 HB3 HIS 80 2HB HIS 80 -5.207 -1.684 -12.569 623 HD1 HIS 80 1HD HIS 80 -7.204 0.685 -12.414 624 HD2 HIS 80 2HD HIS 80 -6.996 -2.415 -9.596 625 HE1 HIS 80 1HE HIS 80 -9.487 0.597 -11.278 626 H ARG 81 H ARG 81 -2.401 -1.364 -8.965 627 HA ARG 81 HA ARG 81 -0.240 -2.363 -10.111 628 HB2 ARG 81 1HB ARG 81 -1.148 -0.014 -11.658 629 HB3 ARG 81 2HB ARG 81 0.499 0.176 -11.092 630 HG2 ARG 81 1HG ARG 81 -0.142 -2.513 -12.225 631 HG3 ARG 81 2HG ARG 81 -0.204 -1.192 -13.375 632 HD2 ARG 81 1HD ARG 81 2.065 -1.027 -13.429 633 HD3 ARG 81 2HD ARG 81 2.161 -0.919 -11.682 634 HE ARG 81 HE ARG 81 2.737 -3.179 -11.617 635 HH11 ARG 81 2HH2 ARG 81 1.093 -2.523 -14.659 636 HH12 ARG 81 1HH2 ARG 81 1.352 -4.116 -15.289 637 HH21 ARG 81 2HH1 ARG 81 3.079 -5.280 -12.449 638 HH22 ARG 81 1HH1 ARG 81 2.489 -5.694 -14.024 639 H VAL 82 H VAL 82 1.796 -0.445 -9.762 640 HA VAL 82 HA VAL 82 1.175 0.751 -7.157 641 HB VAL 82 HB VAL 82 3.715 -0.733 -7.847 642 HG11 VAL 82 1HG1 VAL 82 2.809 0.919 -5.567 643 HG12 VAL 82 2HG1 VAL 82 3.568 -0.629 -5.125 644 HG13 VAL 82 3HG1 VAL 82 4.453 0.541 -6.134 645 HG21 VAL 82 1HG2 VAL 82 2.414 -2.573 -7.621 646 HG22 VAL 82 2HG2 VAL 82 2.577 -2.223 -5.884 647 HG23 VAL 82 3HG2 VAL 82 1.126 -1.691 -6.766 648 H ASN 83 H ASN 83 0.889 2.770 -8.293 649 HA ASN 83 HA ASN 83 2.953 3.716 -9.961 650 HB2 ASN 83 1HB ASN 83 0.352 4.698 -8.884 651 HB3 ASN 83 2HB ASN 83 1.526 5.973 -9.142 652 HD21 ASN 83 1HD2 ASN 83 2.446 6.274 -11.213 653 HD22 ASN 83 2HD2 ASN 83 1.633 5.766 -12.655 654 H THR 84 H THR 84 4.807 3.374 -8.400 655 HA THR 84 HA THR 84 5.120 4.293 -5.903 656 HB THR 84 HB THR 84 7.559 4.811 -6.785 657 HG1 THR 84 1HG THR 84 7.286 5.050 -8.993 658 HG21 THR 84 1HG2 THR 84 6.146 2.136 -7.248 659 HG22 THR 84 2HG2 THR 84 7.905 2.351 -7.419 660 HG23 THR 84 3HG2 THR 84 7.128 2.600 -5.838 661 H SER 85 H SER 85 5.553 6.359 -8.851 662 HA SER 85 HA SER 85 6.285 8.641 -7.740 663 HB2 SER 85 1HB SER 85 4.366 8.028 -9.985 664 HB3 SER 85 2HB SER 85 4.563 9.699 -9.496 665 HG SER 85 HG SER 85 6.239 9.620 -10.845 666 H LYS 86 H LYS 86 2.842 7.495 -7.980 667 HA LYS 86 HA LYS 86 1.745 9.675 -6.621 668 HB2 LYS 86 1HB LYS 86 0.777 7.530 -8.010 669 HB3 LYS 86 2HB LYS 86 0.369 7.069 -6.370 670 HG2 LYS 86 1HG LYS 86 -1.227 8.695 -6.181 671 HG3 LYS 86 2HG LYS 86 -0.197 9.918 -6.898 672 HD2 LYS 86 1HD LYS 86 -1.822 9.749 -8.558 673 HD3 LYS 86 2HD LYS 86 -0.667 8.573 -9.153 674 HE2 LYS 86 1HE LYS 86 -2.339 7.183 -7.288 675 HE3 LYS 86 2HE LYS 86 -3.410 8.149 -8.283 676 HZ1 LYS 86 1HZ LYS 86 -1.655 5.990 -9.064 677 HZ2 LYS 86 2HZ LYS 86 -3.156 6.356 -9.595 678 HZ3 LYS 86 3HZ LYS 86 -1.867 7.195 -10.146 679 H LEU 87 H LEU 87 2.381 6.302 -5.409 680 HA LEU 87 HA LEU 87 1.768 6.615 -2.823 681 HB2 LEU 87 1HB LEU 87 2.412 4.505 -3.431 682 HB3 LEU 87 2HB LEU 87 3.857 5.050 -4.259 683 HG LEU 87 HG LEU 87 4.883 5.554 -2.027 684 HD11 LEU 87 1HD1 LEU 87 2.648 5.741 -0.849 685 HD12 LEU 87 2HD1 LEU 87 2.604 3.961 -0.844 686 HD13 LEU 87 3HD1 LEU 87 3.913 4.822 0.001 687 HD21 LEU 87 1HD2 LEU 87 5.214 3.423 -3.355 688 HD22 LEU 87 2HD2 LEU 87 5.564 3.328 -1.612 689 HD23 LEU 87 3HD2 LEU 87 4.043 2.660 -2.252 690 H GLU 88 H GLU 88 5.176 7.110 -3.992 691 HA GLU 88 HA GLU 88 6.190 8.184 -1.778 692 HB2 GLU 88 1HB GLU 88 6.787 9.335 -4.532 693 HB3 GLU 88 2HB GLU 88 7.881 9.219 -3.168 694 HG2 GLU 88 1HG GLU 88 7.029 6.567 -3.536 695 HG3 GLU 88 2HG GLU 88 7.169 7.175 -5.174 696 H LYS 89 H LYS 89 4.540 10.069 -4.414 697 HA LYS 89 HA LYS 89 4.753 12.568 -3.425 698 HB2 LYS 89 1HB LYS 89 3.554 11.589 -5.538 699 HB3 LYS 89 2HB LYS 89 2.120 11.625 -4.532 700 HG2 LYS 89 1HG LYS 89 3.921 14.064 -4.799 701 HG3 LYS 89 2HG LYS 89 2.657 13.736 -5.968 702 HD2 LYS 89 1HD LYS 89 1.456 13.414 -3.393 703 HD3 LYS 89 2HD LYS 89 2.423 14.873 -3.297 704 HE2 LYS 89 1HE LYS 89 1.034 14.845 -5.847 705 HE3 LYS 89 2HE LYS 89 -0.127 14.531 -4.571 706 HZ1 LYS 89 1HZ LYS 89 1.673 16.586 -3.853 707 HZ2 LYS 89 2HZ LYS 89 0.897 16.946 -5.244 708 HZ3 LYS 89 3HZ LYS 89 0.041 16.610 -3.894 709 H GLN 90 H GLN 90 2.321 10.072 -2.446 710 HA GLN 90 HA GLN 90 1.060 11.754 -0.615 711 HB2 GLN 90 1HB GLN 90 1.187 8.717 -0.827 712 HB3 GLN 90 2HB GLN 90 0.146 9.557 0.305 713 HG2 GLN 90 1HG GLN 90 0.088 9.865 -2.735 714 HG3 GLN 90 2HG GLN 90 -1.080 8.978 -1.775 715 HE21 GLN 90 1HE2 GLN 90 0.108 12.081 -2.754 716 HE22 GLN 90 2HE2 GLN 90 -1.166 13.063 -2.113 717 H LEU 91 H LEU 91 3.536 9.127 -0.200 718 HA LEU 91 HA LEU 91 3.844 9.042 2.442 719 HB2 LEU 91 1HB LEU 91 5.838 8.999 0.207 720 HB3 LEU 91 2HB LEU 91 6.389 8.897 1.868 721 HG LEU 91 HG LEU 91 4.353 7.005 0.664 722 HD11 LEU 91 1HD1 LEU 91 6.857 5.723 1.138 723 HD12 LEU 91 2HD1 LEU 91 5.970 5.921 -0.392 724 HD13 LEU 91 3HD1 LEU 91 7.143 7.157 0.123 725 HD21 LEU 91 1HD2 LEU 91 5.827 5.890 2.835 726 HD22 LEU 91 2HD2 LEU 91 5.205 7.479 3.339 727 HD23 LEU 91 3HD2 LEU 91 4.085 6.239 2.725 728 H ARG 92 H ARG 92 5.574 11.481 0.370 729 HA ARG 92 HA ARG 92 6.797 12.884 2.236 730 HB2 ARG 92 1HB ARG 92 5.278 13.824 -0.228 731 HB3 ARG 92 2HB ARG 92 6.151 14.977 0.762 732 HG2 ARG 92 1HG ARG 92 8.261 13.967 0.309 733 HG3 ARG 92 2HG ARG 92 7.537 12.453 -0.196 734 HD2 ARG 92 1HD ARG 92 6.566 13.612 -2.212 735 HD3 ARG 92 2HD ARG 92 7.344 15.101 -1.714 736 HE ARG 92 HE ARG 92 8.625 12.833 -3.002 737 HH11 ARG 92 2HH2 ARG 92 9.189 15.489 -0.763 738 HH12 ARG 92 1HH2 ARG 92 10.891 15.563 -1.080 739 HH21 ARG 92 2HH1 ARG 92 10.870 12.930 -3.419 740 HH22 ARG 92 1HH1 ARG 92 11.853 14.097 -2.601 741 H LYS 93 H LYS 93 3.429 13.709 1.096 742 HA LYS 93 HA LYS 93 3.027 15.118 3.623 743 HB2 LYS 93 1HB LYS 93 1.870 15.332 0.872 744 HB3 LYS 93 2HB LYS 93 0.860 15.787 2.229 745 HG2 LYS 93 1HG LYS 93 3.554 16.876 2.564 746 HG3 LYS 93 2HG LYS 93 2.901 17.344 1.006 747 HD2 LYS 93 1HD LYS 93 1.889 19.021 2.195 748 HD3 LYS 93 2HD LYS 93 0.703 17.790 2.581 749 HE2 LYS 93 1HE LYS 93 1.766 17.299 4.708 750 HE3 LYS 93 2HE LYS 93 3.188 18.234 4.292 751 HZ1 LYS 93 1HZ LYS 93 0.489 19.271 4.790 752 HZ2 LYS 93 2HZ LYS 93 1.834 19.542 5.674 753 HZ3 LYS 93 3HZ LYS 93 1.696 20.187 4.180 754 H LEU 94 H LEU 94 2.697 13.378 5.055 755 HA LEU 94 HA LEU 94 0.052 12.328 4.986 756 HB2 LEU 94 1HB LEU 94 1.565 10.869 3.423 757 HB3 LEU 94 2HB LEU 94 2.170 10.213 4.931 758 HG LEU 94 HG LEU 94 -0.114 9.536 5.567 759 HD11 LEU 94 1HD1 LEU 94 -1.438 9.715 3.041 760 HD12 LEU 94 2HD1 LEU 94 -1.916 10.400 4.612 761 HD13 LEU 94 3HD1 LEU 94 -0.880 11.339 3.511 762 HD21 LEU 94 1HD2 LEU 94 1.377 8.500 3.265 763 HD22 LEU 94 2HD2 LEU 94 0.705 7.655 4.680 764 HD23 LEU 94 3HD2 LEU 94 -0.338 8.023 3.285 765 H SER 95 H SER 95 3.313 11.438 6.333 766 HA SER 95 HA SER 95 4.050 11.324 8.370 767 HB2 SER 95 1HB SER 95 2.252 13.647 8.434 768 HB3 SER 95 2HB SER 95 2.382 12.895 10.012 769 HG SER 95 HG SER 95 4.186 14.063 10.132 770 H GLY 96 H GLY 96 3.680 10.248 10.471 771 HA2 GLY 96 1HA GLY 96 1.953 8.117 10.409 772 HA3 GLY 96 2HA GLY 96 2.661 8.801 11.859 773 HA PRO 97 HA PRO 97 -1.871 9.459 11.991 774 HB2 PRO 97 1HB PRO 97 -2.476 7.864 14.125 775 HB3 PRO 97 2HB PRO 97 -2.637 7.339 12.461 776 HG2 PRO 97 1HG PRO 97 -0.561 6.619 14.438 777 HG3 PRO 97 2HG PRO 97 -0.986 5.804 12.946 778 HD2 PRO 97 1HD PRO 97 1.289 7.494 13.392 779 HD3 PRO 97 2HD PRO 97 0.801 6.773 11.871 780 H SER 98 H SER 98 -0.316 11.424 12.559 781 HA SER 98 HA SER 98 -1.398 12.265 15.072 782 HB2 SER 98 1HB SER 98 1.616 12.160 14.612 783 HB3 SER 98 2HB SER 98 0.848 13.000 15.943 784 HG SER 98 HG SER 98 1.299 11.037 16.832 785 H SER 99 H SER 99 -2.535 13.626 13.437 786 HA SER 99 HA SER 99 -0.937 15.964 12.885 787 HB2 SER 99 1HB SER 99 -1.611 14.089 10.846 788 HB3 SER 99 2HB SER 99 -2.679 15.458 10.607 789 HG SER 99 HG SER 99 0.054 16.049 11.127 790 H GLY 100 H GLY 100 -4.203 14.450 12.306 791 HA2 GLY 100 1HA GLY 100 -5.532 16.972 12.820 792 HA3 GLY 100 2HA GLY 100 -6.262 15.442 12.379 Start of MODEL 12 1 H1 GLY 1 H GLY 1 37.351 38.595 23.283 2 HA2 GLY 1 1HA GLY 1 35.651 37.030 23.532 3 HA3 GLY 1 2HA GLY 1 34.785 38.552 23.458 4 H SER 2 H SER 2 34.384 35.553 22.460 5 HA SER 2 HA SER 2 32.665 36.190 20.419 6 HB2 SER 2 1HB SER 2 34.384 36.648 18.872 7 HB3 SER 2 2HB SER 2 35.442 35.411 19.520 8 HG SER 2 HG SER 2 33.489 35.219 17.545 9 H SER 3 H SER 3 31.171 34.608 20.836 10 HA SER 3 HA SER 3 31.967 31.895 20.656 11 HB2 SER 3 1HB SER 3 32.590 32.246 22.992 12 HB3 SER 3 2HB SER 3 31.052 33.011 23.341 13 HG SER 3 HG SER 3 31.608 30.241 22.807 14 H GLY 4 H GLY 4 30.150 30.548 20.189 15 HA2 GLY 4 1HA GLY 4 27.627 30.515 20.661 16 HA3 GLY 4 2HA GLY 4 27.639 32.037 19.792 17 H SER 5 H SER 5 26.538 29.181 19.216 18 HA SER 5 HA SER 5 26.979 29.312 16.461 19 HB2 SER 5 1HB SER 5 28.518 27.225 18.025 20 HB3 SER 5 2HB SER 5 27.961 26.859 16.404 21 HG SER 5 HG SER 5 29.476 28.131 15.568 22 H SER 6 H SER 6 24.980 28.730 15.703 23 HA SER 6 HA SER 6 23.755 26.391 16.876 24 HB2 SER 6 1HB SER 6 22.450 29.138 16.727 25 HB3 SER 6 2HB SER 6 21.519 27.664 16.904 26 HG SER 6 HG SER 6 23.466 27.532 18.753 27 H GLY 7 H GLY 7 22.176 25.374 15.429 28 HA2 GLY 7 1HA GLY 7 21.740 26.566 12.820 29 HA3 GLY 7 2HA GLY 7 22.787 25.160 12.829 30 H ASN 8 H ASN 8 20.897 24.343 11.427 31 HA ASN 8 HA ASN 8 19.499 22.472 12.868 32 HB2 ASN 8 1HB ASN 8 18.101 24.377 13.665 33 HB3 ASN 8 2HB ASN 8 17.808 24.880 12.012 34 HD21 ASN 8 1HD2 ASN 8 15.593 24.679 12.283 35 HD22 ASN 8 2HD2 ASN 8 14.778 23.151 12.306 36 H LEU 9 H LEU 9 18.529 20.967 11.356 37 HA LEU 9 HA LEU 9 17.876 21.747 8.712 38 HB2 LEU 9 1HB LEU 9 20.610 21.234 9.189 39 HB3 LEU 9 2HB LEU 9 19.986 19.828 8.349 40 HG LEU 9 HG LEU 9 19.041 22.262 7.086 41 HD11 LEU 9 1HD1 LEU 9 22.018 22.009 7.538 42 HD12 LEU 9 2HD1 LEU 9 21.317 22.919 6.178 43 HD13 LEU 9 3HD1 LEU 9 20.960 23.406 7.853 44 HD21 LEU 9 1HD2 LEU 9 19.315 21.045 5.220 45 HD22 LEU 9 2HD2 LEU 9 20.960 20.532 5.667 46 HD23 LEU 9 3HD2 LEU 9 19.548 19.690 6.350 47 H SER 10 H SER 10 17.350 19.687 7.372 48 HA SER 10 HA SER 10 16.141 17.894 7.195 49 HB2 SER 10 1HB SER 10 18.026 17.125 9.413 50 HB3 SER 10 2HB SER 10 16.696 16.039 9.063 51 HG SER 10 HG SER 10 18.916 16.779 7.418 52 H ALA 11 H ALA 11 14.414 16.424 8.343 53 HA ALA 11 HA ALA 11 13.213 17.951 10.551 54 HB1 ALA 11 1HB ALA 11 11.787 16.591 8.228 55 HB2 ALA 11 2HB ALA 11 11.023 17.504 9.551 56 HB3 ALA 11 3HB ALA 11 12.063 18.343 8.375 57 H SER 12 H SER 12 11.836 16.635 12.000 58 HA SER 12 HA SER 12 12.880 13.922 12.085 59 HB2 SER 12 1HB SER 12 12.135 14.012 14.513 60 HB3 SER 12 2HB SER 12 13.421 15.126 14.093 61 HG SER 12 HG SER 12 12.036 16.860 14.206 62 H ASN 13 H ASN 13 11.492 12.231 11.675 63 HA ASN 13 HA ASN 13 8.669 12.921 11.575 64 HB2 ASN 13 1HB ASN 13 10.317 10.738 10.210 65 HB3 ASN 13 2HB ASN 13 8.565 10.716 10.196 66 HD21 ASN 13 1HD2 ASN 13 10.476 10.982 8.012 67 HD22 ASN 13 2HD2 ASN 13 10.109 12.454 7.176 68 H ARG 14 H ARG 14 7.156 11.025 12.233 69 HA ARG 14 HA ARG 14 8.334 9.024 13.867 70 HB2 ARG 14 1HB ARG 14 6.869 11.388 15.067 71 HB3 ARG 14 2HB ARG 14 6.671 9.817 15.818 72 HG2 ARG 14 1HG ARG 14 9.380 9.814 15.553 73 HG3 ARG 14 2HG ARG 14 9.121 11.545 15.639 74 HD2 ARG 14 1HD ARG 14 8.973 11.352 17.898 75 HD3 ARG 14 2HD ARG 14 7.470 10.476 17.683 76 HE ARG 14 HE ARG 14 9.470 8.567 17.242 77 HH11 ARG 14 2HH2 ARG 14 8.575 10.717 19.880 78 HH12 ARG 14 1HH2 ARG 14 9.183 9.665 21.114 79 HH21 ARG 14 2HH1 ARG 14 10.272 7.178 18.870 80 HH22 ARG 14 1HH1 ARG 14 10.154 7.638 20.536 81 H ALA 15 H ALA 15 6.962 7.210 13.946 82 HA ALA 15 HA ALA 15 5.187 5.933 13.592 83 HB1 ALA 15 1HB ALA 15 4.074 7.706 15.056 84 HB2 ALA 15 2HB ALA 15 3.474 8.441 13.550 85 HB3 ALA 15 3HB ALA 15 2.987 6.786 13.987 86 H LEU 16 H LEU 16 4.857 4.912 11.681 87 HA LEU 16 HA LEU 16 4.797 6.598 9.292 88 HB2 LEU 16 1HB LEU 16 5.271 3.625 9.474 89 HB3 LEU 16 2HB LEU 16 5.518 4.664 8.085 90 HG LEU 16 HG LEU 16 7.092 4.835 10.670 91 HD11 LEU 16 1HD1 LEU 16 8.685 4.038 8.435 92 HD12 LEU 16 2HD1 LEU 16 8.368 3.171 9.957 93 HD13 LEU 16 3HD1 LEU 16 7.287 2.943 8.561 94 HD21 LEU 16 1HD2 LEU 16 7.902 6.765 9.943 95 HD22 LEU 16 2HD2 LEU 16 8.404 6.012 8.411 96 HD23 LEU 16 3HD2 LEU 16 6.773 6.707 8.568 97 HA PRO 17 HA PRO 17 0.684 5.544 8.526 98 HB2 PRO 17 1HB PRO 17 0.544 5.615 5.797 99 HB3 PRO 17 2HB PRO 17 0.525 7.055 6.796 100 HG2 PRO 17 1HG PRO 17 2.727 5.973 5.147 101 HG3 PRO 17 2HG PRO 17 2.534 7.589 5.796 102 HD2 PRO 17 1HD PRO 17 4.265 5.533 6.797 103 HD3 PRO 17 2HD PRO 17 3.985 7.108 7.513 104 H VAL 18 H VAL 18 -0.922 4.024 7.623 105 HA VAL 18 HA VAL 18 0.440 1.442 7.339 106 HB VAL 18 HB VAL 18 -2.326 2.182 8.308 107 HG11 VAL 18 1HG1 VAL 18 -2.678 -0.190 8.750 108 HG12 VAL 18 2HG1 VAL 18 -2.354 0.070 7.019 109 HG13 VAL 18 3HG1 VAL 18 -1.077 -0.578 8.077 110 HG21 VAL 18 1HG2 VAL 18 -0.999 2.608 10.132 111 HG22 VAL 18 2HG2 VAL 18 -1.281 0.865 10.366 112 HG23 VAL 18 3HG2 VAL 18 0.245 1.432 9.645 113 H LEU 19 H LEU 19 0.603 0.741 5.277 114 HA LEU 19 HA LEU 19 -1.420 1.679 3.384 115 HB2 LEU 19 1HB LEU 19 0.893 2.182 2.848 116 HB3 LEU 19 2HB LEU 19 1.327 0.489 2.976 117 HG LEU 19 HG LEU 19 -0.587 0.283 1.092 118 HD11 LEU 19 1HD1 LEU 19 0.680 2.918 0.359 119 HD12 LEU 19 2HD1 LEU 19 -0.714 2.094 -0.381 120 HD13 LEU 19 3HD1 LEU 19 -0.869 2.830 1.233 121 HD21 LEU 19 1HD2 LEU 19 1.125 -0.498 -0.091 122 HD22 LEU 19 2HD2 LEU 19 1.886 1.109 -0.187 123 HD23 LEU 19 3HD2 LEU 19 2.188 0.063 1.222 124 H THR 20 H THR 20 -3.133 0.359 3.113 125 HA THR 20 HA THR 20 -2.932 -2.420 3.827 126 HB THR 20 HB THR 20 -5.295 -1.160 2.415 127 HG1 THR 20 1HG THR 20 -4.437 -0.778 5.194 128 HG21 THR 20 1HG2 THR 20 -5.825 -3.324 3.262 129 HG22 THR 20 2HG2 THR 20 -4.803 -3.105 4.702 130 HG23 THR 20 3HG2 THR 20 -6.356 -2.245 4.574 131 H LEU 21 H LEU 21 -2.383 -4.084 2.571 132 HA LEU 21 HA LEU 21 -2.482 -3.607 -0.327 133 HB2 LEU 21 1HB LEU 21 -0.237 -3.710 0.044 134 HB3 LEU 21 2HB LEU 21 -0.386 -4.767 1.433 135 HG LEU 21 HG LEU 21 -0.828 -6.681 -0.025 136 HD11 LEU 21 1HD1 LEU 21 -0.156 -5.978 -2.583 137 HD12 LEU 21 2HD1 LEU 21 -1.814 -6.220 -1.982 138 HD13 LEU 21 3HD1 LEU 21 -1.127 -4.580 -2.060 139 HD21 LEU 21 1HD2 LEU 21 1.580 -5.650 -1.362 140 HD22 LEU 21 2HD2 LEU 21 1.585 -5.468 0.409 141 HD23 LEU 21 3HD2 LEU 21 1.357 -7.076 -0.320 142 H PHE 22 H PHE 22 -3.897 -4.864 -1.410 143 HA PHE 22 HA PHE 22 -4.788 -7.298 -0.034 144 HB2 PHE 22 1HB PHE 22 -6.065 -5.356 -2.045 145 HB3 PHE 22 2HB PHE 22 -6.818 -6.882 -1.625 146 HD1 PHE 22 2HD PHE 22 -7.463 -7.275 0.803 147 HD2 PHE 22 1HD PHE 22 -6.358 -3.458 -0.688 148 HE1 PHE 22 2HE PHE 22 -8.578 -6.184 2.769 149 HE2 PHE 22 1HE PHE 22 -7.473 -2.368 1.279 150 HZ PHE 22 HZ PHE 22 -8.570 -3.744 2.984 151 H THR 23 H THR 23 -3.639 -9.000 -0.874 152 HA THR 23 HA THR 23 -3.427 -9.100 -3.812 153 HB THR 23 HB THR 23 -1.205 -8.916 -2.929 154 HG1 THR 23 1HG THR 23 -1.858 -11.770 -2.871 155 HG21 THR 23 1HG2 THR 23 -1.502 -9.258 -0.541 156 HG22 THR 23 2HG2 THR 23 -2.181 -10.882 -0.800 157 HG23 THR 23 3HG2 THR 23 -0.454 -10.580 -1.106 158 H LYS 24 H LYS 24 -3.235 -11.447 -4.633 159 HA LYS 24 HA LYS 24 -4.574 -13.403 -3.042 160 HB2 LYS 24 1HB LYS 24 -6.538 -13.656 -4.512 161 HB3 LYS 24 2HB LYS 24 -6.535 -12.132 -3.648 162 HG2 LYS 24 1HG LYS 24 -5.873 -10.893 -5.598 163 HG3 LYS 24 2HG LYS 24 -5.372 -12.339 -6.452 164 HD2 LYS 24 1HD LYS 24 -8.076 -12.835 -5.832 165 HD3 LYS 24 2HD LYS 24 -8.050 -11.130 -6.239 166 HE2 LYS 24 1HE LYS 24 -6.440 -12.189 -8.234 167 HE3 LYS 24 2HE LYS 24 -7.579 -13.497 -7.981 168 HZ1 LYS 24 1HZ LYS 24 -8.181 -10.724 -8.700 169 HZ2 LYS 24 2HZ LYS 24 -8.550 -12.083 -9.527 170 HZ3 LYS 24 3HZ LYS 24 -9.334 -11.734 -8.138 171 H ALA 25 H ALA 25 -3.582 -15.278 -3.544 172 HA ALA 25 HA ALA 25 -2.077 -15.383 -6.017 173 HB1 ALA 25 1HB ALA 25 -1.113 -17.416 -5.003 174 HB2 ALA 25 2HB ALA 25 -1.042 -16.044 -3.872 175 HB3 ALA 25 3HB ALA 25 -2.279 -17.306 -3.663 176 HA PRO 26 HA PRO 26 -1.349 -16.620 -7.274 177 HB2 PRO 26 1HB PRO 26 -1.539 -16.793 -9.995 178 HB3 PRO 26 2HB PRO 26 -1.072 -18.142 -8.980 179 HG2 PRO 26 1HG PRO 26 -3.649 -17.654 -10.343 180 HG3 PRO 26 2HG PRO 26 -3.018 -19.154 -9.693 181 HD2 PRO 26 1HD PRO 26 -5.028 -17.483 -8.512 182 HD3 PRO 26 2HD PRO 26 -4.315 -18.920 -7.809 183 H CYS 27 H CYS 27 -0.258 -14.846 -8.484 184 HA CYS 27 HA CYS 27 -1.868 -12.881 -9.644 185 HB2 CYS 27 1HB CYS 27 -1.502 -11.119 -7.807 186 HB3 CYS 27 2HB CYS 27 -2.807 -12.268 -7.592 187 HG CYS 27 HG CYS 27 0.030 -13.408 -6.628 188 HA PRO 28 HA PRO 28 2.460 -12.503 -10.584 189 HB2 PRO 28 1HB PRO 28 2.150 -11.537 -13.122 190 HB3 PRO 28 2HB PRO 28 2.220 -13.248 -12.750 191 HG2 PRO 28 1HG PRO 28 -0.130 -11.600 -13.457 192 HG3 PRO 28 2HG PRO 28 0.040 -13.343 -13.499 193 HD2 PRO 28 1HD PRO 28 -1.342 -11.802 -11.515 194 HD3 PRO 28 2HD PRO 28 -1.072 -13.534 -11.496 195 H LEU 29 H LEU 29 -0.019 -10.132 -10.647 196 HA LEU 29 HA LEU 29 1.913 -7.989 -10.832 197 HB2 LEU 29 1HB LEU 29 -1.035 -7.751 -10.274 198 HB3 LEU 29 2HB LEU 29 0.052 -6.540 -10.924 199 HG LEU 29 HG LEU 29 -0.935 -9.037 -12.323 200 HD11 LEU 29 1HD1 LEU 29 -1.619 -6.999 -13.938 201 HD12 LEU 29 2HD1 LEU 29 -2.673 -7.630 -12.650 202 HD13 LEU 29 3HD1 LEU 29 -1.696 -6.170 -12.365 203 HD21 LEU 29 1HD2 LEU 29 0.305 -7.707 -14.291 204 HD22 LEU 29 2HD2 LEU 29 1.352 -7.241 -12.930 205 HD23 LEU 29 3HD2 LEU 29 1.101 -8.961 -13.310 206 H CYS 30 H CYS 30 -0.695 -8.890 -8.459 207 HA CYS 30 HA CYS 30 0.044 -7.291 -6.433 208 HB2 CYS 30 1HB CYS 30 -0.871 -10.164 -6.081 209 HB3 CYS 30 2HB CYS 30 -1.025 -8.866 -4.913 210 HG CYS 30 HG CYS 30 -2.045 -7.673 -7.576 211 H ASP 31 H ASP 31 1.543 -10.365 -7.523 212 HA ASP 31 HA ASP 31 3.169 -10.754 -5.325 213 HB2 ASP 31 1HB ASP 31 2.958 -12.556 -6.867 214 HB3 ASP 31 2HB ASP 31 3.312 -11.538 -8.249 215 H GLU 32 H GLU 32 3.643 -9.021 -8.479 216 HA GLU 32 HA GLU 32 6.302 -8.308 -7.901 217 HB2 GLU 32 1HB GLU 32 4.765 -8.358 -10.166 218 HB3 GLU 32 2HB GLU 32 4.739 -6.640 -9.823 219 HG2 GLU 32 1HG GLU 32 6.813 -6.458 -10.715 220 HG3 GLU 32 2HG GLU 32 7.437 -7.448 -9.411 221 H ALA 33 H ALA 33 3.114 -6.607 -7.707 222 HA ALA 33 HA ALA 33 3.775 -4.093 -7.151 223 HB1 ALA 33 1HB ALA 33 1.896 -4.840 -5.138 224 HB2 ALA 33 2HB ALA 33 1.570 -4.117 -6.731 225 HB3 ALA 33 3HB ALA 33 1.605 -5.887 -6.547 226 H LYS 34 H LYS 34 3.680 -6.700 -4.612 227 HA LYS 34 HA LYS 34 4.610 -5.246 -2.517 228 HB2 LYS 34 1HB LYS 34 4.991 -8.142 -3.282 229 HB3 LYS 34 2HB LYS 34 5.625 -7.501 -1.780 230 HG2 LYS 34 1HG LYS 34 3.432 -6.888 -0.987 231 HG3 LYS 34 2HG LYS 34 2.717 -7.084 -2.575 232 HD2 LYS 34 1HD LYS 34 3.936 -9.590 -1.968 233 HD3 LYS 34 2HD LYS 34 3.136 -9.085 -0.493 234 HE2 LYS 34 1HE LYS 34 1.012 -9.197 -1.429 235 HE3 LYS 34 2HE LYS 34 1.566 -8.723 -3.023 236 HZ1 LYS 34 1HZ LYS 34 2.772 -11.063 -2.726 237 HZ2 LYS 34 2HZ LYS 34 1.413 -11.338 -1.863 238 HZ3 LYS 34 3HZ LYS 34 1.309 -10.884 -3.428 239 H GLU 35 H GLU 35 6.580 -6.948 -5.038 240 HA GLU 35 HA GLU 35 9.027 -6.325 -3.992 241 HB2 GLU 35 1HB GLU 35 8.414 -6.423 -6.972 242 HB3 GLU 35 2HB GLU 35 9.919 -6.845 -6.180 243 HG2 GLU 35 1HG GLU 35 8.449 -8.616 -4.876 244 HG3 GLU 35 2HG GLU 35 7.292 -8.363 -6.168 245 H VAL 36 H VAL 36 6.681 -4.296 -5.679 246 HA VAL 36 HA VAL 36 8.597 -2.253 -6.312 247 HB VAL 36 HB VAL 36 5.580 -2.120 -6.311 248 HG11 VAL 36 1HG1 VAL 36 7.075 -0.014 -6.545 249 HG12 VAL 36 2HG1 VAL 36 7.459 -0.654 -8.161 250 HG13 VAL 36 3HG1 VAL 36 5.774 -0.274 -7.732 251 HG21 VAL 36 1HG2 VAL 36 7.262 -2.849 -8.711 252 HG22 VAL 36 2HG2 VAL 36 6.625 -4.089 -7.605 253 HG23 VAL 36 3HG2 VAL 36 5.506 -3.018 -8.480 254 H LEU 37 H LEU 37 6.790 -3.289 -3.539 255 HA LEU 37 HA LEU 37 7.023 -0.628 -2.341 256 HB2 LEU 37 1HB LEU 37 5.428 -3.064 -1.539 257 HB3 LEU 37 2HB LEU 37 5.540 -1.598 -0.585 258 HG LEU 37 HG LEU 37 4.177 -2.031 -3.233 259 HD11 LEU 37 1HD1 LEU 37 2.330 -0.826 -2.009 260 HD12 LEU 37 2HD1 LEU 37 2.775 -2.423 -1.360 261 HD13 LEU 37 3HD1 LEU 37 3.331 -0.943 -0.542 262 HD21 LEU 37 1HD2 LEU 37 5.179 0.587 -2.116 263 HD22 LEU 37 2HD2 LEU 37 5.384 -0.085 -3.751 264 HD23 LEU 37 3HD2 LEU 37 3.787 0.494 -3.221 265 H GLN 38 H GLN 38 9.136 -2.888 -2.917 266 HA GLN 38 HA GLN 38 9.877 -3.871 -0.422 267 HB2 GLN 38 1HB GLN 38 10.958 -3.815 -3.158 268 HB3 GLN 38 2HB GLN 38 12.227 -3.730 -1.953 269 HG2 GLN 38 1HG GLN 38 10.460 -5.687 -0.945 270 HG3 GLN 38 2HG GLN 38 10.490 -5.993 -2.671 271 HE21 GLN 38 1HE2 GLN 38 13.112 -4.969 -3.155 272 HE22 GLN 38 2HE2 GLN 38 14.268 -6.084 -2.506 273 HA PRO 39 HA PRO 39 12.768 -0.106 -0.344 274 HB2 PRO 39 1HB PRO 39 12.424 1.912 -2.155 275 HB3 PRO 39 2HB PRO 39 13.594 0.624 -2.365 276 HG2 PRO 39 1HG PRO 39 10.994 1.006 -3.719 277 HG3 PRO 39 2HG PRO 39 12.344 -0.003 -4.199 278 HD2 PRO 39 1HD PRO 39 9.896 -0.876 -2.984 279 HD3 PRO 39 2HD PRO 39 11.292 -1.867 -3.358 280 H TYR 40 H TYR 40 9.546 -0.275 -0.318 281 HA TYR 40 HA TYR 40 9.382 2.242 1.201 282 HB2 TYR 40 1HB TYR 40 7.295 0.696 -0.462 283 HB3 TYR 40 2HB TYR 40 6.970 2.196 0.384 284 HD1 TYR 40 2HD TYR 40 7.825 4.337 -0.466 285 HD2 TYR 40 1HD TYR 40 8.563 0.674 -2.550 286 HE1 TYR 40 2HE TYR 40 8.514 5.644 -2.535 287 HE2 TYR 40 1HE TYR 40 9.249 1.993 -4.612 288 HH TYR 40 HH TYR 40 10.250 4.779 -4.715 289 H LYS 41 H LYS 41 9.591 -1.055 1.493 290 HA LYS 41 HA LYS 41 7.418 -1.763 3.063 291 HB2 LYS 41 1HB LYS 41 8.681 -3.676 3.657 292 HB3 LYS 41 2HB LYS 41 9.134 -3.277 2.013 293 HG2 LYS 41 1HG LYS 41 11.286 -3.366 2.762 294 HG3 LYS 41 2HG LYS 41 10.973 -1.788 3.458 295 HD2 LYS 41 1HD LYS 41 9.907 -3.432 5.405 296 HD3 LYS 41 2HD LYS 41 11.206 -4.441 4.801 297 HE2 LYS 41 1HE LYS 41 12.401 -1.904 5.000 298 HE3 LYS 41 2HE LYS 41 11.352 -1.965 6.402 299 HZ1 LYS 41 1HZ LYS 41 13.436 -2.918 6.943 300 HZ2 LYS 41 2HZ LYS 41 12.346 -4.134 6.913 301 HZ3 LYS 41 3HZ LYS 41 13.394 -3.947 5.675 302 H ASP 42 H ASP 42 10.314 0.160 3.767 303 HA ASP 42 HA ASP 42 9.719 0.049 6.584 304 HB2 ASP 42 1HB ASP 42 12.069 -0.048 6.006 305 HB3 ASP 42 2HB ASP 42 11.930 1.323 4.924 306 H ARG 43 H ARG 43 9.090 1.927 3.716 307 HA ARG 43 HA ARG 43 8.957 4.456 4.873 308 HB2 ARG 43 1HB ARG 43 7.667 3.234 2.390 309 HB3 ARG 43 2HB ARG 43 7.450 4.923 2.806 310 HG2 ARG 43 1HG ARG 43 10.197 3.628 2.502 311 HG3 ARG 43 2HG ARG 43 9.366 4.421 1.179 312 HD2 ARG 43 1HD ARG 43 10.630 6.210 1.984 313 HD3 ARG 43 2HD ARG 43 9.160 6.445 2.908 314 HE ARG 43 HE ARG 43 11.080 4.674 4.235 315 HH11 ARG 43 2HH2 ARG 43 10.107 8.020 3.749 316 HH12 ARG 43 1HH2 ARG 43 10.840 8.580 5.216 317 HH21 ARG 43 2HH1 ARG 43 12.047 5.412 6.170 318 HH22 ARG 43 1HH1 ARG 43 11.951 7.086 6.602 319 H PHE 44 H PHE 44 7.039 1.662 5.308 320 HA PHE 44 HA PHE 44 5.253 2.894 7.022 321 HB2 PHE 44 1HB PHE 44 3.174 2.548 5.505 322 HB3 PHE 44 2HB PHE 44 4.197 3.901 5.063 323 HD1 PHE 44 1HD PHE 44 3.944 0.242 4.326 324 HD2 PHE 44 2HD PHE 44 4.681 4.144 2.829 325 HE1 PHE 44 1HE PHE 44 4.177 -0.691 2.007 326 HE2 PHE 44 2HE PHE 44 4.915 3.211 0.511 327 HZ PHE 44 HZ PHE 44 4.660 0.805 0.128 328 H ILE 45 H ILE 45 3.236 1.316 7.412 329 HA ILE 45 HA ILE 45 4.420 -1.338 7.512 330 HB ILE 45 HB ILE 45 2.134 0.000 8.942 331 HG12 ILE 45 1HG1 ILE 45 4.498 -1.340 10.222 332 HG13 ILE 45 2HG1 ILE 45 4.690 0.254 9.521 333 HG21 ILE 45 1HG2 ILE 45 1.150 -1.949 9.316 334 HG22 ILE 45 2HG2 ILE 45 2.369 -2.781 8.322 335 HG23 ILE 45 3HG2 ILE 45 2.646 -2.557 10.066 336 HD11 ILE 45 1HD1 ILE 45 3.139 1.249 11.006 337 HD12 ILE 45 2HD1 ILE 45 2.367 -0.309 11.388 338 HD13 ILE 45 3HD1 ILE 45 3.982 0.067 12.036 339 H LEU 46 H LEU 46 4.154 -2.374 5.570 340 HA LEU 46 HA LEU 46 1.801 -2.014 4.019 341 HB2 LEU 46 1HB LEU 46 3.994 -2.456 3.048 342 HB3 LEU 46 2HB LEU 46 4.048 -4.024 3.830 343 HG LEU 46 HG LEU 46 2.051 -4.718 2.504 344 HD11 LEU 46 1HD1 LEU 46 1.957 -3.049 0.342 345 HD12 LEU 46 2HD1 LEU 46 0.803 -3.041 1.698 346 HD13 LEU 46 3HD1 LEU 46 2.165 -1.895 1.682 347 HD21 LEU 46 1HD2 LEU 46 3.635 -5.651 1.263 348 HD22 LEU 46 2HD2 LEU 46 3.616 -4.205 0.225 349 HD23 LEU 46 3HD2 LEU 46 4.755 -4.306 1.589 350 H GLN 47 H GLN 47 -0.158 -2.769 4.611 351 HA GLN 47 HA GLN 47 -0.221 -5.118 6.287 352 HB2 GLN 47 1HB GLN 47 -1.636 -2.794 6.412 353 HB3 GLN 47 2HB GLN 47 -2.751 -3.750 5.456 354 HG2 GLN 47 1HG GLN 47 -1.956 -4.060 8.309 355 HG3 GLN 47 2HG GLN 47 -3.476 -4.447 7.528 356 HE21 GLN 47 1HE2 GLN 47 -0.427 -5.575 8.595 357 HE22 GLN 47 2HE2 GLN 47 -0.572 -7.241 8.143 358 H GLU 48 H GLU 48 -0.049 -7.012 5.132 359 HA GLU 48 HA GLU 48 -1.205 -7.144 2.521 360 HB2 GLU 48 1HB GLU 48 0.706 -8.714 4.136 361 HB3 GLU 48 2HB GLU 48 -0.370 -9.722 3.189 362 HG2 GLU 48 1HG GLU 48 0.451 -8.946 1.155 363 HG3 GLU 48 2HG GLU 48 0.811 -7.349 1.780 364 H VAL 49 H VAL 49 -3.441 -7.208 2.531 365 HA VAL 49 HA VAL 49 -4.738 -8.935 4.484 366 HB VAL 49 HB VAL 49 -5.812 -6.924 2.497 367 HG11 VAL 49 1HG1 VAL 49 -7.818 -7.247 4.277 368 HG12 VAL 49 2HG1 VAL 49 -7.697 -8.164 2.757 369 HG13 VAL 49 3HG1 VAL 49 -7.142 -8.893 4.283 370 HG21 VAL 49 1HG2 VAL 49 -4.525 -6.537 4.974 371 HG22 VAL 49 2HG2 VAL 49 -5.444 -5.342 4.027 372 HG23 VAL 49 3HG2 VAL 49 -6.262 -6.300 5.285 373 H ASP 50 H ASP 50 -5.836 -10.814 3.953 374 HA ASP 50 HA ASP 50 -5.301 -11.746 1.270 375 HB2 ASP 50 1HB ASP 50 -5.830 -12.991 3.940 376 HB3 ASP 50 2HB ASP 50 -6.469 -13.870 2.565 377 H ILE 51 H ILE 51 -6.981 -11.074 -0.114 378 HA ILE 51 HA ILE 51 -9.661 -10.847 0.874 379 HB ILE 51 HB ILE 51 -10.174 -10.112 -1.385 380 HG12 ILE 51 1HG1 ILE 51 -7.284 -10.478 -2.161 381 HG13 ILE 51 2HG1 ILE 51 -8.452 -11.761 -2.412 382 HG21 ILE 51 1HG2 ILE 51 -8.751 -8.767 0.477 383 HG22 ILE 51 2HG2 ILE 51 -7.639 -8.661 -0.909 384 HG23 ILE 51 3HG2 ILE 51 -9.307 -8.058 -1.058 385 HD11 ILE 51 1HD1 ILE 51 -9.612 -9.265 -3.320 386 HD12 ILE 51 2HD1 ILE 51 -8.002 -9.469 -4.052 387 HD13 ILE 51 3HD1 ILE 51 -9.242 -10.729 -4.263 388 H THR 52 H THR 52 -7.647 -13.342 -0.465 389 HA THR 52 HA THR 52 -9.659 -14.846 -1.760 390 HB THR 52 HB THR 52 -7.855 -16.671 -1.445 391 HG1 THR 52 1HG THR 52 -6.828 -15.907 0.446 392 HG21 THR 52 1HG2 THR 52 -7.021 -15.781 -3.376 393 HG22 THR 52 2HG2 THR 52 -7.700 -14.189 -2.963 394 HG23 THR 52 3HG2 THR 52 -6.074 -14.638 -2.393 395 H LEU 53 H LEU 53 -9.283 -14.024 1.509 396 HA LEU 53 HA LEU 53 -10.221 -16.535 2.547 397 HB2 LEU 53 1HB LEU 53 -9.561 -13.843 3.694 398 HB3 LEU 53 2HB LEU 53 -10.450 -15.017 4.644 399 HG LEU 53 HG LEU 53 -7.747 -15.565 3.392 400 HD11 LEU 53 1HD1 LEU 53 -8.262 -14.933 6.303 401 HD12 LEU 53 2HD1 LEU 53 -6.702 -15.087 5.458 402 HD13 LEU 53 3HD1 LEU 53 -7.769 -13.704 5.114 403 HD21 LEU 53 1HD2 LEU 53 -8.449 -17.145 5.715 404 HD22 LEU 53 2HD2 LEU 53 -9.667 -17.314 4.429 405 HD23 LEU 53 3HD2 LEU 53 -7.956 -17.664 4.086 406 HA PRO 54 HA PRO 54 -14.448 -15.699 2.323 407 HB2 PRO 54 1HB PRO 54 -15.451 -16.913 4.556 408 HB3 PRO 54 2HB PRO 54 -15.006 -17.791 3.106 409 HG2 PRO 54 1HG PRO 54 -13.571 -17.622 5.685 410 HG3 PRO 54 2HG PRO 54 -13.384 -18.799 4.400 411 HD2 PRO 54 1HD PRO 54 -11.634 -16.602 4.984 412 HD3 PRO 54 2HD PRO 54 -11.512 -17.709 3.630 413 H GLU 55 H GLU 55 -13.145 -14.977 5.505 414 HA GLU 55 HA GLU 55 -15.240 -13.237 6.141 415 HB2 GLU 55 1HB GLU 55 -13.800 -12.545 8.018 416 HB3 GLU 55 2HB GLU 55 -13.786 -14.289 7.843 417 HG2 GLU 55 1HG GLU 55 -11.635 -14.129 6.554 418 HG3 GLU 55 2HG GLU 55 -11.644 -12.390 6.771 419 H ASN 56 H ASN 56 -12.347 -12.948 4.171 420 HA ASN 56 HA ASN 56 -12.565 -10.059 4.241 421 HB2 ASN 56 1HB ASN 56 -10.482 -11.936 3.006 422 HB3 ASN 56 2HB ASN 56 -10.420 -10.192 2.845 423 HD21 ASN 56 1HD2 ASN 56 -8.644 -12.174 4.163 424 HD22 ASN 56 2HD2 ASN 56 -8.420 -11.628 5.791 425 H SER 57 H SER 57 -14.158 -12.475 2.761 426 HA SER 57 HA SER 57 -13.780 -12.313 0.089 427 HB2 SER 57 1HB SER 57 -15.309 -13.944 0.810 428 HB3 SER 57 2HB SER 57 -16.196 -12.823 1.823 429 HG SER 57 HG SER 57 -17.135 -13.573 -0.370 430 H THR 58 H THR 58 -14.984 -9.866 2.275 431 HA THR 58 HA THR 58 -16.511 -8.395 0.374 432 HB THR 58 HB THR 58 -15.380 -7.968 3.162 433 HG1 THR 58 1HG THR 58 -17.795 -7.724 3.374 434 HG21 THR 58 1HG2 THR 58 -16.660 -5.912 1.306 435 HG22 THR 58 2HG2 THR 58 -16.849 -5.815 3.073 436 HG23 THR 58 3HG2 THR 58 -15.228 -5.709 2.344 437 H TRP 59 H TRP 59 -13.126 -8.169 1.613 438 HA TRP 59 HA TRP 59 -12.495 -5.865 0.150 439 HB2 TRP 59 1HB TRP 59 -10.887 -8.056 1.431 440 HB3 TRP 59 2HB TRP 59 -10.106 -6.816 0.470 441 HD1 TRP 59 HD TRP 59 -11.343 -7.418 3.943 442 HE1 TRP 59 1HE TRP 59 -11.221 -5.270 5.469 443 HE3 TRP 59 3HE TRP 59 -10.500 -4.133 0.154 444 HZ2 TRP 59 2HZ TRP 59 -10.795 -2.499 4.933 445 HZ3 TRP 59 3HZ TRP 59 -10.242 -1.724 0.742 446 HH2 TRP 59 HH TRP 59 -10.377 -0.891 3.036 447 H TYR 60 H TYR 60 -13.181 -9.129 -0.771 448 HA TYR 60 HA TYR 60 -11.573 -8.977 -3.190 449 HB2 TYR 60 1HB TYR 60 -11.901 -11.049 -1.679 450 HB3 TYR 60 2HB TYR 60 -13.604 -11.020 -2.091 451 HD1 TYR 60 2HD TYR 60 -14.318 -11.474 -4.464 452 HD2 TYR 60 1HD TYR 60 -10.281 -12.014 -3.153 453 HE1 TYR 60 2HE TYR 60 -13.844 -12.924 -6.498 454 HE2 TYR 60 1HE TYR 60 -9.821 -13.462 -5.191 455 HH TYR 60 HH TYR 60 -11.965 -14.928 -6.880 456 H GLU 61 H GLU 61 -15.056 -9.533 -2.287 457 HA GLU 61 HA GLU 61 -16.053 -9.439 -4.810 458 HB2 GLU 61 1HB GLU 61 -17.244 -8.587 -2.146 459 HB3 GLU 61 2HB GLU 61 -18.191 -8.573 -3.620 460 HG2 GLU 61 1HG GLU 61 -17.850 -10.970 -3.953 461 HG3 GLU 61 2HG GLU 61 -16.677 -11.040 -2.653 462 H ARG 62 H ARG 62 -14.610 -6.876 -2.957 463 HA ARG 62 HA ARG 62 -15.927 -4.872 -4.564 464 HB2 ARG 62 1HB ARG 62 -15.009 -3.251 -3.014 465 HB3 ARG 62 2HB ARG 62 -15.597 -4.588 -2.046 466 HG2 ARG 62 1HG ARG 62 -13.312 -5.517 -1.866 467 HG3 ARG 62 2HG ARG 62 -12.692 -4.278 -2.938 468 HD2 ARG 62 1HD ARG 62 -13.792 -3.923 -0.121 469 HD3 ARG 62 2HD ARG 62 -12.187 -3.532 -0.704 470 HE ARG 62 HE ARG 62 -13.772 -1.940 -2.289 471 HH11 ARG 62 2HH2 ARG 62 -13.625 -2.438 1.191 472 HH12 ARG 62 1HH2 ARG 62 -14.164 -0.836 1.572 473 HH21 ARG 62 2HH1 ARG 62 -14.483 0.173 -1.788 474 HH22 ARG 62 1HH1 ARG 62 -14.655 0.659 -0.134 475 H TYR 63 H TYR 63 -12.767 -6.443 -3.970 476 HA TYR 63 HA TYR 63 -11.733 -5.047 -6.338 477 HB2 TYR 63 1HB TYR 63 -10.429 -5.730 -3.631 478 HB3 TYR 63 2HB TYR 63 -9.504 -5.167 -5.009 479 HD1 TYR 63 2HD TYR 63 -11.245 -3.016 -6.081 480 HD2 TYR 63 1HD TYR 63 -10.264 -4.022 -2.041 481 HE1 TYR 63 2HE TYR 63 -11.663 -0.611 -5.373 482 HE2 TYR 63 1HE TYR 63 -10.685 -1.613 -1.346 483 HH TYR 63 HH TYR 63 -11.545 0.313 -1.969 484 H LYS 64 H LYS 64 -12.732 -7.208 -7.181 485 HA LYS 64 HA LYS 64 -10.877 -9.417 -6.694 486 HB2 LYS 64 1HB LYS 64 -12.593 -10.852 -7.601 487 HB3 LYS 64 2HB LYS 64 -13.279 -9.848 -6.340 488 HG2 LYS 64 1HG LYS 64 -13.997 -8.221 -8.228 489 HG3 LYS 64 2HG LYS 64 -13.578 -9.499 -9.352 490 HD2 LYS 64 1HD LYS 64 -15.515 -10.607 -8.930 491 HD3 LYS 64 2HD LYS 64 -15.212 -10.596 -7.204 492 HE2 LYS 64 1HE LYS 64 -15.906 -7.938 -7.693 493 HE3 LYS 64 2HE LYS 64 -16.927 -8.799 -8.827 494 HZ1 LYS 64 1HZ LYS 64 -16.958 -10.154 -6.399 495 HZ2 LYS 64 2HZ LYS 64 -17.255 -8.577 -6.097 496 HZ3 LYS 64 3HZ LYS 64 -18.194 -9.397 -7.151 497 H PHE 65 H PHE 65 -11.575 -6.841 -8.865 498 HA PHE 65 HA PHE 65 -9.780 -8.073 -10.806 499 HB2 PHE 65 1HB PHE 65 -11.392 -6.946 -12.551 500 HB3 PHE 65 2HB PHE 65 -11.948 -8.433 -11.810 501 HD1 PHE 65 1HD PHE 65 -12.081 -4.749 -11.191 502 HD2 PHE 65 2HD PHE 65 -14.099 -8.477 -10.984 503 HE1 PHE 65 1HE PHE 65 -14.160 -3.581 -10.408 504 HE2 PHE 65 2HE PHE 65 -16.178 -7.308 -10.201 505 HZ PHE 65 HZ PHE 65 -16.183 -4.874 -9.922 506 H ASP 66 H ASP 66 -10.048 -5.761 -8.610 507 HA ASP 66 HA ASP 66 -8.960 -3.725 -10.393 508 HB2 ASP 66 1HB ASP 66 -10.032 -3.000 -7.674 509 HB3 ASP 66 2HB ASP 66 -9.986 -2.033 -9.135 510 H ILE 67 H ILE 67 -7.508 -5.961 -9.142 511 HA ILE 67 HA ILE 67 -6.014 -4.557 -7.041 512 HB ILE 67 HB ILE 67 -5.199 -7.148 -6.904 513 HG12 ILE 67 1HG1 ILE 67 -8.107 -7.172 -7.753 514 HG13 ILE 67 2HG1 ILE 67 -6.763 -7.968 -8.546 515 HG21 ILE 67 1HG2 ILE 67 -7.646 -6.389 -5.371 516 HG22 ILE 67 2HG2 ILE 67 -6.118 -7.112 -4.815 517 HG23 ILE 67 3HG2 ILE 67 -6.192 -5.377 -5.203 518 HD11 ILE 67 1HD1 ILE 67 -6.802 -8.766 -5.758 519 HD12 ILE 67 2HD1 ILE 67 -8.417 -9.006 -6.467 520 HD13 ILE 67 3HD1 ILE 67 -6.995 -9.778 -7.209 521 HA PRO 68 HA PRO 68 -4.219 -5.646 -6.128 522 HB2 PRO 68 1HB PRO 68 -1.826 -4.524 -5.434 523 HB3 PRO 68 2HB PRO 68 -2.017 -6.229 -5.792 524 HG2 PRO 68 1HG PRO 68 -0.807 -4.109 -7.459 525 HG3 PRO 68 2HG PRO 68 -0.633 -5.848 -7.597 526 HD2 PRO 68 1HD PRO 68 -2.254 -4.149 -9.245 527 HD3 PRO 68 2HD PRO 68 -2.169 -5.899 -9.307 528 H VAL 69 H VAL 69 -4.781 -4.349 -4.346 529 HA VAL 69 HA VAL 69 -5.182 -1.575 -5.221 530 HB VAL 69 HB VAL 69 -6.698 -3.347 -3.302 531 HG11 VAL 69 1HG1 VAL 69 -6.619 -1.161 -2.294 532 HG12 VAL 69 2HG1 VAL 69 -7.016 -0.377 -3.842 533 HG13 VAL 69 3HG1 VAL 69 -8.230 -1.385 -3.017 534 HG21 VAL 69 1HG2 VAL 69 -7.186 -3.712 -5.682 535 HG22 VAL 69 2HG2 VAL 69 -8.574 -2.979 -4.842 536 HG23 VAL 69 3HG2 VAL 69 -7.532 -1.977 -5.882 537 H PHE 70 H PHE 70 -4.754 0.139 -3.699 538 HA PHE 70 HA PHE 70 -3.205 -0.687 -1.364 539 HB2 PHE 70 1HB PHE 70 -2.492 1.375 -3.536 540 HB3 PHE 70 2HB PHE 70 -1.594 1.205 -2.040 541 HD1 PHE 70 2HD PHE 70 -2.349 -0.343 -5.275 542 HD2 PHE 70 1HD PHE 70 -0.089 -0.656 -1.697 543 HE1 PHE 70 2HE PHE 70 -0.895 -2.087 -6.346 544 HE2 PHE 70 1HE PHE 70 1.365 -2.399 -2.768 545 HZ PHE 70 HZ PHE 70 0.944 -3.094 -5.080 546 H HIS 71 H HIS 71 -4.115 0.240 0.404 547 HA HIS 71 HA HIS 71 -5.467 2.803 -0.020 548 HB2 HIS 71 1HB HIS 71 -5.980 0.598 1.992 549 HB3 HIS 71 2HB HIS 71 -6.731 2.179 2.073 550 HD1 HIS 71 1HD HIS 71 -8.981 0.630 1.830 551 HD2 HIS 71 2HD HIS 71 -6.552 1.004 -1.569 552 HE1 HIS 71 1HE HIS 71 -10.417 -0.080 -0.156 553 H LEU 72 H LEU 72 -4.462 4.562 0.804 554 HA LEU 72 HA LEU 72 -2.464 4.074 2.894 555 HB2 LEU 72 1HB LEU 72 -2.235 5.339 0.462 556 HB3 LEU 72 2HB LEU 72 -2.479 6.683 1.559 557 HG LEU 72 HG LEU 72 -0.221 4.708 1.446 558 HD11 LEU 72 1HD1 LEU 72 -0.565 7.675 1.314 559 HD12 LEU 72 2HD1 LEU 72 0.964 7.014 1.939 560 HD13 LEU 72 3HD1 LEU 72 0.412 6.586 0.302 561 HD21 LEU 72 1HD2 LEU 72 0.372 6.067 3.721 562 HD22 LEU 72 2HD2 LEU 72 -1.387 5.864 3.900 563 HD23 LEU 72 3HD2 LEU 72 -0.345 4.439 3.675 564 H ASN 73 H ASN 73 -3.033 4.585 4.932 565 HA ASN 73 HA ASN 73 -3.973 5.565 6.622 566 HB2 ASN 73 1HB ASN 73 -4.065 7.776 4.580 567 HB3 ASN 73 2HB ASN 73 -5.079 7.987 5.993 568 HD21 ASN 73 1HD2 ASN 73 -1.825 7.595 4.791 569 HD22 ASN 73 2HD2 ASN 73 -0.972 8.147 6.193 570 H GLY 74 H GLY 74 -5.555 3.649 5.575 571 HA2 GLY 74 1HA GLY 74 -7.652 2.905 5.231 572 HA3 GLY 74 2HA GLY 74 -8.129 4.172 6.343 573 H GLN 75 H GLN 75 -6.642 4.522 3.063 574 HA GLN 75 HA GLN 75 -9.161 5.257 1.949 575 HB2 GLN 75 1HB GLN 75 -8.309 7.344 3.175 576 HB3 GLN 75 2HB GLN 75 -6.984 7.386 2.029 577 HG2 GLN 75 1HG GLN 75 -8.607 8.824 1.063 578 HG3 GLN 75 2HG GLN 75 -8.794 7.329 0.168 579 HE21 GLN 75 1HE2 GLN 75 -10.835 8.956 0.043 580 HE22 GLN 75 2HE2 GLN 75 -12.181 8.451 1.010 581 H PHE 76 H PHE 76 -9.150 4.426 -0.094 582 HA PHE 76 HA PHE 76 -7.117 3.106 -1.235 583 HB2 PHE 76 1HB PHE 76 -9.110 2.896 -2.445 584 HB3 PHE 76 2HB PHE 76 -9.605 4.535 -2.069 585 HD1 PHE 76 1HD PHE 76 -7.244 2.638 -4.237 586 HD2 PHE 76 2HD PHE 76 -9.549 6.164 -3.727 587 HE1 PHE 76 1HE PHE 76 -6.680 3.345 -6.578 588 HE2 PHE 76 2HE PHE 76 -8.985 6.872 -6.068 589 HZ PHE 76 HZ PHE 76 -7.558 5.454 -7.466 590 H LEU 77 H LEU 77 -5.100 3.617 -1.929 591 HA LEU 77 HA LEU 77 -4.573 6.421 -2.542 592 HB2 LEU 77 1HB LEU 77 -2.789 6.059 -1.309 593 HB3 LEU 77 2HB LEU 77 -3.176 4.356 -1.164 594 HG LEU 77 HG LEU 77 -2.055 4.146 -3.515 595 HD11 LEU 77 1HD1 LEU 77 -0.993 6.814 -2.563 596 HD12 LEU 77 2HD1 LEU 77 -0.179 5.801 -3.779 597 HD13 LEU 77 3HD1 LEU 77 -1.810 6.439 -4.100 598 HD21 LEU 77 1HD2 LEU 77 -1.031 4.088 -0.801 599 HD22 LEU 77 2HD2 LEU 77 -0.718 2.991 -2.167 600 HD23 LEU 77 3HD2 LEU 77 0.249 4.474 -1.977 601 H MET 78 H MET 78 -4.274 3.084 -3.884 602 HA MET 78 HA MET 78 -4.806 3.980 -6.458 603 HB2 MET 78 1HB MET 78 -2.623 3.802 -7.520 604 HB3 MET 78 2HB MET 78 -2.400 4.842 -6.127 605 HG2 MET 78 1HG MET 78 -1.748 2.675 -4.828 606 HG3 MET 78 2HG MET 78 -1.636 1.906 -6.398 607 HE1 MET 78 1HE MET 78 0.708 3.042 -3.885 608 HE2 MET 78 2HE MET 78 0.699 1.603 -4.932 609 HE3 MET 78 3HE MET 78 2.032 2.778 -5.045 610 H MET 79 H MET 79 -4.997 2.194 -7.976 611 HA MET 79 HA MET 79 -4.316 -0.401 -6.898 612 HB2 MET 79 1HB MET 79 -6.672 -1.206 -7.505 613 HB3 MET 79 2HB MET 79 -6.623 -0.111 -6.138 614 HG2 MET 79 1HG MET 79 -7.256 1.794 -7.594 615 HG3 MET 79 2HG MET 79 -7.205 0.763 -9.010 616 HE1 MET 79 1HE MET 79 -9.209 2.434 -6.628 617 HE2 MET 79 2HE MET 79 -9.923 2.434 -8.258 618 HE3 MET 79 3HE MET 79 -10.828 1.743 -6.890 619 H HIS 80 H HIS 80 -4.486 -2.157 -8.580 620 HA HIS 80 HA HIS 80 -4.499 -2.923 -10.680 621 HB2 HIS 80 1HB HIS 80 -4.541 -0.148 -11.850 622 HB3 HIS 80 2HB HIS 80 -5.068 -1.654 -12.574 623 HD1 HIS 80 1HD HIS 80 -6.966 0.782 -12.491 624 HD2 HIS 80 2HD HIS 80 -6.891 -2.233 -9.575 625 HE1 HIS 80 1HE HIS 80 -9.253 0.825 -11.360 626 H ARG 81 H ARG 81 -2.321 -1.402 -8.903 627 HA ARG 81 HA ARG 81 -0.142 -2.424 -9.957 628 HB2 ARG 81 1HB ARG 81 -0.985 -0.166 -11.636 629 HB3 ARG 81 2HB ARG 81 0.612 0.122 -10.974 630 HG2 ARG 81 1HG ARG 81 1.465 -1.963 -11.893 631 HG3 ARG 81 2HG ARG 81 -0.144 -2.506 -12.323 632 HD2 ARG 81 1HD ARG 81 -0.304 -1.052 -14.163 633 HD3 ARG 81 2HD ARG 81 0.808 0.116 -13.477 634 HE ARG 81 HE ARG 81 2.558 -1.016 -14.521 635 HH11 ARG 81 2HH2 ARG 81 -0.146 -3.238 -14.146 636 HH12 ARG 81 1HH2 ARG 81 0.627 -4.525 -15.009 637 HH21 ARG 81 2HH1 ARG 81 3.577 -2.715 -15.660 638 HH22 ARG 81 1HH1 ARG 81 2.759 -4.226 -15.876 639 H VAL 82 H VAL 82 1.894 -0.477 -9.620 640 HA VAL 82 HA VAL 82 1.213 0.764 -7.050 641 HB VAL 82 HB VAL 82 3.793 -0.688 -7.650 642 HG11 VAL 82 1HG1 VAL 82 3.145 -0.432 -4.859 643 HG12 VAL 82 2HG1 VAL 82 4.542 0.214 -5.754 644 HG13 VAL 82 3HG1 VAL 82 3.042 1.166 -5.636 645 HG21 VAL 82 1HG2 VAL 82 2.539 -2.561 -7.468 646 HG22 VAL 82 2HG2 VAL 82 2.599 -2.199 -5.727 647 HG23 VAL 82 3HG2 VAL 82 1.184 -1.709 -6.689 648 H ASN 83 H ASN 83 0.909 2.718 -8.353 649 HA ASN 83 HA ASN 83 3.038 3.652 -9.932 650 HB2 ASN 83 1HB ASN 83 0.541 4.961 -8.756 651 HB3 ASN 83 2HB ASN 83 1.683 5.878 -9.718 652 HD21 ASN 83 1HD2 ASN 83 2.192 5.102 -11.874 653 HD22 ASN 83 2HD2 ASN 83 0.978 4.303 -12.817 654 H THR 84 H THR 84 4.821 3.418 -8.276 655 HA THR 84 HA THR 84 4.995 4.431 -5.804 656 HB THR 84 HB THR 84 7.419 4.686 -6.302 657 HG1 THR 84 1HG THR 84 6.373 4.451 -9.036 658 HG21 THR 84 1HG2 THR 84 7.123 2.580 -8.265 659 HG22 THR 84 2HG2 THR 84 7.593 2.424 -6.555 660 HG23 THR 84 3HG2 THR 84 5.875 2.356 -7.016 661 H SER 85 H SER 85 5.438 6.402 -8.810 662 HA SER 85 HA SER 85 6.097 8.742 -7.795 663 HB2 SER 85 1HB SER 85 5.066 7.876 -10.202 664 HB3 SER 85 2HB SER 85 3.794 8.956 -9.668 665 HG SER 85 HG SER 85 5.570 10.574 -9.282 666 H LYS 86 H LYS 86 2.742 7.374 -7.830 667 HA LYS 86 HA LYS 86 1.587 9.621 -6.565 668 HB2 LYS 86 1HB LYS 86 0.658 7.410 -7.908 669 HB3 LYS 86 2HB LYS 86 0.228 7.024 -6.254 670 HG2 LYS 86 1HG LYS 86 -1.337 8.700 -6.128 671 HG3 LYS 86 2HG LYS 86 -0.328 9.847 -6.987 672 HD2 LYS 86 1HD LYS 86 -2.074 9.496 -8.523 673 HD3 LYS 86 2HD LYS 86 -0.851 8.388 -9.112 674 HE2 LYS 86 1HE LYS 86 -2.343 6.966 -7.118 675 HE3 LYS 86 2HE LYS 86 -3.518 7.790 -8.124 676 HZ1 LYS 86 1HZ LYS 86 -3.064 5.781 -9.169 677 HZ2 LYS 86 2HZ LYS 86 -2.221 6.872 -10.045 678 HZ3 LYS 86 3HZ LYS 86 -1.447 5.906 -8.980 679 H LEU 87 H LEU 87 2.359 6.284 -5.337 680 HA LEU 87 HA LEU 87 1.730 6.606 -2.743 681 HB2 LEU 87 1HB LEU 87 2.414 4.503 -3.371 682 HB3 LEU 87 2HB LEU 87 3.867 5.080 -4.164 683 HG LEU 87 HG LEU 87 4.865 5.567 -1.939 684 HD11 LEU 87 1HD1 LEU 87 3.859 5.023 0.091 685 HD12 LEU 87 2HD1 LEU 87 2.543 5.779 -0.840 686 HD13 LEU 87 3HD1 LEU 87 2.616 4.008 -0.680 687 HD21 LEU 87 1HD2 LEU 87 5.203 3.412 -3.185 688 HD22 LEU 87 2HD2 LEU 87 5.452 3.316 -1.425 689 HD23 LEU 87 3HD2 LEU 87 3.950 2.690 -2.148 690 H GLU 88 H GLU 88 5.099 7.197 -3.985 691 HA GLU 88 HA GLU 88 6.099 8.314 -1.764 692 HB2 GLU 88 1HB GLU 88 6.703 9.403 -4.541 693 HB3 GLU 88 2HB GLU 88 7.789 9.323 -3.168 694 HG2 GLU 88 1HG GLU 88 7.050 6.666 -3.418 695 HG3 GLU 88 2HG GLU 88 7.008 7.187 -5.091 696 H LYS 89 H LYS 89 4.389 10.073 -4.444 697 HA LYS 89 HA LYS 89 4.578 12.610 -3.439 698 HB2 LYS 89 1HB LYS 89 3.663 11.809 -5.676 699 HB3 LYS 89 2HB LYS 89 2.144 11.503 -4.858 700 HG2 LYS 89 1HG LYS 89 3.429 14.201 -4.454 701 HG3 LYS 89 2HG LYS 89 2.688 13.879 -6.009 702 HD2 LYS 89 1HD LYS 89 0.574 13.166 -4.769 703 HD3 LYS 89 2HD LYS 89 1.329 13.701 -3.281 704 HE2 LYS 89 1HE LYS 89 1.225 15.968 -3.869 705 HE3 LYS 89 2HE LYS 89 1.286 15.640 -5.589 706 HZ1 LYS 89 1HZ LYS 89 -0.995 15.453 -3.790 707 HZ2 LYS 89 2HZ LYS 89 -0.888 16.187 -5.244 708 HZ3 LYS 89 3HZ LYS 89 -0.981 14.559 -5.156 709 H GLN 90 H GLN 90 2.360 9.947 -2.513 710 HA GLN 90 HA GLN 90 0.798 11.609 -0.856 711 HB2 GLN 90 1HB GLN 90 1.103 8.587 -1.065 712 HB3 GLN 90 2HB GLN 90 -0.027 9.347 0.037 713 HG2 GLN 90 1HG GLN 90 0.014 9.682 -3.000 714 HG3 GLN 90 2HG GLN 90 -1.151 8.745 -2.086 715 HE21 GLN 90 1HE2 GLN 90 -0.308 11.773 -3.332 716 HE22 GLN 90 2HE2 GLN 90 -1.558 12.743 -2.627 717 H LEU 91 H LEU 91 3.301 9.054 -0.187 718 HA LEU 91 HA LEU 91 3.412 9.115 2.484 719 HB2 LEU 91 1HB LEU 91 5.587 8.935 0.421 720 HB3 LEU 91 2HB LEU 91 5.960 8.842 2.131 721 HG LEU 91 HG LEU 91 3.891 7.022 0.912 722 HD11 LEU 91 1HD1 LEU 91 5.752 6.645 -0.512 723 HD12 LEU 91 2HD1 LEU 91 6.895 6.673 0.853 724 HD13 LEU 91 3HD1 LEU 91 5.744 5.325 0.683 725 HD21 LEU 91 1HD2 LEU 91 3.821 6.077 2.921 726 HD22 LEU 91 2HD2 LEU 91 5.594 5.931 2.991 727 HD23 LEU 91 3HD2 LEU 91 4.803 7.437 3.517 728 H ARG 92 H ARG 92 5.352 11.372 0.390 729 HA ARG 92 HA ARG 92 6.481 12.874 2.224 730 HB2 ARG 92 1HB ARG 92 5.029 13.866 -0.279 731 HB3 ARG 92 2HB ARG 92 6.163 14.847 0.627 732 HG2 ARG 92 1HG ARG 92 7.742 12.688 0.305 733 HG3 ARG 92 2HG ARG 92 6.690 12.409 -1.068 734 HD2 ARG 92 1HD ARG 92 7.288 14.486 -2.104 735 HD3 ARG 92 2HD ARG 92 7.948 15.141 -0.618 736 HE ARG 92 HE ARG 92 9.954 13.957 -0.987 737 HH11 ARG 92 2HH2 ARG 92 7.475 12.861 -3.231 738 HH12 ARG 92 1HH2 ARG 92 8.579 11.949 -4.205 739 HH21 ARG 92 2HH1 ARG 92 11.412 12.754 -2.272 740 HH22 ARG 92 1HH1 ARG 92 10.834 11.888 -3.656 741 H LYS 93 H LYS 93 3.185 13.662 0.868 742 HA LYS 93 HA LYS 93 2.677 15.211 3.297 743 HB2 LYS 93 1HB LYS 93 1.845 15.420 0.459 744 HB3 LYS 93 2HB LYS 93 0.597 15.778 1.636 745 HG2 LYS 93 1HG LYS 93 3.051 17.026 2.524 746 HG3 LYS 93 2HG LYS 93 2.815 17.432 0.836 747 HD2 LYS 93 1HD LYS 93 1.605 19.129 1.944 748 HD3 LYS 93 2HD LYS 93 0.349 17.987 1.512 749 HE2 LYS 93 1HE LYS 93 0.852 16.924 3.887 750 HE3 LYS 93 2HE LYS 93 1.606 18.469 4.230 751 HZ1 LYS 93 1HZ LYS 93 -1.180 17.998 3.446 752 HZ2 LYS 93 2HZ LYS 93 -0.631 18.629 4.848 753 HZ3 LYS 93 3HZ LYS 93 -0.512 19.488 3.464 754 H LEU 94 H LEU 94 1.990 13.796 4.861 755 HA LEU 94 HA LEU 94 -0.600 12.745 4.616 756 HB2 LEU 94 1HB LEU 94 1.046 11.144 3.272 757 HB3 LEU 94 2HB LEU 94 1.345 10.505 4.876 758 HG LEU 94 HG LEU 94 -0.989 9.940 5.163 759 HD11 LEU 94 1HD1 LEU 94 -2.544 11.182 4.175 760 HD12 LEU 94 2HD1 LEU 94 -1.373 11.839 3.007 761 HD13 LEU 94 3HD1 LEU 94 -2.196 10.298 2.669 762 HD21 LEU 94 1HD2 LEU 94 0.123 8.156 4.190 763 HD22 LEU 94 2HD2 LEU 94 -1.253 8.401 3.088 764 HD23 LEU 94 3HD2 LEU 94 0.361 9.007 2.645 765 H SER 95 H SER 95 2.488 11.708 6.236 766 HA SER 95 HA SER 95 2.887 11.343 8.362 767 HB2 SER 95 1HB SER 95 2.372 14.147 7.914 768 HB3 SER 95 2HB SER 95 1.839 13.753 9.537 769 HG SER 95 HG SER 95 3.879 13.634 10.154 770 H GLY 96 H GLY 96 1.287 9.597 8.626 771 HA2 GLY 96 1HA GLY 96 -1.373 9.893 9.279 772 HA3 GLY 96 2HA GLY 96 -0.343 8.568 9.784 773 HA PRO 97 HA PRO 97 -1.298 11.567 13.292 774 HB2 PRO 97 1HB PRO 97 -3.889 11.093 14.021 775 HB3 PRO 97 2HB PRO 97 -3.406 12.457 13.032 776 HG2 PRO 97 1HG PRO 97 -4.768 9.964 12.214 777 HG3 PRO 97 2HG PRO 97 -4.660 11.489 11.356 778 HD2 PRO 97 1HD PRO 97 -3.174 9.098 10.803 779 HD3 PRO 97 2HD PRO 97 -2.983 10.655 10.022 780 H SER 98 H SER 98 0.324 9.893 13.847 781 HA SER 98 HA SER 98 0.980 8.165 15.014 782 HB2 SER 98 1HB SER 98 -0.836 9.751 16.731 783 HB3 SER 98 2HB SER 98 -0.586 8.118 17.316 784 HG SER 98 HG SER 98 1.275 8.827 18.085 785 H SER 99 H SER 99 0.376 6.379 13.682 786 HA SER 99 HA SER 99 -0.586 4.491 13.216 787 HB2 SER 99 1HB SER 99 -1.968 4.857 15.909 788 HB3 SER 99 2HB SER 99 -2.097 3.396 14.951 789 HG SER 99 HG SER 99 -0.328 2.817 16.022 790 H GLY 100 H GLY 100 -1.658 5.531 11.390 791 HA2 GLY 100 1HA GLY 100 -4.548 5.990 11.840 792 HA3 GLY 100 2HA GLY 100 -3.574 6.901 10.704 Start of MODEL 13 1 H1 GLY 1 H GLY 1 16.092 26.799 25.890 2 HA2 GLY 1 1HA GLY 1 17.347 24.715 27.524 3 HA3 GLY 1 2HA GLY 1 16.150 25.889 28.035 4 H SER 2 H SER 2 16.653 22.648 27.169 5 HA SER 2 HA SER 2 13.820 22.221 27.183 6 HB2 SER 2 1HB SER 2 13.896 20.754 25.143 7 HB3 SER 2 2HB SER 2 14.154 22.452 24.792 8 HG SER 2 HG SER 2 16.078 21.978 23.996 9 H SER 3 H SER 3 14.471 21.301 29.284 10 HA SER 3 HA SER 3 16.307 19.127 29.252 11 HB2 SER 3 1HB SER 3 15.355 20.908 31.183 12 HB3 SER 3 2HB SER 3 14.589 19.399 31.640 13 HG SER 3 HG SER 3 16.754 19.775 32.590 14 H GLY 4 H GLY 4 15.406 17.502 27.888 15 HA2 GLY 4 1HA GLY 4 14.263 15.379 28.353 16 HA3 GLY 4 2HA GLY 4 12.881 16.318 28.883 17 H SER 5 H SER 5 14.857 15.338 26.074 18 HA SER 5 HA SER 5 12.545 15.904 24.427 19 HB2 SER 5 1HB SER 5 14.459 17.741 24.347 20 HB3 SER 5 2HB SER 5 15.294 16.565 23.352 21 HG SER 5 HG SER 5 13.026 18.133 22.773 22 H SER 6 H SER 6 12.027 13.804 23.861 23 HA SER 6 HA SER 6 13.688 12.438 22.114 24 HB2 SER 6 1HB SER 6 14.474 10.573 23.385 25 HB3 SER 6 2HB SER 6 14.910 11.992 24.316 26 HG SER 6 HG SER 6 13.005 9.970 24.878 27 H GLY 7 H GLY 7 12.552 10.624 21.157 28 HA2 GLY 7 1HA GLY 7 10.171 9.567 22.316 29 HA3 GLY 7 2HA GLY 7 9.803 10.776 21.102 30 H ASN 8 H ASN 8 11.965 7.895 21.604 31 HA ASN 8 HA ASN 8 12.583 6.292 20.282 32 HB2 ASN 8 1HB ASN 8 9.799 6.532 19.892 33 HB3 ASN 8 2HB ASN 8 10.427 6.460 18.258 34 HD21 ASN 8 1HD2 ASN 8 11.248 4.615 17.452 35 HD22 ASN 8 2HD2 ASN 8 11.293 3.095 18.282 36 H LEU 9 H LEU 9 14.423 6.949 19.116 37 HA LEU 9 HA LEU 9 15.657 7.626 17.415 38 HB2 LEU 9 1HB LEU 9 13.094 7.771 15.823 39 HB3 LEU 9 2HB LEU 9 14.723 7.764 15.177 40 HG LEU 9 HG LEU 9 13.917 5.459 16.896 41 HD11 LEU 9 1HD1 LEU 9 12.510 6.227 14.437 42 HD12 LEU 9 2HD1 LEU 9 13.167 4.573 14.411 43 HD13 LEU 9 3HD1 LEU 9 12.059 5.070 15.712 44 HD21 LEU 9 1HD2 LEU 9 15.334 5.238 14.274 45 HD22 LEU 9 2HD2 LEU 9 16.193 5.969 15.651 46 HD23 LEU 9 3HD2 LEU 9 15.550 4.314 15.780 47 H SER 10 H SER 10 12.599 9.521 16.888 48 HA SER 10 HA SER 10 12.189 11.651 16.973 49 HB2 SER 10 1HB SER 10 13.186 11.515 19.279 50 HB3 SER 10 2HB SER 10 14.748 11.943 18.609 51 HG SER 10 HG SER 10 12.393 13.552 18.887 52 H ALA 11 H ALA 11 12.416 12.150 14.767 53 HA ALA 11 HA ALA 11 14.406 13.941 14.032 54 HB1 ALA 11 1HB ALA 11 16.033 12.220 13.993 55 HB2 ALA 11 2HB ALA 11 14.903 11.049 13.271 56 HB3 ALA 11 3HB ALA 11 15.532 12.398 12.294 57 H SER 12 H SER 12 12.262 14.848 13.521 58 HA SER 12 HA SER 12 10.729 15.442 12.106 59 HB2 SER 12 1HB SER 12 12.650 14.044 10.270 60 HB3 SER 12 2HB SER 12 11.061 14.405 9.626 61 HG SER 12 HG SER 12 13.154 16.163 10.379 62 H ASN 13 H ASN 13 11.395 12.182 10.650 63 HA ASN 13 HA ASN 13 8.923 11.401 10.190 64 HB2 ASN 13 1HB ASN 13 11.191 9.727 11.385 65 HB3 ASN 13 2HB ASN 13 9.734 9.013 10.723 66 HD21 ASN 13 1HD2 ASN 13 12.830 9.709 10.069 67 HD22 ASN 13 2HD2 ASN 13 12.805 9.877 8.345 68 H ARG 14 H ARG 14 7.173 10.382 11.378 69 HA ARG 14 HA ARG 14 7.534 9.775 14.118 70 HB2 ARG 14 1HB ARG 14 6.585 12.428 13.376 71 HB3 ARG 14 2HB ARG 14 5.293 11.567 14.189 72 HG2 ARG 14 1HG ARG 14 7.553 10.946 15.737 73 HG3 ARG 14 2HG ARG 14 7.822 12.618 15.288 74 HD2 ARG 14 1HD ARG 14 5.023 12.127 16.089 75 HD3 ARG 14 2HD ARG 14 6.154 11.709 17.361 76 HE ARG 14 HE ARG 14 6.673 14.308 16.075 77 HH11 ARG 14 2HH2 ARG 14 5.057 12.616 18.703 78 HH12 ARG 14 1HH2 ARG 14 4.917 14.028 19.697 79 HH21 ARG 14 2HH1 ARG 14 6.489 16.171 17.385 80 HH22 ARG 14 1HH1 ARG 14 5.737 16.064 18.942 81 H ALA 15 H ALA 15 6.603 7.737 13.806 82 HA ALA 15 HA ALA 15 5.041 6.207 13.477 83 HB1 ALA 15 1HB ALA 15 2.642 6.922 13.658 84 HB2 ALA 15 2HB ALA 15 3.667 7.542 14.975 85 HB3 ALA 15 3HB ALA 15 3.187 8.616 13.640 86 H LEU 16 H LEU 16 4.909 5.106 11.592 87 HA LEU 16 HA LEU 16 4.641 6.649 9.149 88 HB2 LEU 16 1HB LEU 16 5.152 3.695 9.496 89 HB3 LEU 16 2HB LEU 16 5.342 4.642 8.034 90 HG LEU 16 HG LEU 16 6.987 5.001 10.554 91 HD11 LEU 16 1HD1 LEU 16 8.580 4.115 8.388 92 HD12 LEU 16 2HD1 LEU 16 8.205 3.266 9.907 93 HD13 LEU 16 3HD1 LEU 16 7.170 3.033 8.477 94 HD21 LEU 16 1HD2 LEU 16 8.106 6.058 8.088 95 HD22 LEU 16 2HD2 LEU 16 6.541 6.807 8.485 96 HD23 LEU 16 3HD2 LEU 16 7.869 6.841 9.669 97 HA PRO 17 HA PRO 17 0.527 5.533 8.482 98 HB2 PRO 17 1HB PRO 17 0.358 5.456 5.756 99 HB3 PRO 17 2HB PRO 17 0.341 6.948 6.676 100 HG2 PRO 17 1HG PRO 17 2.532 5.790 5.063 101 HG3 PRO 17 2HG PRO 17 2.336 7.438 5.627 102 HD2 PRO 17 1HD PRO 17 4.090 5.447 6.718 103 HD3 PRO 17 2HD PRO 17 3.808 7.057 7.351 104 H VAL 18 H VAL 18 -1.075 3.985 7.452 105 HA VAL 18 HA VAL 18 0.294 1.386 7.386 106 HB VAL 18 HB VAL 18 -2.449 2.211 8.341 107 HG11 VAL 18 1HG1 VAL 18 -1.354 -0.612 8.108 108 HG12 VAL 18 2HG1 VAL 18 -2.936 -0.132 8.767 109 HG13 VAL 18 3HG1 VAL 18 -2.584 0.103 7.038 110 HG21 VAL 18 1HG2 VAL 18 -1.116 2.548 10.167 111 HG22 VAL 18 2HG2 VAL 18 -1.421 0.807 10.370 112 HG23 VAL 18 3HG2 VAL 18 0.104 1.364 9.639 113 H LEU 19 H LEU 19 0.546 0.707 5.319 114 HA LEU 19 HA LEU 19 -1.448 1.534 3.366 115 HB2 LEU 19 1HB LEU 19 0.954 1.895 2.934 116 HB3 LEU 19 2HB LEU 19 1.222 0.165 3.011 117 HG LEU 19 HG LEU 19 -0.652 0.160 1.106 118 HD11 LEU 19 1HD1 LEU 19 -0.929 2.647 1.276 119 HD12 LEU 19 2HD1 LEU 19 0.718 2.814 0.620 120 HD13 LEU 19 3HD1 LEU 19 -0.555 2.043 -0.356 121 HD21 LEU 19 1HD2 LEU 19 2.256 0.155 1.165 122 HD22 LEU 19 2HD2 LEU 19 1.125 -0.840 0.217 123 HD23 LEU 19 3HD2 LEU 19 1.619 0.762 -0.383 124 H THR 20 H THR 20 -3.215 0.263 3.196 125 HA THR 20 HA THR 20 -3.050 -2.516 3.965 126 HB THR 20 HB THR 20 -5.433 -1.096 2.715 127 HG1 THR 20 1HG THR 20 -4.444 -1.034 5.477 128 HG21 THR 20 1HG2 THR 20 -6.521 -2.350 4.719 129 HG22 THR 20 2HG2 THR 20 -5.956 -3.358 3.366 130 HG23 THR 20 3HG2 THR 20 -4.980 -3.231 4.849 131 H LEU 21 H LEU 21 -1.910 -3.789 2.593 132 HA LEU 21 HA LEU 21 -2.384 -3.446 -0.258 133 HB2 LEU 21 1HB LEU 21 -0.123 -3.583 0.151 134 HB3 LEU 21 2HB LEU 21 -0.303 -4.772 1.425 135 HG LEU 21 HG LEU 21 -0.686 -6.539 -0.150 136 HD11 LEU 21 1HD1 LEU 21 -1.966 -5.873 -1.900 137 HD12 LEU 21 2HD1 LEU 21 -1.142 -4.303 -2.059 138 HD13 LEU 21 3HD1 LEU 21 -0.376 -5.779 -2.695 139 HD21 LEU 21 1HD2 LEU 21 1.499 -5.475 -1.711 140 HD22 LEU 21 2HD2 LEU 21 1.702 -5.073 0.011 141 HD23 LEU 21 3HD2 LEU 21 1.495 -6.769 -0.489 142 H PHE 22 H PHE 22 -3.948 -4.580 -1.260 143 HA PHE 22 HA PHE 22 -4.877 -7.009 0.084 144 HB2 PHE 22 1HB PHE 22 -6.045 -5.059 -1.986 145 HB3 PHE 22 2HB PHE 22 -6.863 -6.545 -1.545 146 HD1 PHE 22 1HD PHE 22 -7.361 -6.863 0.997 147 HD2 PHE 22 2HD PHE 22 -6.483 -3.117 -0.793 148 HE1 PHE 22 1HE PHE 22 -8.462 -5.685 2.921 149 HE2 PHE 22 2HE PHE 22 -7.584 -1.939 1.131 150 HZ PHE 22 HZ PHE 22 -8.560 -3.238 2.965 151 H THR 23 H THR 23 -3.654 -8.707 -0.702 152 HA THR 23 HA THR 23 -3.547 -8.939 -3.639 153 HB THR 23 HB THR 23 -1.298 -8.577 -2.847 154 HG1 THR 23 1HG THR 23 -1.448 -10.449 -4.206 155 HG21 THR 23 1HG2 THR 23 -1.539 -8.928 -0.427 156 HG22 THR 23 2HG2 THR 23 -2.006 -10.626 -0.683 157 HG23 THR 23 3HG2 THR 23 -0.343 -10.097 -1.037 158 H LYS 24 H LYS 24 -3.148 -11.380 -4.256 159 HA LYS 24 HA LYS 24 -4.548 -13.181 -2.491 160 HB2 LYS 24 1HB LYS 24 -6.242 -13.781 -4.210 161 HB3 LYS 24 2HB LYS 24 -6.454 -12.177 -3.538 162 HG2 LYS 24 1HG LYS 24 -5.834 -11.105 -5.513 163 HG3 LYS 24 2HG LYS 24 -4.745 -12.388 -6.001 164 HD2 LYS 24 1HD LYS 24 -7.480 -13.402 -5.882 165 HD3 LYS 24 2HD LYS 24 -7.423 -11.962 -6.879 166 HE2 LYS 24 1HE LYS 24 -5.523 -12.960 -8.189 167 HE3 LYS 24 2HE LYS 24 -5.617 -14.407 -7.206 168 HZ1 LYS 24 1HZ LYS 24 -7.977 -13.422 -8.617 169 HZ2 LYS 24 2HZ LYS 24 -6.875 -14.349 -9.385 170 HZ3 LYS 24 3HZ LYS 24 -7.667 -14.933 -8.082 171 H ALA 25 H ALA 25 -4.913 -15.336 -4.133 172 HA ALA 25 HA ALA 25 -2.449 -15.638 -5.662 173 HB1 ALA 25 1HB ALA 25 -1.754 -17.585 -4.451 174 HB2 ALA 25 2HB ALA 25 -2.076 -16.326 -3.234 175 HB3 ALA 25 3HB ALA 25 -3.265 -17.622 -3.510 176 HA PRO 26 HA PRO 26 -1.700 -16.726 -6.911 177 HB2 PRO 26 1HB PRO 26 -1.575 -16.732 -9.641 178 HB3 PRO 26 2HB PRO 26 -1.272 -18.155 -8.664 179 HG2 PRO 26 1HG PRO 26 -3.655 -17.490 -10.283 180 HG3 PRO 26 2HG PRO 26 -3.152 -19.048 -9.659 181 HD2 PRO 26 1HD PRO 26 -5.233 -17.373 -8.616 182 HD3 PRO 26 2HD PRO 26 -4.652 -18.876 -7.926 183 H CYS 27 H CYS 27 -0.419 -14.929 -7.886 184 HA CYS 27 HA CYS 27 -2.091 -12.784 -8.826 185 HB2 CYS 27 1HB CYS 27 -1.382 -11.182 -7.099 186 HB3 CYS 27 2HB CYS 27 -2.348 -12.480 -6.425 187 HG CYS 27 HG CYS 27 -0.605 -12.190 -4.652 188 HA PRO 28 HA PRO 28 1.933 -12.815 -10.753 189 HB2 PRO 28 1HB PRO 28 1.126 -11.853 -13.180 190 HB3 PRO 28 2HB PRO 28 1.161 -13.561 -12.790 191 HG2 PRO 28 1HG PRO 28 -1.170 -11.754 -12.995 192 HG3 PRO 28 2HG PRO 28 -1.132 -13.506 -13.031 193 HD2 PRO 28 1HD PRO 28 -1.924 -11.851 -10.826 194 HD3 PRO 28 2HD PRO 28 -1.776 -13.597 -10.825 195 H LEU 29 H LEU 29 -0.375 -10.227 -10.587 196 HA LEU 29 HA LEU 29 1.658 -8.266 -11.128 197 HB2 LEU 29 1HB LEU 29 -1.242 -8.076 -10.315 198 HB3 LEU 29 2HB LEU 29 -0.213 -6.682 -10.578 199 HG LEU 29 HG LEU 29 -0.274 -6.868 -12.836 200 HD11 LEU 29 1HD1 LEU 29 -0.628 -9.872 -12.656 201 HD12 LEU 29 2HD1 LEU 29 -0.310 -8.915 -14.123 202 HD13 LEU 29 3HD1 LEU 29 0.928 -9.030 -12.849 203 HD21 LEU 29 1HD2 LEU 29 -2.539 -8.273 -13.405 204 HD22 LEU 29 2HD2 LEU 29 -2.757 -7.947 -11.669 205 HD23 LEU 29 3HD2 LEU 29 -2.502 -6.598 -12.803 206 H CYS 30 H CYS 30 -0.553 -8.867 -8.301 207 HA CYS 30 HA CYS 30 0.592 -7.279 -6.495 208 HB2 CYS 30 1HB CYS 30 -0.283 -10.117 -5.870 209 HB3 CYS 30 2HB CYS 30 -0.223 -8.766 -4.756 210 HG CYS 30 HG CYS 30 -2.159 -9.379 -7.339 211 H ASP 31 H ASP 31 1.740 -10.528 -7.578 212 HA ASP 31 HA ASP 31 3.680 -11.007 -5.795 213 HB2 ASP 31 1HB ASP 31 3.397 -12.659 -7.442 214 HB3 ASP 31 2HB ASP 31 3.406 -11.500 -8.756 215 H GLU 32 H GLU 32 3.882 -9.001 -8.824 216 HA GLU 32 HA GLU 32 6.564 -8.262 -8.298 217 HB2 GLU 32 1HB GLU 32 5.007 -8.322 -10.546 218 HB3 GLU 32 2HB GLU 32 4.916 -6.613 -10.168 219 HG2 GLU 32 1HG GLU 32 6.986 -6.313 -11.037 220 HG3 GLU 32 2HG GLU 32 7.654 -7.368 -9.807 221 H ALA 33 H ALA 33 3.332 -6.638 -8.078 222 HA ALA 33 HA ALA 33 3.953 -4.126 -7.453 223 HB1 ALA 33 1HB ALA 33 2.048 -5.264 -5.518 224 HB2 ALA 33 2HB ALA 33 1.791 -4.049 -6.794 225 HB3 ALA 33 3HB ALA 33 1.744 -5.783 -7.193 226 H LYS 34 H LYS 34 3.829 -6.790 -4.975 227 HA LYS 34 HA LYS 34 4.709 -5.380 -2.831 228 HB2 LYS 34 1HB LYS 34 5.235 -8.254 -3.627 229 HB3 LYS 34 2HB LYS 34 5.661 -7.602 -2.057 230 HG2 LYS 34 1HG LYS 34 3.462 -7.453 -1.360 231 HG3 LYS 34 2HG LYS 34 2.871 -7.016 -2.951 232 HD2 LYS 34 1HD LYS 34 2.279 -9.162 -3.381 233 HD3 LYS 34 2HD LYS 34 3.911 -9.719 -3.069 234 HE2 LYS 34 1HE LYS 34 1.864 -9.155 -0.872 235 HE3 LYS 34 2HE LYS 34 2.148 -10.745 -1.552 236 HZ1 LYS 34 1HZ LYS 34 4.409 -9.222 -0.533 237 HZ2 LYS 34 2HZ LYS 34 3.428 -9.991 0.522 238 HZ3 LYS 34 3HZ LYS 34 4.215 -10.841 -0.628 239 H GLU 35 H GLU 35 6.759 -7.042 -5.320 240 HA GLU 35 HA GLU 35 9.171 -6.405 -4.221 241 HB2 GLU 35 1HB GLU 35 8.596 -6.472 -7.211 242 HB3 GLU 35 2HB GLU 35 10.113 -6.849 -6.417 243 HG2 GLU 35 1HG GLU 35 8.479 -8.615 -5.118 244 HG3 GLU 35 2HG GLU 35 7.622 -8.502 -6.642 245 H VAL 36 H VAL 36 6.840 -4.360 -5.901 246 HA VAL 36 HA VAL 36 8.746 -2.294 -6.477 247 HB VAL 36 HB VAL 36 5.729 -2.165 -6.484 248 HG11 VAL 36 1HG1 VAL 36 5.924 -0.291 -7.854 249 HG12 VAL 36 2HG1 VAL 36 7.260 -0.067 -6.700 250 HG13 VAL 36 3HG1 VAL 36 7.591 -0.687 -8.336 251 HG21 VAL 36 1HG2 VAL 36 6.957 -4.091 -7.834 252 HG22 VAL 36 2HG2 VAL 36 5.605 -3.176 -8.544 253 HG23 VAL 36 3HG2 VAL 36 7.281 -2.763 -8.975 254 H LEU 37 H LEU 37 6.940 -3.398 -3.732 255 HA LEU 37 HA LEU 37 7.120 -0.759 -2.483 256 HB2 LEU 37 1HB LEU 37 5.583 -3.255 -1.770 257 HB3 LEU 37 2HB LEU 37 5.703 -1.861 -0.716 258 HG LEU 37 HG LEU 37 4.257 -2.146 -3.331 259 HD11 LEU 37 1HD1 LEU 37 3.550 -1.161 -0.564 260 HD12 LEU 37 2HD1 LEU 37 2.497 -0.919 -1.978 261 HD13 LEU 37 3HD1 LEU 37 2.903 -2.567 -1.443 262 HD21 LEU 37 1HD2 LEU 37 5.220 0.465 -2.138 263 HD22 LEU 37 2HD2 LEU 37 5.587 -0.199 -3.748 264 HD23 LEU 37 3HD2 LEU 37 3.933 0.331 -3.360 265 H GLN 38 H GLN 38 9.291 -2.955 -3.114 266 HA GLN 38 HA GLN 38 10.087 -3.975 -0.662 267 HB2 GLN 38 1HB GLN 38 11.167 -3.758 -3.391 268 HB3 GLN 38 2HB GLN 38 12.430 -3.670 -2.178 269 HG2 GLN 38 1HG GLN 38 10.758 -5.742 -1.253 270 HG3 GLN 38 2HG GLN 38 10.781 -5.971 -2.990 271 HE21 GLN 38 1HE2 GLN 38 13.357 -4.810 -3.444 272 HE22 GLN 38 2HE2 GLN 38 14.563 -5.907 -2.859 273 HA PRO 39 HA PRO 39 12.808 -0.092 -0.424 274 HB2 PRO 39 1HB PRO 39 12.377 1.980 -2.154 275 HB3 PRO 39 2HB PRO 39 13.603 0.754 -2.412 276 HG2 PRO 39 1HG PRO 39 10.990 1.075 -3.757 277 HG3 PRO 39 2HG PRO 39 12.384 0.147 -4.274 278 HD2 PRO 39 1HD PRO 39 9.976 -0.881 -3.102 279 HD3 PRO 39 2HD PRO 39 11.415 -1.794 -3.511 280 H TYR 40 H TYR 40 9.530 -0.276 -0.611 281 HA TYR 40 HA TYR 40 9.286 2.105 1.104 282 HB2 TYR 40 1HB TYR 40 7.279 0.618 -0.705 283 HB3 TYR 40 2HB TYR 40 6.901 2.062 0.211 284 HD1 TYR 40 2HD TYR 40 7.860 4.259 -0.452 285 HD2 TYR 40 1HD TYR 40 8.485 0.736 -2.797 286 HE1 TYR 40 2HE TYR 40 8.582 5.691 -2.425 287 HE2 TYR 40 1HE TYR 40 9.204 2.180 -4.762 288 HH TYR 40 HH TYR 40 9.609 4.175 -5.472 289 H LYS 41 H LYS 41 9.857 -0.986 1.531 290 HA LYS 41 HA LYS 41 7.554 -1.920 2.893 291 HB2 LYS 41 1HB LYS 41 8.883 -3.804 3.458 292 HB3 LYS 41 2HB LYS 41 9.330 -3.341 1.829 293 HG2 LYS 41 1HG LYS 41 11.485 -3.275 2.539 294 HG3 LYS 41 2HG LYS 41 11.072 -1.826 3.433 295 HD2 LYS 41 1HD LYS 41 10.510 -3.148 5.430 296 HD3 LYS 41 2HD LYS 41 10.718 -4.647 4.547 297 HE2 LYS 41 1HE LYS 41 13.161 -3.716 4.074 298 HE3 LYS 41 2HE LYS 41 12.837 -2.674 5.445 299 HZ1 LYS 41 1HZ LYS 41 13.612 -4.462 6.524 300 HZ2 LYS 41 2HZ LYS 41 12.063 -4.971 6.434 301 HZ3 LYS 41 3HZ LYS 41 13.171 -5.535 5.375 302 H ASP 42 H ASP 42 10.375 0.063 3.735 303 HA ASP 42 HA ASP 42 9.626 -0.120 6.525 304 HB2 ASP 42 1HB ASP 42 11.744 1.065 6.956 305 HB3 ASP 42 2HB ASP 42 12.027 -0.334 5.940 306 H ARG 43 H ARG 43 9.160 1.766 3.672 307 HA ARG 43 HA ARG 43 9.178 4.321 4.755 308 HB2 ARG 43 1HB ARG 43 7.801 3.080 2.336 309 HB3 ARG 43 2HB ARG 43 7.600 4.779 2.713 310 HG2 ARG 43 1HG ARG 43 10.324 3.441 2.369 311 HG3 ARG 43 2HG ARG 43 9.480 4.262 1.071 312 HD2 ARG 43 1HD ARG 43 10.693 6.077 1.818 313 HD3 ARG 43 2HD ARG 43 9.360 6.231 2.946 314 HE ARG 43 HE ARG 43 11.231 4.421 4.093 315 HH11 ARG 43 2HH2 ARG 43 11.037 7.822 3.209 316 HH12 ARG 43 1HH2 ARG 43 12.161 8.333 4.424 317 HH21 ARG 43 2HH1 ARG 43 12.714 5.095 5.696 318 HH22 ARG 43 1HH1 ARG 43 13.121 6.772 5.848 319 H PHE 44 H PHE 44 6.945 1.642 5.006 320 HA PHE 44 HA PHE 44 5.307 3.068 6.814 321 HB2 PHE 44 1HB PHE 44 3.210 2.657 5.309 322 HB3 PHE 44 2HB PHE 44 4.248 3.985 4.830 323 HD1 PHE 44 2HD PHE 44 4.064 0.295 4.235 324 HD2 PHE 44 1HD PHE 44 4.664 4.156 2.579 325 HE1 PHE 44 2HE PHE 44 4.314 -0.723 1.954 326 HE2 PHE 44 1HE PHE 44 4.914 3.138 0.298 327 HZ PHE 44 HZ PHE 44 4.735 0.711 0.013 328 H ILE 45 H ILE 45 3.130 1.567 7.130 329 HA ILE 45 HA ILE 45 4.252 -1.094 7.525 330 HB ILE 45 HB ILE 45 1.833 0.289 8.688 331 HG12 ILE 45 1HG1 ILE 45 4.277 -0.580 10.211 332 HG13 ILE 45 2HG1 ILE 45 4.286 0.938 9.334 333 HG21 ILE 45 1HG2 ILE 45 2.553 -2.016 10.179 334 HG22 ILE 45 2HG2 ILE 45 1.047 -1.693 9.288 335 HG23 ILE 45 3HG2 ILE 45 2.406 -2.505 8.474 336 HD11 ILE 45 1HD1 ILE 45 3.455 0.836 11.862 337 HD12 ILE 45 2HD1 ILE 45 2.648 1.905 10.691 338 HD13 ILE 45 3HD1 ILE 45 1.922 0.335 11.110 339 H LEU 46 H LEU 46 4.060 -2.251 5.639 340 HA LEU 46 HA LEU 46 1.744 -1.968 3.995 341 HB2 LEU 46 1HB LEU 46 4.018 -2.407 3.141 342 HB3 LEU 46 2HB LEU 46 3.995 -3.982 3.909 343 HG LEU 46 HG LEU 46 2.008 -4.577 2.488 344 HD11 LEU 46 1HD1 LEU 46 2.058 -3.001 0.314 345 HD12 LEU 46 2HD1 LEU 46 0.944 -2.752 1.680 346 HD13 LEU 46 3HD1 LEU 46 2.437 -1.790 1.561 347 HD21 LEU 46 1HD2 LEU 46 3.947 -4.007 0.406 348 HD22 LEU 46 2HD2 LEU 46 4.733 -4.595 1.891 349 HD23 LEU 46 3HD2 LEU 46 3.455 -5.562 1.117 350 H GLN 47 H GLN 47 -0.196 -2.663 4.749 351 HA GLN 47 HA GLN 47 -0.204 -5.054 6.371 352 HB2 GLN 47 1HB GLN 47 -1.517 -2.772 6.783 353 HB3 GLN 47 2HB GLN 47 -2.690 -3.479 5.691 354 HG2 GLN 47 1HG GLN 47 -2.544 -5.604 7.207 355 HG3 GLN 47 2HG GLN 47 -1.738 -4.568 8.367 356 HE21 GLN 47 1HE2 GLN 47 -3.135 -4.172 9.914 357 HE22 GLN 47 2HE2 GLN 47 -4.754 -3.587 9.731 358 H GLU 48 H GLU 48 -0.017 -6.855 5.044 359 HA GLU 48 HA GLU 48 -1.365 -6.902 2.543 360 HB2 GLU 48 1HB GLU 48 0.599 -8.564 4.001 361 HB3 GLU 48 2HB GLU 48 -0.537 -9.513 3.063 362 HG2 GLU 48 1HG GLU 48 0.173 -8.621 1.021 363 HG3 GLU 48 2HG GLU 48 0.660 -7.093 1.729 364 H VAL 49 H VAL 49 -3.594 -6.965 2.638 365 HA VAL 49 HA VAL 49 -4.841 -8.648 4.646 366 HB VAL 49 HB VAL 49 -5.918 -6.702 2.599 367 HG11 VAL 49 1HG1 VAL 49 -7.968 -7.024 4.328 368 HG12 VAL 49 2HG1 VAL 49 -7.801 -7.954 2.820 369 HG13 VAL 49 3HG1 VAL 49 -7.281 -8.666 4.366 370 HG21 VAL 49 1HG2 VAL 49 -6.077 -5.128 4.285 371 HG22 VAL 49 2HG2 VAL 49 -6.095 -6.352 5.577 372 HG23 VAL 49 3HG2 VAL 49 -4.574 -5.968 4.736 373 H ASP 50 H ASP 50 -5.990 -10.534 4.213 374 HA ASP 50 HA ASP 50 -5.434 -11.631 1.601 375 HB2 ASP 50 1HB ASP 50 -6.174 -12.726 4.310 376 HB3 ASP 50 2HB ASP 50 -6.617 -13.682 2.910 377 H ILE 51 H ILE 51 -7.060 -11.013 0.132 378 HA ILE 51 HA ILE 51 -9.777 -10.744 1.065 379 HB ILE 51 HB ILE 51 -10.204 -10.014 -1.247 380 HG12 ILE 51 1HG1 ILE 51 -7.241 -10.149 -1.777 381 HG13 ILE 51 2HG1 ILE 51 -8.277 -11.512 -2.149 382 HG21 ILE 51 1HG2 ILE 51 -7.792 -8.496 -0.322 383 HG22 ILE 51 2HG2 ILE 51 -9.358 -7.901 -0.922 384 HG23 ILE 51 3HG2 ILE 51 -9.233 -8.577 0.720 385 HD11 ILE 51 1HD1 ILE 51 -9.729 -9.391 -3.207 386 HD12 ILE 51 2HD1 ILE 51 -8.046 -8.899 -3.512 387 HD13 ILE 51 3HD1 ILE 51 -8.645 -10.455 -4.135 388 H THR 52 H THR 52 -7.741 -13.269 0.023 389 HA THR 52 HA THR 52 -9.710 -14.737 -1.460 390 HB THR 52 HB THR 52 -7.918 -16.503 -1.339 391 HG1 THR 52 1HG THR 52 -6.792 -16.233 0.559 392 HG21 THR 52 1HG2 THR 52 -6.812 -15.371 -2.984 393 HG22 THR 52 2HG2 THR 52 -7.597 -13.861 -2.462 394 HG23 THR 52 3HG2 THR 52 -6.038 -14.345 -1.752 395 H LEU 53 H LEU 53 -9.460 -13.918 1.792 396 HA LEU 53 HA LEU 53 -10.333 -16.474 2.800 397 HB2 LEU 53 1HB LEU 53 -9.779 -13.777 4.007 398 HB3 LEU 53 2HB LEU 53 -10.595 -15.030 4.921 399 HG LEU 53 HG LEU 53 -7.869 -15.376 3.646 400 HD11 LEU 53 1HD1 LEU 53 -6.836 -14.534 5.454 401 HD12 LEU 53 2HD1 LEU 53 -8.370 -13.665 5.700 402 HD13 LEU 53 3HD1 LEU 53 -8.051 -15.177 6.584 403 HD21 LEU 53 1HD2 LEU 53 -9.677 -17.274 4.611 404 HD22 LEU 53 2HD2 LEU 53 -7.945 -17.507 4.270 405 HD23 LEU 53 3HD2 LEU 53 -8.480 -17.077 5.913 406 HA PRO 54 HA PRO 54 -14.569 -15.706 2.520 407 HB2 PRO 54 1HB PRO 54 -15.584 -16.984 4.712 408 HB3 PRO 54 2HB PRO 54 -15.102 -17.823 3.252 409 HG2 PRO 54 1HG PRO 54 -13.708 -17.684 5.855 410 HG3 PRO 54 2HG PRO 54 -13.482 -18.830 4.548 411 HD2 PRO 54 1HD PRO 54 -11.780 -16.616 5.204 412 HD3 PRO 54 2HD PRO 54 -11.618 -17.692 3.830 413 H GLU 55 H GLU 55 -13.198 -14.916 5.636 414 HA GLU 55 HA GLU 55 -15.374 -13.265 6.323 415 HB2 GLU 55 1HB GLU 55 -13.911 -12.537 8.194 416 HB3 GLU 55 2HB GLU 55 -13.948 -14.282 8.041 417 HG2 GLU 55 1HG GLU 55 -11.789 -14.249 6.814 418 HG3 GLU 55 2HG GLU 55 -11.762 -12.498 6.868 419 H ASN 56 H ASN 56 -12.546 -12.915 4.301 420 HA ASN 56 HA ASN 56 -12.829 -10.025 4.403 421 HB2 ASN 56 1HB ASN 56 -10.640 -11.817 3.227 422 HB3 ASN 56 2HB ASN 56 -10.640 -10.071 3.079 423 HD21 ASN 56 1HD2 ASN 56 -8.852 -12.030 4.450 424 HD22 ASN 56 2HD2 ASN 56 -8.688 -11.475 6.082 425 H SER 57 H SER 57 -14.090 -12.655 2.812 426 HA SER 57 HA SER 57 -13.695 -12.418 0.183 427 HB2 SER 57 1HB SER 57 -15.145 -14.141 0.870 428 HB3 SER 57 2HB SER 57 -16.149 -13.063 1.819 429 HG SER 57 HG SER 57 -16.342 -13.760 -0.868 430 H THR 58 H THR 58 -15.310 -10.123 2.327 431 HA THR 58 HA THR 58 -16.799 -8.734 0.375 432 HB THR 58 HB THR 58 -15.734 -8.157 3.171 433 HG1 THR 58 1HG THR 58 -18.306 -8.484 1.790 434 HG21 THR 58 1HG2 THR 58 -17.097 -6.112 3.200 435 HG22 THR 58 2HG2 THR 58 -15.911 -5.966 1.881 436 HG23 THR 58 3HG2 THR 58 -17.603 -6.383 1.515 437 H TRP 59 H TRP 59 -13.458 -8.301 1.667 438 HA TRP 59 HA TRP 59 -12.932 -5.946 0.264 439 HB2 TRP 59 1HB TRP 59 -11.278 -8.083 1.546 440 HB3 TRP 59 2HB TRP 59 -10.492 -6.903 0.515 441 HD1 TRP 59 HD TRP 59 -11.492 -7.334 4.041 442 HE1 TRP 59 1HE TRP 59 -11.394 -5.106 5.452 443 HE3 TRP 59 3HE TRP 59 -11.131 -4.205 0.050 444 HZ2 TRP 59 2HZ TRP 59 -11.182 -2.347 4.755 445 HZ3 TRP 59 3HZ TRP 59 -10.983 -1.758 0.502 446 HH2 TRP 59 HH TRP 59 -11.004 -0.817 2.758 447 H TYR 60 H TYR 60 -13.112 -9.358 -0.657 448 HA TYR 60 HA TYR 60 -11.676 -8.956 -3.124 449 HB2 TYR 60 1HB TYR 60 -11.832 -11.075 -1.613 450 HB3 TYR 60 2HB TYR 60 -13.507 -11.216 -2.109 451 HD1 TYR 60 2HD TYR 60 -14.076 -11.788 -4.464 452 HD2 TYR 60 1HD TYR 60 -10.028 -11.729 -3.079 453 HE1 TYR 60 2HE TYR 60 -13.354 -13.133 -6.497 454 HE2 TYR 60 1HE TYR 60 -9.320 -13.074 -5.117 455 HH TYR 60 HH TYR 60 -9.930 -13.930 -7.007 456 H GLU 61 H GLU 61 -15.088 -9.753 -2.152 457 HA GLU 61 HA GLU 61 -16.155 -9.793 -4.642 458 HB2 GLU 61 1HB GLU 61 -17.322 -8.901 -1.980 459 HB3 GLU 61 2HB GLU 61 -18.305 -8.999 -3.427 460 HG2 GLU 61 1HG GLU 61 -17.982 -11.364 -3.634 461 HG3 GLU 61 2HG GLU 61 -16.606 -11.362 -2.549 462 H ARG 62 H ARG 62 -14.835 -7.080 -2.896 463 HA ARG 62 HA ARG 62 -16.249 -5.237 -4.622 464 HB2 ARG 62 1HB ARG 62 -15.505 -3.484 -3.106 465 HB3 ARG 62 2HB ARG 62 -16.098 -4.806 -2.121 466 HG2 ARG 62 1HG ARG 62 -13.804 -5.604 -1.713 467 HG3 ARG 62 2HG ARG 62 -13.152 -4.421 -2.829 468 HD2 ARG 62 1HD ARG 62 -14.439 -3.920 -0.117 469 HD3 ARG 62 2HD ARG 62 -12.824 -3.486 -0.640 470 HE ARG 62 HE ARG 62 -14.352 -2.075 -2.414 471 HH11 ARG 62 2HH2 ARG 62 -14.526 -2.384 1.087 472 HH12 ARG 62 1HH2 ARG 62 -15.196 -0.804 1.321 473 HH21 ARG 62 2HH1 ARG 62 -15.236 0.009 -2.106 474 HH22 ARG 62 1HH1 ARG 62 -15.602 0.566 -0.508 475 H TYR 63 H TYR 63 -13.042 -6.596 -3.851 476 HA TYR 63 HA TYR 63 -11.985 -5.225 -6.218 477 HB2 TYR 63 1HB TYR 63 -10.773 -5.631 -3.413 478 HB3 TYR 63 2HB TYR 63 -9.829 -5.071 -4.780 479 HD1 TYR 63 2HD TYR 63 -11.663 -3.139 -6.068 480 HD2 TYR 63 1HD TYR 63 -10.858 -3.833 -1.923 481 HE1 TYR 63 2HE TYR 63 -12.318 -0.741 -5.531 482 HE2 TYR 63 1HE TYR 63 -11.516 -1.433 -1.401 483 HH TYR 63 HH TYR 63 -11.475 0.858 -3.120 484 H LYS 64 H LYS 64 -12.601 -7.394 -7.155 485 HA LYS 64 HA LYS 64 -10.585 -9.405 -6.428 486 HB2 LYS 64 1HB LYS 64 -12.155 -11.089 -7.257 487 HB3 LYS 64 2HB LYS 64 -12.847 -10.160 -5.943 488 HG2 LYS 64 1HG LYS 64 -13.961 -8.669 -7.702 489 HG3 LYS 64 2HG LYS 64 -13.406 -9.797 -8.922 490 HD2 LYS 64 1HD LYS 64 -14.905 -11.449 -8.289 491 HD3 LYS 64 2HD LYS 64 -14.842 -11.015 -6.593 492 HE2 LYS 64 1HE LYS 64 -16.023 -8.756 -7.606 493 HE3 LYS 64 2HE LYS 64 -16.599 -9.938 -8.766 494 HZ1 LYS 64 1HZ LYS 64 -18.018 -10.640 -7.261 495 HZ2 LYS 64 2HZ LYS 64 -16.823 -11.019 -6.215 496 HZ3 LYS 64 3HZ LYS 64 -17.492 -9.530 -6.186 497 H PHE 65 H PHE 65 -11.421 -7.009 -8.655 498 HA PHE 65 HA PHE 65 -9.756 -8.326 -10.667 499 HB2 PHE 65 1HB PHE 65 -11.461 -6.871 -12.214 500 HB3 PHE 65 2HB PHE 65 -11.840 -8.518 -11.753 501 HD1 PHE 65 1HD PHE 65 -12.295 -5.019 -10.543 502 HD2 PHE 65 2HD PHE 65 -13.869 -8.955 -10.726 503 HE1 PHE 65 1HE PHE 65 -14.409 -4.225 -9.448 504 HE2 PHE 65 2HE PHE 65 -15.983 -8.161 -9.631 505 HZ PHE 65 HZ PHE 65 -16.228 -5.805 -9.005 506 H ASP 66 H ASP 66 -9.738 -6.021 -8.455 507 HA ASP 66 HA ASP 66 -8.792 -3.961 -10.284 508 HB2 ASP 66 1HB ASP 66 -9.251 -3.464 -7.341 509 HB3 ASP 66 2HB ASP 66 -9.379 -2.337 -8.677 510 H ILE 67 H ILE 67 -8.188 -5.786 -7.214 511 HA ILE 67 HA ILE 67 -5.942 -4.763 -6.246 512 HB ILE 67 HB ILE 67 -5.244 -7.197 -5.822 513 HG12 ILE 67 1HG1 ILE 67 -7.754 -7.583 -7.433 514 HG13 ILE 67 2HG1 ILE 67 -6.222 -8.425 -7.549 515 HG21 ILE 67 1HG2 ILE 67 -6.526 -5.674 -4.289 516 HG22 ILE 67 2HG2 ILE 67 -8.022 -6.389 -4.936 517 HG23 ILE 67 3HG2 ILE 67 -6.848 -7.412 -4.074 518 HD11 ILE 67 1HD1 ILE 67 -8.450 -8.798 -5.553 519 HD12 ILE 67 2HD1 ILE 67 -7.495 -10.022 -6.424 520 HD13 ILE 67 3HD1 ILE 67 -6.783 -9.155 -5.042 521 HA PRO 68 HA PRO 68 -4.121 -5.650 -5.488 522 HB2 PRO 68 1HB PRO 68 -1.688 -4.443 -5.184 523 HB3 PRO 68 2HB PRO 68 -1.887 -6.179 -5.315 524 HG2 PRO 68 1HG PRO 68 -0.889 -4.270 -7.340 525 HG3 PRO 68 2HG PRO 68 -0.702 -6.012 -7.286 526 HD2 PRO 68 1HD PRO 68 -2.511 -4.530 -8.947 527 HD3 PRO 68 2HD PRO 68 -2.404 -6.274 -8.809 528 H VAL 69 H VAL 69 -5.115 -4.288 -4.126 529 HA VAL 69 HA VAL 69 -5.224 -1.534 -5.119 530 HB VAL 69 HB VAL 69 -7.024 -3.105 -3.265 531 HG11 VAL 69 1HG1 VAL 69 -7.430 -0.274 -4.282 532 HG12 VAL 69 2HG1 VAL 69 -8.459 -1.178 -3.145 533 HG13 VAL 69 3HG1 VAL 69 -6.822 -0.678 -2.658 534 HG21 VAL 69 1HG2 VAL 69 -6.996 -2.594 -6.163 535 HG22 VAL 69 2HG2 VAL 69 -7.845 -3.845 -5.224 536 HG23 VAL 69 3HG2 VAL 69 -8.548 -2.217 -5.377 537 H PHE 70 H PHE 70 -4.099 0.019 -4.065 538 HA PHE 70 HA PHE 70 -3.038 -0.704 -1.435 539 HB2 PHE 70 1HB PHE 70 -2.297 1.427 -3.530 540 HB3 PHE 70 2HB PHE 70 -1.422 1.188 -2.031 541 HD1 PHE 70 2HD PHE 70 -2.096 -0.172 -5.359 542 HD2 PHE 70 1HD PHE 70 0.048 -0.723 -1.739 543 HE1 PHE 70 2HE PHE 70 -0.625 -1.864 -6.488 544 HE2 PHE 70 1HE PHE 70 1.519 -2.415 -2.868 545 HZ PHE 70 HZ PHE 70 1.165 -2.965 -5.229 546 H HIS 71 H HIS 71 -3.868 0.271 0.350 547 HA HIS 71 HA HIS 71 -5.301 2.788 -0.101 548 HB2 HIS 71 1HB HIS 71 -5.858 0.546 1.856 549 HB3 HIS 71 2HB HIS 71 -6.616 2.123 1.953 550 HD1 HIS 71 1HD HIS 71 -8.720 0.231 1.631 551 HD2 HIS 71 2HD HIS 71 -6.473 1.373 -1.722 552 HE1 HIS 71 1HE HIS 71 -10.139 -0.346 -0.410 553 H LEU 72 H LEU 72 -4.366 4.551 0.799 554 HA LEU 72 HA LEU 72 -2.460 4.051 2.975 555 HB2 LEU 72 1HB LEU 72 -2.126 5.332 0.523 556 HB3 LEU 72 2HB LEU 72 -2.272 6.642 1.678 557 HG LEU 72 HG LEU 72 -0.189 4.475 1.529 558 HD11 LEU 72 1HD1 LEU 72 1.202 6.665 2.008 559 HD12 LEU 72 2HD1 LEU 72 0.612 6.281 0.373 560 HD13 LEU 72 3HD1 LEU 72 -0.260 7.461 1.379 561 HD21 LEU 72 1HD2 LEU 72 -0.295 4.235 3.754 562 HD22 LEU 72 2HD2 LEU 72 0.499 5.827 3.801 563 HD23 LEU 72 3HD2 LEU 72 -1.268 5.709 3.972 564 H ASN 73 H ASN 73 -3.169 4.589 4.961 565 HA ASN 73 HA ASN 73 -4.155 5.655 6.573 566 HB2 ASN 73 1HB ASN 73 -3.936 7.772 4.506 567 HB3 ASN 73 2HB ASN 73 -5.275 8.047 5.603 568 HD21 ASN 73 1HD2 ASN 73 -1.821 7.306 5.446 569 HD22 ASN 73 2HD2 ASN 73 -1.351 8.076 6.924 570 H GLY 74 H GLY 74 -5.651 3.726 5.185 571 HA2 GLY 74 1HA GLY 74 -7.736 2.976 4.814 572 HA3 GLY 74 2HA GLY 74 -8.272 4.213 5.935 573 H GLN 75 H GLN 75 -6.539 4.955 2.891 574 HA GLN 75 HA GLN 75 -9.057 5.681 1.668 575 HB2 GLN 75 1HB GLN 75 -7.418 7.604 2.921 576 HB3 GLN 75 2HB GLN 75 -7.045 7.767 1.217 577 HG2 GLN 75 1HG GLN 75 -9.135 8.571 0.694 578 HG3 GLN 75 2HG GLN 75 -9.948 7.466 1.784 579 HE21 GLN 75 1HE2 GLN 75 -11.264 9.254 2.377 580 HE22 GLN 75 2HE2 GLN 75 -10.734 10.417 3.545 581 H PHE 76 H PHE 76 -9.035 4.602 -0.254 582 HA PHE 76 HA PHE 76 -7.071 3.275 -1.416 583 HB2 PHE 76 1HB PHE 76 -9.051 3.124 -2.649 584 HB3 PHE 76 2HB PHE 76 -9.506 4.772 -2.264 585 HD1 PHE 76 2HD PHE 76 -7.232 2.809 -4.458 586 HD2 PHE 76 1HD PHE 76 -9.366 6.433 -3.894 587 HE1 PHE 76 2HE PHE 76 -6.648 3.517 -6.795 588 HE2 PHE 76 1HE PHE 76 -8.782 7.141 -6.230 589 HZ PHE 76 HZ PHE 76 -7.430 5.674 -7.653 590 H LEU 77 H LEU 77 -4.965 3.832 -1.757 591 HA LEU 77 HA LEU 77 -4.345 6.553 -2.506 592 HB2 LEU 77 1HB LEU 77 -2.614 6.089 -1.227 593 HB3 LEU 77 2HB LEU 77 -3.039 4.391 -1.160 594 HG LEU 77 HG LEU 77 -1.880 4.245 -3.493 595 HD11 LEU 77 1HD1 LEU 77 -1.546 6.501 -4.059 596 HD12 LEU 77 2HD1 LEU 77 -0.875 6.897 -2.459 597 HD13 LEU 77 3HD1 LEU 77 0.062 5.896 -3.594 598 HD21 LEU 77 1HD2 LEU 77 -0.635 3.011 -2.115 599 HD22 LEU 77 2HD2 LEU 77 0.416 4.441 -1.969 600 HD23 LEU 77 3HD2 LEU 77 -0.855 4.143 -0.759 601 H MET 78 H MET 78 -4.171 3.217 -3.874 602 HA MET 78 HA MET 78 -4.689 4.094 -6.433 603 HB2 MET 78 1HB MET 78 -2.531 4.046 -7.517 604 HB3 MET 78 2HB MET 78 -2.283 5.011 -6.075 605 HG2 MET 78 1HG MET 78 -1.478 2.903 -4.885 606 HG3 MET 78 2HG MET 78 -1.585 2.055 -6.415 607 HE1 MET 78 1HE MET 78 2.245 2.854 -5.542 608 HE2 MET 78 2HE MET 78 1.084 3.261 -4.255 609 HE3 MET 78 3HE MET 78 0.892 1.754 -5.183 610 H MET 79 H MET 79 -4.745 2.299 -7.989 611 HA MET 79 HA MET 79 -3.962 -0.267 -6.951 612 HB2 MET 79 1HB MET 79 -6.295 -1.191 -7.384 613 HB3 MET 79 2HB MET 79 -6.244 -0.051 -6.053 614 HG2 MET 79 1HG MET 79 -7.091 1.758 -7.494 615 HG3 MET 79 2HG MET 79 -6.986 0.734 -8.912 616 HE1 MET 79 1HE MET 79 -9.798 2.032 -8.495 617 HE2 MET 79 2HE MET 79 -10.729 1.453 -7.093 618 HE3 MET 79 3HE MET 79 -9.214 2.354 -6.845 619 H HIS 80 H HIS 80 -4.227 -2.024 -8.651 620 HA HIS 80 HA HIS 80 -4.333 -2.757 -10.758 621 HB2 HIS 80 1HB HIS 80 -4.562 0.074 -11.790 622 HB3 HIS 80 2HB HIS 80 -4.950 -1.414 -12.631 623 HD1 HIS 80 1HD HIS 80 -7.253 0.263 -12.804 624 HD2 HIS 80 2HD HIS 80 -6.509 -1.836 -9.249 625 HE1 HIS 80 1HE HIS 80 -9.477 0.154 -11.559 626 H ARG 81 H ARG 81 -2.094 -1.183 -9.088 627 HA ARG 81 HA ARG 81 0.039 -2.147 -10.327 628 HB2 ARG 81 1HB ARG 81 1.004 0.002 -11.461 629 HB3 ARG 81 2HB ARG 81 -0.180 -0.929 -12.357 630 HG2 ARG 81 1HG ARG 81 -1.760 0.825 -10.834 631 HG3 ARG 81 2HG ARG 81 -0.381 1.811 -11.277 632 HD2 ARG 81 1HD ARG 81 -0.773 1.542 -13.614 633 HD3 ARG 81 2HD ARG 81 -1.758 0.111 -13.383 634 HE ARG 81 HE ARG 81 -3.043 2.260 -12.025 635 HH11 ARG 81 2HH2 ARG 81 -2.252 1.289 -15.314 636 HH12 ARG 81 1HH2 ARG 81 -3.596 2.124 -16.020 637 HH21 ARG 81 2HH1 ARG 81 -4.816 3.362 -12.956 638 HH22 ARG 81 1HH1 ARG 81 -5.064 3.311 -14.669 639 H VAL 82 H VAL 82 2.114 -0.366 -9.921 640 HA VAL 82 HA VAL 82 1.546 0.844 -7.309 641 HB VAL 82 HB VAL 82 3.996 -0.772 -8.037 642 HG11 VAL 82 1HG1 VAL 82 3.425 -0.286 -5.204 643 HG12 VAL 82 2HG1 VAL 82 4.937 -0.082 -6.122 644 HG13 VAL 82 3HG1 VAL 82 3.712 1.210 -6.125 645 HG21 VAL 82 1HG2 VAL 82 2.589 -2.522 -7.738 646 HG22 VAL 82 2HG2 VAL 82 2.834 -2.157 -6.014 647 HG23 VAL 82 3HG2 VAL 82 1.389 -1.548 -6.856 648 H ASN 83 H ASN 83 1.306 2.842 -8.564 649 HA ASN 83 HA ASN 83 3.544 3.709 -10.078 650 HB2 ASN 83 1HB ASN 83 0.797 4.626 -9.493 651 HB3 ASN 83 2HB ASN 83 1.931 5.962 -9.497 652 HD21 ASN 83 1HD2 ASN 83 3.372 6.187 -11.339 653 HD22 ASN 83 2HD2 ASN 83 2.832 5.736 -12.921 654 H THR 84 H THR 84 5.242 3.591 -8.373 655 HA THR 84 HA THR 84 5.254 4.563 -5.880 656 HB THR 84 HB THR 84 7.708 5.147 -6.411 657 HG1 THR 84 1HG THR 84 7.875 5.610 -8.573 658 HG21 THR 84 1HG2 THR 84 6.745 2.701 -6.057 659 HG22 THR 84 2HG2 THR 84 6.957 2.561 -7.819 660 HG23 THR 84 3HG2 THR 84 8.361 2.894 -6.777 661 H SER 85 H SER 85 5.862 6.637 -8.795 662 HA SER 85 HA SER 85 6.305 8.973 -7.706 663 HB2 SER 85 1HB SER 85 5.215 8.057 -10.169 664 HB3 SER 85 2HB SER 85 4.165 9.360 -9.648 665 HG SER 85 HG SER 85 6.589 10.301 -9.177 666 H LYS 86 H LYS 86 3.133 7.287 -7.726 667 HA LYS 86 HA LYS 86 1.753 9.504 -6.564 668 HB2 LYS 86 1HB LYS 86 1.024 7.238 -7.969 669 HB3 LYS 86 2HB LYS 86 0.511 6.851 -6.339 670 HG2 LYS 86 1HG LYS 86 -1.098 8.504 -6.299 671 HG3 LYS 86 2HG LYS 86 -0.116 9.635 -7.209 672 HD2 LYS 86 1HD LYS 86 -1.658 9.164 -8.861 673 HD3 LYS 86 2HD LYS 86 -0.554 7.842 -9.186 674 HE2 LYS 86 1HE LYS 86 -2.187 6.341 -8.721 675 HE3 LYS 86 2HE LYS 86 -2.315 6.966 -7.088 676 HZ1 LYS 86 1HZ LYS 86 -4.384 7.305 -8.008 677 HZ2 LYS 86 2HZ LYS 86 -3.699 8.781 -8.152 678 HZ3 LYS 86 3HZ LYS 86 -3.809 7.801 -9.454 679 H LEU 87 H LEU 87 2.616 6.180 -5.360 680 HA LEU 87 HA LEU 87 1.882 6.449 -2.785 681 HB2 LEU 87 1HB LEU 87 2.632 4.371 -3.339 682 HB3 LEU 87 2HB LEU 87 4.043 4.968 -4.189 683 HG LEU 87 HG LEU 87 5.138 5.477 -2.042 684 HD11 LEU 87 1HD1 LEU 87 4.218 4.994 0.064 685 HD12 LEU 87 2HD1 LEU 87 2.924 5.835 -0.823 686 HD13 LEU 87 3HD1 LEU 87 2.871 4.065 -0.637 687 HD21 LEU 87 1HD2 LEU 87 5.755 3.270 -1.505 688 HD22 LEU 87 2HD2 LEU 87 4.168 2.618 -1.982 689 HD23 LEU 87 3HD2 LEU 87 5.291 3.226 -3.223 690 H GLU 88 H GLU 88 5.252 7.186 -3.946 691 HA GLU 88 HA GLU 88 6.216 8.248 -1.698 692 HB2 GLU 88 1HB GLU 88 6.721 9.548 -4.401 693 HB3 GLU 88 2HB GLU 88 7.835 9.406 -3.056 694 HG2 GLU 88 1HG GLU 88 7.270 6.759 -3.452 695 HG3 GLU 88 2HG GLU 88 7.031 7.352 -5.084 696 H LYS 89 H LYS 89 4.509 10.153 -4.290 697 HA LYS 89 HA LYS 89 4.540 12.599 -3.133 698 HB2 LYS 89 1HB LYS 89 3.541 11.727 -5.381 699 HB3 LYS 89 2HB LYS 89 2.047 11.576 -4.478 700 HG2 LYS 89 1HG LYS 89 3.632 14.157 -4.330 701 HG3 LYS 89 2HG LYS 89 2.613 13.847 -5.721 702 HD2 LYS 89 1HD LYS 89 0.974 13.169 -3.532 703 HD3 LYS 89 2HD LYS 89 1.847 14.581 -2.972 704 HE2 LYS 89 1HE LYS 89 0.257 15.774 -4.102 705 HE3 LYS 89 2HE LYS 89 1.183 15.372 -5.534 706 HZ1 LYS 89 1HZ LYS 89 -0.547 13.266 -4.803 707 HZ2 LYS 89 2HZ LYS 89 -1.380 14.652 -5.025 708 HZ3 LYS 89 3HZ LYS 89 -0.437 14.066 -6.223 709 H GLN 90 H GLN 90 2.008 10.045 -2.603 710 HA GLN 90 HA GLN 90 0.547 11.440 -0.777 711 HB2 GLN 90 1HB GLN 90 1.034 8.497 -1.258 712 HB3 GLN 90 2HB GLN 90 0.077 8.982 0.127 713 HG2 GLN 90 1HG GLN 90 -1.469 8.631 -1.696 714 HG3 GLN 90 2HG GLN 90 -1.377 10.363 -1.441 715 HE21 GLN 90 1HE2 GLN 90 -0.258 11.677 -2.881 716 HE22 GLN 90 2HE2 GLN 90 0.141 11.180 -4.492 717 H LEU 91 H LEU 91 3.201 9.039 -0.107 718 HA LEU 91 HA LEU 91 3.294 9.068 2.557 719 HB2 LEU 91 1HB LEU 91 5.512 9.118 0.528 720 HB3 LEU 91 2HB LEU 91 5.851 8.985 2.242 721 HG LEU 91 HG LEU 91 3.924 7.069 0.956 722 HD11 LEU 91 1HD1 LEU 91 6.905 7.119 0.623 723 HD12 LEU 91 2HD1 LEU 91 6.050 5.562 0.745 724 HD13 LEU 91 3HD1 LEU 91 5.630 6.709 -0.550 725 HD21 LEU 91 1HD2 LEU 91 3.919 6.187 2.988 726 HD22 LEU 91 2HD2 LEU 91 5.666 5.871 2.856 727 HD23 LEU 91 3HD2 LEU 91 5.089 7.409 3.541 728 H ARG 92 H ARG 92 5.090 11.507 0.539 729 HA ARG 92 HA ARG 92 6.080 13.056 2.402 730 HB2 ARG 92 1HB ARG 92 4.857 13.602 -0.274 731 HB3 ARG 92 2HB ARG 92 5.082 15.019 0.733 732 HG2 ARG 92 1HG ARG 92 7.510 14.091 1.126 733 HG3 ARG 92 2HG ARG 92 7.191 13.071 -0.264 734 HD2 ARG 92 1HD ARG 92 7.115 14.875 -1.757 735 HD3 ARG 92 2HD ARG 92 6.567 16.007 -0.537 736 HE ARG 92 HE ARG 92 8.801 16.415 0.086 737 HH11 ARG 92 2HH2 ARG 92 8.641 13.599 -2.018 738 HH12 ARG 92 1HH2 ARG 92 10.357 13.501 -2.231 739 HH21 ARG 92 2HH1 ARG 92 11.065 16.286 -0.194 740 HH22 ARG 92 1HH1 ARG 92 11.745 15.039 -1.186 741 H LYS 93 H LYS 93 2.727 13.604 1.067 742 HA LYS 93 HA LYS 93 2.108 15.111 3.488 743 HB2 LYS 93 1HB LYS 93 1.455 16.434 1.740 744 HB3 LYS 93 2HB LYS 93 1.101 15.082 0.684 745 HG2 LYS 93 1HG LYS 93 -1.044 14.769 1.553 746 HG3 LYS 93 2HG LYS 93 -0.611 15.373 3.140 747 HD2 LYS 93 1HD LYS 93 -1.479 17.390 2.585 748 HD3 LYS 93 2HD LYS 93 -0.238 17.568 1.361 749 HE2 LYS 93 1HE LYS 93 -2.057 15.814 0.149 750 HE3 LYS 93 2HE LYS 93 -3.101 16.900 1.044 751 HZ1 LYS 93 1HZ LYS 93 -1.039 18.312 -0.261 752 HZ2 LYS 93 2HZ LYS 93 -1.893 17.419 -1.329 753 HZ3 LYS 93 3HZ LYS 93 -2.656 18.506 -0.379 754 H LEU 94 H LEU 94 2.014 13.284 4.932 755 HA LEU 94 HA LEU 94 -0.584 12.128 4.996 756 HB2 LEU 94 1HB LEU 94 1.073 10.744 3.383 757 HB3 LEU 94 2HB LEU 94 1.484 10.008 4.919 758 HG LEU 94 HG LEU 94 -0.950 9.515 5.274 759 HD11 LEU 94 1HD1 LEU 94 -1.157 11.051 2.784 760 HD12 LEU 94 2HD1 LEU 94 -2.037 9.504 2.751 761 HD13 LEU 94 3HD1 LEU 94 -2.380 10.697 4.027 762 HD21 LEU 94 1HD2 LEU 94 -0.994 7.747 3.353 763 HD22 LEU 94 2HD2 LEU 94 0.656 8.332 3.031 764 HD23 LEU 94 3HD2 LEU 94 0.247 7.653 4.625 765 H SER 95 H SER 95 2.803 11.440 6.139 766 HA SER 95 HA SER 95 2.262 10.607 8.601 767 HB2 SER 95 1HB SER 95 4.468 12.520 7.725 768 HB3 SER 95 2HB SER 95 4.456 11.724 9.286 769 HG SER 95 HG SER 95 4.340 10.315 6.757 770 H GLY 96 H GLY 96 1.791 11.509 10.670 771 HA2 GLY 96 1HA GLY 96 1.639 14.345 11.063 772 HA3 GLY 96 2HA GLY 96 0.060 13.618 10.843 773 HA PRO 97 HA PRO 97 1.727 12.886 15.146 774 HB2 PRO 97 1HB PRO 97 0.849 15.067 16.539 775 HB3 PRO 97 2HB PRO 97 2.487 14.910 15.939 776 HG2 PRO 97 1HG PRO 97 0.282 16.577 14.893 777 HG3 PRO 97 2HG PRO 97 2.002 16.716 14.590 778 HD2 PRO 97 1HD PRO 97 0.030 15.625 12.816 779 HD3 PRO 97 2HD PRO 97 1.764 15.659 12.562 780 H SER 98 H SER 98 -1.282 14.514 14.327 781 HA SER 98 HA SER 98 -2.717 12.236 15.143 782 HB2 SER 98 1HB SER 98 -4.067 13.457 16.935 783 HB3 SER 98 2HB SER 98 -2.442 12.990 17.395 784 HG SER 98 HG SER 98 -3.544 15.485 17.333 785 H SER 99 H SER 99 -4.522 12.182 13.836 786 HA SER 99 HA SER 99 -6.134 14.384 13.398 787 HB2 SER 99 1HB SER 99 -3.905 14.774 11.928 788 HB3 SER 99 2HB SER 99 -4.756 13.731 10.806 789 HG SER 99 HG SER 99 -5.867 16.139 11.976 790 H GLY 100 H GLY 100 -7.846 13.854 11.643 791 HA2 GLY 100 1HA GLY 100 -8.469 11.028 11.842 792 HA3 GLY 100 2HA GLY 100 -9.493 12.315 11.236 Start of MODEL 14 1 H1 GLY 1 H GLY 1 25.810 43.548 29.041 2 HA2 GLY 1 1HA GLY 1 25.517 46.063 29.468 3 HA3 GLY 1 2HA GLY 1 26.247 46.222 27.883 4 H SER 2 H SER 2 25.060 45.719 25.995 5 HA SER 2 HA SER 2 22.242 45.636 26.431 6 HB2 SER 2 1HB SER 2 23.951 46.667 24.447 7 HB3 SER 2 2HB SER 2 23.129 45.345 23.643 8 HG SER 2 HG SER 2 21.859 47.532 25.061 9 H SER 3 H SER 3 20.796 43.964 25.666 10 HA SER 3 HA SER 3 22.141 41.406 25.488 11 HB2 SER 3 1HB SER 3 19.246 42.173 26.051 12 HB3 SER 3 2HB SER 3 19.775 40.512 25.870 13 HG SER 3 HG SER 3 19.688 41.545 28.129 14 H GLY 4 H GLY 4 21.164 39.751 23.919 15 HA2 GLY 4 1HA GLY 4 20.212 41.101 21.463 16 HA3 GLY 4 2HA GLY 4 21.439 39.850 21.454 17 H SER 5 H SER 5 19.461 39.169 19.870 18 HA SER 5 HA SER 5 18.056 37.172 21.416 19 HB2 SER 5 1HB SER 5 16.687 39.421 20.767 20 HB3 SER 5 2HB SER 5 16.461 38.537 19.271 21 HG SER 5 HG SER 5 14.848 37.605 20.339 22 H SER 6 H SER 6 17.140 35.416 19.943 23 HA SER 6 HA SER 6 18.144 35.446 17.266 24 HB2 SER 6 1HB SER 6 19.859 34.434 19.181 25 HB3 SER 6 2HB SER 6 18.994 32.986 18.705 26 HG SER 6 HG SER 6 19.606 34.334 16.434 27 H GLY 7 H GLY 7 17.468 33.291 16.123 28 HA2 GLY 7 1HA GLY 7 14.982 32.280 17.373 29 HA3 GLY 7 2HA GLY 7 15.110 32.690 15.674 30 H ASN 8 H ASN 8 14.307 30.116 16.436 31 HA ASN 8 HA ASN 8 16.366 28.615 15.177 32 HB2 ASN 8 1HB ASN 8 16.634 28.665 17.886 33 HB3 ASN 8 2HB ASN 8 15.432 27.395 17.776 34 HD21 ASN 8 1HD2 ASN 8 16.092 25.410 17.452 35 HD22 ASN 8 2HD2 ASN 8 17.636 24.906 16.849 36 H LEU 9 H LEU 9 15.448 26.646 14.256 37 HA LEU 9 HA LEU 9 12.550 26.406 14.676 38 HB2 LEU 9 1HB LEU 9 14.216 25.996 12.193 39 HB3 LEU 9 2HB LEU 9 12.549 25.475 12.339 40 HG LEU 9 HG LEU 9 12.282 28.078 13.057 41 HD11 LEU 9 1HD1 LEU 9 14.158 28.433 10.780 42 HD12 LEU 9 2HD1 LEU 9 13.768 29.518 12.136 43 HD13 LEU 9 3HD1 LEU 9 14.874 28.146 12.384 44 HD21 LEU 9 1HD2 LEU 9 10.784 27.378 11.488 45 HD22 LEU 9 2HD2 LEU 9 11.841 28.373 10.457 46 HD23 LEU 9 3HD2 LEU 9 12.027 26.602 10.476 47 H SER 10 H SER 10 11.816 24.051 13.928 48 HA SER 10 HA SER 10 13.649 21.989 14.235 49 HB2 SER 10 1HB SER 10 13.226 23.096 16.681 50 HB3 SER 10 2HB SER 10 11.869 21.987 16.648 51 HG SER 10 HG SER 10 14.677 21.352 16.381 52 H ALA 11 H ALA 11 12.695 20.151 13.360 53 HA ALA 11 HA ALA 11 9.787 19.945 13.495 54 HB1 ALA 11 1HB ALA 11 9.566 20.597 11.355 55 HB2 ALA 11 2HB ALA 11 11.331 20.708 11.154 56 HB3 ALA 11 3HB ALA 11 10.500 19.159 10.879 57 H SER 12 H SER 12 9.087 17.835 13.737 58 HA SER 12 HA SER 12 11.040 15.763 13.210 59 HB2 SER 12 1HB SER 12 10.298 16.675 15.849 60 HB3 SER 12 2HB SER 12 9.667 15.054 15.633 61 HG SER 12 HG SER 12 12.110 15.613 16.328 62 H ASN 13 H ASN 13 9.907 13.498 13.439 63 HA ASN 13 HA ASN 13 7.072 13.587 13.200 64 HB2 ASN 13 1HB ASN 13 8.794 12.726 10.815 65 HB3 ASN 13 2HB ASN 13 7.063 12.477 10.924 66 HD21 ASN 13 1HD2 ASN 13 9.397 14.401 9.696 67 HD22 ASN 13 2HD2 ASN 13 8.542 15.893 9.481 68 H ARG 14 H ARG 14 6.210 11.482 13.686 69 HA ARG 14 HA ARG 14 8.103 9.302 13.686 70 HB2 ARG 14 1HB ARG 14 7.292 10.675 16.067 71 HB3 ARG 14 2HB ARG 14 6.445 9.141 16.081 72 HG2 ARG 14 1HG ARG 14 8.657 7.978 15.625 73 HG3 ARG 14 2HG ARG 14 9.459 9.530 15.772 74 HD2 ARG 14 1HD ARG 14 7.972 9.511 18.097 75 HD3 ARG 14 2HD ARG 14 8.279 7.797 17.900 76 HE ARG 14 HE ARG 14 10.226 9.814 18.627 77 HH11 ARG 14 2HH2 ARG 14 9.875 6.783 16.874 78 HH12 ARG 14 1HH2 ARG 14 11.531 6.322 17.084 79 HH21 ARG 14 2HH1 ARG 14 12.411 9.206 18.905 80 HH22 ARG 14 1HH1 ARG 14 12.983 7.710 18.247 81 H ALA 15 H ALA 15 6.824 7.147 14.289 82 HA ALA 15 HA ALA 15 5.201 5.725 13.806 83 HB1 ALA 15 1HB ALA 15 3.376 8.157 13.985 84 HB2 ALA 15 2HB ALA 15 2.868 6.453 14.068 85 HB3 ALA 15 3HB ALA 15 3.882 7.143 15.358 86 H LEU 16 H LEU 16 4.990 4.759 11.851 87 HA LEU 16 HA LEU 16 4.893 6.500 9.521 88 HB2 LEU 16 1HB LEU 16 5.359 3.522 9.726 89 HB3 LEU 16 2HB LEU 16 5.502 4.497 8.278 90 HG LEU 16 HG LEU 16 7.227 4.795 10.752 91 HD11 LEU 16 1HD1 LEU 16 8.424 3.084 10.008 92 HD12 LEU 16 2HD1 LEU 16 7.350 2.902 8.600 93 HD13 LEU 16 3HD1 LEU 16 8.755 3.991 8.512 94 HD21 LEU 16 1HD2 LEU 16 8.593 6.298 9.435 95 HD22 LEU 16 2HD2 LEU 16 7.527 6.082 8.025 96 HD23 LEU 16 3HD2 LEU 16 6.916 6.894 9.487 97 HA PRO 17 HA PRO 17 0.767 5.571 8.671 98 HB2 PRO 17 1HB PRO 17 0.668 5.726 5.944 99 HB3 PRO 17 2HB PRO 17 0.669 7.136 6.985 100 HG2 PRO 17 1HG PRO 17 2.867 6.050 5.334 101 HG3 PRO 17 2HG PRO 17 2.704 7.650 6.029 102 HD2 PRO 17 1HD PRO 17 4.371 5.524 6.991 103 HD3 PRO 17 2HD PRO 17 4.118 7.083 7.750 104 H VAL 18 H VAL 18 -0.861 4.109 7.740 105 HA VAL 18 HA VAL 18 0.442 1.505 7.394 106 HB VAL 18 HB VAL 18 -2.351 2.258 8.279 107 HG11 VAL 18 1HG1 VAL 18 -1.049 -0.479 8.074 108 HG12 VAL 18 2HG1 VAL 18 -2.652 -0.133 8.766 109 HG13 VAL 18 3HG1 VAL 18 -2.352 0.145 7.034 110 HG21 VAL 18 1HG2 VAL 18 -1.092 2.725 10.146 111 HG22 VAL 18 2HG2 VAL 18 -1.387 0.987 10.396 112 HG23 VAL 18 3HG2 VAL 18 0.169 1.540 9.731 113 H LEU 19 H LEU 19 0.462 0.616 5.398 114 HA LEU 19 HA LEU 19 -1.448 1.719 3.460 115 HB2 LEU 19 1HB LEU 19 0.877 2.213 2.962 116 HB3 LEU 19 2HB LEU 19 1.292 0.513 3.059 117 HG LEU 19 HG LEU 19 -0.567 0.325 1.149 118 HD11 LEU 19 1HD1 LEU 19 -0.936 2.864 1.376 119 HD12 LEU 19 2HD1 LEU 19 0.595 3.022 0.481 120 HD13 LEU 19 3HD1 LEU 19 -0.784 2.171 -0.257 121 HD21 LEU 19 1HD2 LEU 19 1.914 1.311 -0.039 122 HD22 LEU 19 2HD2 LEU 19 2.188 0.155 1.287 123 HD23 LEU 19 3HD2 LEU 19 1.170 -0.306 -0.099 124 H THR 20 H THR 20 -3.147 0.418 3.057 125 HA THR 20 HA THR 20 -3.005 -2.367 3.771 126 HB THR 20 HB THR 20 -5.288 -1.033 2.285 127 HG1 THR 20 1HG THR 20 -5.620 0.241 4.112 128 HG21 THR 20 1HG2 THR 20 -6.473 -2.200 4.328 129 HG22 THR 20 2HG2 THR 20 -5.881 -3.231 3.003 130 HG23 THR 20 3HG2 THR 20 -4.939 -3.085 4.507 131 H LEU 21 H LEU 21 -2.511 -4.060 2.519 132 HA LEU 21 HA LEU 21 -2.485 -3.561 -0.376 133 HB2 LEU 21 1HB LEU 21 -0.249 -3.649 0.050 134 HB3 LEU 21 2HB LEU 21 -0.425 -4.708 1.435 135 HG LEU 21 HG LEU 21 -0.753 -6.634 0.010 136 HD11 LEU 21 1HD1 LEU 21 -1.752 -6.354 -1.958 137 HD12 LEU 21 2HD1 LEU 21 -1.342 -4.623 -2.006 138 HD13 LEU 21 3HD1 LEU 21 -0.172 -5.831 -2.589 139 HD21 LEU 21 1HD2 LEU 21 1.605 -5.344 0.370 140 HD22 LEU 21 2HD2 LEU 21 1.435 -6.932 -0.416 141 HD23 LEU 21 3HD2 LEU 21 1.557 -5.457 -1.405 142 H PHE 22 H PHE 22 -3.847 -4.838 -1.505 143 HA PHE 22 HA PHE 22 -4.795 -7.252 -0.133 144 HB2 PHE 22 1HB PHE 22 -5.951 -5.349 -2.252 145 HB3 PHE 22 2HB PHE 22 -6.722 -6.875 -1.867 146 HD1 PHE 22 2HD PHE 22 -7.544 -7.248 0.502 147 HD2 PHE 22 1HD PHE 22 -6.318 -3.442 -0.918 148 HE1 PHE 22 2HE PHE 22 -8.790 -6.145 2.382 149 HE2 PHE 22 1HE PHE 22 -7.564 -2.339 0.961 150 HZ PHE 22 HZ PHE 22 -8.785 -3.704 2.589 151 H THR 23 H THR 23 -3.577 -8.962 -0.860 152 HA THR 23 HA THR 23 -3.289 -9.184 -3.785 153 HB THR 23 HB THR 23 -1.099 -8.757 -2.811 154 HG1 THR 23 1HG THR 23 -1.488 -11.656 -2.902 155 HG21 THR 23 1HG2 THR 23 -0.268 -10.552 -1.090 156 HG22 THR 23 2HG2 THR 23 -1.282 -9.228 -0.468 157 HG23 THR 23 3HG2 THR 23 -1.995 -10.832 -0.765 158 H LYS 24 H LYS 24 -3.461 -11.293 -4.709 159 HA LYS 24 HA LYS 24 -4.473 -13.357 -2.934 160 HB2 LYS 24 1HB LYS 24 -6.473 -13.727 -4.318 161 HB3 LYS 24 2HB LYS 24 -6.497 -12.167 -3.522 162 HG2 LYS 24 1HG LYS 24 -5.852 -11.015 -5.565 163 HG3 LYS 24 2HG LYS 24 -5.485 -12.524 -6.376 164 HD2 LYS 24 1HD LYS 24 -8.248 -12.437 -5.317 165 HD3 LYS 24 2HD LYS 24 -7.928 -11.164 -6.478 166 HE2 LYS 24 1HE LYS 24 -6.758 -13.611 -7.486 167 HE3 LYS 24 2HE LYS 24 -8.402 -13.958 -6.991 168 HZ1 LYS 24 1HZ LYS 24 -7.960 -13.019 -9.309 169 HZ2 LYS 24 2HZ LYS 24 -9.232 -12.438 -8.466 170 HZ3 LYS 24 3HZ LYS 24 -7.853 -11.568 -8.566 171 H ALA 25 H ALA 25 -3.395 -15.190 -3.406 172 HA ALA 25 HA ALA 25 -1.962 -15.313 -5.915 173 HB1 ALA 25 1HB ALA 25 -2.044 -17.314 -3.626 174 HB2 ALA 25 2HB ALA 25 -0.803 -17.161 -4.893 175 HB3 ALA 25 3HB ALA 25 -0.972 -15.893 -3.656 176 HA PRO 26 HA PRO 26 -1.223 -16.546 -7.165 177 HB2 PRO 26 1HB PRO 26 -1.470 -16.780 -9.877 178 HB3 PRO 26 2HB PRO 26 -0.932 -18.092 -8.847 179 HG2 PRO 26 1HG PRO 26 -3.556 -17.721 -10.158 180 HG3 PRO 26 2HG PRO 26 -2.858 -19.185 -9.494 181 HD2 PRO 26 1HD PRO 26 -4.897 -17.561 -8.298 182 HD3 PRO 26 2HD PRO 26 -4.117 -18.958 -7.584 183 H CYS 27 H CYS 27 -0.217 -14.743 -8.366 184 HA CYS 27 HA CYS 27 -1.937 -12.859 -9.538 185 HB2 CYS 27 1HB CYS 27 -1.497 -11.062 -7.715 186 HB3 CYS 27 2HB CYS 27 -2.822 -12.189 -7.500 187 HG CYS 27 HG CYS 27 -1.666 -11.868 -5.198 188 HA PRO 28 HA PRO 28 2.284 -12.267 -10.718 189 HB2 PRO 28 1HB PRO 28 1.789 -11.036 -13.107 190 HB3 PRO 28 2HB PRO 28 1.871 -12.777 -12.924 191 HG2 PRO 28 1HG PRO 28 -0.510 -11.059 -13.269 192 HG3 PRO 28 2HG PRO 28 -0.361 -12.789 -13.509 193 HD2 PRO 28 1HD PRO 28 -1.571 -11.464 -11.271 194 HD3 PRO 28 2HD PRO 28 -1.318 -13.188 -11.457 195 H LEU 29 H LEU 29 -0.175 -9.807 -10.652 196 HA LEU 29 HA LEU 29 1.813 -7.725 -10.587 197 HB2 LEU 29 1HB LEU 29 -1.183 -7.848 -10.522 198 HB3 LEU 29 2HB LEU 29 -0.353 -6.374 -10.064 199 HG LEU 29 HG LEU 29 -1.108 -6.394 -12.419 200 HD11 LEU 29 1HD1 LEU 29 0.838 -5.400 -13.341 201 HD12 LEU 29 2HD1 LEU 29 0.877 -5.072 -11.592 202 HD13 LEU 29 3HD1 LEU 29 1.913 -6.345 -12.282 203 HD21 LEU 29 1HD2 LEU 29 -0.643 -8.002 -13.910 204 HD22 LEU 29 2HD2 LEU 29 1.037 -8.181 -13.351 205 HD23 LEU 29 3HD2 LEU 29 -0.283 -8.998 -12.479 206 H CYS 30 H CYS 30 -0.877 -8.641 -8.316 207 HA CYS 30 HA CYS 30 -0.117 -7.270 -6.165 208 HB2 CYS 30 1HB CYS 30 -1.060 -10.151 -6.025 209 HB3 CYS 30 2HB CYS 30 -1.231 -8.927 -4.782 210 HG CYS 30 HG CYS 30 -2.665 -9.297 -7.706 211 H ASP 31 H ASP 31 1.484 -10.086 -7.621 212 HA ASP 31 HA ASP 31 3.067 -10.691 -5.382 213 HB2 ASP 31 1HB ASP 31 2.812 -12.426 -6.991 214 HB3 ASP 31 2HB ASP 31 3.148 -11.356 -8.337 215 H GLU 32 H GLU 32 3.741 -9.117 -8.607 216 HA GLU 32 HA GLU 32 6.329 -8.359 -7.946 217 HB2 GLU 32 1HB GLU 32 4.767 -8.346 -10.227 218 HB3 GLU 32 2HB GLU 32 4.890 -6.631 -9.888 219 HG2 GLU 32 1HG GLU 32 6.938 -6.680 -10.867 220 HG3 GLU 32 2HG GLU 32 7.508 -7.562 -9.464 221 H ALA 33 H ALA 33 3.159 -6.638 -7.749 222 HA ALA 33 HA ALA 33 3.858 -4.120 -7.202 223 HB1 ALA 33 1HB ALA 33 1.628 -4.186 -6.907 224 HB2 ALA 33 2HB ALA 33 1.671 -5.923 -6.521 225 HB3 ALA 33 3HB ALA 33 1.936 -4.718 -5.237 226 H LYS 34 H LYS 34 3.648 -6.707 -4.648 227 HA LYS 34 HA LYS 34 4.583 -5.277 -2.547 228 HB2 LYS 34 1HB LYS 34 5.040 -8.183 -3.271 229 HB3 LYS 34 2HB LYS 34 5.465 -7.500 -1.714 230 HG2 LYS 34 1HG LYS 34 3.281 -7.376 -1.022 231 HG3 LYS 34 2HG LYS 34 2.713 -6.812 -2.581 232 HD2 LYS 34 1HD LYS 34 1.765 -8.907 -2.678 233 HD3 LYS 34 2HD LYS 34 3.347 -9.360 -3.280 234 HE2 LYS 34 1HE LYS 34 3.556 -9.385 -0.429 235 HE3 LYS 34 2HE LYS 34 2.035 -10.168 -0.806 236 HZ1 LYS 34 1HZ LYS 34 4.295 -10.919 -2.432 237 HZ2 LYS 34 2HZ LYS 34 4.327 -11.420 -0.878 238 HZ3 LYS 34 3HZ LYS 34 3.081 -11.841 -1.846 239 H GLU 35 H GLU 35 6.582 -7.066 -4.991 240 HA GLU 35 HA GLU 35 9.012 -6.465 -3.916 241 HB2 GLU 35 1HB GLU 35 8.485 -6.560 -6.909 242 HB3 GLU 35 2HB GLU 35 9.939 -7.049 -6.061 243 HG2 GLU 35 1HG GLU 35 8.317 -8.740 -4.812 244 HG3 GLU 35 2HG GLU 35 7.255 -8.452 -6.175 245 H VAL 36 H VAL 36 6.746 -4.411 -5.687 246 HA VAL 36 HA VAL 36 8.707 -2.412 -6.303 247 HB VAL 36 HB VAL 36 5.695 -2.198 -6.326 248 HG11 VAL 36 1HG1 VAL 36 5.975 -0.420 -7.857 249 HG12 VAL 36 2HG1 VAL 36 7.175 -0.126 -6.577 250 HG13 VAL 36 3HG1 VAL 36 7.688 -0.817 -8.135 251 HG21 VAL 36 1HG2 VAL 36 5.530 -3.342 -8.286 252 HG22 VAL 36 2HG2 VAL 36 7.158 -2.869 -8.830 253 HG23 VAL 36 3HG2 VAL 36 6.963 -4.177 -7.639 254 H LEU 37 H LEU 37 6.801 -3.364 -3.551 255 HA LEU 37 HA LEU 37 7.073 -0.703 -2.375 256 HB2 LEU 37 1HB LEU 37 5.468 -3.131 -1.576 257 HB3 LEU 37 2HB LEU 37 5.603 -1.686 -0.595 258 HG LEU 37 HG LEU 37 4.194 -2.071 -3.220 259 HD11 LEU 37 1HD1 LEU 37 3.446 -0.954 -0.513 260 HD12 LEU 37 2HD1 LEU 37 2.420 -0.778 -1.957 261 HD13 LEU 37 3HD1 LEU 37 2.807 -2.399 -1.332 262 HD21 LEU 37 1HD2 LEU 37 5.550 -0.161 -3.697 263 HD22 LEU 37 2HD2 LEU 37 3.901 0.411 -3.345 264 HD23 LEU 37 3HD2 LEU 37 5.180 0.570 -2.117 265 H GLN 38 H GLN 38 9.248 -2.842 -2.937 266 HA GLN 38 HA GLN 38 9.979 -3.857 -0.439 267 HB2 GLN 38 1HB GLN 38 11.079 -3.757 -3.167 268 HB3 GLN 38 2HB GLN 38 12.336 -3.657 -1.951 269 HG2 GLN 38 1HG GLN 38 10.588 -5.658 -0.982 270 HG3 GLN 38 2HG GLN 38 10.665 -5.950 -2.708 271 HE21 GLN 38 1HE2 GLN 38 13.272 -4.869 -3.132 272 HE22 GLN 38 2HE2 GLN 38 14.438 -5.960 -2.462 273 HA PRO 39 HA PRO 39 12.789 -0.033 -0.315 274 HB2 PRO 39 1HB PRO 39 12.423 1.986 -2.120 275 HB3 PRO 39 2HB PRO 39 13.621 0.723 -2.325 276 HG2 PRO 39 1HG PRO 39 11.027 1.059 -3.703 277 HG3 PRO 39 2HG PRO 39 12.402 0.079 -4.174 278 HD2 PRO 39 1HD PRO 39 9.960 -0.848 -2.987 279 HD3 PRO 39 2HD PRO 39 11.380 -1.809 -3.352 280 H TYR 40 H TYR 40 9.546 -0.223 -0.398 281 HA TYR 40 HA TYR 40 9.329 2.260 1.169 282 HB2 TYR 40 1HB TYR 40 7.280 0.714 -0.540 283 HB3 TYR 40 2HB TYR 40 6.945 2.219 0.294 284 HD1 TYR 40 2HD TYR 40 7.833 4.353 -0.547 285 HD2 TYR 40 1HD TYR 40 8.572 0.678 -2.610 286 HE1 TYR 40 2HE TYR 40 8.561 5.649 -2.609 287 HE2 TYR 40 1HE TYR 40 9.298 1.987 -4.666 288 HH TYR 40 HH TYR 40 9.301 3.975 -5.622 289 H LYS 41 H LYS 41 9.708 -0.952 1.554 290 HA LYS 41 HA LYS 41 7.460 -1.733 3.035 291 HB2 LYS 41 1HB LYS 41 8.809 -3.606 3.720 292 HB3 LYS 41 2HB LYS 41 9.107 -3.277 2.025 293 HG2 LYS 41 1HG LYS 41 11.319 -3.238 2.550 294 HG3 LYS 41 2HG LYS 41 11.018 -1.679 3.292 295 HD2 LYS 41 1HD LYS 41 10.446 -2.882 5.456 296 HD3 LYS 41 2HD LYS 41 10.908 -4.391 4.694 297 HE2 LYS 41 1HE LYS 41 13.132 -2.879 4.134 298 HE3 LYS 41 2HE LYS 41 12.633 -2.136 5.641 299 HZ1 LYS 41 1HZ LYS 41 12.818 -5.044 5.389 300 HZ2 LYS 41 2HZ LYS 41 14.128 -4.142 5.760 301 HZ3 LYS 41 3HZ LYS 41 12.829 -4.141 6.750 302 H ASP 42 H ASP 42 10.414 0.105 3.828 303 HA ASP 42 HA ASP 42 9.744 0.011 6.620 304 HB2 ASP 42 1HB ASP 42 12.126 0.223 5.237 305 HB3 ASP 42 2HB ASP 42 11.838 1.903 5.645 306 H ARG 43 H ARG 43 9.154 1.912 3.762 307 HA ARG 43 HA ARG 43 9.031 4.438 4.905 308 HB2 ARG 43 1HB ARG 43 7.828 3.157 2.427 309 HB3 ARG 43 2HB ARG 43 7.377 4.795 2.855 310 HG2 ARG 43 1HG ARG 43 10.290 3.925 2.631 311 HG3 ARG 43 2HG ARG 43 9.388 4.519 1.251 312 HD2 ARG 43 1HD ARG 43 10.323 6.519 2.011 313 HD3 ARG 43 2HD ARG 43 8.801 6.552 2.878 314 HE ARG 43 HE ARG 43 9.983 6.318 4.877 315 HH11 ARG 43 2HH2 ARG 43 12.007 5.184 2.231 316 HH12 ARG 43 1HH2 ARG 43 13.396 4.928 3.234 317 HH21 ARG 43 2HH1 ARG 43 11.815 5.981 6.201 318 HH22 ARG 43 1HH1 ARG 43 13.286 5.385 5.507 319 H PHE 44 H PHE 44 7.052 1.647 5.295 320 HA PHE 44 HA PHE 44 5.324 2.892 7.077 321 HB2 PHE 44 1HB PHE 44 3.219 2.583 5.585 322 HB3 PHE 44 2HB PHE 44 4.250 3.932 5.149 323 HD1 PHE 44 1HD PHE 44 4.006 0.279 4.373 324 HD2 PHE 44 2HD PHE 44 4.652 4.208 2.905 325 HE1 PHE 44 1HE PHE 44 4.200 -0.625 2.039 326 HE2 PHE 44 2HE PHE 44 4.847 3.304 0.571 327 HZ PHE 44 HZ PHE 44 4.619 0.899 0.166 328 H ILE 45 H ILE 45 3.269 1.336 7.447 329 HA ILE 45 HA ILE 45 4.425 -1.332 7.533 330 HB ILE 45 HB ILE 45 2.168 0.034 8.979 331 HG12 ILE 45 1HG1 ILE 45 4.562 -1.367 10.163 332 HG13 ILE 45 2HG1 ILE 45 4.673 0.287 9.595 333 HG21 ILE 45 1HG2 ILE 45 2.331 -2.746 8.322 334 HG22 ILE 45 2HG2 ILE 45 2.604 -2.548 10.070 335 HG23 ILE 45 3HG2 ILE 45 1.129 -1.893 9.320 336 HD11 ILE 45 1HD1 ILE 45 4.015 -0.176 12.104 337 HD12 ILE 45 2HD1 ILE 45 3.155 1.096 11.203 338 HD13 ILE 45 3HD1 ILE 45 2.399 -0.499 11.433 339 H LEU 46 H LEU 46 4.149 -2.343 5.577 340 HA LEU 46 HA LEU 46 1.799 -1.947 4.032 341 HB2 LEU 46 1HB LEU 46 3.994 -2.411 3.064 342 HB3 LEU 46 2HB LEU 46 4.016 -3.989 3.825 343 HG LEU 46 HG LEU 46 2.020 -4.637 2.483 344 HD11 LEU 46 1HD1 LEU 46 1.900 -2.956 0.354 345 HD12 LEU 46 2HD1 LEU 46 0.792 -2.903 1.746 346 HD13 LEU 46 3HD1 LEU 46 2.188 -1.801 1.677 347 HD21 LEU 46 1HD2 LEU 46 4.725 -4.217 1.561 348 HD22 LEU 46 2HD2 LEU 46 3.605 -5.561 1.235 349 HD23 LEU 46 3HD2 LEU 46 3.574 -4.108 0.208 350 H GLN 47 H GLN 47 -0.170 -2.703 4.581 351 HA GLN 47 HA GLN 47 -0.269 -5.039 6.270 352 HB2 GLN 47 1HB GLN 47 -1.674 -2.719 6.372 353 HB3 GLN 47 2HB GLN 47 -2.772 -3.654 5.376 354 HG2 GLN 47 1HG GLN 47 -2.071 -3.990 8.249 355 HG3 GLN 47 2HG GLN 47 -3.565 -4.370 7.414 356 HE21 GLN 47 1HE2 GLN 47 -0.549 -5.507 8.569 357 HE22 GLN 47 2HE2 GLN 47 -0.683 -7.171 8.108 358 H GLU 48 H GLU 48 -0.071 -6.940 5.128 359 HA GLU 48 HA GLU 48 -1.205 -7.090 2.506 360 HB2 GLU 48 1HB GLU 48 0.707 -8.648 4.142 361 HB3 GLU 48 2HB GLU 48 -0.341 -9.652 3.160 362 HG2 GLU 48 1HG GLU 48 0.506 -8.832 1.151 363 HG3 GLU 48 2HG GLU 48 0.849 -7.246 1.813 364 H VAL 49 H VAL 49 -3.442 -7.173 2.518 365 HA VAL 49 HA VAL 49 -4.737 -8.874 4.485 366 HB VAL 49 HB VAL 49 -5.813 -6.975 2.391 367 HG11 VAL 49 1HG1 VAL 49 -7.128 -8.934 4.168 368 HG12 VAL 49 2HG1 VAL 49 -7.817 -7.294 4.224 369 HG13 VAL 49 3HG1 VAL 49 -7.711 -8.162 2.674 370 HG21 VAL 49 1HG2 VAL 49 -6.340 -6.217 5.123 371 HG22 VAL 49 2HG2 VAL 49 -4.593 -6.464 4.890 372 HG23 VAL 49 3HG2 VAL 49 -5.477 -5.322 3.849 373 H ASP 50 H ASP 50 -6.003 -10.701 3.955 374 HA ASP 50 HA ASP 50 -5.332 -11.763 1.337 375 HB2 ASP 50 1HB ASP 50 -5.945 -12.949 4.035 376 HB3 ASP 50 2HB ASP 50 -6.410 -13.890 2.632 377 H ILE 51 H ILE 51 -7.016 -11.171 -0.078 378 HA ILE 51 HA ILE 51 -9.703 -10.948 0.885 379 HB ILE 51 HB ILE 51 -10.221 -10.295 -1.384 380 HG12 ILE 51 1HG1 ILE 51 -7.345 -10.760 -2.174 381 HG13 ILE 51 2HG1 ILE 51 -8.563 -12.001 -2.384 382 HG21 ILE 51 1HG2 ILE 51 -9.406 -8.243 -1.052 383 HG22 ILE 51 2HG2 ILE 51 -8.623 -8.927 0.393 384 HG23 ILE 51 3HG2 ILE 51 -7.717 -8.799 -1.134 385 HD11 ILE 51 1HD1 ILE 51 -9.721 -9.585 -3.373 386 HD12 ILE 51 2HD1 ILE 51 -8.064 -9.664 -4.019 387 HD13 ILE 51 3HD1 ILE 51 -9.198 -11.004 -4.312 388 H THR 52 H THR 52 -7.649 -13.427 -0.514 389 HA THR 52 HA THR 52 -9.629 -15.023 -1.691 390 HB THR 52 HB THR 52 -7.797 -16.813 -1.273 391 HG1 THR 52 1HG THR 52 -6.176 -16.104 0.079 392 HG21 THR 52 1HG2 THR 52 -7.740 -14.483 -2.975 393 HG22 THR 52 2HG2 THR 52 -6.101 -14.717 -2.323 394 HG23 THR 52 3HG2 THR 52 -6.898 -16.032 -3.220 395 H LEU 53 H LEU 53 -9.149 -14.160 1.596 396 HA LEU 53 HA LEU 53 -10.105 -16.617 2.696 397 HB2 LEU 53 1HB LEU 53 -9.543 -13.868 3.770 398 HB3 LEU 53 2HB LEU 53 -10.352 -15.075 4.750 399 HG LEU 53 HG LEU 53 -7.627 -15.450 3.479 400 HD11 LEU 53 1HD1 LEU 53 -7.857 -13.632 5.282 401 HD12 LEU 53 2HD1 LEU 53 -8.125 -14.979 6.414 402 HD13 LEU 53 3HD1 LEU 53 -6.602 -14.876 5.497 403 HD21 LEU 53 1HD2 LEU 53 -9.154 -17.112 5.501 404 HD22 LEU 53 2HD2 LEU 53 -8.738 -17.563 3.830 405 HD23 LEU 53 3HD2 LEU 53 -7.452 -17.364 5.044 406 HA PRO 54 HA PRO 54 -14.346 -15.874 2.417 407 HB2 PRO 54 1HB PRO 54 -15.336 -17.072 4.665 408 HB3 PRO 54 2HB PRO 54 -14.864 -17.964 3.233 409 HG2 PRO 54 1HG PRO 54 -13.448 -17.723 5.816 410 HG3 PRO 54 2HG PRO 54 -13.229 -18.916 4.551 411 HD2 PRO 54 1HD PRO 54 -11.529 -16.674 5.108 412 HD3 PRO 54 2HD PRO 54 -11.376 -17.800 3.773 413 H GLU 55 H GLU 55 -13.195 -15.163 5.673 414 HA GLU 55 HA GLU 55 -15.279 -13.469 6.292 415 HB2 GLU 55 1HB GLU 55 -13.829 -12.657 8.100 416 HB3 GLU 55 2HB GLU 55 -13.676 -14.396 7.945 417 HG2 GLU 55 1HG GLU 55 -11.632 -13.935 6.419 418 HG3 GLU 55 2HG GLU 55 -11.725 -12.271 6.961 419 H ASN 56 H ASN 56 -12.508 -13.056 4.182 420 HA ASN 56 HA ASN 56 -12.930 -10.185 4.183 421 HB2 ASN 56 1HB ASN 56 -10.721 -11.927 2.970 422 HB3 ASN 56 2HB ASN 56 -10.800 -10.188 2.765 423 HD21 ASN 56 1HD2 ASN 56 -8.896 -12.058 4.135 424 HD22 ASN 56 2HD2 ASN 56 -8.679 -11.428 5.734 425 H SER 57 H SER 57 -14.330 -12.783 2.809 426 HA SER 57 HA SER 57 -14.041 -12.811 0.169 427 HB2 SER 57 1HB SER 57 -15.624 -14.257 1.331 428 HB3 SER 57 2HB SER 57 -16.632 -12.892 1.770 429 HG SER 57 HG SER 57 -16.101 -13.737 -0.951 430 H THR 58 H THR 58 -15.473 -10.219 2.133 431 HA THR 58 HA THR 58 -16.771 -8.872 0.001 432 HB THR 58 HB THR 58 -15.781 -7.981 2.761 433 HG1 THR 58 1HG THR 58 -18.377 -8.743 1.624 434 HG21 THR 58 1HG2 THR 58 -17.205 -6.086 2.570 435 HG22 THR 58 2HG2 THR 58 -16.433 -6.145 0.967 436 HG23 THR 58 3HG2 THR 58 -18.084 -6.775 1.184 437 H TRP 59 H TRP 59 -13.568 -8.411 1.626 438 HA TRP 59 HA TRP 59 -12.734 -6.210 0.250 439 HB2 TRP 59 1HB TRP 59 -11.326 -8.567 1.439 440 HB3 TRP 59 2HB TRP 59 -10.408 -7.415 0.490 441 HD1 TRP 59 HD TRP 59 -11.147 -7.975 3.968 442 HE1 TRP 59 1HE TRP 59 -11.003 -5.834 5.504 443 HE3 TRP 59 3HE TRP 59 -11.288 -4.596 0.171 444 HZ2 TRP 59 2HZ TRP 59 -10.964 -3.031 4.971 445 HZ3 TRP 59 3HZ TRP 59 -11.192 -2.177 0.765 446 HH2 TRP 59 HH TRP 59 -11.035 -1.377 3.069 447 H TYR 60 H TYR 60 -13.089 -9.594 -0.812 448 HA TYR 60 HA TYR 60 -11.649 -9.142 -3.265 449 HB2 TYR 60 1HB TYR 60 -11.832 -11.320 -1.894 450 HB3 TYR 60 2HB TYR 60 -13.543 -11.362 -2.270 451 HD1 TYR 60 2HD TYR 60 -14.197 -11.449 -4.789 452 HD2 TYR 60 1HD TYR 60 -10.282 -12.355 -3.322 453 HE1 TYR 60 2HE TYR 60 -13.690 -12.741 -6.919 454 HE2 TYR 60 1HE TYR 60 -9.788 -13.644 -5.457 455 HH TYR 60 HH TYR 60 -10.472 -13.904 -7.598 456 H GLU 61 H GLU 61 -15.090 -9.765 -2.282 457 HA GLU 61 HA GLU 61 -16.161 -9.686 -4.785 458 HB2 GLU 61 1HB GLU 61 -17.293 -8.858 -2.087 459 HB3 GLU 61 2HB GLU 61 -18.277 -8.873 -3.536 460 HG2 GLU 61 1HG GLU 61 -17.019 -11.365 -3.642 461 HG3 GLU 61 2HG GLU 61 -17.270 -11.144 -1.922 462 H ARG 62 H ARG 62 -14.660 -7.133 -2.987 463 HA ARG 62 HA ARG 62 -16.021 -5.149 -4.605 464 HB2 ARG 62 1HB ARG 62 -15.223 -3.497 -3.014 465 HB3 ARG 62 2HB ARG 62 -15.844 -4.843 -2.079 466 HG2 ARG 62 1HG ARG 62 -13.599 -5.702 -1.670 467 HG3 ARG 62 2HG ARG 62 -12.896 -4.577 -2.815 468 HD2 ARG 62 1HD ARG 62 -12.470 -3.407 -0.852 469 HD3 ARG 62 2HD ARG 62 -14.050 -2.747 -1.223 470 HE ARG 62 HE ARG 62 -14.358 -5.157 0.322 471 HH11 ARG 62 2HH2 ARG 62 -13.364 -1.797 0.650 472 HH12 ARG 62 1HH2 ARG 62 -13.793 -1.700 2.325 473 HH21 ARG 62 2HH1 ARG 62 -14.924 -5.030 2.532 474 HH22 ARG 62 1HH1 ARG 62 -14.687 -3.551 3.403 475 H TYR 63 H TYR 63 -12.898 -6.717 -3.932 476 HA TYR 63 HA TYR 63 -11.763 -5.249 -6.204 477 HB2 TYR 63 1HB TYR 63 -10.595 -5.922 -3.434 478 HB3 TYR 63 2HB TYR 63 -9.594 -5.368 -4.761 479 HD1 TYR 63 1HD TYR 63 -11.181 -3.207 -5.956 480 HD2 TYR 63 2HD TYR 63 -10.616 -4.224 -1.839 481 HE1 TYR 63 1HE TYR 63 -11.642 -0.797 -5.290 482 HE2 TYR 63 2HE TYR 63 -11.078 -1.810 -1.187 483 HH TYR 63 HH TYR 63 -12.557 0.160 -2.514 484 H LYS 64 H LYS 64 -12.532 -7.308 -7.282 485 HA LYS 64 HA LYS 64 -10.669 -9.503 -6.705 486 HB2 LYS 64 1HB LYS 64 -12.327 -11.000 -7.664 487 HB3 LYS 64 2HB LYS 64 -13.019 -10.084 -6.340 488 HG2 LYS 64 1HG LYS 64 -13.836 -8.405 -8.164 489 HG3 LYS 64 2HG LYS 64 -13.443 -9.658 -9.323 490 HD2 LYS 64 1HD LYS 64 -15.277 -10.902 -8.774 491 HD3 LYS 64 2HD LYS 64 -14.997 -10.717 -7.054 492 HE2 LYS 64 1HE LYS 64 -15.797 -8.161 -7.703 493 HE3 LYS 64 2HE LYS 64 -16.704 -9.085 -8.884 494 HZ1 LYS 64 1HZ LYS 64 -17.213 -8.818 -6.174 495 HZ2 LYS 64 2HZ LYS 64 -18.078 -9.650 -7.282 496 HZ3 LYS 64 3HZ LYS 64 -16.886 -10.395 -6.449 497 H PHE 65 H PHE 65 -11.458 -6.935 -8.840 498 HA PHE 65 HA PHE 65 -9.644 -8.092 -10.811 499 HB2 PHE 65 1HB PHE 65 -11.299 -6.937 -12.513 500 HB3 PHE 65 2HB PHE 65 -11.793 -8.474 -11.830 501 HD1 PHE 65 1HD PHE 65 -12.063 -4.825 -11.070 502 HD2 PHE 65 2HD PHE 65 -13.930 -8.635 -10.982 503 HE1 PHE 65 1HE PHE 65 -14.178 -3.769 -10.225 504 HE2 PHE 65 2HE PHE 65 -16.044 -7.580 -10.136 505 HZ PHE 65 HZ PHE 65 -16.143 -5.160 -9.768 506 H ASP 66 H ASP 66 -9.970 -5.815 -8.572 507 HA ASP 66 HA ASP 66 -8.913 -3.734 -10.321 508 HB2 ASP 66 1HB ASP 66 -10.032 -3.096 -7.593 509 HB3 ASP 66 2HB ASP 66 -9.956 -2.077 -9.016 510 H ILE 67 H ILE 67 -7.474 -5.996 -9.028 511 HA ILE 67 HA ILE 67 -5.975 -4.557 -6.955 512 HB ILE 67 HB ILE 67 -5.178 -7.151 -6.763 513 HG12 ILE 67 1HG1 ILE 67 -8.087 -7.170 -7.608 514 HG13 ILE 67 2HG1 ILE 67 -6.750 -7.992 -8.388 515 HG21 ILE 67 1HG2 ILE 67 -6.094 -7.062 -4.675 516 HG22 ILE 67 2HG2 ILE 67 -6.159 -5.335 -5.100 517 HG23 ILE 67 3HG2 ILE 67 -7.619 -6.343 -5.245 518 HD11 ILE 67 1HD1 ILE 67 -7.160 -8.587 -5.476 519 HD12 ILE 67 2HD1 ILE 67 -8.373 -9.226 -6.611 520 HD13 ILE 67 3HD1 ILE 67 -6.659 -9.669 -6.798 521 HA PRO 68 HA PRO 68 -4.190 -5.644 -6.015 522 HB2 PRO 68 1HB PRO 68 -1.789 -4.529 -5.336 523 HB3 PRO 68 2HB PRO 68 -1.994 -6.239 -5.662 524 HG2 PRO 68 1HG PRO 68 -0.762 -4.162 -7.367 525 HG3 PRO 68 2HG PRO 68 -0.602 -5.904 -7.470 526 HD2 PRO 68 1HD PRO 68 -2.206 -4.224 -9.155 527 HD3 PRO 68 2HD PRO 68 -2.135 -5.975 -9.183 528 H VAL 69 H VAL 69 -4.755 -4.311 -4.264 529 HA VAL 69 HA VAL 69 -5.127 -1.551 -5.191 530 HB VAL 69 HB VAL 69 -6.663 -3.269 -3.238 531 HG11 VAL 69 1HG1 VAL 69 -6.588 -1.068 -2.277 532 HG12 VAL 69 2HG1 VAL 69 -6.943 -0.310 -3.848 533 HG13 VAL 69 3HG1 VAL 69 -8.188 -1.283 -3.027 534 HG21 VAL 69 1HG2 VAL 69 -7.127 -3.676 -5.626 535 HG22 VAL 69 2HG2 VAL 69 -8.524 -2.956 -4.792 536 HG23 VAL 69 3HG2 VAL 69 -7.499 -1.950 -5.843 537 H PHE 70 H PHE 70 -4.741 0.186 -3.658 538 HA PHE 70 HA PHE 70 -3.167 -0.614 -1.331 539 HB2 PHE 70 1HB PHE 70 -2.490 1.449 -3.514 540 HB3 PHE 70 2HB PHE 70 -1.584 1.298 -2.021 541 HD1 PHE 70 2HD PHE 70 -2.301 -0.240 -5.262 542 HD2 PHE 70 1HD PHE 70 -0.083 -0.577 -1.660 543 HE1 PHE 70 2HE PHE 70 -0.829 -1.969 -6.331 544 HE2 PHE 70 1HE PHE 70 1.390 -2.306 -2.729 545 HZ PHE 70 HZ PHE 70 0.999 -2.981 -5.052 546 H HIS 71 H HIS 71 -3.911 0.398 0.471 547 HA HIS 71 HA HIS 71 -5.365 2.906 0.036 548 HB2 HIS 71 1HB HIS 71 -5.794 0.846 2.218 549 HB3 HIS 71 2HB HIS 71 -6.693 2.336 2.015 550 HD1 HIS 71 1HD HIS 71 -8.416 -0.067 2.019 551 HD2 HIS 71 2HD HIS 71 -6.535 1.260 -1.487 552 HE1 HIS 71 1HE HIS 71 -9.750 -1.047 0.078 553 H LEU 72 H LEU 72 -4.432 4.699 0.882 554 HA LEU 72 HA LEU 72 -2.362 4.254 2.913 555 HB2 LEU 72 1HB LEU 72 -2.310 5.611 0.459 556 HB3 LEU 72 2HB LEU 72 -2.346 6.868 1.679 557 HG LEU 72 HG LEU 72 -0.269 4.739 1.221 558 HD11 LEU 72 1HD1 LEU 72 1.011 7.095 1.773 559 HD12 LEU 72 2HD1 LEU 72 0.603 6.499 0.146 560 HD13 LEU 72 3HD1 LEU 72 -0.470 7.661 0.963 561 HD21 LEU 72 1HD2 LEU 72 -0.987 6.040 3.809 562 HD22 LEU 72 2HD2 LEU 72 -0.331 4.419 3.477 563 HD23 LEU 72 3HD2 LEU 72 0.737 5.841 3.416 564 H ASN 73 H ASN 73 -3.023 4.655 4.949 565 HA ASN 73 HA ASN 73 -3.916 5.660 6.653 566 HB2 ASN 73 1HB ASN 73 -3.810 7.849 4.667 567 HB3 ASN 73 2HB ASN 73 -5.130 8.065 5.799 568 HD21 ASN 73 1HD2 ASN 73 -1.748 8.123 5.288 569 HD22 ASN 73 2HD2 ASN 73 -1.234 8.600 6.871 570 H GLY 74 H GLY 74 -5.480 3.726 5.610 571 HA2 GLY 74 1HA GLY 74 -7.570 2.953 5.291 572 HA3 GLY 74 2HA GLY 74 -8.058 4.220 6.399 573 H GLN 75 H GLN 75 -6.594 4.569 3.108 574 HA GLN 75 HA GLN 75 -9.127 5.264 2.004 575 HB2 GLN 75 1HB GLN 75 -7.306 7.344 2.996 576 HB3 GLN 75 2HB GLN 75 -7.627 7.535 1.284 577 HG2 GLN 75 1HG GLN 75 -10.143 7.193 1.907 578 HG3 GLN 75 2HG GLN 75 -9.639 7.461 3.565 579 HE21 GLN 75 1HE2 GLN 75 -10.117 8.835 0.426 580 HE22 GLN 75 2HE2 GLN 75 -9.894 10.504 0.833 581 H PHE 76 H PHE 76 -9.119 4.458 -0.052 582 HA PHE 76 HA PHE 76 -7.070 3.149 -1.192 583 HB2 PHE 76 1HB PHE 76 -9.050 2.902 -2.410 584 HB3 PHE 76 2HB PHE 76 -9.591 4.519 -2.005 585 HD1 PHE 76 2HD PHE 76 -7.264 2.685 -4.250 586 HD2 PHE 76 1HD PHE 76 -9.525 6.218 -3.606 587 HE1 PHE 76 2HE PHE 76 -6.740 3.445 -6.584 588 HE2 PHE 76 1HE PHE 76 -9.000 6.979 -5.940 589 HZ PHE 76 HZ PHE 76 -7.614 5.583 -7.401 590 H LEU 77 H LEU 77 -5.072 3.678 -1.929 591 HA LEU 77 HA LEU 77 -4.589 6.491 -2.549 592 HB2 LEU 77 1HB LEU 77 -2.760 6.191 -1.370 593 HB3 LEU 77 2HB LEU 77 -3.174 4.507 -1.113 594 HG LEU 77 HG LEU 77 -2.081 4.105 -3.438 595 HD11 LEU 77 1HD1 LEU 77 -0.986 6.841 -2.745 596 HD12 LEU 77 2HD1 LEU 77 -0.220 5.724 -3.899 597 HD13 LEU 77 3HD1 LEU 77 -1.856 6.348 -4.218 598 HD21 LEU 77 1HD2 LEU 77 0.248 4.584 -1.962 599 HD22 LEU 77 2HD2 LEU 77 -1.017 4.265 -0.751 600 HD23 LEU 77 3HD2 LEU 77 -0.697 3.078 -2.038 601 H MET 78 H MET 78 -4.312 3.152 -3.872 602 HA MET 78 HA MET 78 -4.844 4.015 -6.445 603 HB2 MET 78 1HB MET 78 -2.665 3.868 -7.521 604 HB3 MET 78 2HB MET 78 -2.450 4.921 -6.137 605 HG2 MET 78 1HG MET 78 -1.775 2.741 -4.838 606 HG3 MET 78 2HG MET 78 -1.611 2.011 -6.422 607 HE1 MET 78 1HE MET 78 2.004 2.751 -5.176 608 HE2 MET 78 2HE MET 78 0.848 3.201 -3.899 609 HE3 MET 78 3HE MET 78 0.574 1.736 -4.873 610 H MET 79 H MET 79 -4.988 2.211 -7.958 611 HA MET 79 HA MET 79 -4.257 -0.361 -6.866 612 HB2 MET 79 1HB MET 79 -6.611 -1.210 -7.452 613 HB3 MET 79 2HB MET 79 -6.552 -0.132 -6.072 614 HG2 MET 79 1HG MET 79 -7.269 1.774 -7.463 615 HG3 MET 79 2HG MET 79 -7.180 0.798 -8.915 616 HE1 MET 79 1HE MET 79 -9.236 2.294 -6.443 617 HE2 MET 79 2HE MET 79 -9.946 2.363 -8.073 618 HE3 MET 79 3HE MET 79 -10.834 1.571 -6.749 619 H HIS 80 H HIS 80 -4.435 -2.133 -8.538 620 HA HIS 80 HA HIS 80 -4.469 -2.908 -10.635 621 HB2 HIS 80 1HB HIS 80 -4.551 -0.137 -11.812 622 HB3 HIS 80 2HB HIS 80 -5.069 -1.650 -12.529 623 HD1 HIS 80 1HD HIS 80 -6.965 0.817 -12.376 624 HD2 HIS 80 2HD HIS 80 -6.883 -2.295 -9.565 625 HE1 HIS 80 1HE HIS 80 -9.248 0.822 -11.237 626 H ARG 81 H ARG 81 -2.284 -1.349 -8.892 627 HA ARG 81 HA ARG 81 -0.109 -2.361 -9.965 628 HB2 ARG 81 1HB ARG 81 -0.987 -0.102 -11.636 629 HB3 ARG 81 2HB ARG 81 0.628 0.168 -11.012 630 HG2 ARG 81 1HG ARG 81 1.538 -1.638 -12.165 631 HG3 ARG 81 2HG ARG 81 0.059 -2.576 -12.090 632 HD2 ARG 81 1HD ARG 81 -0.970 -0.920 -13.755 633 HD3 ARG 81 2HD ARG 81 0.620 -0.202 -13.928 634 HE ARG 81 HE ARG 81 -0.243 -2.821 -14.952 635 HH11 ARG 81 2HH2 ARG 81 2.499 -0.766 -14.155 636 HH12 ARG 81 1HH2 ARG 81 3.599 -1.613 -15.190 637 HH21 ARG 81 2HH1 ARG 81 1.208 -3.940 -16.318 638 HH22 ARG 81 1HH1 ARG 81 2.859 -3.431 -16.429 639 H VAL 82 H VAL 82 1.923 -0.425 -9.650 640 HA VAL 82 HA VAL 82 1.262 0.816 -7.073 641 HB VAL 82 HB VAL 82 3.758 -0.728 -7.805 642 HG11 VAL 82 1HG1 VAL 82 3.100 1.124 -5.553 643 HG12 VAL 82 2HG1 VAL 82 4.044 -0.339 -5.181 644 HG13 VAL 82 3HG1 VAL 82 4.648 0.829 -6.382 645 HG21 VAL 82 1HG2 VAL 82 2.684 -2.527 -7.041 646 HG22 VAL 82 2HG2 VAL 82 2.538 -1.734 -5.454 647 HG23 VAL 82 3HG2 VAL 82 1.245 -1.550 -6.663 648 H ASN 83 H ASN 83 0.896 2.799 -8.266 649 HA ASN 83 HA ASN 83 2.915 3.795 -9.949 650 HB2 ASN 83 1HB ASN 83 0.501 5.069 -8.574 651 HB3 ASN 83 2HB ASN 83 1.563 5.997 -9.615 652 HD21 ASN 83 1HD2 ASN 83 -1.280 4.547 -9.568 653 HD22 ASN 83 2HD2 ASN 83 -1.455 3.995 -11.200 654 H THR 84 H THR 84 4.761 3.460 -8.334 655 HA THR 84 HA THR 84 5.074 4.451 -5.878 656 HB THR 84 HB THR 84 7.490 4.786 -6.560 657 HG1 THR 84 1HG THR 84 6.395 4.104 -9.183 658 HG21 THR 84 1HG2 THR 84 7.506 2.496 -6.432 659 HG22 THR 84 2HG2 THR 84 5.877 2.381 -7.142 660 HG23 THR 84 3HG2 THR 84 7.302 2.507 -8.201 661 H SER 85 H SER 85 5.544 6.472 -8.855 662 HA SER 85 HA SER 85 6.213 8.781 -7.785 663 HB2 SER 85 1HB SER 85 4.903 7.929 -10.185 664 HB3 SER 85 2HB SER 85 4.044 9.349 -9.621 665 HG SER 85 HG SER 85 6.903 9.151 -10.054 666 H LYS 86 H LYS 86 2.839 7.463 -7.896 667 HA LYS 86 HA LYS 86 1.680 9.695 -6.625 668 HB2 LYS 86 1HB LYS 86 0.764 7.479 -7.968 669 HB3 LYS 86 2HB LYS 86 0.325 7.096 -6.315 670 HG2 LYS 86 1HG LYS 86 -1.304 8.691 -6.265 671 HG3 LYS 86 2HG LYS 86 -0.245 9.911 -6.944 672 HD2 LYS 86 1HD LYS 86 -1.750 9.724 -8.699 673 HD3 LYS 86 2HD LYS 86 -0.600 8.499 -9.196 674 HE2 LYS 86 1HE LYS 86 -2.385 7.190 -7.396 675 HE3 LYS 86 2HE LYS 86 -3.398 8.182 -8.426 676 HZ1 LYS 86 1HZ LYS 86 -2.687 5.857 -9.192 677 HZ2 LYS 86 2HZ LYS 86 -2.705 7.075 -10.281 678 HZ3 LYS 86 3HZ LYS 86 -1.290 6.578 -9.634 679 H LEU 87 H LEU 87 2.399 6.355 -5.372 680 HA LEU 87 HA LEU 87 1.773 6.714 -2.782 681 HB2 LEU 87 1HB LEU 87 2.408 4.590 -3.390 682 HB3 LEU 87 2HB LEU 87 3.874 5.125 -4.186 683 HG LEU 87 HG LEU 87 4.885 5.605 -1.968 684 HD11 LEU 87 1HD1 LEU 87 2.609 4.115 -0.682 685 HD12 LEU 87 2HD1 LEU 87 3.865 5.130 0.067 686 HD13 LEU 87 3HD1 LEU 87 2.558 5.884 -0.878 687 HD21 LEU 87 1HD2 LEU 87 5.376 3.327 -1.402 688 HD22 LEU 87 2HD2 LEU 87 3.886 2.755 -2.191 689 HD23 LEU 87 3HD2 LEU 87 5.204 3.444 -3.170 690 H GLU 88 H GLU 88 5.152 7.223 -4.032 691 HA GLU 88 HA GLU 88 6.201 8.316 -1.831 692 HB2 GLU 88 1HB GLU 88 6.764 9.420 -4.611 693 HB3 GLU 88 2HB GLU 88 7.874 9.330 -3.258 694 HG2 GLU 88 1HG GLU 88 7.100 6.677 -3.511 695 HG3 GLU 88 2HG GLU 88 7.060 7.211 -5.180 696 H LYS 89 H LYS 89 4.539 10.166 -4.486 697 HA LYS 89 HA LYS 89 4.758 12.673 -3.462 698 HB2 LYS 89 1HB LYS 89 3.728 11.827 -5.667 699 HB3 LYS 89 2HB LYS 89 2.228 11.674 -4.774 700 HG2 LYS 89 1HG LYS 89 3.786 14.267 -4.611 701 HG3 LYS 89 2HG LYS 89 2.813 13.942 -6.031 702 HD2 LYS 89 1HD LYS 89 0.806 13.590 -4.586 703 HD3 LYS 89 2HD LYS 89 1.776 13.886 -3.157 704 HE2 LYS 89 1HE LYS 89 2.191 16.075 -5.010 705 HE3 LYS 89 2HE LYS 89 0.466 15.817 -4.838 706 HZ1 LYS 89 1HZ LYS 89 0.541 16.602 -2.791 707 HZ2 LYS 89 2HZ LYS 89 1.802 15.663 -2.351 708 HZ3 LYS 89 3HZ LYS 89 2.069 17.100 -3.079 709 H GLN 90 H GLN 90 2.436 10.082 -2.539 710 HA GLN 90 HA GLN 90 0.980 11.747 -0.817 711 HB2 GLN 90 1HB GLN 90 1.244 8.718 -1.010 712 HB3 GLN 90 2HB GLN 90 0.134 9.508 0.093 713 HG2 GLN 90 1HG GLN 90 0.150 9.797 -2.948 714 HG3 GLN 90 2HG GLN 90 -1.022 8.898 -2.006 715 HE21 GLN 90 1HE2 GLN 90 0.080 11.994 -3.058 716 HE22 GLN 90 2HE2 GLN 90 -1.220 12.962 -2.446 717 H LEU 91 H LEU 91 3.413 9.115 -0.171 718 HA LEU 91 HA LEU 91 3.604 9.196 2.484 719 HB2 LEU 91 1HB LEU 91 5.718 8.964 0.366 720 HB3 LEU 91 2HB LEU 91 6.147 8.895 2.063 721 HG LEU 91 HG LEU 91 4.018 7.081 0.942 722 HD11 LEU 91 1HD1 LEU 91 7.013 6.717 0.776 723 HD12 LEU 91 2HD1 LEU 91 5.864 5.359 0.710 724 HD13 LEU 91 3HD1 LEU 91 5.809 6.632 -0.532 725 HD21 LEU 91 1HD2 LEU 91 5.140 7.510 3.509 726 HD22 LEU 91 2HD2 LEU 91 3.952 6.283 3.008 727 HD23 LEU 91 3HD2 LEU 91 5.692 5.913 2.950 728 H ARG 92 H ARG 92 5.433 11.465 0.307 729 HA ARG 92 HA ARG 92 6.657 12.941 2.135 730 HB2 ARG 92 1HB ARG 92 5.231 13.818 -0.415 731 HB3 ARG 92 2HB ARG 92 6.208 14.938 0.514 732 HG2 ARG 92 1HG ARG 92 8.193 13.944 -0.109 733 HG3 ARG 92 2HG ARG 92 7.528 12.324 -0.044 734 HD2 ARG 92 1HD ARG 92 6.944 12.333 -2.268 735 HD3 ARG 92 2HD ARG 92 6.364 13.986 -2.213 736 HE ARG 92 HE ARG 92 9.212 14.029 -1.948 737 HH11 ARG 92 2HH2 ARG 92 6.743 13.312 -4.351 738 HH12 ARG 92 1HH2 ARG 92 7.751 13.727 -5.697 739 HH21 ARG 92 2HH1 ARG 92 10.542 14.577 -3.724 740 HH22 ARG 92 1HH1 ARG 92 9.927 14.451 -5.338 741 H LYS 93 H LYS 93 3.293 13.600 0.894 742 HA LYS 93 HA LYS 93 2.845 15.182 3.326 743 HB2 LYS 93 1HB LYS 93 1.868 15.439 0.501 744 HB3 LYS 93 2HB LYS 93 0.848 16.009 1.806 745 HG2 LYS 93 1HG LYS 93 3.611 16.867 2.236 746 HG3 LYS 93 2HG LYS 93 3.066 17.356 0.644 747 HD2 LYS 93 1HD LYS 93 1.678 18.945 1.500 748 HD3 LYS 93 2HD LYS 93 0.972 17.819 2.643 749 HE2 LYS 93 1HE LYS 93 2.013 19.393 4.061 750 HE3 LYS 93 2HE LYS 93 3.199 18.104 3.997 751 HZ1 LYS 93 1HZ LYS 93 3.959 19.530 1.932 752 HZ2 LYS 93 2HZ LYS 93 3.307 20.731 2.826 753 HZ3 LYS 93 3HZ LYS 93 4.510 19.815 3.443 754 H LEU 94 H LEU 94 2.241 13.552 4.765 755 HA LEU 94 HA LEU 94 -0.425 12.687 4.564 756 HB2 LEU 94 1HB LEU 94 0.883 11.166 2.924 757 HB3 LEU 94 2HB LEU 94 1.509 10.399 4.369 758 HG LEU 94 HG LEU 94 -0.808 9.887 5.090 759 HD11 LEU 94 1HD1 LEU 94 -2.438 10.053 2.950 760 HD12 LEU 94 2HD1 LEU 94 -2.348 11.293 4.224 761 HD13 LEU 94 3HD1 LEU 94 -1.456 11.516 2.700 762 HD21 LEU 94 1HD2 LEU 94 -1.183 8.442 2.772 763 HD22 LEU 94 2HD2 LEU 94 0.564 8.780 2.755 764 HD23 LEU 94 3HD2 LEU 94 -0.171 7.964 4.155 765 H SER 95 H SER 95 2.750 11.504 5.893 766 HA SER 95 HA SER 95 3.444 11.215 7.928 767 HB2 SER 95 1HB SER 95 2.280 13.730 7.969 768 HB3 SER 95 2HB SER 95 1.478 12.951 9.319 769 HG SER 95 HG SER 95 4.106 12.310 9.476 770 H GLY 96 H GLY 96 2.897 10.207 10.093 771 HA2 GLY 96 1HA GLY 96 1.060 8.136 9.844 772 HA3 GLY 96 2HA GLY 96 1.802 8.688 11.332 773 HA PRO 97 HA PRO 97 -2.583 9.621 11.793 774 HB2 PRO 97 1HB PRO 97 -2.880 8.609 14.314 775 HB3 PRO 97 2HB PRO 97 -3.200 7.678 12.864 776 HG2 PRO 97 1HG PRO 97 -0.890 7.511 14.701 777 HG3 PRO 97 2HG PRO 97 -1.440 6.339 13.520 778 HD2 PRO 97 1HD PRO 97 0.794 8.119 13.260 779 HD3 PRO 97 2HD PRO 97 0.174 7.031 12.035 780 H SER 98 H SER 98 -0.114 9.973 14.279 781 HA SER 98 HA SER 98 -1.454 12.268 15.296 782 HB2 SER 98 1HB SER 98 0.615 10.474 16.162 783 HB3 SER 98 2HB SER 98 1.287 12.092 16.197 784 HG SER 98 HG SER 98 -0.318 12.772 17.627 785 H SER 99 H SER 99 -0.224 14.424 15.517 786 HA SER 99 HA SER 99 0.593 15.191 12.928 787 HB2 SER 99 1HB SER 99 -0.468 16.470 15.178 788 HB3 SER 99 2HB SER 99 1.163 17.105 15.101 789 HG SER 99 HG SER 99 0.685 17.530 12.746 790 H GLY 100 H GLY 100 2.224 15.213 16.187 791 HA2 GLY 100 1HA GLY 100 4.647 14.151 15.263 792 HA3 GLY 100 2HA GLY 100 4.774 15.898 15.226 Start of MODEL 15 1 H1 GLY 1 H GLY 1 39.264 23.912 -4.078 2 HA2 GLY 1 1HA GLY 1 42.217 23.864 -4.230 3 HA3 GLY 1 2HA GLY 1 41.183 25.037 -5.021 4 H SER 2 H SER 2 40.058 26.668 -3.744 5 HA SER 2 HA SER 2 41.001 26.817 -0.998 6 HB2 SER 2 1HB SER 2 42.384 28.277 -2.571 7 HB3 SER 2 2HB SER 2 40.932 29.202 -2.894 8 HG SER 2 HG SER 2 42.009 28.784 -0.238 9 H SER 3 H SER 3 38.844 26.090 -0.394 10 HA SER 3 HA SER 3 37.096 28.129 0.139 11 HB2 SER 3 1HB SER 3 36.804 27.159 -2.555 12 HB3 SER 3 2HB SER 3 35.402 26.627 -1.648 13 HG SER 3 HG SER 3 36.333 29.307 -2.119 14 H GLY 4 H GLY 4 34.914 27.195 1.009 15 HA2 GLY 4 1HA GLY 4 34.965 24.339 1.560 16 HA3 GLY 4 2HA GLY 4 35.219 25.388 2.941 17 H SER 5 H SER 5 32.877 23.737 1.208 18 HA SER 5 HA SER 5 30.837 25.485 2.313 19 HB2 SER 5 1HB SER 5 29.442 25.250 0.324 20 HB3 SER 5 2HB SER 5 30.997 25.910 -0.143 21 HG SER 5 HG SER 5 30.366 24.225 -1.596 22 H SER 6 H SER 6 28.614 24.222 2.334 23 HA SER 6 HA SER 6 28.553 21.493 2.107 24 HB2 SER 6 1HB SER 6 30.200 21.987 4.190 25 HB3 SER 6 2HB SER 6 28.677 22.085 5.052 26 HG SER 6 HG SER 6 28.481 19.956 4.952 27 H GLY 7 H GLY 7 26.494 20.577 3.121 28 HA2 GLY 7 1HA GLY 7 24.604 22.704 3.900 29 HA3 GLY 7 2HA GLY 7 24.221 21.598 2.596 30 H ASN 8 H ASN 8 22.343 21.291 4.289 31 HA ASN 8 HA ASN 8 22.781 18.772 5.440 32 HB2 ASN 8 1HB ASN 8 23.339 21.019 7.141 33 HB3 ASN 8 2HB ASN 8 21.797 20.378 7.673 34 HD21 ASN 8 1HD2 ASN 8 22.689 19.665 9.599 35 HD22 ASN 8 2HD2 ASN 8 23.687 18.254 9.717 36 H LEU 9 H LEU 9 20.631 18.075 6.634 37 HA LEU 9 HA LEU 9 18.354 19.745 6.187 38 HB2 LEU 9 1HB LEU 9 19.105 18.428 3.970 39 HB3 LEU 9 2HB LEU 9 18.137 17.175 4.721 40 HG LEU 9 HG LEU 9 16.825 19.809 4.688 41 HD11 LEU 9 1HD1 LEU 9 16.244 19.350 2.161 42 HD12 LEU 9 2HD1 LEU 9 17.678 20.300 2.618 43 HD13 LEU 9 3HD1 LEU 9 17.854 18.590 2.156 44 HD21 LEU 9 1HD2 LEU 9 15.104 18.445 4.986 45 HD22 LEU 9 2HD2 LEU 9 15.334 17.817 3.336 46 HD23 LEU 9 3HD2 LEU 9 16.142 17.026 4.710 47 H SER 10 H SER 10 16.404 18.817 7.172 48 HA SER 10 HA SER 10 17.075 16.574 8.910 49 HB2 SER 10 1HB SER 10 16.159 19.300 9.599 50 HB3 SER 10 2HB SER 10 15.178 18.046 10.332 51 HG SER 10 HG SER 10 17.151 18.788 11.553 52 H ALA 11 H ALA 11 15.184 15.247 9.570 53 HA ALA 11 HA ALA 11 12.973 15.537 7.652 54 HB1 ALA 11 1HB ALA 11 14.683 13.273 8.465 55 HB2 ALA 11 2HB ALA 11 12.941 12.910 8.510 56 HB3 ALA 11 3HB ALA 11 13.691 13.489 7.003 57 H SER 12 H SER 12 13.797 14.119 10.903 58 HA SER 12 HA SER 12 12.638 13.940 12.733 59 HB2 SER 12 1HB SER 12 12.878 16.543 12.371 60 HB3 SER 12 2HB SER 12 11.149 16.498 12.089 61 HG SER 12 HG SER 12 10.774 15.799 14.183 62 H ASN 13 H ASN 13 11.404 12.070 12.064 63 HA ASN 13 HA ASN 13 8.623 12.752 11.546 64 HB2 ASN 13 1HB ASN 13 8.424 10.861 9.996 65 HB3 ASN 13 2HB ASN 13 9.756 11.866 9.459 66 HD21 ASN 13 1HD2 ASN 13 11.923 11.257 10.019 67 HD22 ASN 13 2HD2 ASN 13 12.350 9.592 10.232 68 H ARG 14 H ARG 14 7.099 11.033 12.377 69 HA ARG 14 HA ARG 14 8.309 9.013 14.009 70 HB2 ARG 14 1HB ARG 14 6.580 11.259 15.143 71 HB3 ARG 14 2HB ARG 14 6.777 9.733 15.981 72 HG2 ARG 14 1HG ARG 14 9.282 10.072 15.934 73 HG3 ARG 14 2HG ARG 14 9.031 11.636 15.186 74 HD2 ARG 14 1HD ARG 14 7.328 11.780 17.384 75 HD3 ARG 14 2HD ARG 14 8.648 10.817 18.017 76 HE ARG 14 HE ARG 14 9.580 13.157 16.533 77 HH11 ARG 14 2HH2 ARG 14 8.443 12.020 19.663 78 HH12 ARG 14 1HH2 ARG 14 9.220 13.290 20.549 79 HH21 ARG 14 2HH1 ARG 14 10.605 14.832 17.701 80 HH22 ARG 14 1HH1 ARG 14 10.458 14.900 19.426 81 H ALA 15 H ALA 15 7.007 7.159 14.039 82 HA ALA 15 HA ALA 15 5.280 5.824 13.669 83 HB1 ALA 15 1HB ALA 15 4.144 8.111 14.835 84 HB2 ALA 15 2HB ALA 15 3.121 7.773 13.417 85 HB3 ALA 15 3HB ALA 15 3.376 6.515 14.651 86 H LEU 16 H LEU 16 5.004 4.816 11.743 87 HA LEU 16 HA LEU 16 4.929 6.509 9.369 88 HB2 LEU 16 1HB LEU 16 5.350 3.527 9.581 89 HB3 LEU 16 2HB LEU 16 5.568 4.528 8.158 90 HG LEU 16 HG LEU 16 7.213 4.757 10.694 91 HD11 LEU 16 1HD1 LEU 16 7.343 2.826 8.589 92 HD12 LEU 16 2HD1 LEU 16 8.777 3.878 8.495 93 HD13 LEU 16 3HD1 LEU 16 8.401 3.018 10.008 94 HD21 LEU 16 1HD2 LEU 16 8.440 5.843 8.324 95 HD22 LEU 16 2HD2 LEU 16 6.846 6.588 8.589 96 HD23 LEU 16 3HD2 LEU 16 8.073 6.631 9.877 97 HA PRO 17 HA PRO 17 0.792 5.570 8.586 98 HB2 PRO 17 1HB PRO 17 0.664 5.656 5.857 99 HB3 PRO 17 2HB PRO 17 0.680 7.092 6.862 100 HG2 PRO 17 1HG PRO 17 2.857 5.957 5.215 101 HG3 PRO 17 2HG PRO 17 2.706 7.576 5.871 102 HD2 PRO 17 1HD PRO 17 4.377 5.469 6.869 103 HD3 PRO 17 2HD PRO 17 4.138 7.048 7.590 104 H VAL 18 H VAL 18 -0.851 4.103 7.643 105 HA VAL 18 HA VAL 18 0.442 1.484 7.362 106 HB VAL 18 HB VAL 18 -2.302 2.300 8.332 107 HG11 VAL 18 1HG1 VAL 18 -2.433 0.215 7.030 108 HG12 VAL 18 2HG1 VAL 18 -1.144 -0.493 8.033 109 HG13 VAL 18 3HG1 VAL 18 -2.713 -0.078 8.763 110 HG21 VAL 18 1HG2 VAL 18 0.241 1.447 9.660 111 HG22 VAL 18 2HG2 VAL 18 -0.966 2.655 10.163 112 HG23 VAL 18 3HG2 VAL 18 -1.303 0.920 10.372 113 H LEU 19 H LEU 19 0.577 0.762 5.306 114 HA LEU 19 HA LEU 19 -1.432 1.750 3.419 115 HB2 LEU 19 1HB LEU 19 0.835 2.298 2.839 116 HB3 LEU 19 2HB LEU 19 1.343 0.632 3.028 117 HG LEU 19 HG LEU 19 -0.506 0.237 1.139 118 HD11 LEU 19 1HD1 LEU 19 -0.978 1.978 -0.257 119 HD12 LEU 19 2HD1 LEU 19 -0.860 2.860 1.284 120 HD13 LEU 19 3HD1 LEU 19 0.512 2.863 0.149 121 HD21 LEU 19 1HD2 LEU 19 1.244 -0.295 -0.165 122 HD22 LEU 19 2HD2 LEU 19 1.980 1.319 -0.022 123 HD23 LEU 19 3HD2 LEU 19 2.210 0.119 1.272 124 H THR 20 H THR 20 -3.124 0.422 3.074 125 HA THR 20 HA THR 20 -2.930 -2.356 3.790 126 HB THR 20 HB THR 20 -5.253 -1.083 2.315 127 HG1 THR 20 1HG THR 20 -5.026 0.507 3.859 128 HG21 THR 20 1HG2 THR 20 -5.875 -3.228 3.092 129 HG22 THR 20 2HG2 THR 20 -4.811 -3.124 4.515 130 HG23 THR 20 3HG2 THR 20 -6.338 -2.210 4.476 131 H LEU 21 H LEU 21 -2.399 -4.041 2.547 132 HA LEU 21 HA LEU 21 -2.380 -3.551 -0.351 133 HB2 LEU 21 1HB LEU 21 -0.149 -3.675 0.121 134 HB3 LEU 21 2HB LEU 21 -0.367 -4.766 1.475 135 HG LEU 21 HG LEU 21 -0.667 -6.653 0.023 136 HD11 LEU 21 1HD1 LEU 21 -0.276 -6.120 -2.550 137 HD12 LEU 21 2HD1 LEU 21 -1.896 -6.099 -1.814 138 HD13 LEU 21 3HD1 LEU 21 -1.022 -4.573 -2.085 139 HD21 LEU 21 1HD2 LEU 21 1.685 -5.381 0.364 140 HD22 LEU 21 2HD2 LEU 21 1.511 -6.927 -0.500 141 HD23 LEU 21 3HD2 LEU 21 1.601 -5.402 -1.414 142 H PHE 22 H PHE 22 -3.847 -4.737 -1.439 143 HA PHE 22 HA PHE 22 -4.799 -7.173 -0.113 144 HB2 PHE 22 1HB PHE 22 -5.955 -5.207 -2.173 145 HB3 PHE 22 2HB PHE 22 -6.749 -6.724 -1.802 146 HD1 PHE 22 1HD PHE 22 -7.354 -7.131 0.691 147 HD2 PHE 22 2HD PHE 22 -6.440 -3.311 -0.915 148 HE1 PHE 22 1HE PHE 22 -8.543 -6.038 2.613 149 HE2 PHE 22 2HE PHE 22 -7.628 -2.218 1.006 150 HZ PHE 22 HZ PHE 22 -8.666 -3.595 2.747 151 H THR 23 H THR 23 -3.513 -8.831 -0.891 152 HA THR 23 HA THR 23 -3.259 -8.987 -3.823 153 HB THR 23 HB THR 23 -1.062 -8.771 -2.887 154 HG1 THR 23 1HG THR 23 -0.320 -10.881 -3.435 155 HG21 THR 23 1HG2 THR 23 -1.492 -9.095 -0.491 156 HG22 THR 23 2HG2 THR 23 -2.024 -10.770 -0.776 157 HG23 THR 23 3HG2 THR 23 -0.316 -10.327 -1.009 158 H LYS 24 H LYS 24 -2.907 -11.416 -4.513 159 HA LYS 24 HA LYS 24 -4.329 -13.321 -2.954 160 HB2 LYS 24 1HB LYS 24 -6.285 -13.601 -4.283 161 HB3 LYS 24 2HB LYS 24 -6.206 -11.913 -3.822 162 HG2 LYS 24 1HG LYS 24 -5.841 -11.192 -5.983 163 HG3 LYS 24 2HG LYS 24 -4.823 -12.561 -6.384 164 HD2 LYS 24 1HD LYS 24 -7.312 -13.766 -6.022 165 HD3 LYS 24 2HD LYS 24 -7.750 -12.223 -6.728 166 HE2 LYS 24 1HE LYS 24 -5.443 -13.305 -8.138 167 HE3 LYS 24 2HE LYS 24 -6.702 -14.522 -8.070 168 HZ1 LYS 24 1HZ LYS 24 -6.702 -11.984 -9.412 169 HZ2 LYS 24 2HZ LYS 24 -7.459 -13.375 -9.811 170 HZ3 LYS 24 3HZ LYS 24 -8.113 -12.382 -8.692 171 H ALA 25 H ALA 25 -4.882 -15.273 -4.731 172 HA ALA 25 HA ALA 25 -2.797 -15.408 -6.718 173 HB1 ALA 25 1HB ALA 25 -1.727 -16.033 -4.493 174 HB2 ALA 25 2HB ALA 25 -2.826 -17.432 -4.451 175 HB3 ALA 25 3HB ALA 25 -1.634 -17.277 -5.763 176 HA PRO 26 HA PRO 26 -2.083 -16.871 -7.868 177 HB2 PRO 26 1HB PRO 26 -2.327 -17.275 -10.560 178 HB3 PRO 26 2HB PRO 26 -1.913 -18.551 -9.433 179 HG2 PRO 26 1HG PRO 26 -4.484 -18.051 -10.804 180 HG3 PRO 26 2HG PRO 26 -3.921 -19.518 -10.029 181 HD2 PRO 26 1HD PRO 26 -5.822 -17.645 -8.979 182 HD3 PRO 26 2HD PRO 26 -5.171 -19.049 -8.158 183 H CYS 27 H CYS 27 -1.036 -14.996 -8.319 184 HA CYS 27 HA CYS 27 -2.232 -13.174 -10.124 185 HB2 CYS 27 1HB CYS 27 -3.243 -13.023 -7.494 186 HB3 CYS 27 2HB CYS 27 -2.111 -11.693 -7.633 187 HG CYS 27 HG CYS 27 -4.187 -10.525 -8.311 188 HA PRO 28 HA PRO 28 2.153 -12.618 -9.761 189 HB2 PRO 28 1HB PRO 28 2.559 -11.619 -12.272 190 HB3 PRO 28 2HB PRO 28 2.568 -13.334 -11.910 191 HG2 PRO 28 1HG PRO 28 0.475 -11.733 -13.251 192 HG3 PRO 28 2HG PRO 28 0.700 -13.471 -13.257 193 HD2 PRO 28 1HD PRO 28 -1.239 -11.997 -11.741 194 HD3 PRO 28 2HD PRO 28 -0.936 -13.722 -11.661 195 H LEU 29 H LEU 29 0.030 -10.183 -11.153 196 HA LEU 29 HA LEU 29 1.615 -7.999 -10.866 197 HB2 LEU 29 1HB LEU 29 -1.308 -7.975 -10.155 198 HB3 LEU 29 2HB LEU 29 -0.352 -6.705 -10.893 199 HG LEU 29 HG LEU 29 -1.373 -9.251 -12.149 200 HD11 LEU 29 1HD1 LEU 29 -3.019 -7.709 -12.472 201 HD12 LEU 29 2HD1 LEU 29 -1.897 -6.328 -12.438 202 HD13 LEU 29 3HD1 LEU 29 -2.006 -7.351 -13.891 203 HD21 LEU 29 1HD2 LEU 29 0.957 -7.565 -12.983 204 HD22 LEU 29 2HD2 LEU 29 0.728 -9.328 -13.070 205 HD23 LEU 29 3HD2 LEU 29 -0.104 -8.264 -14.229 206 H CYS 30 H CYS 30 -0.753 -9.148 -8.353 207 HA CYS 30 HA CYS 30 -0.137 -7.466 -6.370 208 HB2 CYS 30 1HB CYS 30 -0.679 -10.441 -6.113 209 HB3 CYS 30 2HB CYS 30 -0.731 -9.305 -4.780 210 HG CYS 30 HG CYS 30 -2.531 -9.456 -7.544 211 H ASP 31 H ASP 31 1.466 -10.705 -6.870 212 HA ASP 31 HA ASP 31 3.337 -10.579 -4.988 213 HB2 ASP 31 1HB ASP 31 2.953 -12.402 -6.732 214 HB3 ASP 31 2HB ASP 31 3.891 -11.447 -7.863 215 H GLU 32 H GLU 32 3.654 -9.310 -8.394 216 HA GLU 32 HA GLU 32 6.171 -8.260 -8.104 217 HB2 GLU 32 1HB GLU 32 4.375 -8.483 -10.151 218 HB3 GLU 32 2HB GLU 32 4.258 -6.761 -9.845 219 HG2 GLU 32 1HG GLU 32 6.177 -6.458 -11.009 220 HG3 GLU 32 2HG GLU 32 7.040 -7.338 -9.763 221 H ALA 33 H ALA 33 2.950 -6.606 -7.766 222 HA ALA 33 HA ALA 33 3.626 -4.091 -7.256 223 HB1 ALA 33 1HB ALA 33 1.436 -4.106 -6.765 224 HB2 ALA 33 2HB ALA 33 1.475 -5.874 -6.564 225 HB3 ALA 33 3HB ALA 33 1.810 -4.813 -5.175 226 H LYS 34 H LYS 34 3.633 -6.676 -4.694 227 HA LYS 34 HA LYS 34 4.612 -5.196 -2.639 228 HB2 LYS 34 1HB LYS 34 5.141 -8.091 -3.358 229 HB3 LYS 34 2HB LYS 34 5.577 -7.377 -1.819 230 HG2 LYS 34 1HG LYS 34 3.388 -7.248 -1.093 231 HG3 LYS 34 2HG LYS 34 2.766 -6.866 -2.685 232 HD2 LYS 34 1HD LYS 34 1.989 -9.015 -2.681 233 HD3 LYS 34 2HD LYS 34 3.636 -9.450 -3.092 234 HE2 LYS 34 1HE LYS 34 4.039 -9.439 -0.482 235 HE3 LYS 34 2HE LYS 34 2.293 -9.526 -0.370 236 HZ1 LYS 34 1HZ LYS 34 3.383 -11.367 -2.246 237 HZ2 LYS 34 2HZ LYS 34 3.927 -11.618 -0.727 238 HZ3 LYS 34 3HZ LYS 34 2.322 -11.625 -1.031 239 H GLU 35 H GLU 35 6.524 -6.911 -5.197 240 HA GLU 35 HA GLU 35 8.994 -6.261 -4.240 241 HB2 GLU 35 1HB GLU 35 8.283 -6.366 -7.198 242 HB3 GLU 35 2HB GLU 35 9.818 -6.774 -6.458 243 HG2 GLU 35 1HG GLU 35 8.361 -8.539 -5.092 244 HG3 GLU 35 2HG GLU 35 7.219 -8.324 -6.404 245 H VAL 36 H VAL 36 6.569 -4.236 -5.793 246 HA VAL 36 HA VAL 36 8.462 -2.179 -6.491 247 HB VAL 36 HB VAL 36 5.446 -2.054 -6.439 248 HG11 VAL 36 1HG1 VAL 36 7.278 -0.633 -8.366 249 HG12 VAL 36 2HG1 VAL 36 5.617 -0.224 -7.874 250 HG13 VAL 36 3HG1 VAL 36 6.968 0.034 -6.745 251 HG21 VAL 36 1HG2 VAL 36 5.363 -2.918 -8.656 252 HG22 VAL 36 2HG2 VAL 36 7.137 -2.897 -8.808 253 HG23 VAL 36 3HG2 VAL 36 6.351 -4.056 -7.709 254 H LEU 37 H LEU 37 6.733 -3.248 -3.687 255 HA LEU 37 HA LEU 37 6.937 -0.584 -2.490 256 HB2 LEU 37 1HB LEU 37 5.402 -3.050 -1.662 257 HB3 LEU 37 2HB LEU 37 5.505 -1.583 -0.708 258 HG LEU 37 HG LEU 37 4.093 -2.045 -3.324 259 HD11 LEU 37 1HD1 LEU 37 3.299 -0.955 -0.617 260 HD12 LEU 37 2HD1 LEU 37 2.263 -0.845 -2.060 261 HD13 LEU 37 3HD1 LEU 37 2.734 -2.438 -1.422 262 HD21 LEU 37 1HD2 LEU 37 5.077 0.598 -2.246 263 HD22 LEU 37 2HD2 LEU 37 5.272 -0.087 -3.877 264 HD23 LEU 37 3HD2 LEU 37 3.672 0.470 -3.332 265 H GLN 38 H GLN 38 8.836 -3.236 -2.997 266 HA GLN 38 HA GLN 38 9.704 -4.066 -0.572 267 HB2 GLN 38 1HB GLN 38 10.592 -4.202 -3.284 268 HB3 GLN 38 2HB GLN 38 11.983 -3.713 -2.336 269 HG2 GLN 38 1HG GLN 38 10.463 -5.836 -0.983 270 HG3 GLN 38 2HG GLN 38 10.953 -6.331 -2.591 271 HE21 GLN 38 1HE2 GLN 38 12.618 -3.982 -0.563 272 HE22 GLN 38 2HE2 GLN 38 14.068 -4.890 -0.292 273 HA PRO 39 HA PRO 39 12.611 -0.318 -0.440 274 HB2 PRO 39 1HB PRO 39 12.310 1.711 -2.246 275 HB3 PRO 39 2HB PRO 39 13.469 0.412 -2.448 276 HG2 PRO 39 1HG PRO 39 10.890 0.827 -3.832 277 HG3 PRO 39 2HG PRO 39 12.235 -0.194 -4.301 278 HD2 PRO 39 1HD PRO 39 9.764 -1.047 -3.120 279 HD3 PRO 39 2HD PRO 39 11.155 -2.050 -3.481 280 H TYR 40 H TYR 40 9.373 -0.430 -0.498 281 HA TYR 40 HA TYR 40 9.214 2.087 1.021 282 HB2 TYR 40 1HB TYR 40 7.184 0.507 -0.679 283 HB3 TYR 40 2HB TYR 40 6.767 1.949 0.225 284 HD1 TYR 40 1HD TYR 40 7.533 4.168 -0.513 285 HD2 TYR 40 2HD TYR 40 8.464 0.643 -2.752 286 HE1 TYR 40 1HE TYR 40 8.178 5.600 -2.513 287 HE2 TYR 40 2HE TYR 40 9.105 2.087 -4.744 288 HH TYR 40 HH TYR 40 9.794 4.263 -5.240 289 H LYS 41 H LYS 41 9.737 -0.983 1.649 290 HA LYS 41 HA LYS 41 7.461 -1.749 3.158 291 HB2 LYS 41 1HB LYS 41 10.311 -2.762 3.039 292 HB3 LYS 41 2HB LYS 41 9.080 -3.485 4.054 293 HG2 LYS 41 1HG LYS 41 7.629 -3.767 1.980 294 HG3 LYS 41 2HG LYS 41 8.976 -3.195 1.015 295 HD2 LYS 41 1HD LYS 41 10.139 -5.166 1.222 296 HD3 LYS 41 2HD LYS 41 9.703 -5.367 2.908 297 HE2 LYS 41 1HE LYS 41 7.252 -5.713 1.609 298 HE3 LYS 41 2HE LYS 41 8.381 -6.441 0.484 299 HZ1 LYS 41 1HZ LYS 41 8.283 -8.175 1.828 300 HZ2 LYS 41 2HZ LYS 41 9.207 -7.340 2.885 301 HZ3 LYS 41 3HZ LYS 41 7.582 -7.346 3.048 302 H ASP 42 H ASP 42 10.661 -0.257 3.935 303 HA ASP 42 HA ASP 42 9.986 -0.122 6.688 304 HB2 ASP 42 1HB ASP 42 12.317 0.247 5.030 305 HB3 ASP 42 2HB ASP 42 12.107 1.710 5.971 306 H ARG 43 H ARG 43 9.133 1.613 3.872 307 HA ARG 43 HA ARG 43 9.245 4.222 4.900 308 HB2 ARG 43 1HB ARG 43 7.902 2.889 2.529 309 HB3 ARG 43 2HB ARG 43 7.477 4.542 2.927 310 HG2 ARG 43 1HG ARG 43 10.376 3.662 2.609 311 HG3 ARG 43 2HG ARG 43 9.417 4.189 1.241 312 HD2 ARG 43 1HD ARG 43 10.321 6.240 1.846 313 HD3 ARG 43 2HD ARG 43 8.887 6.279 2.852 314 HE ARG 43 HE ARG 43 10.986 4.949 4.287 315 HH11 ARG 43 2HH2 ARG 43 10.072 8.157 3.167 316 HH12 ARG 43 1HH2 ARG 43 10.929 8.980 4.427 317 HH21 ARG 43 2HH1 ARG 43 12.116 6.034 5.950 318 HH22 ARG 43 1HH1 ARG 43 12.099 7.765 6.021 319 H PHE 44 H PHE 44 6.946 1.528 5.046 320 HA PHE 44 HA PHE 44 5.420 2.881 7.026 321 HB2 PHE 44 1HB PHE 44 3.266 2.563 5.581 322 HB3 PHE 44 2HB PHE 44 4.305 3.899 5.124 323 HD1 PHE 44 2HD PHE 44 4.063 0.240 4.375 324 HD2 PHE 44 1HD PHE 44 4.629 4.166 2.868 325 HE1 PHE 44 2HE PHE 44 4.217 -0.678 2.044 326 HE2 PHE 44 1HE PHE 44 4.783 3.249 0.536 327 HZ PHE 44 HZ PHE 44 4.575 0.838 0.152 328 H ILE 45 H ILE 45 3.237 1.391 7.352 329 HA ILE 45 HA ILE 45 4.340 -1.293 7.602 330 HB ILE 45 HB ILE 45 2.050 0.161 8.911 331 HG12 ILE 45 1HG1 ILE 45 4.411 -1.163 10.242 332 HG13 ILE 45 2HG1 ILE 45 4.535 0.458 9.588 333 HG21 ILE 45 1HG2 ILE 45 1.014 -1.745 9.359 334 HG22 ILE 45 2HG2 ILE 45 2.212 -2.636 8.391 335 HG23 ILE 45 3HG2 ILE 45 2.488 -2.377 10.130 336 HD11 ILE 45 1HD1 ILE 45 3.605 1.237 11.498 337 HD12 ILE 45 2HD1 ILE 45 2.090 0.424 11.037 338 HD13 ILE 45 3HD1 ILE 45 3.278 -0.421 12.059 339 H LEU 46 H LEU 46 4.115 -2.322 5.637 340 HA LEU 46 HA LEU 46 1.785 -1.966 4.050 341 HB2 LEU 46 1HB LEU 46 4.012 -2.430 3.135 342 HB3 LEU 46 2HB LEU 46 4.008 -4.007 3.900 343 HG LEU 46 HG LEU 46 2.036 -4.645 2.518 344 HD11 LEU 46 1HD1 LEU 46 0.827 -2.951 1.697 345 HD12 LEU 46 2HD1 LEU 46 2.194 -1.812 1.762 346 HD13 LEU 46 3HD1 LEU 46 2.028 -2.926 0.383 347 HD21 LEU 46 1HD2 LEU 46 3.731 -5.584 1.411 348 HD22 LEU 46 2HD2 LEU 46 3.559 -4.240 0.256 349 HD23 LEU 46 3HD2 LEU 46 4.757 -4.138 1.568 350 H GLN 47 H GLN 47 -0.184 -2.717 4.610 351 HA GLN 47 HA GLN 47 -0.279 -5.045 6.312 352 HB2 GLN 47 1HB GLN 47 -1.695 -2.719 6.382 353 HB3 GLN 47 2HB GLN 47 -2.794 -3.687 5.420 354 HG2 GLN 47 1HG GLN 47 -2.053 -3.955 8.291 355 HG3 GLN 47 2HG GLN 47 -3.554 -4.363 7.485 356 HE21 GLN 47 1HE2 GLN 47 -0.528 -5.457 8.640 357 HE22 GLN 47 2HE2 GLN 47 -0.651 -7.130 8.209 358 H GLU 48 H GLU 48 -0.075 -6.947 5.173 359 HA GLU 48 HA GLU 48 -1.191 -7.111 2.548 360 HB2 GLU 48 1HB GLU 48 0.720 -8.631 4.192 361 HB3 GLU 48 2HB GLU 48 -0.359 -9.683 3.298 362 HG2 GLU 48 1HG GLU 48 0.443 -8.996 1.228 363 HG3 GLU 48 2HG GLU 48 0.779 -7.365 1.773 364 H VAL 49 H VAL 49 -3.430 -7.166 2.535 365 HA VAL 49 HA VAL 49 -4.754 -8.878 4.481 366 HB VAL 49 HB VAL 49 -5.793 -6.887 2.455 367 HG11 VAL 49 1HG1 VAL 49 -7.157 -8.865 4.194 368 HG12 VAL 49 2HG1 VAL 49 -7.828 -7.217 4.220 369 HG13 VAL 49 3HG1 VAL 49 -7.694 -8.099 2.680 370 HG21 VAL 49 1HG2 VAL 49 -5.402 -5.305 3.975 371 HG22 VAL 49 2HG2 VAL 49 -6.335 -6.206 5.195 372 HG23 VAL 49 3HG2 VAL 49 -4.593 -6.514 5.001 373 H ASP 50 H ASP 50 -5.739 -10.807 3.972 374 HA ASP 50 HA ASP 50 -5.201 -11.747 1.299 375 HB2 ASP 50 1HB ASP 50 -5.866 -13.006 3.959 376 HB3 ASP 50 2HB ASP 50 -6.267 -13.909 2.512 377 H ILE 51 H ILE 51 -6.876 -11.127 -0.112 378 HA ILE 51 HA ILE 51 -9.576 -10.959 0.862 379 HB ILE 51 HB ILE 51 -10.063 -10.247 -1.448 380 HG12 ILE 51 1HG1 ILE 51 -7.113 -10.263 -2.036 381 HG13 ILE 51 2HG1 ILE 51 -8.076 -11.693 -2.351 382 HG21 ILE 51 1HG2 ILE 51 -7.678 -8.685 -0.499 383 HG22 ILE 51 2HG2 ILE 51 -9.221 -8.108 -1.172 384 HG23 ILE 51 3HG2 ILE 51 -9.161 -8.762 0.482 385 HD11 ILE 51 1HD1 ILE 51 -9.721 -10.011 -3.561 386 HD12 ILE 51 2HD1 ILE 51 -8.293 -8.948 -3.603 387 HD13 ILE 51 3HD1 ILE 51 -8.239 -10.543 -4.392 388 H THR 52 H THR 52 -7.478 -13.370 -0.487 389 HA THR 52 HA THR 52 -9.398 -14.893 -1.882 390 HB THR 52 HB THR 52 -7.620 -16.570 -1.873 391 HG1 THR 52 1HG THR 52 -6.442 -14.857 0.191 392 HG21 THR 52 1HG2 THR 52 -5.611 -14.511 -1.636 393 HG22 THR 52 2HG2 THR 52 -6.258 -15.235 -3.128 394 HG23 THR 52 3HG2 THR 52 -7.033 -13.792 -2.430 395 H LEU 53 H LEU 53 -9.134 -14.155 1.438 396 HA LEU 53 HA LEU 53 -10.145 -16.688 2.352 397 HB2 LEU 53 1HB LEU 53 -9.562 -14.040 3.661 398 HB3 LEU 53 2HB LEU 53 -10.367 -15.342 4.515 399 HG LEU 53 HG LEU 53 -7.653 -15.641 3.207 400 HD11 LEU 53 1HD1 LEU 53 -6.645 -14.644 4.917 401 HD12 LEU 53 2HD1 LEU 53 -8.243 -14.053 5.432 402 HD13 LEU 53 3HD1 LEU 53 -7.597 -15.570 6.102 403 HD21 LEU 53 1HD2 LEU 53 -9.471 -17.528 4.264 404 HD22 LEU 53 2HD2 LEU 53 -7.790 -17.788 3.738 405 HD23 LEU 53 3HD2 LEU 53 -8.139 -17.385 5.436 406 HA PRO 54 HA PRO 54 -14.344 -15.757 2.014 407 HB2 PRO 54 1HB PRO 54 -15.444 -17.090 4.131 408 HB3 PRO 54 2HB PRO 54 -14.964 -17.883 2.644 409 HG2 PRO 54 1HG PRO 54 -13.616 -17.905 5.275 410 HG3 PRO 54 2HG PRO 54 -13.405 -19.002 3.924 411 HD2 PRO 54 1HD PRO 54 -11.640 -16.880 4.705 412 HD3 PRO 54 2HD PRO 54 -11.489 -17.901 3.288 413 H GLU 55 H GLU 55 -13.208 -15.314 5.317 414 HA GLU 55 HA GLU 55 -15.268 -13.582 5.999 415 HB2 GLU 55 1HB GLU 55 -13.848 -12.998 7.932 416 HB3 GLU 55 2HB GLU 55 -13.845 -14.729 7.660 417 HG2 GLU 55 1HG GLU 55 -11.676 -14.515 6.410 418 HG3 GLU 55 2HG GLU 55 -11.676 -12.791 6.723 419 H ASN 56 H ASN 56 -12.429 -13.181 4.011 420 HA ASN 56 HA ASN 56 -12.646 -10.295 4.269 421 HB2 ASN 56 1HB ASN 56 -10.504 -12.064 2.977 422 HB3 ASN 56 2HB ASN 56 -10.461 -10.313 2.949 423 HD21 ASN 56 1HD2 ASN 56 -8.569 -12.151 4.102 424 HD22 ASN 56 2HD2 ASN 56 -8.441 -11.802 5.794 425 H SER 57 H SER 57 -13.960 -12.813 2.535 426 HA SER 57 HA SER 57 -13.589 -12.510 -0.062 427 HB2 SER 57 1HB SER 57 -15.219 -14.073 0.940 428 HB3 SER 57 2HB SER 57 -16.286 -12.742 1.346 429 HG SER 57 HG SER 57 -15.529 -12.876 -1.372 430 H THR 58 H THR 58 -15.681 -10.388 2.002 431 HA THR 58 HA THR 58 -16.798 -8.775 0.123 432 HB THR 58 HB THR 58 -15.724 -8.305 2.934 433 HG1 THR 58 1HG THR 58 -18.262 -8.564 1.490 434 HG21 THR 58 1HG2 THR 58 -15.788 -6.092 1.629 435 HG22 THR 58 2HG2 THR 58 -17.517 -6.404 1.345 436 HG23 THR 58 3HG2 THR 58 -16.914 -6.179 3.005 437 H TRP 59 H TRP 59 -13.473 -8.445 1.506 438 HA TRP 59 HA TRP 59 -12.799 -6.125 0.164 439 HB2 TRP 59 1HB TRP 59 -11.249 -8.432 1.283 440 HB3 TRP 59 2HB TRP 59 -10.421 -7.211 0.338 441 HD1 TRP 59 HD TRP 59 -11.346 -7.878 3.833 442 HE1 TRP 59 1HE TRP 59 -11.160 -5.771 5.410 443 HE3 TRP 59 3HE TRP 59 -11.028 -4.451 0.090 444 HZ2 TRP 59 2HZ TRP 59 -10.907 -2.970 4.927 445 HZ3 TRP 59 3HZ TRP 59 -10.814 -2.051 0.729 446 HH2 TRP 59 HH TRP 59 -10.751 -1.291 3.052 447 H TYR 60 H TYR 60 -12.799 -9.580 -0.843 448 HA TYR 60 HA TYR 60 -11.525 -9.064 -3.337 449 HB2 TYR 60 1HB TYR 60 -11.772 -11.234 -1.849 450 HB3 TYR 60 2HB TYR 60 -13.400 -11.348 -2.487 451 HD1 TYR 60 2HD TYR 60 -13.736 -11.682 -4.972 452 HD2 TYR 60 1HD TYR 60 -9.889 -11.966 -3.120 453 HE1 TYR 60 2HE TYR 60 -12.847 -12.941 -6.994 454 HE2 TYR 60 1HE TYR 60 -9.014 -13.225 -5.149 455 HH TYR 60 HH TYR 60 -10.879 -14.690 -7.301 456 H GLU 61 H GLU 61 -14.939 -9.827 -2.347 457 HA GLU 61 HA GLU 61 -16.040 -9.765 -4.822 458 HB2 GLU 61 1HB GLU 61 -17.107 -9.031 -2.084 459 HB3 GLU 61 2HB GLU 61 -18.137 -8.884 -3.494 460 HG2 GLU 61 1HG GLU 61 -16.702 -11.452 -3.476 461 HG3 GLU 61 2HG GLU 61 -17.641 -11.234 -2.012 462 H ARG 62 H ARG 62 -14.748 -7.112 -2.917 463 HA ARG 62 HA ARG 62 -16.103 -5.199 -4.605 464 HB2 ARG 62 1HB ARG 62 -15.333 -3.510 -3.023 465 HB3 ARG 62 2HB ARG 62 -15.967 -4.854 -2.095 466 HG2 ARG 62 1HG ARG 62 -13.775 -5.651 -1.528 467 HG3 ARG 62 2HG ARG 62 -13.009 -4.697 -2.782 468 HD2 ARG 62 1HD ARG 62 -14.218 -3.716 -0.166 469 HD3 ARG 62 2HD ARG 62 -12.565 -3.536 -0.722 470 HE ARG 62 HE ARG 62 -13.935 -2.203 -2.679 471 HH11 ARG 62 2HH2 ARG 62 -14.117 -2.036 0.831 472 HH12 ARG 62 1HH2 ARG 62 -14.601 -0.373 0.854 473 HH21 ARG 62 2HH1 ARG 62 -14.573 -0.009 -2.649 474 HH22 ARG 62 1HH1 ARG 62 -14.862 0.788 -1.138 475 H TYR 63 H TYR 63 -12.972 -6.735 -4.001 476 HA TYR 63 HA TYR 63 -11.864 -5.206 -6.241 477 HB2 TYR 63 1HB TYR 63 -10.667 -5.862 -3.478 478 HB3 TYR 63 2HB TYR 63 -9.692 -5.265 -4.807 479 HD1 TYR 63 2HD TYR 63 -11.372 -3.150 -5.972 480 HD2 TYR 63 1HD TYR 63 -10.711 -4.174 -1.871 481 HE1 TYR 63 2HE TYR 63 -11.903 -0.761 -5.283 482 HE2 TYR 63 1HE TYR 63 -11.245 -1.781 -1.196 483 HH TYR 63 HH TYR 63 -11.292 0.371 -2.088 484 H LYS 64 H LYS 64 -12.624 -7.311 -7.281 485 HA LYS 64 HA LYS 64 -10.679 -9.443 -6.736 486 HB2 LYS 64 1HB LYS 64 -12.315 -10.985 -7.683 487 HB3 LYS 64 2HB LYS 64 -12.990 -10.109 -6.325 488 HG2 LYS 64 1HG LYS 64 -13.974 -8.449 -8.030 489 HG3 LYS 64 2HG LYS 64 -13.485 -9.568 -9.286 490 HD2 LYS 64 1HD LYS 64 -15.183 -11.031 -8.819 491 HD3 LYS 64 2HD LYS 64 -14.952 -10.897 -7.087 492 HE2 LYS 64 1HE LYS 64 -15.971 -8.403 -7.622 493 HE3 LYS 64 2HE LYS 64 -16.752 -9.326 -8.889 494 HZ1 LYS 64 1HZ LYS 64 -17.550 -9.203 -6.326 495 HZ2 LYS 64 2HZ LYS 64 -18.032 -10.327 -7.408 496 HZ3 LYS 64 3HZ LYS 64 -16.805 -10.655 -6.381 497 H PHE 65 H PHE 65 -11.622 -6.926 -8.887 498 HA PHE 65 HA PHE 65 -9.893 -8.112 -10.936 499 HB2 PHE 65 1HB PHE 65 -11.551 -6.619 -12.442 500 HB3 PHE 65 2HB PHE 65 -12.030 -8.236 -11.967 501 HD1 PHE 65 2HD PHE 65 -12.280 -4.699 -10.815 502 HD2 PHE 65 1HD PHE 65 -14.067 -8.547 -10.905 503 HE1 PHE 65 2HE PHE 65 -14.339 -3.768 -9.723 504 HE2 PHE 65 1HE PHE 65 -16.127 -7.616 -9.813 505 HZ PHE 65 HZ PHE 65 -16.238 -5.238 -9.235 506 H ASP 66 H ASP 66 -10.042 -5.843 -8.604 507 HA ASP 66 HA ASP 66 -9.025 -3.716 -10.301 508 HB2 ASP 66 1HB ASP 66 -9.450 -3.411 -7.327 509 HB3 ASP 66 2HB ASP 66 -9.595 -2.201 -8.586 510 H ILE 67 H ILE 67 -8.399 -5.659 -7.299 511 HA ILE 67 HA ILE 67 -6.119 -4.697 -6.348 512 HB ILE 67 HB ILE 67 -5.453 -7.143 -5.980 513 HG12 ILE 67 1HG1 ILE 67 -8.099 -7.526 -7.404 514 HG13 ILE 67 2HG1 ILE 67 -6.537 -8.171 -7.868 515 HG21 ILE 67 1HG2 ILE 67 -7.916 -7.283 -4.705 516 HG22 ILE 67 2HG2 ILE 67 -6.429 -6.537 -4.074 517 HG23 ILE 67 3HG2 ILE 67 -7.638 -5.538 -4.916 518 HD11 ILE 67 1HD1 ILE 67 -7.265 -10.029 -6.736 519 HD12 ILE 67 2HD1 ILE 67 -6.697 -9.133 -5.307 520 HD13 ILE 67 3HD1 ILE 67 -8.420 -9.099 -5.752 521 HA PRO 68 HA PRO 68 -4.301 -5.645 -5.643 522 HB2 PRO 68 1HB PRO 68 -1.839 -4.495 -5.349 523 HB3 PRO 68 2HB PRO 68 -2.075 -6.223 -5.524 524 HG2 PRO 68 1HG PRO 68 -1.073 -4.279 -7.513 525 HG3 PRO 68 2HG PRO 68 -0.921 -6.025 -7.510 526 HD2 PRO 68 1HD PRO 68 -2.727 -4.462 -9.098 527 HD3 PRO 68 2HD PRO 68 -2.654 -6.211 -9.010 528 H VAL 69 H VAL 69 -5.178 -4.292 -4.183 529 HA VAL 69 HA VAL 69 -5.301 -1.519 -5.124 530 HB VAL 69 HB VAL 69 -7.037 -3.133 -3.250 531 HG11 VAL 69 1HG1 VAL 69 -6.859 -0.854 -2.394 532 HG12 VAL 69 2HG1 VAL 69 -7.253 -0.198 -4.000 533 HG13 VAL 69 3HG1 VAL 69 -8.471 -1.128 -3.096 534 HG21 VAL 69 1HG2 VAL 69 -8.227 -3.621 -5.069 535 HG22 VAL 69 2HG2 VAL 69 -8.471 -1.886 -5.383 536 HG23 VAL 69 3HG2 VAL 69 -7.065 -2.728 -6.079 537 H PHE 70 H PHE 70 -4.498 0.161 -3.883 538 HA PHE 70 HA PHE 70 -3.217 -0.667 -1.373 539 HB2 PHE 70 1HB PHE 70 -2.462 1.436 -3.491 540 HB3 PHE 70 2HB PHE 70 -1.575 1.200 -1.998 541 HD1 PHE 70 2HD PHE 70 -2.336 -0.221 -5.289 542 HD2 PHE 70 1HD PHE 70 -0.104 -0.699 -1.711 543 HE1 PHE 70 2HE PHE 70 -0.905 -1.950 -6.412 544 HE2 PHE 70 1HE PHE 70 1.327 -2.428 -2.835 545 HZ PHE 70 HZ PHE 70 0.909 -3.033 -5.173 546 H HIS 71 H HIS 71 -3.958 0.348 0.431 547 HA HIS 71 HA HIS 71 -5.374 2.878 -0.003 548 HB2 HIS 71 1HB HIS 71 -5.882 0.722 2.066 549 HB3 HIS 71 2HB HIS 71 -6.682 2.281 2.034 550 HD1 HIS 71 1HD HIS 71 -8.669 0.187 1.865 551 HD2 HIS 71 2HD HIS 71 -6.572 1.368 -1.570 552 HE1 HIS 71 1HE HIS 71 -10.082 -0.555 -0.125 553 H LEU 72 H LEU 72 -4.451 4.650 0.900 554 HA LEU 72 HA LEU 72 -2.432 4.149 2.971 555 HB2 LEU 72 1HB LEU 72 -2.183 5.412 0.531 556 HB3 LEU 72 2HB LEU 72 -2.393 6.752 1.640 557 HG LEU 72 HG LEU 72 -0.183 4.722 1.511 558 HD11 LEU 72 1HD1 LEU 72 -0.510 7.616 1.134 559 HD12 LEU 72 2HD1 LEU 72 0.898 7.165 2.125 560 HD13 LEU 72 3HD1 LEU 72 0.713 6.497 0.486 561 HD21 LEU 72 1HD2 LEU 72 -0.370 4.452 3.747 562 HD22 LEU 72 2HD2 LEU 72 0.485 6.013 3.776 563 HD23 LEU 72 3HD2 LEU 72 -1.284 5.963 3.970 564 H ASN 73 H ASN 73 -3.052 4.647 4.997 565 HA ASN 73 HA ASN 73 -4.003 5.643 6.671 566 HB2 ASN 73 1HB ASN 73 -3.969 7.857 4.639 567 HB3 ASN 73 2HB ASN 73 -5.059 8.090 5.991 568 HD21 ASN 73 1HD2 ASN 73 -1.740 7.543 5.011 569 HD22 ASN 73 2HD2 ASN 73 -0.963 8.114 6.449 570 H GLY 74 H GLY 74 -5.596 3.765 5.521 571 HA2 GLY 74 1HA GLY 74 -7.701 3.068 5.140 572 HA3 GLY 74 2HA GLY 74 -8.177 4.326 6.262 573 H GLN 75 H GLN 75 -6.617 4.696 3.018 574 HA GLN 75 HA GLN 75 -9.106 5.530 1.889 575 HB2 GLN 75 1HB GLN 75 -7.520 7.498 3.116 576 HB3 GLN 75 2HB GLN 75 -7.115 7.641 1.417 577 HG2 GLN 75 1HG GLN 75 -10.030 7.337 2.055 578 HG3 GLN 75 2HG GLN 75 -9.288 8.847 2.546 579 HE21 GLN 75 1HE2 GLN 75 -10.525 6.980 -0.007 580 HE22 GLN 75 2HE2 GLN 75 -10.170 8.033 -1.336 581 H PHE 76 H PHE 76 -9.123 4.632 -0.123 582 HA PHE 76 HA PHE 76 -7.132 3.254 -1.264 583 HB2 PHE 76 1HB PHE 76 -9.098 3.064 -2.504 584 HB3 PHE 76 2HB PHE 76 -9.612 4.682 -2.067 585 HD1 PHE 76 1HD PHE 76 -7.426 2.803 -4.397 586 HD2 PHE 76 2HD PHE 76 -9.427 6.459 -3.598 587 HE1 PHE 76 1HE PHE 76 -6.901 3.597 -6.719 588 HE2 PHE 76 2HE PHE 76 -8.902 7.253 -5.921 589 HZ PHE 76 HZ PHE 76 -7.646 5.813 -7.453 590 H LEU 77 H LEU 77 -5.047 3.821 -1.684 591 HA LEU 77 HA LEU 77 -4.473 6.562 -2.412 592 HB2 LEU 77 1HB LEU 77 -2.674 6.143 -1.222 593 HB3 LEU 77 2HB LEU 77 -3.137 4.462 -1.048 594 HG LEU 77 HG LEU 77 -2.051 4.136 -3.384 595 HD11 LEU 77 1HD1 LEU 77 -1.771 6.407 -4.063 596 HD12 LEU 77 2HD1 LEU 77 -0.881 6.808 -2.574 597 HD13 LEU 77 3HD1 LEU 77 -0.152 5.723 -3.782 598 HD21 LEU 77 1HD2 LEU 77 -0.940 4.213 -0.690 599 HD22 LEU 77 2HD2 LEU 77 -0.745 3.002 -1.981 600 HD23 LEU 77 3HD2 LEU 77 0.300 4.443 -1.946 601 H MET 78 H MET 78 -4.275 3.235 -3.799 602 HA MET 78 HA MET 78 -4.833 4.139 -6.349 603 HB2 MET 78 1HB MET 78 -2.688 4.078 -7.454 604 HB3 MET 78 2HB MET 78 -2.410 5.023 -6.004 605 HG2 MET 78 1HG MET 78 -1.614 2.898 -4.847 606 HG3 MET 78 2HG MET 78 -1.763 2.058 -6.378 607 HE1 MET 78 1HE MET 78 0.709 1.647 -5.284 608 HE2 MET 78 2HE MET 78 2.092 2.700 -5.666 609 HE3 MET 78 3HE MET 78 1.014 3.104 -4.308 610 H MET 79 H MET 79 -4.924 2.355 -7.917 611 HA MET 79 HA MET 79 -4.168 -0.227 -6.899 612 HB2 MET 79 1HB MET 79 -6.508 -1.122 -7.315 613 HB3 MET 79 2HB MET 79 -6.449 0.031 -5.996 614 HG2 MET 79 1HG MET 79 -7.291 1.829 -7.441 615 HG3 MET 79 2HG MET 79 -7.167 0.810 -8.862 616 HE1 MET 79 1HE MET 79 -10.031 2.092 -8.458 617 HE2 MET 79 2HE MET 79 -10.912 1.528 -7.018 618 HE3 MET 79 3HE MET 79 -9.389 2.431 -6.833 619 H HIS 80 H HIS 80 -4.456 -1.971 -8.608 620 HA HIS 80 HA HIS 80 -4.577 -2.690 -10.719 621 HB2 HIS 80 1HB HIS 80 -4.783 0.156 -11.720 622 HB3 HIS 80 2HB HIS 80 -5.168 -1.318 -12.587 623 HD1 HIS 80 1HD HIS 80 -7.487 0.287 -12.789 624 HD2 HIS 80 2HD HIS 80 -6.730 -1.714 -9.180 625 HE1 HIS 80 1HE HIS 80 -9.714 0.182 -11.549 626 H ARG 81 H ARG 81 -2.317 -1.141 -9.047 627 HA ARG 81 HA ARG 81 -0.197 -2.128 -10.292 628 HB2 ARG 81 1HB ARG 81 0.796 -0.012 -11.438 629 HB3 ARG 81 2HB ARG 81 -0.433 -0.897 -12.321 630 HG2 ARG 81 1HG ARG 81 -2.110 0.758 -11.079 631 HG3 ARG 81 2HG ARG 81 -0.680 1.750 -10.872 632 HD2 ARG 81 1HD ARG 81 -1.176 2.559 -12.954 633 HD3 ARG 81 2HD ARG 81 -0.456 1.074 -13.543 634 HE ARG 81 HE ARG 81 -3.231 0.636 -12.865 635 HH11 ARG 81 2HH2 ARG 81 -1.171 2.080 -15.325 636 HH12 ARG 81 1HH2 ARG 81 -2.337 1.894 -16.593 637 HH21 ARG 81 2HH1 ARG 81 -4.770 0.390 -14.537 638 HH22 ARG 81 1HH1 ARG 81 -4.398 0.926 -16.141 639 H VAL 82 H VAL 82 1.893 -0.349 -9.898 640 HA VAL 82 HA VAL 82 1.345 0.874 -7.289 641 HB VAL 82 HB VAL 82 3.727 -0.849 -8.003 642 HG11 VAL 82 1HG1 VAL 82 4.721 -0.235 -6.066 643 HG12 VAL 82 2HG1 VAL 82 3.706 1.217 -6.235 644 HG13 VAL 82 3HG1 VAL 82 3.179 -0.120 -5.185 645 HG21 VAL 82 1HG2 VAL 82 2.318 -2.546 -7.552 646 HG22 VAL 82 2HG2 VAL 82 2.499 -2.041 -5.855 647 HG23 VAL 82 3HG2 VAL 82 1.108 -1.473 -6.809 648 H ASN 83 H ASN 83 1.163 2.867 -8.559 649 HA ASN 83 HA ASN 83 3.439 3.663 -10.060 650 HB2 ASN 83 1HB ASN 83 0.712 4.690 -9.476 651 HB3 ASN 83 2HB ASN 83 1.907 5.967 -9.592 652 HD21 ASN 83 1HD2 ASN 83 -0.242 5.520 -11.370 653 HD22 ASN 83 2HD2 ASN 83 0.387 5.169 -12.945 654 H THR 84 H THR 84 5.129 3.567 -8.362 655 HA THR 84 HA THR 84 5.128 4.550 -5.871 656 HB THR 84 HB THR 84 7.590 5.101 -6.380 657 HG1 THR 84 1HG THR 84 8.114 4.600 -8.661 658 HG21 THR 84 1HG2 THR 84 6.747 2.696 -5.951 659 HG22 THR 84 2HG2 THR 84 6.670 2.512 -7.720 660 HG23 THR 84 3HG2 THR 84 8.231 2.826 -6.925 661 H SER 85 H SER 85 5.744 6.594 -8.804 662 HA SER 85 HA SER 85 6.214 8.936 -7.734 663 HB2 SER 85 1HB SER 85 5.298 8.050 -10.202 664 HB3 SER 85 2HB SER 85 4.017 9.142 -9.714 665 HG SER 85 HG SER 85 6.754 9.970 -9.459 666 H LYS 86 H LYS 86 2.996 7.318 -7.797 667 HA LYS 86 HA LYS 86 1.642 9.538 -6.641 668 HB2 LYS 86 1HB LYS 86 0.892 7.278 -8.013 669 HB3 LYS 86 2HB LYS 86 0.423 6.867 -6.376 670 HG2 LYS 86 1HG LYS 86 -1.227 8.468 -6.297 671 HG3 LYS 86 2HG LYS 86 -0.264 9.653 -7.158 672 HD2 LYS 86 1HD LYS 86 -1.755 9.234 -8.857 673 HD3 LYS 86 2HD LYS 86 -0.681 7.890 -9.193 674 HE2 LYS 86 1HE LYS 86 -2.354 6.421 -8.763 675 HE3 LYS 86 2HE LYS 86 -2.493 7.032 -7.127 676 HZ1 LYS 86 1HZ LYS 86 -3.986 7.815 -9.490 677 HZ2 LYS 86 2HZ LYS 86 -4.525 7.512 -7.979 678 HZ3 LYS 86 3HZ LYS 86 -3.770 8.922 -8.310 679 H LEU 87 H LEU 87 2.551 6.252 -5.372 680 HA LEU 87 HA LEU 87 1.819 6.641 -2.781 681 HB2 LEU 87 1HB LEU 87 2.437 4.500 -3.400 682 HB3 LEU 87 2HB LEU 87 3.951 5.019 -4.113 683 HG LEU 87 HG LEU 87 4.837 5.491 -1.836 684 HD11 LEU 87 1HD1 LEU 87 2.550 5.839 -0.812 685 HD12 LEU 87 2HD1 LEU 87 2.393 4.067 -0.770 686 HD13 LEU 87 3HD1 LEU 87 3.696 4.867 0.142 687 HD21 LEU 87 1HD2 LEU 87 5.076 3.280 -3.104 688 HD22 LEU 87 2HD2 LEU 87 5.412 3.271 -1.356 689 HD23 LEU 87 3HD2 LEU 87 3.864 2.639 -1.968 690 H GLU 88 H GLU 88 5.153 7.215 -4.119 691 HA GLU 88 HA GLU 88 6.288 8.243 -1.931 692 HB2 GLU 88 1HB GLU 88 6.687 9.484 -4.681 693 HB3 GLU 88 2HB GLU 88 7.867 9.345 -3.393 694 HG2 GLU 88 1HG GLU 88 7.085 6.693 -3.763 695 HG3 GLU 88 2HG GLU 88 7.016 7.330 -5.395 696 H LYS 89 H LYS 89 4.457 10.164 -4.420 697 HA LYS 89 HA LYS 89 4.671 12.627 -3.282 698 HB2 LYS 89 1HB LYS 89 3.533 11.777 -5.482 699 HB3 LYS 89 2HB LYS 89 2.077 11.721 -4.508 700 HG2 LYS 89 1HG LYS 89 3.760 14.216 -4.351 701 HG3 LYS 89 2HG LYS 89 2.836 13.955 -5.816 702 HD2 LYS 89 1HD LYS 89 1.255 13.419 -3.376 703 HD3 LYS 89 2HD LYS 89 1.863 15.062 -3.431 704 HE2 LYS 89 1HE LYS 89 0.954 15.205 -5.833 705 HE3 LYS 89 2HE LYS 89 0.170 13.663 -5.551 706 HZ1 LYS 89 1HZ LYS 89 -0.938 14.679 -3.647 707 HZ2 LYS 89 2HZ LYS 89 -0.259 16.122 -4.000 708 HZ3 LYS 89 3HZ LYS 89 -1.311 15.437 -5.045 709 H GLN 90 H GLN 90 2.180 10.088 -2.572 710 HA GLN 90 HA GLN 90 0.821 11.570 -0.697 711 HB2 GLN 90 1HB GLN 90 1.196 8.567 -1.019 712 HB3 GLN 90 2HB GLN 90 0.110 9.253 0.173 713 HG2 GLN 90 1HG GLN 90 -0.034 9.651 -2.851 714 HG3 GLN 90 2HG GLN 90 -1.146 8.718 -1.871 715 HE21 GLN 90 1HE2 GLN 90 -0.106 11.860 -2.873 716 HE22 GLN 90 2HE2 GLN 90 -1.392 12.795 -2.186 717 H LEU 91 H LEU 91 3.321 8.979 -0.134 718 HA LEU 91 HA LEU 91 3.550 9.060 2.525 719 HB2 LEU 91 1HB LEU 91 5.605 8.789 0.358 720 HB3 LEU 91 2HB LEU 91 6.091 8.755 2.042 721 HG LEU 91 HG LEU 91 3.933 6.919 1.007 722 HD11 LEU 91 1HD1 LEU 91 5.655 5.191 0.663 723 HD12 LEU 91 2HD1 LEU 91 5.837 6.564 -0.455 724 HD13 LEU 91 3HD1 LEU 91 6.920 6.410 0.949 725 HD21 LEU 91 1HD2 LEU 91 5.670 5.853 3.049 726 HD22 LEU 91 2HD2 LEU 91 5.009 7.427 3.554 727 HD23 LEU 91 3HD2 LEU 91 3.909 6.112 3.073 728 H ARG 92 H ARG 92 5.395 11.286 0.317 729 HA ARG 92 HA ARG 92 6.666 12.766 2.078 730 HB2 ARG 92 1HB ARG 92 5.471 13.249 -0.575 731 HB3 ARG 92 2HB ARG 92 5.585 14.730 0.355 732 HG2 ARG 92 1HG ARG 92 8.023 14.169 0.829 733 HG3 ARG 92 2HG ARG 92 7.872 12.799 -0.254 734 HD2 ARG 92 1HD ARG 92 8.005 14.116 -2.120 735 HD3 ARG 92 2HD ARG 92 6.865 15.285 -1.484 736 HE ARG 92 HE ARG 92 9.345 15.524 -0.054 737 HH11 ARG 92 2HH2 ARG 92 7.943 16.200 -3.209 738 HH12 ARG 92 1HH2 ARG 92 9.022 17.512 -3.549 739 HH21 ARG 92 2HH1 ARG 92 10.769 17.255 -0.501 740 HH22 ARG 92 1HH1 ARG 92 10.640 18.116 -1.998 741 H LYS 93 H LYS 93 3.273 13.520 0.970 742 HA LYS 93 HA LYS 93 2.949 15.099 3.417 743 HB2 LYS 93 1HB LYS 93 1.790 15.263 0.658 744 HB3 LYS 93 2HB LYS 93 0.826 15.832 2.007 745 HG2 LYS 93 1HG LYS 93 3.534 16.807 2.344 746 HG3 LYS 93 2HG LYS 93 3.018 17.165 0.708 747 HD2 LYS 93 1HD LYS 93 0.768 17.953 1.940 748 HD3 LYS 93 2HD LYS 93 1.834 18.110 3.322 749 HE2 LYS 93 1HE LYS 93 3.337 19.607 2.029 750 HE3 LYS 93 2HE LYS 93 2.344 19.403 0.599 751 HZ1 LYS 93 1HZ LYS 93 1.427 20.569 3.137 752 HZ2 LYS 93 2HZ LYS 93 1.795 21.408 1.785 753 HZ3 LYS 93 3HZ LYS 93 0.515 20.394 1.794 754 H LEU 94 H LEU 94 2.484 13.497 4.939 755 HA LEU 94 HA LEU 94 -0.174 12.602 4.982 756 HB2 LEU 94 1HB LEU 94 1.118 11.057 3.271 757 HB3 LEU 94 2HB LEU 94 1.672 10.269 4.735 758 HG LEU 94 HG LEU 94 -0.584 9.733 5.395 759 HD11 LEU 94 1HD1 LEU 94 -2.311 10.327 3.360 760 HD12 LEU 94 2HD1 LEU 94 -2.148 11.249 4.874 761 HD13 LEU 94 3HD1 LEU 94 -1.289 11.784 3.409 762 HD21 LEU 94 1HD2 LEU 94 -1.312 8.431 3.270 763 HD22 LEU 94 2HD2 LEU 94 0.215 9.035 2.583 764 HD23 LEU 94 3HD2 LEU 94 0.236 8.033 4.053 765 H SER 95 H SER 95 3.091 11.389 6.038 766 HA SER 95 HA SER 95 3.964 11.122 8.006 767 HB2 SER 95 1HB SER 95 2.343 13.568 8.320 768 HB3 SER 95 2HB SER 95 2.615 12.747 9.845 769 HG SER 95 HG SER 95 4.807 13.181 8.034 770 H GLY 96 H GLY 96 3.598 10.159 10.226 771 HA2 GLY 96 1HA GLY 96 1.653 8.152 10.173 772 HA3 GLY 96 2HA GLY 96 2.607 8.647 11.558 773 HA PRO 97 HA PRO 97 -1.784 9.882 12.188 774 HB2 PRO 97 1HB PRO 97 -2.504 8.090 14.121 775 HB3 PRO 97 2HB PRO 97 -2.862 7.861 12.420 776 HG2 PRO 97 1HG PRO 97 -0.810 6.527 14.077 777 HG3 PRO 97 2HG PRO 97 -1.464 6.030 12.530 778 HD2 PRO 97 1HD PRO 97 1.087 7.254 13.001 779 HD3 PRO 97 2HD PRO 97 0.384 6.863 11.444 780 H SER 98 H SER 98 0.617 8.858 14.524 781 HA SER 98 HA SER 98 -0.393 10.783 16.388 782 HB2 SER 98 1HB SER 98 0.774 8.410 16.792 783 HB3 SER 98 2HB SER 98 2.245 9.362 16.742 784 HG SER 98 HG SER 98 1.703 10.411 18.593 785 H SER 99 H SER 99 -0.076 12.750 15.099 786 HA SER 99 HA SER 99 2.747 13.470 14.936 787 HB2 SER 99 1HB SER 99 1.092 13.265 12.788 788 HB3 SER 99 2HB SER 99 0.746 14.922 13.242 789 HG SER 99 HG SER 99 3.322 14.940 13.363 790 H GLY 100 H GLY 100 2.741 14.367 17.090 791 HA2 GLY 100 1HA GLY 100 0.761 16.328 17.830 792 HA3 GLY 100 2HA GLY 100 2.158 15.809 18.752 Start of MODEL 16 1 H1 GLY 1 H GLY 1 31.962 7.434 37.222 2 HA2 GLY 1 1HA GLY 1 33.083 5.360 36.398 3 HA3 GLY 1 2HA GLY 1 32.493 5.806 34.810 4 H SER 2 H SER 2 33.286 7.806 33.784 5 HA SER 2 HA SER 2 34.971 9.603 34.764 6 HB2 SER 2 1HB SER 2 37.232 8.470 33.785 7 HB3 SER 2 2HB SER 2 36.772 8.377 35.474 8 HG SER 2 HG SER 2 36.922 6.359 33.563 9 H SER 3 H SER 3 35.976 7.343 32.116 10 HA SER 3 HA SER 3 35.884 9.488 30.269 11 HB2 SER 3 1HB SER 3 36.560 7.693 28.618 12 HB3 SER 3 2HB SER 3 37.622 7.838 30.004 13 HG SER 3 HG SER 3 36.925 5.919 30.821 14 H GLY 4 H GLY 4 34.194 6.266 30.494 15 HA2 GLY 4 1HA GLY 4 32.310 5.537 29.462 16 HA3 GLY 4 2HA GLY 4 31.628 6.975 30.195 17 H SER 5 H SER 5 30.560 8.319 28.818 18 HA SER 5 HA SER 5 29.896 9.294 26.997 19 HB2 SER 5 1HB SER 5 32.073 10.414 27.052 20 HB3 SER 5 2HB SER 5 32.838 9.068 26.230 21 HG SER 5 HG SER 5 32.375 10.103 24.420 22 H SER 6 H SER 6 28.466 7.822 26.049 23 HA SER 6 HA SER 6 29.339 6.619 23.660 24 HB2 SER 6 1HB SER 6 29.414 4.998 26.078 25 HB3 SER 6 2HB SER 6 28.217 4.353 24.973 26 HG SER 6 HG SER 6 29.790 4.115 23.356 27 H GLY 7 H GLY 7 27.415 5.396 22.598 28 HA2 GLY 7 1HA GLY 7 25.031 4.944 22.798 29 HA3 GLY 7 2HA GLY 7 24.861 6.474 23.634 30 H ASN 8 H ASN 8 23.803 5.299 20.949 31 HA ASN 8 HA ASN 8 24.965 7.165 19.097 32 HB2 ASN 8 1HB ASN 8 23.804 4.616 18.853 33 HB3 ASN 8 2HB ASN 8 22.554 5.670 18.222 34 HD21 ASN 8 1HD2 ASN 8 22.759 6.585 16.280 35 HD22 ASN 8 2HD2 ASN 8 24.122 6.426 15.224 36 H LEU 9 H LEU 9 23.828 9.014 18.294 37 HA LEU 9 HA LEU 9 22.082 10.343 19.846 38 HB2 LEU 9 1HB LEU 9 23.202 10.621 17.292 39 HB3 LEU 9 2HB LEU 9 21.476 10.818 17.059 40 HG LEU 9 HG LEU 9 22.696 12.328 19.317 41 HD11 LEU 9 1HD1 LEU 9 24.044 13.688 18.161 42 HD12 LEU 9 2HD1 LEU 9 24.064 12.393 16.941 43 HD13 LEU 9 3HD1 LEU 9 22.940 13.762 16.767 44 HD21 LEU 9 1HD2 LEU 9 20.274 12.407 18.748 45 HD22 LEU 9 2HD2 LEU 9 21.076 13.995 18.713 46 HD23 LEU 9 3HD2 LEU 9 20.704 13.152 17.190 47 H SER 10 H SER 10 20.190 9.708 20.728 48 HA SER 10 HA SER 10 18.687 7.636 19.679 49 HB2 SER 10 1HB SER 10 18.698 9.237 22.012 50 HB3 SER 10 2HB SER 10 17.108 9.480 21.316 51 HG SER 10 HG SER 10 17.124 6.997 21.117 52 H ALA 11 H ALA 11 16.199 7.941 19.162 53 HA ALA 11 HA ALA 11 16.000 10.165 17.250 54 HB1 ALA 11 1HB ALA 11 15.826 7.403 16.839 55 HB2 ALA 11 2HB ALA 11 14.130 7.944 16.877 56 HB3 ALA 11 3HB ALA 11 15.271 8.675 15.724 57 H SER 12 H SER 12 13.708 10.968 16.910 58 HA SER 12 HA SER 12 12.466 11.121 19.525 59 HB2 SER 12 1HB SER 12 11.265 13.109 18.533 60 HB3 SER 12 2HB SER 12 13.008 13.280 18.590 61 HG SER 12 HG SER 12 11.833 13.862 16.509 62 H ASN 13 H ASN 13 9.926 11.389 19.399 63 HA ASN 13 HA ASN 13 8.788 9.100 18.753 64 HB2 ASN 13 1HB ASN 13 7.750 11.936 18.820 65 HB3 ASN 13 2HB ASN 13 6.666 10.706 18.201 66 HD21 ASN 13 1HD2 ASN 13 8.503 11.839 20.942 67 HD22 ASN 13 2HD2 ASN 13 7.715 10.911 22.174 68 H ARG 14 H ARG 14 7.429 8.330 16.905 69 HA ARG 14 HA ARG 14 7.178 9.744 14.560 70 HB2 ARG 14 1HB ARG 14 9.798 9.035 14.754 71 HB3 ARG 14 2HB ARG 14 9.182 7.552 14.053 72 HG2 ARG 14 1HG ARG 14 9.192 8.543 12.016 73 HG3 ARG 14 2HG ARG 14 7.954 9.651 12.573 74 HD2 ARG 14 1HD ARG 14 9.980 10.969 13.660 75 HD3 ARG 14 2HD ARG 14 10.962 10.047 12.540 76 HE ARG 14 HE ARG 14 8.736 11.181 11.120 77 HH11 ARG 14 2HH2 ARG 14 11.762 12.126 12.647 78 HH12 ARG 14 1HH2 ARG 14 11.991 13.509 11.630 79 HH21 ARG 14 2HH1 ARG 14 9.038 13.005 9.777 80 HH22 ARG 14 1HH1 ARG 14 10.431 14.012 9.987 81 H ALA 15 H ALA 15 5.814 8.575 13.089 82 HA ALA 15 HA ALA 15 5.433 5.739 13.594 83 HB1 ALA 15 1HB ALA 15 3.879 7.335 15.043 84 HB2 ALA 15 2HB ALA 15 2.977 7.472 13.515 85 HB3 ALA 15 3HB ALA 15 3.219 5.876 14.266 86 H LEU 16 H LEU 16 5.182 4.674 11.680 87 HA LEU 16 HA LEU 16 4.994 6.316 9.302 88 HB2 LEU 16 1HB LEU 16 5.392 3.334 9.560 89 HB3 LEU 16 2HB LEU 16 5.616 4.309 8.121 90 HG LEU 16 HG LEU 16 7.262 4.575 10.652 91 HD11 LEU 16 1HD1 LEU 16 8.344 2.748 10.005 92 HD12 LEU 16 2HD1 LEU 16 7.409 2.655 8.493 93 HD13 LEU 16 3HD1 LEU 16 8.884 3.647 8.567 94 HD21 LEU 16 1HD2 LEU 16 6.887 6.450 8.683 95 HD22 LEU 16 2HD2 LEU 16 8.306 6.336 9.752 96 HD23 LEU 16 3HD2 LEU 16 8.352 5.604 8.129 97 HA PRO 17 HA PRO 17 0.853 5.401 8.514 98 HB2 PRO 17 1HB PRO 17 0.737 5.447 5.784 99 HB3 PRO 17 2HB PRO 17 0.761 6.898 6.767 100 HG2 PRO 17 1HG PRO 17 2.935 5.720 5.147 101 HG3 PRO 17 2HG PRO 17 2.795 7.349 5.777 102 HD2 PRO 17 1HD PRO 17 4.444 5.243 6.814 103 HD3 PRO 17 2HD PRO 17 4.215 6.834 7.511 104 H VAL 18 H VAL 18 -0.799 3.928 7.623 105 HA VAL 18 HA VAL 18 0.471 1.296 7.375 106 HB VAL 18 HB VAL 18 -2.245 2.183 8.354 107 HG11 VAL 18 1HG1 VAL 18 -2.801 -0.153 8.715 108 HG12 VAL 18 2HG1 VAL 18 -2.425 0.110 6.995 109 HG13 VAL 18 3HG1 VAL 18 -1.227 -0.664 8.061 110 HG21 VAL 18 1HG2 VAL 18 -0.888 2.444 10.182 111 HG22 VAL 18 2HG2 VAL 18 -1.277 0.716 10.356 112 HG23 VAL 18 3HG2 VAL 18 0.275 1.211 9.639 113 H LEU 19 H LEU 19 0.666 0.632 5.301 114 HA LEU 19 HA LEU 19 -1.332 1.586 3.394 115 HB2 LEU 19 1HB LEU 19 0.998 2.043 2.881 116 HB3 LEU 19 2HB LEU 19 1.392 0.340 3.006 117 HG LEU 19 HG LEU 19 -0.519 0.192 1.109 118 HD11 LEU 19 1HD1 LEU 19 -0.534 2.011 -0.383 119 HD12 LEU 19 2HD1 LEU 19 -0.754 2.727 1.231 120 HD13 LEU 19 3HD1 LEU 19 0.834 2.805 0.432 121 HD21 LEU 19 1HD2 LEU 19 1.956 0.922 -0.189 122 HD22 LEU 19 2HD2 LEU 19 2.271 -0.069 1.256 123 HD23 LEU 19 3HD2 LEU 19 1.185 -0.674 -0.018 124 H THR 20 H THR 20 -3.088 0.297 3.219 125 HA THR 20 HA THR 20 -2.895 -2.499 3.870 126 HB THR 20 HB THR 20 -5.237 -0.952 2.659 127 HG1 THR 20 1HG THR 20 -5.583 -0.304 4.869 128 HG21 THR 20 1HG2 THR 20 -5.683 -3.355 2.952 129 HG22 THR 20 2HG2 THR 20 -4.977 -3.319 4.586 130 HG23 THR 20 3HG2 THR 20 -6.506 -2.469 4.258 131 H LEU 21 H LEU 21 -2.065 -3.975 2.541 132 HA LEU 21 HA LEU 21 -2.366 -3.480 -0.332 133 HB2 LEU 21 1HB LEU 21 -0.120 -3.657 0.016 134 HB3 LEU 21 2HB LEU 21 -0.288 -4.770 1.359 135 HG LEU 21 HG LEU 21 -0.822 -6.598 -0.192 136 HD11 LEU 21 1HD1 LEU 21 -0.332 -6.132 -2.676 137 HD12 LEU 21 2HD1 LEU 21 -1.905 -5.627 -2.015 138 HD13 LEU 21 3HD1 LEU 21 -0.618 -4.423 -2.267 139 HD21 LEU 21 1HD2 LEU 21 1.666 -5.382 0.216 140 HD22 LEU 21 2HD2 LEU 21 1.348 -7.053 -0.309 141 HD23 LEU 21 3HD2 LEU 21 1.614 -5.775 -1.519 142 H PHE 22 H PHE 22 -3.818 -4.666 -1.449 143 HA PHE 22 HA PHE 22 -4.859 -7.048 -0.100 144 HB2 PHE 22 1HB PHE 22 -5.877 -5.113 -2.258 145 HB3 PHE 22 2HB PHE 22 -6.728 -6.599 -1.885 146 HD1 PHE 22 2HD PHE 22 -7.414 -6.928 0.610 147 HD2 PHE 22 1HD PHE 22 -6.393 -3.175 -1.086 148 HE1 PHE 22 2HE PHE 22 -8.651 -5.759 2.455 149 HE2 PHE 22 1HE PHE 22 -7.629 -2.005 0.759 150 HZ PHE 22 HZ PHE 22 -8.743 -3.311 2.507 151 H THR 23 H THR 23 -3.569 -8.754 -0.771 152 HA THR 23 HA THR 23 -3.133 -8.988 -3.672 153 HB THR 23 HB THR 23 -1.020 -8.998 -2.572 154 HG1 THR 23 1HG THR 23 -0.534 -11.365 -2.644 155 HG21 THR 23 1HG2 THR 23 -1.498 -9.134 -0.227 156 HG22 THR 23 2HG2 THR 23 -2.472 -10.610 -0.430 157 HG23 THR 23 3HG2 THR 23 -0.700 -10.683 -0.588 158 H LYS 24 H LYS 24 -2.994 -11.399 -4.392 159 HA LYS 24 HA LYS 24 -4.611 -13.240 -2.992 160 HB2 LYS 24 1HB LYS 24 -6.605 -13.246 -4.244 161 HB3 LYS 24 2HB LYS 24 -6.337 -11.572 -3.803 162 HG2 LYS 24 1HG LYS 24 -6.052 -10.915 -5.976 163 HG3 LYS 24 2HG LYS 24 -5.035 -12.290 -6.359 164 HD2 LYS 24 1HD LYS 24 -7.536 -13.480 -6.005 165 HD3 LYS 24 2HD LYS 24 -7.954 -11.943 -6.737 166 HE2 LYS 24 1HE LYS 24 -5.955 -12.540 -8.408 167 HE3 LYS 24 2HE LYS 24 -6.255 -14.179 -7.863 168 HZ1 LYS 24 1HZ LYS 24 -7.950 -14.221 -9.241 169 HZ2 LYS 24 2HZ LYS 24 -8.708 -13.049 -8.393 170 HZ3 LYS 24 3HZ LYS 24 -7.749 -12.653 -9.654 171 H ALA 25 H ALA 25 -5.335 -15.013 -4.897 172 HA ALA 25 HA ALA 25 -3.265 -15.193 -6.897 173 HB1 ALA 25 1HB ALA 25 -2.269 -17.212 -6.078 174 HB2 ALA 25 2HB ALA 25 -2.266 -16.063 -4.719 175 HB3 ALA 25 3HB ALA 25 -3.479 -17.363 -4.782 176 HA PRO 26 HA PRO 26 -2.689 -16.599 -8.167 177 HB2 PRO 26 1HB PRO 26 -2.980 -16.764 -10.880 178 HB3 PRO 26 2HB PRO 26 -2.666 -18.156 -9.863 179 HG2 PRO 26 1HG PRO 26 -5.194 -17.340 -11.159 180 HG3 PRO 26 2HG PRO 26 -4.748 -18.906 -10.511 181 HD2 PRO 26 1HD PRO 26 -6.485 -16.975 -9.292 182 HD3 PRO 26 2HD PRO 26 -5.947 -18.489 -8.593 183 H CYS 27 H CYS 27 -1.438 -14.828 -8.673 184 HA CYS 27 HA CYS 27 -2.516 -12.769 -10.246 185 HB2 CYS 27 1HB CYS 27 -3.486 -12.719 -7.599 186 HB3 CYS 27 2HB CYS 27 -2.239 -11.490 -7.655 187 HG CYS 27 HG CYS 27 -3.440 -9.843 -8.855 188 HA PRO 28 HA PRO 28 1.923 -12.710 -9.845 189 HB2 PRO 28 1HB PRO 28 2.458 -11.884 -12.395 190 HB3 PRO 28 2HB PRO 28 2.307 -13.571 -11.946 191 HG2 PRO 28 1HG PRO 28 0.388 -11.864 -13.409 192 HG3 PRO 28 2HG PRO 28 0.456 -13.613 -13.322 193 HD2 PRO 28 1HD PRO 28 -1.367 -11.895 -11.925 194 HD3 PRO 28 2HD PRO 28 -1.221 -13.633 -11.750 195 H LEU 29 H LEU 29 -0.338 -10.285 -10.457 196 HA LEU 29 HA LEU 29 1.525 -8.146 -10.599 197 HB2 LEU 29 1HB LEU 29 -1.442 -8.276 -10.067 198 HB3 LEU 29 2HB LEU 29 -0.542 -6.775 -10.161 199 HG LEU 29 HG LEU 29 0.012 -7.158 -12.474 200 HD11 LEU 29 1HD1 LEU 29 0.416 -9.513 -12.519 201 HD12 LEU 29 2HD1 LEU 29 -1.279 -9.872 -12.110 202 HD13 LEU 29 3HD1 LEU 29 -0.876 -9.157 -13.690 203 HD21 LEU 29 1HD2 LEU 29 -2.395 -6.426 -11.636 204 HD22 LEU 29 2HD2 LEU 29 -2.021 -6.635 -13.364 205 HD23 LEU 29 3HD2 LEU 29 -2.873 -7.921 -12.476 206 H CYS 30 H CYS 30 -0.611 -9.486 -7.991 207 HA CYS 30 HA CYS 30 -0.003 -7.763 -6.003 208 HB2 CYS 30 1HB CYS 30 -0.724 -9.407 -4.471 209 HB3 CYS 30 2HB CYS 30 -1.599 -9.743 -5.952 210 HG CYS 30 HG CYS 30 0.687 -11.357 -4.345 211 H ASP 31 H ASP 31 1.909 -10.554 -7.255 212 HA ASP 31 HA ASP 31 3.843 -10.532 -5.289 213 HB2 ASP 31 1HB ASP 31 3.482 -11.641 -8.003 214 HB3 ASP 31 2HB ASP 31 5.162 -11.283 -7.656 215 H GLU 32 H GLU 32 4.007 -9.259 -8.711 216 HA GLU 32 HA GLU 32 6.382 -7.982 -8.512 217 HB2 GLU 32 1HB GLU 32 4.555 -8.284 -10.475 218 HB3 GLU 32 2HB GLU 32 4.201 -6.617 -10.066 219 HG2 GLU 32 1HG GLU 32 6.003 -5.956 -11.268 220 HG3 GLU 32 2HG GLU 32 7.047 -6.804 -10.146 221 H ALA 33 H ALA 33 3.089 -6.563 -7.904 222 HA ALA 33 HA ALA 33 3.693 -4.022 -7.324 223 HB1 ALA 33 1HB ALA 33 1.927 -4.797 -5.270 224 HB2 ALA 33 2HB ALA 33 1.493 -4.204 -6.891 225 HB3 ALA 33 3HB ALA 33 1.641 -5.953 -6.594 226 H LYS 34 H LYS 34 3.742 -6.680 -4.836 227 HA LYS 34 HA LYS 34 4.754 -5.256 -2.762 228 HB2 LYS 34 1HB LYS 34 5.359 -8.128 -3.526 229 HB3 LYS 34 2HB LYS 34 5.657 -7.424 -1.950 230 HG2 LYS 34 1HG LYS 34 3.360 -7.195 -1.458 231 HG3 LYS 34 2HG LYS 34 2.891 -7.173 -3.147 232 HD2 LYS 34 1HD LYS 34 2.711 -9.447 -3.245 233 HD3 LYS 34 2HD LYS 34 4.235 -9.693 -2.416 234 HE2 LYS 34 1HE LYS 34 2.519 -8.668 -0.417 235 HE3 LYS 34 2HE LYS 34 1.502 -9.760 -1.336 236 HZ1 LYS 34 1HZ LYS 34 4.152 -10.484 -0.296 237 HZ2 LYS 34 2HZ LYS 34 2.744 -10.838 0.452 238 HZ3 LYS 34 3HZ LYS 34 3.079 -11.488 -1.008 239 H GLU 35 H GLU 35 6.651 -6.949 -5.351 240 HA GLU 35 HA GLU 35 9.125 -6.310 -4.416 241 HB2 GLU 35 1HB GLU 35 8.408 -6.336 -7.372 242 HB3 GLU 35 2HB GLU 35 9.930 -6.800 -6.636 243 HG2 GLU 35 1HG GLU 35 8.299 -8.522 -5.312 244 HG3 GLU 35 2HG GLU 35 7.337 -8.315 -6.762 245 H VAL 36 H VAL 36 6.690 -4.245 -5.892 246 HA VAL 36 HA VAL 36 8.576 -2.181 -6.579 247 HB VAL 36 HB VAL 36 5.562 -2.049 -6.459 248 HG11 VAL 36 1HG1 VAL 36 7.383 -0.572 -8.360 249 HG12 VAL 36 2HG1 VAL 36 5.710 -0.194 -7.881 250 HG13 VAL 36 3HG1 VAL 36 7.044 0.054 -6.728 251 HG21 VAL 36 1HG2 VAL 36 6.775 -2.536 -9.092 252 HG22 VAL 36 2HG2 VAL 36 6.960 -3.893 -7.955 253 HG23 VAL 36 3HG2 VAL 36 5.339 -3.266 -8.336 254 H LEU 37 H LEU 37 6.750 -3.252 -3.796 255 HA LEU 37 HA LEU 37 7.055 -0.635 -2.535 256 HB2 LEU 37 1HB LEU 37 5.509 -3.100 -1.726 257 HB3 LEU 37 2HB LEU 37 5.627 -1.642 -0.762 258 HG LEU 37 HG LEU 37 4.194 -2.074 -3.371 259 HD11 LEU 37 1HD1 LEU 37 3.426 -1.027 -0.642 260 HD12 LEU 37 2HD1 LEU 37 2.381 -0.870 -2.075 261 HD13 LEU 37 3HD1 LEU 37 2.837 -2.484 -1.479 262 HD21 LEU 37 1HD2 LEU 37 5.016 0.609 -2.227 263 HD22 LEU 37 2HD2 LEU 37 5.514 -0.095 -3.784 264 HD23 LEU 37 3HD2 LEU 37 3.816 0.369 -3.520 265 H GLN 38 H GLN 38 8.840 -3.408 -3.066 266 HA GLN 38 HA GLN 38 9.745 -4.239 -0.674 267 HB2 GLN 38 1HB GLN 38 10.681 -4.257 -3.424 268 HB3 GLN 38 2HB GLN 38 12.047 -4.031 -2.350 269 HG2 GLN 38 1HG GLN 38 10.296 -6.043 -1.209 270 HG3 GLN 38 2HG GLN 38 10.607 -6.456 -2.884 271 HE21 GLN 38 1HE2 GLN 38 13.134 -5.348 -3.220 272 HE22 GLN 38 2HE2 GLN 38 14.296 -6.227 -2.283 273 HA PRO 39 HA PRO 39 12.744 -0.561 -0.570 274 HB2 PRO 39 1HB PRO 39 12.441 1.496 -2.345 275 HB3 PRO 39 2HB PRO 39 13.568 0.176 -2.590 276 HG2 PRO 39 1HG PRO 39 10.965 0.660 -3.905 277 HG3 PRO 39 2HG PRO 39 12.277 -0.382 -4.418 278 HD2 PRO 39 1HD PRO 39 9.818 -1.198 -3.187 279 HD3 PRO 39 2HD PRO 39 11.178 -2.226 -3.595 280 H TYR 40 H TYR 40 9.514 -0.624 -0.518 281 HA TYR 40 HA TYR 40 9.446 1.872 1.041 282 HB2 TYR 40 1HB TYR 40 7.336 0.403 -0.661 283 HB3 TYR 40 2HB TYR 40 6.991 1.843 0.276 284 HD1 TYR 40 1HD TYR 40 8.629 0.528 -2.739 285 HD2 TYR 40 2HD TYR 40 7.787 4.043 -0.451 286 HE1 TYR 40 1HE TYR 40 9.292 1.982 -4.716 287 HE2 TYR 40 2HE TYR 40 8.453 5.486 -2.436 288 HH TYR 40 HH TYR 40 9.588 3.986 -5.453 289 H LYS 41 H LYS 41 9.770 -1.316 1.465 290 HA LYS 41 HA LYS 41 7.544 -2.077 2.977 291 HB2 LYS 41 1HB LYS 41 10.417 -3.034 2.942 292 HB3 LYS 41 2HB LYS 41 9.163 -3.798 3.898 293 HG2 LYS 41 1HG LYS 41 8.908 -3.348 0.890 294 HG3 LYS 41 2HG LYS 41 9.572 -4.817 1.579 295 HD2 LYS 41 1HD LYS 41 6.777 -3.716 2.143 296 HD3 LYS 41 2HD LYS 41 7.138 -5.042 1.055 297 HE2 LYS 41 1HE LYS 41 8.408 -5.619 3.581 298 HE3 LYS 41 2HE LYS 41 6.759 -5.130 3.917 299 HZ1 LYS 41 1HZ LYS 41 6.482 -6.750 1.801 300 HZ2 LYS 41 2HZ LYS 41 7.705 -7.472 2.608 301 HZ3 LYS 41 3HZ LYS 41 6.279 -7.204 3.357 302 H ASP 42 H ASP 42 10.682 -0.525 3.876 303 HA ASP 42 HA ASP 42 9.885 -0.431 6.607 304 HB2 ASP 42 1HB ASP 42 12.297 -0.016 5.045 305 HB3 ASP 42 2HB ASP 42 12.048 1.384 6.069 306 H ARG 43 H ARG 43 9.448 1.439 3.705 307 HA ARG 43 HA ARG 43 9.470 3.997 4.736 308 HB2 ARG 43 1HB ARG 43 8.164 2.658 2.354 309 HB3 ARG 43 2HB ARG 43 7.714 4.309 2.729 310 HG2 ARG 43 1HG ARG 43 10.615 3.413 2.427 311 HG3 ARG 43 2HG ARG 43 9.668 4.032 1.089 312 HD2 ARG 43 1HD ARG 43 10.420 6.089 1.743 313 HD3 ARG 43 2HD ARG 43 9.214 5.978 3.009 314 HE ARG 43 HE ARG 43 10.954 5.812 4.545 315 HH11 ARG 43 2HH2 ARG 43 12.103 4.621 1.440 316 HH12 ARG 43 1HH2 ARG 43 13.716 4.333 2.003 317 HH21 ARG 43 2HH1 ARG 43 13.081 5.433 5.289 318 HH22 ARG 43 1HH1 ARG 43 14.276 4.798 4.207 319 H PHE 44 H PHE 44 7.110 1.365 4.911 320 HA PHE 44 HA PHE 44 5.580 2.811 6.823 321 HB2 PHE 44 1HB PHE 44 3.443 2.501 5.372 322 HB3 PHE 44 2HB PHE 44 4.530 3.769 4.842 323 HD1 PHE 44 2HD PHE 44 4.140 0.085 4.310 324 HD2 PHE 44 1HD PHE 44 4.894 3.885 2.578 325 HE1 PHE 44 2HE PHE 44 4.270 -0.976 2.039 326 HE2 PHE 44 1HE PHE 44 5.024 2.824 0.307 327 HZ PHE 44 HZ PHE 44 4.710 0.407 0.064 328 H ILE 45 H ILE 45 3.331 1.353 7.091 329 HA ILE 45 HA ILE 45 4.403 -1.328 7.499 330 HB ILE 45 HB ILE 45 1.995 0.092 8.640 331 HG12 ILE 45 1HG1 ILE 45 4.339 -0.823 10.260 332 HG13 ILE 45 2HG1 ILE 45 4.516 0.629 9.295 333 HG21 ILE 45 1HG2 ILE 45 1.177 -1.874 9.252 334 HG22 ILE 45 2HG2 ILE 45 2.513 -2.705 8.420 335 HG23 ILE 45 3HG2 ILE 45 2.685 -2.232 10.128 336 HD11 ILE 45 1HD1 ILE 45 3.200 1.844 10.696 337 HD12 ILE 45 2HD1 ILE 45 1.948 0.579 10.737 338 HD13 ILE 45 3HD1 ILE 45 3.349 0.481 11.831 339 H LEU 46 H LEU 46 4.205 -2.488 5.619 340 HA LEU 46 HA LEU 46 1.930 -2.149 3.933 341 HB2 LEU 46 1HB LEU 46 4.211 -2.680 3.139 342 HB3 LEU 46 2HB LEU 46 4.102 -4.250 3.910 343 HG LEU 46 HG LEU 46 2.205 -4.843 2.439 344 HD11 LEU 46 1HD1 LEU 46 1.027 -3.122 1.624 345 HD12 LEU 46 2HD1 LEU 46 2.405 -2.000 1.719 346 HD13 LEU 46 3HD1 LEU 46 2.249 -3.102 0.330 347 HD21 LEU 46 1HD2 LEU 46 4.905 -4.758 1.817 348 HD22 LEU 46 2HD2 LEU 46 3.647 -5.686 0.965 349 HD23 LEU 46 3HD2 LEU 46 4.116 -4.074 0.375 350 H GLN 47 H GLN 47 -0.046 -2.759 4.669 351 HA GLN 47 HA GLN 47 -0.174 -5.136 6.303 352 HB2 GLN 47 1HB GLN 47 -1.412 -2.795 6.658 353 HB3 GLN 47 2HB GLN 47 -2.596 -3.493 5.569 354 HG2 GLN 47 1HG GLN 47 -2.609 -5.564 7.105 355 HG3 GLN 47 2HG GLN 47 -1.662 -4.626 8.242 356 HE21 GLN 47 1HE2 GLN 47 -3.049 -4.312 9.850 357 HE22 GLN 47 2HE2 GLN 47 -4.577 -3.504 9.738 358 H GLU 48 H GLU 48 -0.020 -6.949 4.985 359 HA GLU 48 HA GLU 48 -1.327 -6.968 2.464 360 HB2 GLU 48 1HB GLU 48 0.544 -8.694 3.972 361 HB3 GLU 48 2HB GLU 48 -0.605 -9.602 3.009 362 HG2 GLU 48 1HG GLU 48 0.242 -8.825 0.998 363 HG3 GLU 48 2HG GLU 48 0.629 -7.243 1.644 364 H VAL 49 H VAL 49 -3.550 -7.002 2.462 365 HA VAL 49 HA VAL 49 -4.890 -8.635 4.466 366 HB VAL 49 HB VAL 49 -5.883 -6.618 2.444 367 HG11 VAL 49 1HG1 VAL 49 -7.315 -8.536 4.208 368 HG12 VAL 49 2HG1 VAL 49 -7.936 -6.868 4.180 369 HG13 VAL 49 3HG1 VAL 49 -7.812 -7.797 2.667 370 HG21 VAL 49 1HG2 VAL 49 -5.074 -6.484 5.313 371 HG22 VAL 49 2HG2 VAL 49 -4.925 -5.270 4.019 372 HG23 VAL 49 3HG2 VAL 49 -6.496 -5.535 4.815 373 H ASP 50 H ASP 50 -5.706 -10.626 4.028 374 HA ASP 50 HA ASP 50 -5.337 -11.592 1.360 375 HB2 ASP 50 1HB ASP 50 -6.103 -12.805 4.029 376 HB3 ASP 50 2HB ASP 50 -6.387 -13.722 2.563 377 H ILE 51 H ILE 51 -7.006 -10.938 -0.045 378 HA ILE 51 HA ILE 51 -9.689 -10.670 0.946 379 HB ILE 51 HB ILE 51 -10.177 -9.996 -1.374 380 HG12 ILE 51 1HG1 ILE 51 -7.229 -10.168 -1.976 381 HG13 ILE 51 2HG1 ILE 51 -8.288 -11.529 -2.291 382 HG21 ILE 51 1HG2 ILE 51 -9.400 -7.887 -1.046 383 HG22 ILE 51 2HG2 ILE 51 -9.036 -8.556 0.563 384 HG23 ILE 51 3HG2 ILE 51 -7.749 -8.429 -0.660 385 HD11 ILE 51 1HD1 ILE 51 -8.498 -10.438 -4.322 386 HD12 ILE 51 2HD1 ILE 51 -9.802 -9.610 -3.437 387 HD13 ILE 51 3HD1 ILE 51 -8.210 -8.833 -3.609 388 H THR 52 H THR 52 -7.683 -13.180 -0.361 389 HA THR 52 HA THR 52 -9.751 -14.671 -1.629 390 HB THR 52 HB THR 52 -7.990 -16.338 -1.846 391 HG1 THR 52 1HG THR 52 -6.569 -14.691 0.115 392 HG21 THR 52 1HG2 THR 52 -6.726 -14.993 -3.190 393 HG22 THR 52 2HG2 THR 52 -7.438 -13.561 -2.410 394 HG23 THR 52 3HG2 THR 52 -5.952 -14.287 -1.752 395 H LEU 53 H LEU 53 -9.290 -13.846 1.598 396 HA LEU 53 HA LEU 53 -10.017 -16.387 2.709 397 HB2 LEU 53 1HB LEU 53 -9.528 -13.626 3.759 398 HB3 LEU 53 2HB LEU 53 -10.354 -14.801 4.762 399 HG LEU 53 HG LEU 53 -7.582 -15.109 3.575 400 HD11 LEU 53 1HD1 LEU 53 -7.590 -13.476 5.353 401 HD12 LEU 53 2HD1 LEU 53 -8.499 -14.579 6.414 402 HD13 LEU 53 3HD1 LEU 53 -6.833 -14.979 5.933 403 HD21 LEU 53 1HD2 LEU 53 -9.440 -17.077 4.615 404 HD22 LEU 53 2HD2 LEU 53 -7.857 -17.299 3.830 405 HD23 LEU 53 3HD2 LEU 53 -7.948 -17.015 5.585 406 HA PRO 54 HA PRO 54 -14.303 -15.923 2.546 407 HB2 PRO 54 1HB PRO 54 -15.155 -17.183 4.817 408 HB3 PRO 54 2HB PRO 54 -14.662 -18.042 3.372 409 HG2 PRO 54 1HG PRO 54 -13.200 -17.708 5.919 410 HG3 PRO 54 2HG PRO 54 -12.936 -18.885 4.648 411 HD2 PRO 54 1HD PRO 54 -11.372 -16.536 5.163 412 HD3 PRO 54 2HD PRO 54 -11.180 -17.650 3.825 413 H GLU 55 H GLU 55 -12.904 -14.935 5.595 414 HA GLU 55 HA GLU 55 -15.176 -13.359 6.218 415 HB2 GLU 55 1HB GLU 55 -13.881 -12.641 8.160 416 HB3 GLU 55 2HB GLU 55 -13.694 -14.371 7.953 417 HG2 GLU 55 1HG GLU 55 -11.546 -13.806 6.592 418 HG3 GLU 55 2HG GLU 55 -11.698 -12.185 7.240 419 H ASN 56 H ASN 56 -12.456 -13.014 4.131 420 HA ASN 56 HA ASN 56 -12.718 -10.117 4.241 421 HB2 ASN 56 1HB ASN 56 -10.507 -11.895 3.086 422 HB3 ASN 56 2HB ASN 56 -10.525 -10.149 2.933 423 HD21 ASN 56 1HD2 ASN 56 -8.610 -11.898 4.245 424 HD22 ASN 56 2HD2 ASN 56 -8.495 -11.401 5.901 425 H SER 57 H SER 57 -14.097 -12.671 2.741 426 HA SER 57 HA SER 57 -13.654 -12.514 0.085 427 HB2 SER 57 1HB SER 57 -15.395 -13.875 1.669 428 HB3 SER 57 2HB SER 57 -16.517 -12.741 0.944 429 HG SER 57 HG SER 57 -14.675 -14.102 -0.768 430 H THR 58 H THR 58 -15.123 -10.133 2.197 431 HA THR 58 HA THR 58 -16.670 -8.780 0.243 432 HB THR 58 HB THR 58 -15.539 -8.122 3.000 433 HG1 THR 58 1HG THR 58 -17.489 -9.083 3.409 434 HG21 THR 58 1HG2 THR 58 -17.717 -6.475 1.714 435 HG22 THR 58 2HG2 THR 58 -16.567 -6.018 2.994 436 HG23 THR 58 3HG2 THR 58 -16.033 -6.078 1.297 437 H TRP 59 H TRP 59 -13.380 -8.148 1.627 438 HA TRP 59 HA TRP 59 -12.820 -5.897 0.160 439 HB2 TRP 59 1HB TRP 59 -11.149 -8.076 1.356 440 HB3 TRP 59 2HB TRP 59 -10.388 -6.862 0.347 441 HD1 TRP 59 HD TRP 59 -11.332 -7.409 3.879 442 HE1 TRP 59 1HE TRP 59 -11.199 -5.229 5.359 443 HE3 TRP 59 3HE TRP 59 -11.009 -4.153 -0.013 444 HZ2 TRP 59 2HZ TRP 59 -10.978 -2.450 4.750 445 HZ3 TRP 59 3HZ TRP 59 -10.838 -1.724 0.517 446 HH2 TRP 59 HH TRP 59 -10.819 -0.857 2.802 447 H TYR 60 H TYR 60 -13.035 -9.306 -0.787 448 HA TYR 60 HA TYR 60 -11.660 -8.893 -3.282 449 HB2 TYR 60 1HB TYR 60 -11.835 -11.024 -1.775 450 HB3 TYR 60 2HB TYR 60 -13.510 -11.140 -2.276 451 HD1 TYR 60 1HD TYR 60 -14.062 -11.604 -4.683 452 HD2 TYR 60 2HD TYR 60 -10.052 -11.758 -3.201 453 HE1 TYR 60 1HE TYR 60 -13.350 -12.933 -6.729 454 HE2 TYR 60 2HE TYR 60 -9.353 -13.087 -5.252 455 HH TYR 60 HH TYR 60 -11.497 -13.497 -7.951 456 H GLU 61 H GLU 61 -15.063 -9.644 -2.245 457 HA GLU 61 HA GLU 61 -16.174 -9.630 -4.723 458 HB2 GLU 61 1HB GLU 61 -17.282 -8.812 -2.014 459 HB3 GLU 61 2HB GLU 61 -18.295 -8.846 -3.444 460 HG2 GLU 61 1HG GLU 61 -17.043 -11.308 -3.622 461 HG3 GLU 61 2HG GLU 61 -17.145 -11.108 -1.884 462 H ARG 62 H ARG 62 -14.773 -6.981 -2.961 463 HA ARG 62 HA ARG 62 -16.222 -5.078 -4.593 464 HB2 ARG 62 1HB ARG 62 -15.383 -3.368 -3.059 465 HB3 ARG 62 2HB ARG 62 -16.019 -4.690 -2.101 466 HG2 ARG 62 1HG ARG 62 -13.763 -5.578 -1.713 467 HG3 ARG 62 2HG ARG 62 -13.066 -4.419 -2.827 468 HD2 ARG 62 1HD ARG 62 -14.127 -3.974 -0.040 469 HD3 ARG 62 2HD ARG 62 -12.659 -3.361 -0.774 470 HE ARG 62 HE ARG 62 -13.879 -1.569 -1.729 471 HH11 ARG 62 2HH2 ARG 62 -16.057 -3.897 -0.241 472 HH12 ARG 62 1HH2 ARG 62 -17.437 -2.853 -0.325 473 HH21 ARG 62 2HH1 ARG 62 -15.699 -0.190 -1.840 474 HH22 ARG 62 1HH1 ARG 62 -17.231 -0.731 -1.241 475 H TYR 63 H TYR 63 -13.020 -6.512 -3.967 476 HA TYR 63 HA TYR 63 -12.012 -5.088 -6.322 477 HB2 TYR 63 1HB TYR 63 -10.744 -5.545 -3.552 478 HB3 TYR 63 2HB TYR 63 -9.811 -5.001 -4.932 479 HD1 TYR 63 1HD TYR 63 -11.514 -2.993 -6.195 480 HD2 TYR 63 2HD TYR 63 -10.869 -3.781 -2.040 481 HE1 TYR 63 1HE TYR 63 -12.105 -0.583 -5.639 482 HE2 TYR 63 2HE TYR 63 -11.462 -1.369 -1.497 483 HH TYR 63 HH TYR 63 -11.640 1.020 -3.874 484 H LYS 64 H LYS 64 -12.652 -7.220 -7.304 485 HA LYS 64 HA LYS 64 -10.640 -9.265 -6.668 486 HB2 LYS 64 1HB LYS 64 -12.240 -10.924 -7.472 487 HB3 LYS 64 2HB LYS 64 -12.902 -10.003 -6.136 488 HG2 LYS 64 1HG LYS 64 -13.986 -8.468 -7.924 489 HG3 LYS 64 2HG LYS 64 -13.544 -9.692 -9.098 490 HD2 LYS 64 1HD LYS 64 -15.097 -11.224 -8.305 491 HD3 LYS 64 2HD LYS 64 -14.947 -10.687 -6.644 492 HE2 LYS 64 1HE LYS 64 -16.058 -8.441 -7.699 493 HE3 LYS 64 2HE LYS 64 -16.691 -9.608 -8.843 494 HZ1 LYS 64 1HZ LYS 64 -17.433 -9.186 -6.162 495 HZ2 LYS 64 2HZ LYS 64 -18.191 -10.062 -7.314 496 HZ3 LYS 64 3HZ LYS 64 -17.029 -10.751 -6.395 497 H PHE 65 H PHE 65 -11.332 -6.767 -8.744 498 HA PHE 65 HA PHE 65 -9.815 -8.082 -10.860 499 HB2 PHE 65 1HB PHE 65 -11.515 -6.524 -12.316 500 HB3 PHE 65 2HB PHE 65 -11.922 -8.180 -11.911 501 HD1 PHE 65 1HD PHE 65 -12.293 -4.709 -10.604 502 HD2 PHE 65 2HD PHE 65 -13.915 -8.625 -10.809 503 HE1 PHE 65 1HE PHE 65 -14.364 -3.913 -9.431 504 HE2 PHE 65 2HE PHE 65 -15.986 -7.829 -9.636 505 HZ PHE 65 HZ PHE 65 -16.186 -5.482 -8.961 506 H ASP 66 H ASP 66 -9.578 -5.908 -8.583 507 HA ASP 66 HA ASP 66 -8.592 -3.830 -10.376 508 HB2 ASP 66 1HB ASP 66 -9.097 -3.294 -7.454 509 HB3 ASP 66 2HB ASP 66 -9.194 -2.188 -8.809 510 H ILE 67 H ILE 67 -8.144 -5.736 -7.338 511 HA ILE 67 HA ILE 67 -5.907 -4.796 -6.261 512 HB ILE 67 HB ILE 67 -5.291 -7.264 -5.885 513 HG12 ILE 67 1HG1 ILE 67 -7.771 -7.525 -7.569 514 HG13 ILE 67 2HG1 ILE 67 -6.263 -8.411 -7.672 515 HG21 ILE 67 1HG2 ILE 67 -6.886 -7.440 -4.157 516 HG22 ILE 67 2HG2 ILE 67 -6.613 -5.696 -4.383 517 HG23 ILE 67 3HG2 ILE 67 -8.079 -6.460 -5.044 518 HD11 ILE 67 1HD1 ILE 67 -6.873 -9.240 -5.236 519 HD12 ILE 67 2HD1 ILE 67 -8.521 -8.738 -5.686 520 HD13 ILE 67 3HD1 ILE 67 -7.677 -9.979 -6.642 521 HA PRO 68 HA PRO 68 -4.138 -5.751 -5.464 522 HB2 PRO 68 1HB PRO 68 -1.685 -4.621 -5.047 523 HB3 PRO 68 2HB PRO 68 -1.927 -6.347 -5.228 524 HG2 PRO 68 1HG PRO 68 -0.807 -4.419 -7.169 525 HG3 PRO 68 2HG PRO 68 -0.670 -6.166 -7.154 526 HD2 PRO 68 1HD PRO 68 -2.379 -4.594 -8.837 527 HD3 PRO 68 2HD PRO 68 -2.324 -6.343 -8.740 528 H VAL 69 H VAL 69 -5.175 -4.400 -4.129 529 HA VAL 69 HA VAL 69 -5.248 -1.642 -5.082 530 HB VAL 69 HB VAL 69 -6.967 -3.217 -3.158 531 HG11 VAL 69 1HG1 VAL 69 -8.451 -1.209 -3.163 532 HG12 VAL 69 2HG1 VAL 69 -6.883 -0.936 -2.367 533 HG13 VAL 69 3HG1 VAL 69 -7.169 -0.310 -4.009 534 HG21 VAL 69 1HG2 VAL 69 -6.992 -2.907 -6.008 535 HG22 VAL 69 2HG2 VAL 69 -8.113 -3.821 -4.971 536 HG23 VAL 69 3HG2 VAL 69 -8.432 -2.108 -5.332 537 H PHE 70 H PHE 70 -4.390 0.056 -3.930 538 HA PHE 70 HA PHE 70 -3.127 -0.683 -1.383 539 HB2 PHE 70 1HB PHE 70 -2.417 1.399 -3.538 540 HB3 PHE 70 2HB PHE 70 -1.513 1.185 -2.052 541 HD1 PHE 70 2HD PHE 70 -2.292 -0.274 -5.322 542 HD2 PHE 70 1HD PHE 70 -0.017 -0.693 -1.764 543 HE1 PHE 70 2HE PHE 70 -0.854 -1.998 -6.444 544 HE2 PHE 70 1HE PHE 70 1.421 -2.417 -2.887 545 HZ PHE 70 HZ PHE 70 0.986 -3.048 -5.214 546 H HIS 71 H HIS 71 -3.995 0.291 0.381 547 HA HIS 71 HA HIS 71 -5.369 2.837 -0.087 548 HB2 HIS 71 1HB HIS 71 -5.976 0.629 1.895 549 HB3 HIS 71 2HB HIS 71 -6.721 2.215 1.945 550 HD1 HIS 71 1HD HIS 71 -8.878 0.430 1.635 551 HD2 HIS 71 2HD HIS 71 -6.493 1.285 -1.707 552 HE1 HIS 71 1HE HIS 71 -10.262 -0.205 -0.412 553 H LEU 72 H LEU 72 -4.302 4.562 0.726 554 HA LEU 72 HA LEU 72 -2.421 4.044 2.911 555 HB2 LEU 72 1HB LEU 72 -2.087 5.312 0.485 556 HB3 LEU 72 2HB LEU 72 -2.318 6.652 1.591 557 HG LEU 72 HG LEU 72 -0.126 4.600 1.530 558 HD11 LEU 72 1HD1 LEU 72 1.099 6.896 2.074 559 HD12 LEU 72 2HD1 LEU 72 0.647 6.428 0.417 560 HD13 LEU 72 3HD1 LEU 72 -0.374 7.564 1.331 561 HD21 LEU 72 1HD2 LEU 72 0.430 5.980 3.820 562 HD22 LEU 72 2HD2 LEU 72 -1.333 5.770 3.946 563 HD23 LEU 72 3HD2 LEU 72 -0.279 4.349 3.752 564 H ASN 73 H ASN 73 -3.023 4.603 4.928 565 HA ASN 73 HA ASN 73 -4.006 5.608 6.578 566 HB2 ASN 73 1HB ASN 73 -4.036 7.799 4.506 567 HB3 ASN 73 2HB ASN 73 -5.062 8.033 5.907 568 HD21 ASN 73 1HD2 ASN 73 -1.870 7.950 4.661 569 HD22 ASN 73 2HD2 ASN 73 -1.001 8.382 6.096 570 H GLY 74 H GLY 74 -5.570 3.696 5.453 571 HA2 GLY 74 1HA GLY 74 -7.662 2.973 5.038 572 HA3 GLY 74 2HA GLY 74 -8.156 4.218 6.168 573 H GLN 75 H GLN 75 -6.598 4.625 2.928 574 HA GLN 75 HA GLN 75 -9.092 5.423 1.791 575 HB2 GLN 75 1HB GLN 75 -8.306 7.485 3.014 576 HB3 GLN 75 2HB GLN 75 -6.853 7.480 2.035 577 HG2 GLN 75 1HG GLN 75 -8.342 8.998 0.936 578 HG3 GLN 75 2HG GLN 75 -8.377 7.540 -0.036 579 HE21 GLN 75 1HE2 GLN 75 -10.374 7.849 -0.883 580 HE22 GLN 75 2HE2 GLN 75 -11.851 7.756 0.017 581 H PHE 76 H PHE 76 -9.078 4.604 -0.256 582 HA PHE 76 HA PHE 76 -7.075 3.250 -1.398 583 HB2 PHE 76 1HB PHE 76 -9.132 3.155 -2.553 584 HB3 PHE 76 2HB PHE 76 -9.455 4.860 -2.303 585 HD1 PHE 76 2HD PHE 76 -7.042 2.710 -4.183 586 HD2 PHE 76 1HD PHE 76 -9.430 6.218 -4.160 587 HE1 PHE 76 2HE PHE 76 -6.366 3.186 -6.553 588 HE2 PHE 76 1HE PHE 76 -8.754 6.694 -6.530 589 HZ PHE 76 HZ PHE 76 -7.230 5.172 -7.698 590 H LEU 77 H LEU 77 -4.990 3.776 -1.844 591 HA LEU 77 HA LEU 77 -4.381 6.546 -2.470 592 HB2 LEU 77 1HB LEU 77 -2.616 6.107 -1.236 593 HB3 LEU 77 2HB LEU 77 -3.089 4.426 -1.093 594 HG LEU 77 HG LEU 77 -1.945 4.156 -3.428 595 HD11 LEU 77 1HD1 LEU 77 -0.772 6.771 -2.461 596 HD12 LEU 77 2HD1 LEU 77 0.022 5.714 -3.653 597 HD13 LEU 77 3HD1 LEU 77 -1.569 6.427 -4.015 598 HD21 LEU 77 1HD2 LEU 77 -1.035 3.949 -0.717 599 HD22 LEU 77 2HD2 LEU 77 -0.599 2.963 -2.133 600 HD23 LEU 77 3HD2 LEU 77 0.323 4.439 -1.757 601 H MET 78 H MET 78 -4.204 3.240 -3.896 602 HA MET 78 HA MET 78 -4.657 4.192 -6.449 603 HB2 MET 78 1HB MET 78 -2.476 4.077 -7.489 604 HB3 MET 78 2HB MET 78 -2.232 5.017 -6.031 605 HG2 MET 78 1HG MET 78 -1.549 2.843 -4.853 606 HG3 MET 78 2HG MET 78 -1.601 2.054 -6.417 607 HE1 MET 78 1HE MET 78 0.811 2.889 -4.100 608 HE2 MET 78 2HE MET 78 1.000 1.596 -5.308 609 HE3 MET 78 3HE MET 78 2.203 2.905 -5.209 610 H MET 79 H MET 79 -4.878 2.444 -7.992 611 HA MET 79 HA MET 79 -4.171 -0.177 -7.008 612 HB2 MET 79 1HB MET 79 -6.500 -1.015 -7.417 613 HB3 MET 79 2HB MET 79 -6.491 0.224 -6.178 614 HG2 MET 79 1HG MET 79 -7.234 1.927 -7.790 615 HG3 MET 79 2HG MET 79 -7.072 0.800 -9.123 616 HE1 MET 79 1HE MET 79 -10.631 1.550 -6.604 617 HE2 MET 79 2HE MET 79 -9.023 2.304 -6.495 618 HE3 MET 79 3HE MET 79 -9.975 2.451 -7.992 619 H HIS 80 H HIS 80 -4.499 -1.894 -8.750 620 HA HIS 80 HA HIS 80 -4.608 -2.572 -10.879 621 HB2 HIS 80 1HB HIS 80 -4.561 0.277 -11.878 622 HB3 HIS 80 2HB HIS 80 -5.086 -1.162 -12.728 623 HD1 HIS 80 1HD HIS 80 -6.852 1.457 -12.213 624 HD2 HIS 80 2HD HIS 80 -7.079 -2.148 -10.081 625 HE1 HIS 80 1HE HIS 80 -9.189 1.377 -11.191 626 H ARG 81 H ARG 81 -2.312 -1.221 -9.099 627 HA ARG 81 HA ARG 81 -0.216 -2.322 -10.248 628 HB2 ARG 81 1HB ARG 81 -0.983 0.018 -11.829 629 HB3 ARG 81 2HB ARG 81 0.621 0.251 -11.164 630 HG2 ARG 81 1HG ARG 81 1.481 -1.717 -12.219 631 HG3 ARG 81 2HG ARG 81 -0.119 -2.372 -12.508 632 HD2 ARG 81 1HD ARG 81 -0.549 -0.892 -14.312 633 HD3 ARG 81 2HD ARG 81 0.642 0.275 -13.775 634 HE ARG 81 HE ARG 81 2.274 -0.899 -14.963 635 HH11 ARG 81 2HH2 ARG 81 -0.464 -3.033 -14.392 636 HH12 ARG 81 1HH2 ARG 81 0.175 -4.322 -15.357 637 HH21 ARG 81 2HH1 ARG 81 3.118 -2.598 -16.236 638 HH22 ARG 81 1HH1 ARG 81 2.227 -4.073 -16.413 639 H VAL 82 H VAL 82 1.915 -0.451 -9.898 640 HA VAL 82 HA VAL 82 1.363 0.698 -7.258 641 HB VAL 82 HB VAL 82 3.817 -0.910 -7.985 642 HG11 VAL 82 1HG1 VAL 82 3.382 -0.674 -5.172 643 HG12 VAL 82 2HG1 VAL 82 4.726 -0.034 -6.148 644 HG13 VAL 82 3HG1 VAL 82 3.267 0.952 -5.887 645 HG21 VAL 82 1HG2 VAL 82 1.199 -1.719 -6.815 646 HG22 VAL 82 2HG2 VAL 82 2.356 -2.648 -7.797 647 HG23 VAL 82 3HG2 VAL 82 2.665 -2.392 -6.063 648 H ASN 83 H ASN 83 1.149 2.717 -8.471 649 HA ASN 83 HA ASN 83 3.381 3.577 -9.994 650 HB2 ASN 83 1HB ASN 83 0.668 4.570 -9.298 651 HB3 ASN 83 2HB ASN 83 1.853 5.857 -9.405 652 HD21 ASN 83 1HD2 ASN 83 0.451 6.474 -11.212 653 HD22 ASN 83 2HD2 ASN 83 0.760 5.826 -12.789 654 H THR 84 H THR 84 5.045 3.310 -8.223 655 HA THR 84 HA THR 84 5.091 4.299 -5.746 656 HB THR 84 HB THR 84 7.540 4.564 -6.106 657 HG1 THR 84 1HG THR 84 6.596 4.416 -8.884 658 HG21 THR 84 1HG2 THR 84 7.962 2.358 -6.682 659 HG22 THR 84 2HG2 THR 84 6.192 2.211 -6.567 660 HG23 THR 84 3HG2 THR 84 6.963 2.453 -8.152 661 H SER 85 H SER 85 5.729 6.318 -8.687 662 HA SER 85 HA SER 85 6.328 8.639 -7.613 663 HB2 SER 85 1HB SER 85 5.165 7.763 -10.056 664 HB3 SER 85 2HB SER 85 4.183 9.116 -9.531 665 HG SER 85 HG SER 85 5.782 10.472 -9.982 666 H LYS 86 H LYS 86 3.002 7.227 -7.749 667 HA LYS 86 HA LYS 86 1.754 9.469 -6.568 668 HB2 LYS 86 1HB LYS 86 0.925 7.195 -7.877 669 HB3 LYS 86 2HB LYS 86 0.452 6.849 -6.226 670 HG2 LYS 86 1HG LYS 86 -1.183 8.449 -6.230 671 HG3 LYS 86 2HG LYS 86 -0.154 9.633 -7.009 672 HD2 LYS 86 1HD LYS 86 -1.611 9.305 -8.765 673 HD3 LYS 86 2HD LYS 86 -0.520 7.982 -9.127 674 HE2 LYS 86 1HE LYS 86 -2.270 6.851 -7.251 675 HE3 LYS 86 2HE LYS 86 -3.321 7.898 -8.183 676 HZ1 LYS 86 1HZ LYS 86 -1.437 6.200 -9.602 677 HZ2 LYS 86 2HZ LYS 86 -2.794 5.526 -8.993 678 HZ3 LYS 86 3HZ LYS 86 -2.902 6.741 -10.079 679 H LEU 87 H LEU 87 2.476 6.167 -5.218 680 HA LEU 87 HA LEU 87 1.804 6.583 -2.653 681 HB2 LEU 87 1HB LEU 87 2.473 4.452 -3.194 682 HB3 LEU 87 2HB LEU 87 3.949 4.984 -3.976 683 HG LEU 87 HG LEU 87 4.841 5.594 -1.690 684 HD11 LEU 87 1HD1 LEU 87 3.791 4.654 0.279 685 HD12 LEU 87 2HD1 LEU 87 2.658 5.750 -0.548 686 HD13 LEU 87 3HD1 LEU 87 2.467 3.987 -0.707 687 HD21 LEU 87 1HD2 LEU 87 5.117 3.354 -3.062 688 HD22 LEU 87 2HD2 LEU 87 5.766 3.520 -1.413 689 HD23 LEU 87 3HD2 LEU 87 4.226 2.668 -1.682 690 H GLU 88 H GLU 88 5.214 7.075 -3.821 691 HA GLU 88 HA GLU 88 6.227 8.220 -1.653 692 HB2 GLU 88 1HB GLU 88 6.768 9.363 -4.419 693 HB3 GLU 88 2HB GLU 88 7.884 9.249 -3.073 694 HG2 GLU 88 1HG GLU 88 7.118 6.598 -3.385 695 HG3 GLU 88 2HG GLU 88 7.077 7.171 -5.040 696 H LYS 89 H LYS 89 4.443 9.997 -4.272 697 HA LYS 89 HA LYS 89 4.631 12.523 -3.243 698 HB2 LYS 89 1HB LYS 89 3.581 11.568 -5.447 699 HB3 LYS 89 2HB LYS 89 2.089 11.560 -4.529 700 HG2 LYS 89 1HG LYS 89 3.804 14.051 -4.483 701 HG3 LYS 89 2HG LYS 89 2.838 13.722 -5.909 702 HD2 LYS 89 1HD LYS 89 1.011 13.248 -3.867 703 HD3 LYS 89 2HD LYS 89 1.971 14.548 -3.190 704 HE2 LYS 89 1HE LYS 89 1.650 15.725 -5.512 705 HE3 LYS 89 2HE LYS 89 0.378 14.551 -5.780 706 HZ1 LYS 89 1HZ LYS 89 0.389 16.812 -4.071 707 HZ2 LYS 89 2HZ LYS 89 -0.876 15.959 -4.653 708 HZ3 LYS 89 3HZ LYS 89 -0.115 15.467 -3.295 709 H GLN 90 H GLN 90 2.051 10.055 -2.575 710 HA GLN 90 HA GLN 90 0.680 11.621 -0.776 711 HB2 GLN 90 1HB GLN 90 0.939 8.596 -1.016 712 HB3 GLN 90 2HB GLN 90 -0.192 9.369 0.078 713 HG2 GLN 90 1HG GLN 90 -0.109 9.727 -2.956 714 HG3 GLN 90 2HG GLN 90 -1.297 8.796 -2.065 715 HE21 GLN 90 1HE2 GLN 90 -0.072 11.976 -2.811 716 HE22 GLN 90 2HE2 GLN 90 -1.433 12.902 -2.271 717 H LEU 91 H LEU 91 3.297 9.169 -0.240 718 HA LEU 91 HA LEU 91 3.397 9.051 2.436 719 HB2 LEU 91 1HB LEU 91 5.461 9.009 0.291 720 HB3 LEU 91 2HB LEU 91 6.016 9.106 1.950 721 HG LEU 91 HG LEU 91 4.126 6.964 0.947 722 HD11 LEU 91 1HD1 LEU 91 5.824 5.659 0.260 723 HD12 LEU 91 2HD1 LEU 91 6.681 7.207 0.067 724 HD13 LEU 91 3HD1 LEU 91 6.926 6.230 1.535 725 HD21 LEU 91 1HD2 LEU 91 4.091 7.448 3.386 726 HD22 LEU 91 2HD2 LEU 91 4.640 5.802 2.989 727 HD23 LEU 91 3HD2 LEU 91 5.824 7.047 3.454 728 H ARG 92 H ARG 92 4.648 11.739 0.377 729 HA ARG 92 HA ARG 92 5.557 13.142 2.665 730 HB2 ARG 92 1HB ARG 92 6.650 14.431 1.119 731 HB3 ARG 92 2HB ARG 92 6.116 13.244 -0.054 732 HG2 ARG 92 1HG ARG 92 4.034 14.584 -0.455 733 HG3 ARG 92 2HG ARG 92 4.584 15.776 0.707 734 HD2 ARG 92 1HD ARG 92 6.738 15.951 -0.765 735 HD3 ARG 92 2HD ARG 92 5.827 15.084 -1.985 736 HE ARG 92 HE ARG 92 4.669 17.054 -2.434 737 HH11 ARG 92 2HH2 ARG 92 5.919 17.221 0.851 738 HH12 ARG 92 1HH2 ARG 92 5.366 18.842 1.115 739 HH21 ARG 92 2HH1 ARG 92 3.940 19.192 -2.087 740 HH22 ARG 92 1HH1 ARG 92 4.233 19.970 -0.567 741 H LYS 93 H LYS 93 2.676 13.096 0.543 742 HA LYS 93 HA LYS 93 1.564 15.353 2.041 743 HB2 LYS 93 1HB LYS 93 1.347 15.886 -0.193 744 HB3 LYS 93 2HB LYS 93 1.117 14.223 -0.695 745 HG2 LYS 93 1HG LYS 93 -1.153 14.246 -0.246 746 HG3 LYS 93 2HG LYS 93 -0.982 15.301 1.143 747 HD2 LYS 93 1HD LYS 93 -0.211 16.983 -0.926 748 HD3 LYS 93 2HD LYS 93 -1.423 15.994 -1.716 749 HE2 LYS 93 1HE LYS 93 -2.938 16.475 0.337 750 HE3 LYS 93 2HE LYS 93 -1.766 17.697 0.788 751 HZ1 LYS 93 1HZ LYS 93 -3.200 18.861 -0.513 752 HZ2 LYS 93 2HZ LYS 93 -2.100 18.439 -1.643 753 HZ3 LYS 93 3HZ LYS 93 -3.512 17.626 -1.534 754 H LEU 94 H LEU 94 1.368 13.916 3.964 755 HA LEU 94 HA LEU 94 -1.204 12.574 3.846 756 HB2 LEU 94 1HB LEU 94 1.395 11.217 4.216 757 HB3 LEU 94 2HB LEU 94 0.149 10.792 5.374 758 HG LEU 94 HG LEU 94 0.045 10.493 2.365 759 HD11 LEU 94 1HD1 LEU 94 1.154 8.629 3.072 760 HD12 LEU 94 2HD1 LEU 94 0.389 8.638 4.679 761 HD13 LEU 94 3HD1 LEU 94 -0.523 8.066 3.262 762 HD21 LEU 94 1HD2 LEU 94 -2.161 10.522 4.375 763 HD22 LEU 94 2HD2 LEU 94 -2.144 11.051 2.676 764 HD23 LEU 94 3HD2 LEU 94 -2.227 9.317 3.067 765 H SER 95 H SER 95 1.665 13.212 5.992 766 HA SER 95 HA SER 95 1.815 14.050 7.987 767 HB2 SER 95 1HB SER 95 0.674 15.995 6.698 768 HB3 SER 95 2HB SER 95 -0.796 15.543 7.539 769 HG SER 95 HG SER 95 -0.076 16.498 9.314 770 H GLY 96 H GLY 96 0.704 14.231 10.252 771 HA2 GLY 96 1HA GLY 96 -0.268 11.872 11.114 772 HA3 GLY 96 2HA GLY 96 -0.650 13.408 11.867 773 HA PRO 97 HA PRO 97 -4.303 11.575 9.487 774 HB2 PRO 97 1HB PRO 97 -5.098 9.312 10.797 775 HB3 PRO 97 2HB PRO 97 -4.145 9.283 9.326 776 HG2 PRO 97 1HG PRO 97 -3.279 8.768 12.105 777 HG3 PRO 97 2HG PRO 97 -2.476 8.340 10.607 778 HD2 PRO 97 1HD PRO 97 -1.785 10.495 12.370 779 HD3 PRO 97 2HD PRO 97 -1.057 10.137 10.816 780 H SER 98 H SER 98 -4.384 10.569 12.877 781 HA SER 98 HA SER 98 -6.537 12.514 13.161 782 HB2 SER 98 1HB SER 98 -7.057 10.032 13.514 783 HB3 SER 98 2HB SER 98 -6.017 10.084 14.923 784 HG SER 98 HG SER 98 -7.407 11.587 15.923 785 H SER 99 H SER 99 -5.689 14.371 14.055 786 HA SER 99 HA SER 99 -4.537 14.199 16.618 787 HB2 SER 99 1HB SER 99 -2.380 15.402 15.963 788 HB3 SER 99 2HB SER 99 -2.461 13.703 15.540 789 HG SER 99 HG SER 99 -3.196 14.430 13.360 790 H GLY 100 H GLY 100 -4.772 16.202 17.704 791 HA2 GLY 100 1HA GLY 100 -4.728 18.674 17.308 792 HA3 GLY 100 2HA GLY 100 -5.913 18.375 16.052 Start of MODEL 17 1 H1 GLY 1 H GLY 1 41.877 31.196 20.617 2 HA2 GLY 1 1HA GLY 1 41.462 32.281 18.264 3 HA3 GLY 1 2HA GLY 1 41.598 30.607 17.764 4 H SER 2 H SER 2 39.411 30.363 17.124 5 HA SER 2 HA SER 2 37.399 30.983 19.079 6 HB2 SER 2 1HB SER 2 35.803 30.400 17.294 7 HB3 SER 2 2HB SER 2 37.007 31.526 16.698 8 HG SER 2 HG SER 2 36.766 28.706 16.176 9 H SER 3 H SER 3 35.884 29.370 19.921 10 HA SER 3 HA SER 3 37.169 26.788 20.125 11 HB2 SER 3 1HB SER 3 35.439 28.445 21.845 12 HB3 SER 3 2HB SER 3 34.923 26.771 21.799 13 HG SER 3 HG SER 3 36.459 26.511 23.279 14 H GLY 4 H GLY 4 33.826 28.168 19.674 15 HA2 GLY 4 1HA GLY 4 32.203 27.538 18.215 16 HA3 GLY 4 2HA GLY 4 33.270 26.323 17.539 17 H SER 5 H SER 5 30.616 25.649 17.911 18 HA SER 5 HA SER 5 30.914 23.577 19.871 19 HB2 SER 5 1HB SER 5 29.847 25.606 21.034 20 HB3 SER 5 2HB SER 5 28.462 25.378 19.985 21 HG SER 5 HG SER 5 29.513 23.519 21.936 22 H SER 6 H SER 6 28.808 22.092 19.744 23 HA SER 6 HA SER 6 27.216 22.308 17.470 24 HB2 SER 6 1HB SER 6 28.116 20.657 16.000 25 HB3 SER 6 2HB SER 6 29.468 21.688 16.422 26 HG SER 6 HG SER 6 29.735 19.959 18.259 27 H GLY 7 H GLY 7 25.444 20.895 17.688 28 HA2 GLY 7 1HA GLY 7 25.072 18.466 18.520 29 HA3 GLY 7 2HA GLY 7 25.522 19.166 20.063 30 H ASN 8 H ASN 8 23.628 19.268 21.228 31 HA ASN 8 HA ASN 8 21.661 19.929 21.852 32 HB2 ASN 8 1HB ASN 8 22.557 22.064 20.137 33 HB3 ASN 8 2HB ASN 8 20.859 21.815 19.782 34 HD21 ASN 8 1HD2 ASN 8 20.047 23.594 20.723 35 HD22 ASN 8 2HD2 ASN 8 20.081 23.933 22.421 36 H LEU 9 H LEU 9 20.294 18.148 21.451 37 HA LEU 9 HA LEU 9 18.495 18.308 19.281 38 HB2 LEU 9 1HB LEU 9 20.850 17.224 18.494 39 HB3 LEU 9 2HB LEU 9 20.016 15.786 19.049 40 HG LEU 9 HG LEU 9 18.104 17.078 17.492 41 HD11 LEU 9 1HD1 LEU 9 20.466 18.301 16.784 42 HD12 LEU 9 2HD1 LEU 9 20.315 17.006 15.573 43 HD13 LEU 9 3HD1 LEU 9 19.003 18.190 15.776 44 HD21 LEU 9 1HD2 LEU 9 18.971 15.244 15.774 45 HD22 LEU 9 2HD2 LEU 9 19.887 14.706 17.202 46 HD23 LEU 9 3HD2 LEU 9 18.112 14.812 17.271 47 H SER 10 H SER 10 16.739 17.993 20.559 48 HA SER 10 HA SER 10 16.758 15.521 22.091 49 HB2 SER 10 1HB SER 10 15.551 16.640 23.936 50 HB3 SER 10 2HB SER 10 17.123 17.372 23.679 51 HG SER 10 HG SER 10 14.884 18.685 23.816 52 H ALA 11 H ALA 11 14.322 15.027 22.810 53 HA ALA 11 HA ALA 11 12.267 14.514 22.173 54 HB1 ALA 11 1HB ALA 11 10.979 16.345 21.903 55 HB2 ALA 11 2HB ALA 11 12.490 17.286 21.888 56 HB3 ALA 11 3HB ALA 11 11.758 16.754 20.356 57 H SER 12 H SER 12 11.099 13.451 20.464 58 HA SER 12 HA SER 12 11.762 13.672 17.807 59 HB2 SER 12 1HB SER 12 13.846 12.409 19.099 60 HB3 SER 12 2HB SER 12 12.871 11.033 18.622 61 HG SER 12 HG SER 12 14.027 13.068 16.932 62 H ASN 13 H ASN 13 10.213 12.531 16.584 63 HA ASN 13 HA ASN 13 8.569 10.712 18.164 64 HB2 ASN 13 1HB ASN 13 7.886 12.915 16.226 65 HB3 ASN 13 2HB ASN 13 6.873 11.486 16.164 66 HD21 ASN 13 1HD2 ASN 13 7.031 14.443 17.392 67 HD22 ASN 13 2HD2 ASN 13 6.169 14.277 18.885 68 H ARG 14 H ARG 14 7.346 9.077 16.657 69 HA ARG 14 HA ARG 14 8.545 8.674 14.110 70 HB2 ARG 14 1HB ARG 14 9.606 7.287 16.421 71 HB3 ARG 14 2HB ARG 14 8.785 6.108 15.417 72 HG2 ARG 14 1HG ARG 14 10.174 6.543 13.536 73 HG3 ARG 14 2HG ARG 14 10.666 8.114 14.138 74 HD2 ARG 14 1HD ARG 14 12.237 7.214 15.630 75 HD3 ARG 14 2HD ARG 14 11.366 5.704 15.812 76 HE ARG 14 HE ARG 14 13.336 6.344 13.745 77 HH11 ARG 14 2HH2 ARG 14 10.590 4.298 14.557 78 HH12 ARG 14 1HH2 ARG 14 11.028 3.049 13.439 79 HH21 ARG 14 2HH1 ARG 14 13.913 4.696 12.271 80 HH22 ARG 14 1HH1 ARG 14 12.931 3.277 12.130 81 H ALA 15 H ALA 15 6.872 7.993 12.802 82 HA ALA 15 HA ALA 15 5.127 5.913 13.564 83 HB1 ALA 15 1HB ALA 15 4.140 7.656 14.987 84 HB2 ALA 15 2HB ALA 15 3.994 8.740 13.583 85 HB3 ALA 15 3HB ALA 15 3.034 7.243 13.655 86 H LEU 16 H LEU 16 4.797 4.889 11.659 87 HA LEU 16 HA LEU 16 4.906 6.544 9.242 88 HB2 LEU 16 1HB LEU 16 5.312 3.565 9.503 89 HB3 LEU 16 2HB LEU 16 5.566 4.547 8.073 90 HG LEU 16 HG LEU 16 7.151 4.846 10.638 91 HD11 LEU 16 1HD1 LEU 16 8.819 3.836 8.628 92 HD12 LEU 16 2HD1 LEU 16 8.237 2.991 10.082 93 HD13 LEU 16 3HD1 LEU 16 7.339 2.851 8.552 94 HD21 LEU 16 1HD2 LEU 16 8.268 5.785 8.075 95 HD22 LEU 16 2HD2 LEU 16 6.843 6.682 8.652 96 HD23 LEU 16 3HD2 LEU 16 8.283 6.537 9.688 97 HA PRO 17 HA PRO 17 0.781 5.602 8.401 98 HB2 PRO 17 1HB PRO 17 0.700 5.648 5.670 99 HB3 PRO 17 2HB PRO 17 0.702 7.099 6.653 100 HG2 PRO 17 1HG PRO 17 2.905 5.936 5.062 101 HG3 PRO 17 2HG PRO 17 2.746 7.564 5.690 102 HD2 PRO 17 1HD PRO 17 4.395 5.469 6.748 103 HD3 PRO 17 2HD PRO 17 4.146 7.059 7.442 104 H VAL 18 H VAL 18 -0.836 4.080 7.702 105 HA VAL 18 HA VAL 18 0.454 1.473 7.393 106 HB VAL 18 HB VAL 18 -2.280 2.333 8.347 107 HG11 VAL 18 1HG1 VAL 18 -1.193 -0.488 8.048 108 HG12 VAL 18 2HG1 VAL 18 -2.749 -0.032 8.783 109 HG13 VAL 18 3HG1 VAL 18 -2.467 0.251 7.049 110 HG21 VAL 18 1HG2 VAL 18 0.242 1.404 9.670 111 HG22 VAL 18 2HG2 VAL 18 -0.914 2.662 10.167 112 HG23 VAL 18 3HG2 VAL 18 -1.319 0.943 10.391 113 H LEU 19 H LEU 19 0.579 0.663 5.371 114 HA LEU 19 HA LEU 19 -1.392 1.627 3.432 115 HB2 LEU 19 1HB LEU 19 0.945 2.084 2.921 116 HB3 LEU 19 2HB LEU 19 1.332 0.380 3.050 117 HG LEU 19 HG LEU 19 -0.526 0.165 1.157 118 HD11 LEU 19 1HD1 LEU 19 -0.991 2.653 1.299 119 HD12 LEU 19 2HD1 LEU 19 0.595 2.901 0.530 120 HD13 LEU 19 3HD1 LEU 19 -0.678 1.999 -0.327 121 HD21 LEU 19 1HD2 LEU 19 1.840 1.094 -0.190 122 HD22 LEU 19 2HD2 LEU 19 2.291 0.167 1.261 123 HD23 LEU 19 3HD2 LEU 19 1.236 -0.566 0.028 124 H THR 20 H THR 20 -3.135 0.325 3.246 125 HA THR 20 HA THR 20 -2.907 -2.469 3.931 126 HB THR 20 HB THR 20 -5.258 -0.836 2.842 127 HG1 THR 20 1HG THR 20 -4.119 -0.082 4.868 128 HG21 THR 20 1HG2 THR 20 -5.209 -3.280 4.682 129 HG22 THR 20 2HG2 THR 20 -6.640 -2.504 3.960 130 HG23 THR 20 3HG2 THR 20 -5.495 -3.394 2.929 131 H LEU 21 H LEU 21 -1.978 -3.860 2.562 132 HA LEU 21 HA LEU 21 -2.391 -3.386 -0.295 133 HB2 LEU 21 1HB LEU 21 -0.125 -3.533 0.100 134 HB3 LEU 21 2HB LEU 21 -0.299 -4.762 1.337 135 HG LEU 21 HG LEU 21 -0.790 -6.455 -0.347 136 HD11 LEU 21 1HD1 LEU 21 -0.396 -5.773 -2.802 137 HD12 LEU 21 2HD1 LEU 21 -1.964 -5.388 -2.052 138 HD13 LEU 21 3HD1 LEU 21 -0.733 -4.117 -2.244 139 HD21 LEU 21 1HD2 LEU 21 1.615 -5.219 -1.555 140 HD22 LEU 21 2HD2 LEU 21 1.642 -5.425 0.213 141 HD23 LEU 21 3HD2 LEU 21 1.377 -6.833 -0.843 142 H PHE 22 H PHE 22 -3.858 -4.571 -1.392 143 HA PHE 22 HA PHE 22 -4.875 -6.958 -0.036 144 HB2 PHE 22 1HB PHE 22 -5.916 -5.057 -2.216 145 HB3 PHE 22 2HB PHE 22 -6.769 -6.524 -1.779 146 HD1 PHE 22 2HD PHE 22 -7.392 -6.769 0.747 147 HD2 PHE 22 1HD PHE 22 -6.408 -3.080 -1.105 148 HE1 PHE 22 2HE PHE 22 -8.582 -5.533 2.579 149 HE2 PHE 22 1HE PHE 22 -7.598 -1.843 0.727 150 HZ PHE 22 HZ PHE 22 -8.670 -3.084 2.547 151 H THR 23 H THR 23 -3.573 -8.657 -0.712 152 HA THR 23 HA THR 23 -3.190 -8.912 -3.619 153 HB THR 23 HB THR 23 -1.034 -8.919 -2.677 154 HG1 THR 23 1HG THR 23 -1.194 -10.968 -3.667 155 HG21 THR 23 1HG2 THR 23 -2.314 -10.354 -0.298 156 HG22 THR 23 2HG2 THR 23 -0.553 -10.232 -0.520 157 HG23 THR 23 3HG2 THR 23 -1.526 -8.759 -0.295 158 H LYS 24 H LYS 24 -3.007 -11.334 -4.303 159 HA LYS 24 HA LYS 24 -4.578 -13.170 -2.828 160 HB2 LYS 24 1HB LYS 24 -6.547 -13.282 -4.156 161 HB3 LYS 24 2HB LYS 24 -6.355 -11.612 -3.661 162 HG2 LYS 24 1HG LYS 24 -6.075 -10.883 -5.809 163 HG3 LYS 24 2HG LYS 24 -4.967 -12.182 -6.203 164 HD2 LYS 24 1HD LYS 24 -7.361 -13.561 -5.977 165 HD3 LYS 24 2HD LYS 24 -7.911 -12.020 -6.604 166 HE2 LYS 24 1HE LYS 24 -5.619 -12.579 -8.143 167 HE3 LYS 24 2HE LYS 24 -6.382 -14.146 -7.957 168 HZ1 LYS 24 1HZ LYS 24 -8.077 -13.519 -9.223 169 HZ2 LYS 24 2HZ LYS 24 -8.212 -12.037 -8.549 170 HZ3 LYS 24 3HZ LYS 24 -7.117 -12.299 -9.731 171 H ALA 25 H ALA 25 -5.256 -15.023 -4.673 172 HA ALA 25 HA ALA 25 -3.129 -15.236 -6.622 173 HB1 ALA 25 1HB ALA 25 -2.203 -17.267 -5.735 174 HB2 ALA 25 2HB ALA 25 -2.217 -16.084 -4.405 175 HB3 ALA 25 3HB ALA 25 -3.454 -17.361 -4.473 176 HA PRO 26 HA PRO 26 -2.549 -16.567 -7.908 177 HB2 PRO 26 1HB PRO 26 -2.797 -16.677 -10.627 178 HB3 PRO 26 2HB PRO 26 -2.482 -18.087 -9.636 179 HG2 PRO 26 1HG PRO 26 -5.000 -17.273 -10.952 180 HG3 PRO 26 2HG PRO 26 -4.546 -18.847 -10.331 181 HD2 PRO 26 1HD PRO 26 -6.323 -16.963 -9.098 182 HD3 PRO 26 2HD PRO 26 -5.777 -18.485 -8.423 183 H CYS 27 H CYS 27 -1.285 -14.795 -8.476 184 HA CYS 27 HA CYS 27 -2.521 -12.683 -9.902 185 HB2 CYS 27 1HB CYS 27 -3.587 -12.471 -7.603 186 HB3 CYS 27 2HB CYS 27 -1.995 -12.090 -6.977 187 HG CYS 27 HG CYS 27 -3.602 -9.944 -7.434 188 HA PRO 28 HA PRO 28 1.926 -12.702 -10.156 189 HB2 PRO 28 1HB PRO 28 2.099 -11.762 -12.716 190 HB3 PRO 28 2HB PRO 28 1.977 -13.466 -12.327 191 HG2 PRO 28 1HG PRO 28 -0.096 -11.659 -13.411 192 HG3 PRO 28 2HG PRO 28 -0.056 -13.411 -13.415 193 HD2 PRO 28 1HD PRO 28 -1.614 -11.734 -11.686 194 HD3 PRO 28 2HD PRO 28 -1.485 -13.480 -11.615 195 H LEU 29 H LEU 29 -0.333 -10.171 -10.528 196 HA LEU 29 HA LEU 29 1.589 -8.098 -10.725 197 HB2 LEU 29 1HB LEU 29 -1.346 -8.211 -10.069 198 HB3 LEU 29 2HB LEU 29 -0.444 -6.710 -9.995 199 HG LEU 29 HG LEU 29 -1.759 -7.229 -12.130 200 HD11 LEU 29 1HD1 LEU 29 -0.117 -6.127 -13.547 201 HD12 LEU 29 2HD1 LEU 29 -0.128 -5.403 -11.921 202 HD13 LEU 29 3HD1 LEU 29 1.176 -6.520 -12.389 203 HD21 LEU 29 1HD2 LEU 29 -0.946 -9.595 -12.286 204 HD22 LEU 29 2HD2 LEU 29 -0.784 -8.647 -13.783 205 HD23 LEU 29 3HD2 LEU 29 0.644 -8.955 -12.765 206 H CYS 30 H CYS 30 -0.498 -9.278 -7.991 207 HA CYS 30 HA CYS 30 0.330 -7.701 -6.017 208 HB2 CYS 30 1HB CYS 30 -0.308 -9.368 -4.479 209 HB3 CYS 30 2HB CYS 30 -1.281 -9.672 -5.905 210 HG CYS 30 HG CYS 30 -0.722 -12.008 -5.430 211 H ASP 31 H ASP 31 2.106 -10.499 -7.449 212 HA ASP 31 HA ASP 31 4.157 -10.626 -5.656 213 HB2 ASP 31 1HB ASP 31 3.589 -11.530 -8.371 214 HB3 ASP 31 2HB ASP 31 5.271 -11.053 -8.254 215 H GLU 32 H GLU 32 4.223 -9.042 -8.949 216 HA GLU 32 HA GLU 32 6.595 -7.744 -8.615 217 HB2 GLU 32 1HB GLU 32 4.809 -7.986 -10.644 218 HB3 GLU 32 2HB GLU 32 4.456 -6.335 -10.174 219 HG2 GLU 32 1HG GLU 32 6.293 -5.641 -11.302 220 HG3 GLU 32 2HG GLU 32 7.301 -6.539 -10.185 221 H ALA 33 H ALA 33 3.239 -6.535 -7.949 222 HA ALA 33 HA ALA 33 3.710 -3.981 -7.265 223 HB1 ALA 33 1HB ALA 33 1.943 -4.738 -5.309 224 HB2 ALA 33 2HB ALA 33 1.499 -4.444 -7.008 225 HB3 ALA 33 3HB ALA 33 1.810 -6.103 -6.443 226 H LYS 34 H LYS 34 3.830 -6.721 -4.869 227 HA LYS 34 HA LYS 34 4.801 -5.324 -2.753 228 HB2 LYS 34 1HB LYS 34 5.451 -8.169 -3.579 229 HB3 LYS 34 2HB LYS 34 5.737 -7.497 -1.986 230 HG2 LYS 34 1HG LYS 34 3.451 -7.355 -1.473 231 HG3 LYS 34 2HG LYS 34 2.969 -7.215 -3.152 232 HD2 LYS 34 1HD LYS 34 2.976 -9.508 -3.500 233 HD3 LYS 34 2HD LYS 34 4.312 -9.784 -2.401 234 HE2 LYS 34 1HE LYS 34 2.075 -8.773 -0.865 235 HE3 LYS 34 2HE LYS 34 1.497 -10.080 -1.879 236 HZ1 LYS 34 1HZ LYS 34 3.205 -11.480 -1.016 237 HZ2 LYS 34 2HZ LYS 34 3.869 -10.262 -0.154 238 HZ3 LYS 34 3HZ LYS 34 2.390 -10.830 0.241 239 H GLU 35 H GLU 35 6.753 -6.955 -5.344 240 HA GLU 35 HA GLU 35 9.203 -6.266 -4.374 241 HB2 GLU 35 1HB GLU 35 8.536 -6.307 -7.340 242 HB3 GLU 35 2HB GLU 35 10.047 -6.755 -6.575 243 HG2 GLU 35 1HG GLU 35 8.187 -8.423 -5.305 244 HG3 GLU 35 2HG GLU 35 7.588 -8.352 -6.950 245 H VAL 36 H VAL 36 6.747 -4.263 -5.913 246 HA VAL 36 HA VAL 36 8.598 -2.158 -6.567 247 HB VAL 36 HB VAL 36 5.585 -2.050 -6.496 248 HG11 VAL 36 1HG1 VAL 36 7.179 0.008 -6.863 249 HG12 VAL 36 2HG1 VAL 36 7.347 -0.670 -8.500 250 HG13 VAL 36 3HG1 VAL 36 5.741 -0.210 -7.889 251 HG21 VAL 36 1HG2 VAL 36 5.440 -3.548 -8.139 252 HG22 VAL 36 2HG2 VAL 36 6.539 -2.569 -9.139 253 HG23 VAL 36 3HG2 VAL 36 7.197 -3.818 -8.056 254 H LEU 37 H LEU 37 6.817 -3.285 -3.797 255 HA LEU 37 HA LEU 37 7.018 -0.647 -2.546 256 HB2 LEU 37 1HB LEU 37 5.489 -3.136 -1.780 257 HB3 LEU 37 2HB LEU 37 5.581 -1.692 -0.791 258 HG LEU 37 HG LEU 37 4.185 -2.096 -3.424 259 HD11 LEU 37 1HD1 LEU 37 3.383 -1.099 -0.688 260 HD12 LEU 37 2HD1 LEU 37 2.356 -0.903 -2.129 261 HD13 LEU 37 3HD1 LEU 37 2.798 -2.533 -1.566 262 HD21 LEU 37 1HD2 LEU 37 4.936 0.589 -2.234 263 HD22 LEU 37 2HD2 LEU 37 5.531 -0.100 -3.764 264 HD23 LEU 37 3HD2 LEU 37 3.812 0.328 -3.590 265 H GLN 38 H GLN 38 8.903 -3.328 -3.066 266 HA GLN 38 HA GLN 38 9.764 -4.162 -0.644 267 HB2 GLN 38 1HB GLN 38 10.753 -4.160 -3.378 268 HB3 GLN 38 2HB GLN 38 12.092 -3.918 -2.274 269 HG2 GLN 38 1HG GLN 38 10.348 -5.958 -1.176 270 HG3 GLN 38 2HG GLN 38 10.695 -6.361 -2.846 271 HE21 GLN 38 1HE2 GLN 38 13.211 -5.231 -3.140 272 HE22 GLN 38 2HE2 GLN 38 14.368 -6.093 -2.182 273 HA PRO 39 HA PRO 39 12.693 -0.430 -0.496 274 HB2 PRO 39 1HB PRO 39 12.402 1.608 -2.293 275 HB3 PRO 39 2HB PRO 39 13.554 0.304 -2.501 276 HG2 PRO 39 1HG PRO 39 10.977 0.737 -3.883 277 HG3 PRO 39 2HG PRO 39 12.318 -0.288 -4.355 278 HD2 PRO 39 1HD PRO 39 9.843 -1.134 -3.178 279 HD3 PRO 39 2HD PRO 39 11.228 -2.143 -3.544 280 H TYR 40 H TYR 40 9.459 -0.535 -0.540 281 HA TYR 40 HA TYR 40 9.310 1.979 0.986 282 HB2 TYR 40 1HB TYR 40 7.265 0.419 -0.715 283 HB3 TYR 40 2HB TYR 40 6.867 1.868 0.187 284 HD1 TYR 40 2HD TYR 40 8.589 0.536 -2.774 285 HD2 TYR 40 1HD TYR 40 7.612 4.074 -0.575 286 HE1 TYR 40 2HE TYR 40 9.244 1.967 -4.771 287 HE2 TYR 40 1HE TYR 40 8.271 5.492 -2.579 288 HH TYR 40 HH TYR 40 9.754 4.032 -5.412 289 H LYS 41 H LYS 41 9.778 -1.133 1.555 290 HA LYS 41 HA LYS 41 7.513 -1.892 3.065 291 HB2 LYS 41 1HB LYS 41 10.366 -2.897 2.944 292 HB3 LYS 41 2HB LYS 41 9.147 -3.621 3.973 293 HG2 LYS 41 1HG LYS 41 7.682 -3.962 1.943 294 HG3 LYS 41 2HG LYS 41 8.966 -3.318 0.938 295 HD2 LYS 41 1HD LYS 41 9.453 -5.585 0.772 296 HD3 LYS 41 2HD LYS 41 10.441 -5.181 2.162 297 HE2 LYS 41 1HE LYS 41 7.708 -5.794 3.010 298 HE3 LYS 41 2HE LYS 41 8.349 -7.106 2.041 299 HZ1 LYS 41 1HZ LYS 41 9.240 -7.658 4.003 300 HZ2 LYS 41 2HZ LYS 41 10.417 -6.608 3.581 301 HZ3 LYS 41 3HZ LYS 41 9.233 -6.140 4.603 302 H ASP 42 H ASP 42 10.784 -0.605 3.975 303 HA ASP 42 HA ASP 42 10.032 -0.408 6.683 304 HB2 ASP 42 1HB ASP 42 12.340 0.714 5.042 305 HB3 ASP 42 2HB ASP 42 12.183 1.054 6.754 306 H ARG 43 H ARG 43 9.410 1.428 3.829 307 HA ARG 43 HA ARG 43 9.554 4.006 4.833 308 HB2 ARG 43 1HB ARG 43 8.150 2.656 2.524 309 HB3 ARG 43 2HB ARG 43 7.657 4.289 2.926 310 HG2 ARG 43 1HG ARG 43 10.585 3.539 2.533 311 HG3 ARG 43 2HG ARG 43 9.566 4.032 1.195 312 HD2 ARG 43 1HD ARG 43 10.403 6.116 1.789 313 HD3 ARG 43 2HD ARG 43 8.995 6.090 2.831 314 HE ARG 43 HE ARG 43 11.382 4.894 4.053 315 HH11 ARG 43 2HH2 ARG 43 9.574 7.869 3.534 316 HH12 ARG 43 1HH2 ARG 43 10.259 8.674 4.906 317 HH21 ARG 43 2HH1 ARG 43 12.285 5.957 5.863 318 HH22 ARG 43 1HH1 ARG 43 11.811 7.580 6.240 319 H PHE 44 H PHE 44 6.916 1.542 4.729 320 HA PHE 44 HA PHE 44 5.585 2.972 6.864 321 HB2 PHE 44 1HB PHE 44 3.397 2.638 5.453 322 HB3 PHE 44 2HB PHE 44 4.455 3.945 4.958 323 HD1 PHE 44 2HD PHE 44 4.199 0.268 4.304 324 HD2 PHE 44 1HD PHE 44 4.720 4.158 2.690 325 HE1 PHE 44 2HE PHE 44 4.324 -0.707 1.995 326 HE2 PHE 44 1HE PHE 44 4.846 3.183 0.380 327 HZ PHE 44 HZ PHE 44 4.646 0.762 0.060 328 H ILE 45 H ILE 45 3.258 1.536 7.085 329 HA ILE 45 HA ILE 45 4.307 -1.153 7.534 330 HB ILE 45 HB ILE 45 1.977 0.354 8.719 331 HG12 ILE 45 1HG1 ILE 45 4.214 -0.735 10.355 332 HG13 ILE 45 2HG1 ILE 45 4.583 0.645 9.340 333 HG21 ILE 45 1HG2 ILE 45 2.486 -1.999 10.190 334 HG22 ILE 45 2HG2 ILE 45 1.039 -1.585 9.241 335 HG23 ILE 45 3HG2 ILE 45 2.374 -2.483 8.481 336 HD11 ILE 45 1HD1 ILE 45 3.191 0.622 11.846 337 HD12 ILE 45 2HD1 ILE 45 3.554 2.022 10.809 338 HD13 ILE 45 3HD1 ILE 45 2.029 1.129 10.596 339 H LEU 46 H LEU 46 4.070 -2.285 5.634 340 HA LEU 46 HA LEU 46 1.745 -1.929 4.016 341 HB2 LEU 46 1HB LEU 46 3.988 -2.425 3.126 342 HB3 LEU 46 2HB LEU 46 3.946 -3.996 3.901 343 HG LEU 46 HG LEU 46 1.947 -4.580 2.512 344 HD11 LEU 46 1HD1 LEU 46 2.293 -1.776 1.656 345 HD12 LEU 46 2HD1 LEU 46 2.000 -2.944 0.345 346 HD13 LEU 46 3HD1 LEU 46 0.841 -2.805 1.689 347 HD21 LEU 46 1HD2 LEU 46 3.734 -4.066 0.335 348 HD22 LEU 46 2HD2 LEU 46 4.684 -4.468 1.786 349 HD23 LEU 46 3HD2 LEU 46 3.427 -5.587 1.207 350 H GLN 47 H GLN 47 -0.210 -2.589 4.750 351 HA GLN 47 HA GLN 47 -0.276 -4.966 6.389 352 HB2 GLN 47 1HB GLN 47 -1.538 -2.665 6.795 353 HB3 GLN 47 2HB GLN 47 -2.716 -3.328 5.681 354 HG2 GLN 47 1HG GLN 47 -2.658 -5.467 7.183 355 HG3 GLN 47 2HG GLN 47 -1.836 -4.464 8.362 356 HE21 GLN 47 1HE2 GLN 47 -3.197 -3.924 9.883 357 HE22 GLN 47 2HE2 GLN 47 -4.811 -3.326 9.686 358 H GLU 48 H GLU 48 -0.103 -6.773 5.062 359 HA GLU 48 HA GLU 48 -1.445 -6.814 2.561 360 HB2 GLU 48 1HB GLU 48 0.458 -8.527 4.055 361 HB3 GLU 48 2HB GLU 48 -0.675 -9.432 3.071 362 HG2 GLU 48 1HG GLU 48 0.252 -8.707 1.103 363 HG3 GLU 48 2HG GLU 48 0.433 -7.061 1.679 364 H VAL 49 H VAL 49 -3.653 -6.969 2.507 365 HA VAL 49 HA VAL 49 -4.954 -8.574 4.564 366 HB VAL 49 HB VAL 49 -5.974 -6.601 2.514 367 HG11 VAL 49 1HG1 VAL 49 -8.072 -6.897 4.163 368 HG12 VAL 49 2HG1 VAL 49 -7.862 -7.867 2.686 369 HG13 VAL 49 3HG1 VAL 49 -7.403 -8.543 4.267 370 HG21 VAL 49 1HG2 VAL 49 -5.182 -6.442 5.373 371 HG22 VAL 49 2HG2 VAL 49 -5.149 -5.200 4.098 372 HG23 VAL 49 3HG2 VAL 49 -6.679 -5.591 4.921 373 H ASP 50 H ASP 50 -5.801 -10.568 4.163 374 HA ASP 50 HA ASP 50 -5.357 -11.607 1.532 375 HB2 ASP 50 1HB ASP 50 -6.106 -12.725 4.234 376 HB3 ASP 50 2HB ASP 50 -6.489 -13.686 2.819 377 H ILE 51 H ILE 51 -6.994 -11.003 0.069 378 HA ILE 51 HA ILE 51 -9.709 -10.758 1.001 379 HB ILE 51 HB ILE 51 -10.146 -10.069 -1.326 380 HG12 ILE 51 1HG1 ILE 51 -7.180 -10.166 -1.846 381 HG13 ILE 51 2HG1 ILE 51 -8.192 -11.552 -2.199 382 HG21 ILE 51 1HG2 ILE 51 -7.776 -8.456 -0.532 383 HG22 ILE 51 2HG2 ILE 51 -9.431 -7.950 -0.945 384 HG23 ILE 51 3HG2 ILE 51 -9.083 -8.632 0.662 385 HD11 ILE 51 1HD1 ILE 51 -8.367 -10.447 -4.229 386 HD12 ILE 51 2HD1 ILE 51 -9.727 -9.676 -3.378 387 HD13 ILE 51 3HD1 ILE 51 -8.159 -8.841 -3.491 388 H THR 52 H THR 52 -7.638 -13.256 -0.125 389 HA THR 52 HA THR 52 -9.625 -14.762 -1.529 390 HB THR 52 HB THR 52 -7.742 -16.551 -1.192 391 HG1 THR 52 1HG THR 52 -6.306 -15.805 0.316 392 HG21 THR 52 1HG2 THR 52 -7.737 -14.081 -2.795 393 HG22 THR 52 2HG2 THR 52 -6.084 -14.594 -2.378 394 HG23 THR 52 3HG2 THR 52 -7.171 -15.707 -3.244 395 H LEU 53 H LEU 53 -9.367 -13.906 1.695 396 HA LEU 53 HA LEU 53 -10.123 -16.473 2.762 397 HB2 LEU 53 1HB LEU 53 -9.688 -13.726 3.900 398 HB3 LEU 53 2HB LEU 53 -10.453 -14.986 4.848 399 HG LEU 53 HG LEU 53 -7.686 -15.149 3.622 400 HD11 LEU 53 1HD1 LEU 53 -7.580 -13.564 5.374 401 HD12 LEU 53 2HD1 LEU 53 -8.619 -14.547 6.432 402 HD13 LEU 53 3HD1 LEU 53 -6.969 -15.093 6.050 403 HD21 LEU 53 1HD2 LEU 53 -8.198 -17.360 3.736 404 HD22 LEU 53 2HD2 LEU 53 -7.674 -17.117 5.419 405 HD23 LEU 53 3HD2 LEU 53 -9.409 -17.135 5.021 406 HA PRO 54 HA PRO 54 -14.391 -15.916 2.472 407 HB2 PRO 54 1HB PRO 54 -15.339 -17.213 4.683 408 HB3 PRO 54 2HB PRO 54 -14.819 -18.047 3.232 409 HG2 PRO 54 1HG PRO 54 -13.429 -17.806 5.830 410 HG3 PRO 54 2HG PRO 54 -13.150 -18.956 4.538 411 HD2 PRO 54 1HD PRO 54 -11.556 -16.654 5.160 412 HD3 PRO 54 2HD PRO 54 -11.345 -17.738 3.800 413 H GLU 55 H GLU 55 -13.020 -14.984 5.540 414 HA GLU 55 HA GLU 55 -15.292 -13.410 6.179 415 HB2 GLU 55 1HB GLU 55 -13.972 -12.698 8.124 416 HB3 GLU 55 2HB GLU 55 -13.855 -14.434 7.922 417 HG2 GLU 55 1HG GLU 55 -11.681 -13.989 6.583 418 HG3 GLU 55 2HG GLU 55 -11.772 -12.340 7.171 419 H ASN 56 H ASN 56 -12.659 -13.059 4.029 420 HA ASN 56 HA ASN 56 -12.900 -10.158 4.189 421 HB2 ASN 56 1HB ASN 56 -10.641 -11.920 3.106 422 HB3 ASN 56 2HB ASN 56 -10.681 -10.181 2.898 423 HD21 ASN 56 1HD2 ASN 56 -8.849 -12.000 4.357 424 HD22 ASN 56 2HD2 ASN 56 -8.749 -11.402 5.979 425 H SER 57 H SER 57 -14.221 -12.722 2.658 426 HA SER 57 HA SER 57 -13.731 -12.583 0.017 427 HB2 SER 57 1HB SER 57 -15.638 -13.784 1.659 428 HB3 SER 57 2HB SER 57 -16.621 -12.767 0.624 429 HG SER 57 HG SER 57 -15.029 -15.024 -0.031 430 H THR 58 H THR 58 -15.433 -10.249 2.074 431 HA THR 58 HA THR 58 -16.796 -8.872 0.017 432 HB THR 58 HB THR 58 -15.965 -8.339 2.892 433 HG1 THR 58 1HG THR 58 -18.409 -8.510 1.272 434 HG21 THR 58 1HG2 THR 58 -17.909 -6.420 2.038 435 HG22 THR 58 2HG2 THR 58 -16.269 -6.089 2.644 436 HG23 THR 58 3HG2 THR 58 -16.548 -6.294 0.898 437 H TRP 59 H TRP 59 -13.559 -8.424 1.549 438 HA TRP 59 HA TRP 59 -12.918 -6.064 0.240 439 HB2 TRP 59 1HB TRP 59 -11.371 -8.281 1.511 440 HB3 TRP 59 2HB TRP 59 -10.507 -7.104 0.540 441 HD1 TRP 59 HD TRP 59 -11.613 -7.590 4.017 442 HE1 TRP 59 1HE TRP 59 -11.516 -5.399 5.485 443 HE3 TRP 59 3HE TRP 59 -11.102 -4.370 0.115 444 HZ2 TRP 59 2HZ TRP 59 -11.242 -2.628 4.863 445 HZ3 TRP 59 3HZ TRP 59 -10.927 -1.938 0.633 446 HH2 TRP 59 HH TRP 59 -10.989 -1.052 2.910 447 H TYR 60 H TYR 60 -13.056 -9.451 -0.817 448 HA TYR 60 HA TYR 60 -11.542 -8.954 -3.214 449 HB2 TYR 60 1HB TYR 60 -11.775 -11.131 -1.791 450 HB3 TYR 60 2HB TYR 60 -13.425 -11.242 -2.372 451 HD1 TYR 60 1HD TYR 60 -13.854 -11.599 -4.833 452 HD2 TYR 60 2HD TYR 60 -9.935 -11.852 -3.135 453 HE1 TYR 60 1HE TYR 60 -13.040 -12.865 -6.882 454 HE2 TYR 60 2HE TYR 60 -9.134 -13.117 -5.189 455 HH TYR 60 HH TYR 60 -11.262 -13.575 -7.967 456 H GLU 61 H GLU 61 -14.984 -9.868 -2.459 457 HA GLU 61 HA GLU 61 -15.923 -9.725 -4.996 458 HB2 GLU 61 1HB GLU 61 -17.286 -9.028 -2.363 459 HB3 GLU 61 2HB GLU 61 -18.158 -9.161 -3.877 460 HG2 GLU 61 1HG GLU 61 -16.363 -11.466 -3.326 461 HG3 GLU 61 2HG GLU 61 -17.640 -11.268 -2.141 462 H ARG 62 H ARG 62 -14.782 -7.136 -2.957 463 HA ARG 62 HA ARG 62 -16.179 -5.184 -4.566 464 HB2 ARG 62 1HB ARG 62 -15.561 -3.566 -2.883 465 HB3 ARG 62 2HB ARG 62 -16.041 -5.008 -2.010 466 HG2 ARG 62 1HG ARG 62 -13.725 -5.654 -1.628 467 HG3 ARG 62 2HG ARG 62 -13.136 -4.430 -2.735 468 HD2 ARG 62 1HD ARG 62 -14.504 -3.951 -0.047 469 HD3 ARG 62 2HD ARG 62 -12.828 -3.626 -0.442 470 HE ARG 62 HE ARG 62 -14.338 -2.166 -2.316 471 HH11 ARG 62 2HH2 ARG 62 -13.981 -2.249 1.184 472 HH12 ARG 62 1HH2 ARG 62 -14.368 -0.574 1.391 473 HH21 ARG 62 2HH1 ARG 62 -14.850 0.045 -2.043 474 HH22 ARG 62 1HH1 ARG 62 -14.866 0.740 -0.456 475 H TYR 63 H TYR 63 -12.981 -6.594 -3.914 476 HA TYR 63 HA TYR 63 -11.910 -5.005 -6.126 477 HB2 TYR 63 1HB TYR 63 -10.763 -5.532 -3.315 478 HB3 TYR 63 2HB TYR 63 -9.778 -4.907 -4.624 479 HD1 TYR 63 2HD TYR 63 -11.571 -2.933 -5.894 480 HD2 TYR 63 1HD TYR 63 -10.934 -3.804 -1.754 481 HE1 TYR 63 2HE TYR 63 -12.268 -0.566 -5.281 482 HE2 TYR 63 1HE TYR 63 -11.633 -1.435 -1.155 483 HH TYR 63 HH TYR 63 -11.686 0.753 -2.240 484 H LYS 64 H LYS 64 -12.447 -7.135 -7.200 485 HA LYS 64 HA LYS 64 -10.413 -9.147 -6.536 486 HB2 LYS 64 1HB LYS 64 -11.920 -10.757 -7.669 487 HB3 LYS 64 2HB LYS 64 -12.628 -10.029 -6.242 488 HG2 LYS 64 1HG LYS 64 -13.317 -8.285 -8.377 489 HG3 LYS 64 2HG LYS 64 -13.535 -9.900 -9.022 490 HD2 LYS 64 1HD LYS 64 -14.897 -10.477 -6.952 491 HD3 LYS 64 2HD LYS 64 -14.772 -8.801 -6.454 492 HE2 LYS 64 1HE LYS 64 -15.809 -8.149 -8.706 493 HE3 LYS 64 2HE LYS 64 -16.098 -9.853 -8.995 494 HZ1 LYS 64 1HZ LYS 64 -17.217 -9.753 -6.714 495 HZ2 LYS 64 2HZ LYS 64 -17.277 -8.139 -6.955 496 HZ3 LYS 64 3HZ LYS 64 -18.018 -9.149 -8.002 497 H PHE 65 H PHE 65 -11.882 -7.086 -9.056 498 HA PHE 65 HA PHE 65 -9.857 -8.075 -10.927 499 HB2 PHE 65 1HB PHE 65 -12.241 -6.232 -11.472 500 HB3 PHE 65 2HB PHE 65 -11.405 -7.249 -12.628 501 HD1 PHE 65 1HD PHE 65 -11.422 -9.873 -11.763 502 HD2 PHE 65 2HD PHE 65 -14.370 -6.925 -10.971 503 HE1 PHE 65 1HE PHE 65 -13.132 -11.677 -11.412 504 HE2 PHE 65 2HE PHE 65 -16.080 -8.729 -10.621 505 HZ PHE 65 HZ PHE 65 -15.440 -11.083 -10.845 506 H ASP 66 H ASP 66 -9.846 -5.908 -8.582 507 HA ASP 66 HA ASP 66 -8.862 -3.748 -10.269 508 HB2 ASP 66 1HB ASP 66 -9.333 -3.435 -7.304 509 HB3 ASP 66 2HB ASP 66 -9.444 -2.225 -8.566 510 H ILE 67 H ILE 67 -8.308 -5.704 -7.263 511 HA ILE 67 HA ILE 67 -6.033 -4.765 -6.274 512 HB ILE 67 HB ILE 67 -5.404 -7.233 -5.913 513 HG12 ILE 67 1HG1 ILE 67 -7.973 -7.505 -7.466 514 HG13 ILE 67 2HG1 ILE 67 -6.455 -8.350 -7.695 515 HG21 ILE 67 1HG2 ILE 67 -8.158 -6.424 -4.974 516 HG22 ILE 67 2HG2 ILE 67 -6.936 -7.405 -4.129 517 HG23 ILE 67 3HG2 ILE 67 -6.668 -5.662 -4.368 518 HD11 ILE 67 1HD1 ILE 67 -7.668 -9.995 -6.582 519 HD12 ILE 67 2HD1 ILE 67 -6.912 -9.182 -5.191 520 HD13 ILE 67 3HD1 ILE 67 -8.597 -8.812 -5.629 521 HA PRO 68 HA PRO 68 -4.237 -5.727 -5.538 522 HB2 PRO 68 1HB PRO 68 -1.769 -4.602 -5.208 523 HB3 PRO 68 2HB PRO 68 -2.020 -6.327 -5.381 524 HG2 PRO 68 1HG PRO 68 -0.966 -4.401 -7.360 525 HG3 PRO 68 2HG PRO 68 -0.832 -6.148 -7.349 526 HD2 PRO 68 1HD PRO 68 -2.596 -4.573 -8.971 527 HD3 PRO 68 2HD PRO 68 -2.542 -6.322 -8.876 528 H VAL 69 H VAL 69 -5.188 -4.369 -4.141 529 HA VAL 69 HA VAL 69 -5.279 -1.606 -5.091 530 HB VAL 69 HB VAL 69 -6.973 -3.127 -3.100 531 HG11 VAL 69 1HG1 VAL 69 -6.807 -0.738 -2.526 532 HG12 VAL 69 2HG1 VAL 69 -7.320 -0.307 -4.176 533 HG13 VAL 69 3HG1 VAL 69 -8.440 -1.166 -3.091 534 HG21 VAL 69 1HG2 VAL 69 -8.098 -3.870 -4.875 535 HG22 VAL 69 2HG2 VAL 69 -8.499 -2.187 -5.292 536 HG23 VAL 69 3HG2 VAL 69 -7.043 -2.950 -5.975 537 H PHE 70 H PHE 70 -4.552 0.121 -3.836 538 HA PHE 70 HA PHE 70 -3.208 -0.667 -1.346 539 HB2 PHE 70 1HB PHE 70 -2.481 1.418 -3.492 540 HB3 PHE 70 2HB PHE 70 -1.571 1.181 -2.013 541 HD1 PHE 70 2HD PHE 70 -2.426 -0.285 -5.270 542 HD2 PHE 70 1HD PHE 70 -0.063 -0.678 -1.767 543 HE1 PHE 70 2HE PHE 70 -1.019 -2.020 -6.414 544 HE2 PHE 70 1HE PHE 70 1.344 -2.412 -2.912 545 HZ PHE 70 HZ PHE 70 0.850 -3.062 -5.221 546 H HIS 71 H HIS 71 -4.019 0.331 0.432 547 HA HIS 71 HA HIS 71 -5.390 2.881 -0.025 548 HB2 HIS 71 1HB HIS 71 -5.972 0.730 2.030 549 HB3 HIS 71 2HB HIS 71 -6.756 2.297 1.974 550 HD1 HIS 71 1HD HIS 71 -8.756 0.219 1.759 551 HD2 HIS 71 2HD HIS 71 -6.564 1.378 -1.624 552 HE1 HIS 71 1HE HIS 71 -10.126 -0.513 -0.266 553 H LEU 72 H LEU 72 -4.323 4.608 0.786 554 HA LEU 72 HA LEU 72 -2.422 4.083 2.956 555 HB2 LEU 72 1HB LEU 72 -2.115 5.354 0.499 556 HB3 LEU 72 2HB LEU 72 -2.230 6.673 1.647 557 HG LEU 72 HG LEU 72 -0.188 4.456 1.537 558 HD11 LEU 72 1HD1 LEU 72 1.178 6.761 1.910 559 HD12 LEU 72 2HD1 LEU 72 0.768 6.088 0.314 560 HD13 LEU 72 3HD1 LEU 72 -0.242 7.369 1.026 561 HD21 LEU 72 1HD2 LEU 72 0.630 5.871 3.686 562 HD22 LEU 72 2HD2 LEU 72 -1.134 5.954 3.909 563 HD23 LEU 72 3HD2 LEU 72 -0.326 4.373 3.785 564 H ASN 73 H ASN 73 -2.910 4.781 4.965 565 HA ASN 73 HA ASN 73 -3.856 5.849 6.597 566 HB2 ASN 73 1HB ASN 73 -4.005 7.928 4.419 567 HB3 ASN 73 2HB ASN 73 -4.989 8.215 5.840 568 HD21 ASN 73 1HD2 ASN 73 -1.776 7.873 4.558 569 HD22 ASN 73 2HD2 ASN 73 -0.892 8.486 5.916 570 H GLY 74 H GLY 74 -5.401 3.865 5.334 571 HA2 GLY 74 1HA GLY 74 -7.493 3.083 5.092 572 HA3 GLY 74 2HA GLY 74 -7.979 4.328 6.225 573 H GLN 75 H GLN 75 -6.538 4.739 2.931 574 HA GLN 75 HA GLN 75 -9.088 5.469 1.874 575 HB2 GLN 75 1HB GLN 75 -7.161 7.506 2.796 576 HB3 GLN 75 2HB GLN 75 -7.611 7.717 1.116 577 HG2 GLN 75 1HG GLN 75 -9.759 8.325 1.634 578 HG3 GLN 75 2HG GLN 75 -9.921 7.082 2.858 579 HE21 GLN 75 1HE2 GLN 75 -11.076 9.047 3.771 580 HE22 GLN 75 2HE2 GLN 75 -10.169 10.080 4.826 581 H PHE 76 H PHE 76 -9.129 4.602 -0.152 582 HA PHE 76 HA PHE 76 -7.171 3.264 -1.356 583 HB2 PHE 76 1HB PHE 76 -9.264 3.180 -2.450 584 HB3 PHE 76 2HB PHE 76 -9.561 4.890 -2.208 585 HD1 PHE 76 1HD PHE 76 -7.128 2.762 -4.094 586 HD2 PHE 76 2HD PHE 76 -9.665 6.165 -4.114 587 HE1 PHE 76 1HE PHE 76 -6.510 3.209 -6.485 588 HE2 PHE 76 2HE PHE 76 -9.046 6.611 -6.506 589 HZ PHE 76 HZ PHE 76 -7.476 5.128 -7.663 590 H LEU 77 H LEU 77 -5.067 3.852 -1.678 591 HA LEU 77 HA LEU 77 -4.476 6.588 -2.397 592 HB2 LEU 77 1HB LEU 77 -2.682 6.161 -1.203 593 HB3 LEU 77 2HB LEU 77 -3.172 4.489 -1.014 594 HG LEU 77 HG LEU 77 -2.073 4.151 -3.361 595 HD11 LEU 77 1HD1 LEU 77 -1.684 6.402 -4.012 596 HD12 LEU 77 2HD1 LEU 77 -0.858 6.778 -2.481 597 HD13 LEU 77 3HD1 LEU 77 -0.094 5.684 -3.659 598 HD21 LEU 77 1HD2 LEU 77 -1.115 3.999 -0.663 599 HD22 LEU 77 2HD2 LEU 77 -0.713 2.977 -2.064 600 HD23 LEU 77 3HD2 LEU 77 0.229 4.452 -1.739 601 H MET 78 H MET 78 -4.279 3.271 -3.806 602 HA MET 78 HA MET 78 -4.775 4.220 -6.361 603 HB2 MET 78 1HB MET 78 -2.606 4.085 -7.421 604 HB3 MET 78 2HB MET 78 -2.335 5.021 -5.965 605 HG2 MET 78 1HG MET 78 -1.670 2.833 -4.797 606 HG3 MET 78 2HG MET 78 -1.738 2.053 -6.364 607 HE1 MET 78 1HE MET 78 2.073 2.581 -5.422 608 HE2 MET 78 2HE MET 78 0.946 2.980 -4.103 609 HE3 MET 78 3HE MET 78 0.642 1.562 -5.135 610 H MET 79 H MET 79 -5.022 2.468 -7.897 611 HA MET 79 HA MET 79 -4.334 -0.155 -6.908 612 HB2 MET 79 1HB MET 79 -6.665 -0.979 -7.263 613 HB3 MET 79 2HB MET 79 -6.651 0.302 -6.066 614 HG2 MET 79 1HG MET 79 -7.431 1.945 -7.697 615 HG3 MET 79 2HG MET 79 -7.205 0.823 -9.023 616 HE1 MET 79 1HE MET 79 -10.244 2.373 -7.591 617 HE2 MET 79 2HE MET 79 -10.675 1.303 -6.235 618 HE3 MET 79 3HE MET 79 -9.102 2.135 -6.246 619 H HIS 80 H HIS 80 -4.737 -1.880 -8.646 620 HA HIS 80 HA HIS 80 -4.866 -2.560 -10.771 621 HB2 HIS 80 1HB HIS 80 -4.785 0.292 -11.763 622 HB3 HIS 80 2HB HIS 80 -5.318 -1.138 -12.625 623 HD1 HIS 80 1HD HIS 80 -6.982 1.590 -11.883 624 HD2 HIS 80 2HD HIS 80 -7.408 -2.229 -10.200 625 HE1 HIS 80 1HE HIS 80 -9.344 1.491 -10.923 626 H ARG 81 H ARG 81 -2.532 -1.212 -9.019 627 HA ARG 81 HA ARG 81 -0.461 -2.367 -10.156 628 HB2 ARG 81 1HB ARG 81 0.720 -0.366 -11.355 629 HB3 ARG 81 2HB ARG 81 -0.518 -1.231 -12.244 630 HG2 ARG 81 1HG ARG 81 -2.054 0.662 -10.958 631 HG3 ARG 81 2HG ARG 81 -0.555 1.549 -11.155 632 HD2 ARG 81 1HD ARG 81 -0.920 1.825 -13.385 633 HD3 ARG 81 2HD ARG 81 -1.183 0.108 -13.618 634 HE ARG 81 HE ARG 81 -3.456 0.582 -13.739 635 HH11 ARG 81 2HH2 ARG 81 -1.944 2.972 -11.646 636 HH12 ARG 81 1HH2 ARG 81 -3.418 3.831 -11.346 637 HH21 ARG 81 2HH1 ARG 81 -5.402 1.714 -13.344 638 HH22 ARG 81 1HH1 ARG 81 -5.398 3.110 -12.318 639 H VAL 82 H VAL 82 1.746 -0.723 -9.782 640 HA VAL 82 HA VAL 82 1.220 0.554 -7.188 641 HB VAL 82 HB VAL 82 3.709 -0.993 -7.907 642 HG11 VAL 82 1HG1 VAL 82 3.374 0.834 -5.950 643 HG12 VAL 82 2HG1 VAL 82 2.802 -0.621 -5.099 644 HG13 VAL 82 3HG1 VAL 82 4.440 -0.583 -5.795 645 HG21 VAL 82 1HG2 VAL 82 2.275 -2.776 -7.898 646 HG22 VAL 82 2HG2 VAL 82 2.563 -2.639 -6.147 647 HG23 VAL 82 3HG2 VAL 82 1.081 -1.959 -6.862 648 H ASN 83 H ASN 83 1.003 2.577 -8.372 649 HA ASN 83 HA ASN 83 3.208 3.416 -9.954 650 HB2 ASN 83 1HB ASN 83 0.517 4.443 -9.194 651 HB3 ASN 83 2HB ASN 83 1.715 5.709 -9.377 652 HD21 ASN 83 1HD2 ASN 83 1.674 6.582 -11.290 653 HD22 ASN 83 2HD2 ASN 83 1.424 5.789 -12.809 654 H THR 84 H THR 84 4.897 3.146 -8.204 655 HA THR 84 HA THR 84 4.985 4.153 -5.734 656 HB THR 84 HB THR 84 7.462 4.548 -6.248 657 HG1 THR 84 1HG THR 84 7.859 4.857 -8.404 658 HG21 THR 84 1HG2 THR 84 7.934 2.276 -6.532 659 HG22 THR 84 2HG2 THR 84 6.215 2.145 -6.089 660 HG23 THR 84 3HG2 THR 84 6.701 2.078 -7.800 661 H SER 85 H SER 85 5.484 6.135 -8.719 662 HA SER 85 HA SER 85 6.149 8.468 -7.660 663 HB2 SER 85 1HB SER 85 4.347 7.718 -9.950 664 HB3 SER 85 2HB SER 85 4.420 9.410 -9.498 665 HG SER 85 HG SER 85 6.841 7.900 -9.881 666 H LYS 86 H LYS 86 2.765 7.175 -7.894 667 HA LYS 86 HA LYS 86 1.573 9.394 -6.654 668 HB2 LYS 86 1HB LYS 86 0.693 7.186 -8.010 669 HB3 LYS 86 2HB LYS 86 0.238 6.774 -6.368 670 HG2 LYS 86 1HG LYS 86 -1.341 8.441 -6.239 671 HG3 LYS 86 2HG LYS 86 -0.349 9.595 -7.107 672 HD2 LYS 86 1HD LYS 86 -1.929 9.250 -8.753 673 HD3 LYS 86 2HD LYS 86 -0.869 7.918 -9.166 674 HE2 LYS 86 1HE LYS 86 -2.537 6.879 -7.128 675 HE3 LYS 86 2HE LYS 86 -3.611 7.848 -8.117 676 HZ1 LYS 86 1HZ LYS 86 -2.203 6.581 -9.967 677 HZ2 LYS 86 2HZ LYS 86 -2.203 5.447 -8.792 678 HZ3 LYS 86 3HZ LYS 86 -3.617 6.024 -9.370 679 H LEU 87 H LEU 87 2.441 6.106 -5.369 680 HA LEU 87 HA LEU 87 1.691 6.482 -2.784 681 HB2 LEU 87 1HB LEU 87 2.336 4.353 -3.287 682 HB3 LEU 87 2HB LEU 87 3.768 4.858 -4.162 683 HG LEU 87 HG LEU 87 4.883 5.401 -2.020 684 HD11 LEU 87 1HD1 LEU 87 3.952 5.042 0.082 685 HD12 LEU 87 2HD1 LEU 87 2.621 5.786 -0.836 686 HD13 LEU 87 3HD1 LEU 87 2.637 4.028 -0.560 687 HD21 LEU 87 1HD2 LEU 87 5.495 3.212 -1.508 688 HD22 LEU 87 2HD2 LEU 87 3.870 2.570 -1.848 689 HD23 LEU 87 3HD2 LEU 87 4.915 3.104 -3.187 690 H GLU 88 H GLU 88 5.081 7.003 -4.001 691 HA GLU 88 HA GLU 88 6.143 8.088 -1.825 692 HB2 GLU 88 1HB GLU 88 6.598 9.277 -4.591 693 HB3 GLU 88 2HB GLU 88 7.744 9.204 -3.267 694 HG2 GLU 88 1HG GLU 88 6.932 6.518 -3.647 695 HG3 GLU 88 2HG GLU 88 7.092 7.160 -5.270 696 H LYS 89 H LYS 89 4.314 9.947 -4.358 697 HA LYS 89 HA LYS 89 4.508 12.443 -3.335 698 HB2 LYS 89 1HB LYS 89 3.250 11.433 -5.421 699 HB3 LYS 89 2HB LYS 89 1.855 11.484 -4.363 700 HG2 LYS 89 1HG LYS 89 3.643 13.922 -4.632 701 HG3 LYS 89 2HG LYS 89 2.431 13.586 -5.853 702 HD2 LYS 89 1HD LYS 89 1.297 13.307 -3.164 703 HD3 LYS 89 2HD LYS 89 2.030 14.886 -3.365 704 HE2 LYS 89 1HE LYS 89 0.667 14.513 -5.789 705 HE3 LYS 89 2HE LYS 89 -0.409 13.780 -4.616 706 HZ1 LYS 89 1HZ LYS 89 0.218 15.980 -3.341 707 HZ2 LYS 89 2HZ LYS 89 0.401 16.532 -4.866 708 HZ3 LYS 89 3HZ LYS 89 -1.030 15.906 -4.392 709 H GLN 90 H GLN 90 2.009 9.968 -2.427 710 HA GLN 90 HA GLN 90 0.803 11.537 -0.515 711 HB2 GLN 90 1HB GLN 90 1.056 8.502 -0.681 712 HB3 GLN 90 2HB GLN 90 -0.049 9.337 0.393 713 HG2 GLN 90 1HG GLN 90 -0.031 9.610 -2.651 714 HG3 GLN 90 2HG GLN 90 -1.147 8.611 -1.742 715 HE21 GLN 90 1HE2 GLN 90 -0.315 11.764 -2.799 716 HE22 GLN 90 2HE2 GLN 90 -1.656 12.640 -2.139 717 H LEU 91 H LEU 91 3.332 8.953 -0.115 718 HA LEU 91 HA LEU 91 3.685 8.968 2.536 719 HB2 LEU 91 1HB LEU 91 5.620 8.766 0.257 720 HB3 LEU 91 2HB LEU 91 6.209 8.727 1.907 721 HG LEU 91 HG LEU 91 4.040 6.853 0.956 722 HD11 LEU 91 1HD1 LEU 91 5.891 5.161 0.676 723 HD12 LEU 91 2HD1 LEU 91 5.803 6.426 -0.573 724 HD13 LEU 91 3HD1 LEU 91 7.036 6.524 0.708 725 HD21 LEU 91 1HD2 LEU 91 5.834 5.794 2.936 726 HD22 LEU 91 2HD2 LEU 91 5.211 7.373 3.471 727 HD23 LEU 91 3HD2 LEU 91 4.079 6.073 3.031 728 H ARG 92 H ARG 92 5.287 11.314 0.268 729 HA ARG 92 HA ARG 92 6.658 12.764 2.008 730 HB2 ARG 92 1HB ARG 92 5.034 13.570 -0.426 731 HB3 ARG 92 2HB ARG 92 5.876 14.808 0.485 732 HG2 ARG 92 1HG ARG 92 7.995 13.992 -0.077 733 HG3 ARG 92 2HG ARG 92 7.437 12.339 -0.248 734 HD2 ARG 92 1HD ARG 92 7.940 13.167 -2.475 735 HD3 ARG 92 2HD ARG 92 6.198 13.028 -2.354 736 HE ARG 92 HE ARG 92 6.015 15.360 -2.518 737 HH11 ARG 92 2HH2 ARG 92 9.343 14.504 -1.762 738 HH12 ARG 92 1HH2 ARG 92 9.942 16.114 -1.980 739 HH21 ARG 92 2HH1 ARG 92 6.804 17.485 -2.807 740 HH22 ARG 92 1HH1 ARG 92 8.488 17.822 -2.578 741 H LYS 93 H LYS 93 3.197 13.459 1.090 742 HA LYS 93 HA LYS 93 2.814 14.508 3.794 743 HB2 LYS 93 1HB LYS 93 2.072 16.555 3.137 744 HB3 LYS 93 2HB LYS 93 3.231 16.270 1.853 745 HG2 LYS 93 1HG LYS 93 1.197 15.148 0.595 746 HG3 LYS 93 2HG LYS 93 0.209 16.015 1.753 747 HD2 LYS 93 1HD LYS 93 2.162 17.878 0.782 748 HD3 LYS 93 2HD LYS 93 1.535 17.033 -0.619 749 HE2 LYS 93 1HE LYS 93 -0.748 17.654 -0.097 750 HE3 LYS 93 2HE LYS 93 -0.309 18.198 1.510 751 HZ1 LYS 93 1HZ LYS 93 -0.118 19.581 -0.956 752 HZ2 LYS 93 2HZ LYS 93 -0.116 20.172 0.566 753 HZ3 LYS 93 3HZ LYS 93 1.277 19.653 -0.110 754 H LEU 94 H LEU 94 1.008 13.709 4.763 755 HA LEU 94 HA LEU 94 -1.144 12.752 3.062 756 HB2 LEU 94 1HB LEU 94 0.739 11.034 4.499 757 HB3 LEU 94 2HB LEU 94 -0.934 10.725 4.919 758 HG LEU 94 HG LEU 94 0.216 10.690 2.115 759 HD11 LEU 94 1HD1 LEU 94 0.907 8.638 2.609 760 HD12 LEU 94 2HD1 LEU 94 0.115 8.686 4.203 761 HD13 LEU 94 3HD1 LEU 94 -0.803 8.169 2.769 762 HD21 LEU 94 1HD2 LEU 94 -2.135 9.453 1.834 763 HD22 LEU 94 2HD2 LEU 94 -2.567 10.561 3.159 764 HD23 LEU 94 3HD2 LEU 94 -1.938 11.210 1.625 765 H SER 95 H SER 95 -0.035 12.653 6.527 766 HA SER 95 HA SER 95 -2.683 13.434 7.300 767 HB2 SER 95 1HB SER 95 -1.718 11.768 8.699 768 HB3 SER 95 2HB SER 95 -0.176 12.596 8.785 769 HG SER 95 HG SER 95 -2.460 13.980 9.784 770 H GLY 96 H GLY 96 0.717 14.643 7.800 771 HA2 GLY 96 1HA GLY 96 1.471 16.794 7.717 772 HA3 GLY 96 2HA GLY 96 -0.164 17.375 7.470 773 HA PRO 97 HA PRO 97 1.086 18.093 11.843 774 HB2 PRO 97 1HB PRO 97 1.384 20.809 11.808 775 HB3 PRO 97 2HB PRO 97 2.729 19.696 11.656 776 HG2 PRO 97 1HG PRO 97 1.428 21.326 9.562 777 HG3 PRO 97 2HG PRO 97 3.001 20.553 9.533 778 HD2 PRO 97 1HD PRO 97 0.619 19.649 8.214 779 HD3 PRO 97 2HD PRO 97 2.160 18.817 8.281 780 H SER 98 H SER 98 -1.038 17.272 12.182 781 HA SER 98 HA SER 98 -3.190 17.462 12.549 782 HB2 SER 98 1HB SER 98 -1.836 18.803 14.462 783 HB3 SER 98 2HB SER 98 -2.801 20.138 13.864 784 HG SER 98 HG SER 98 -4.617 18.320 14.076 785 H SER 99 H SER 99 -3.903 17.769 10.327 786 HA SER 99 HA SER 99 -3.919 20.138 8.997 787 HB2 SER 99 1HB SER 99 -4.602 17.714 8.264 788 HB3 SER 99 2HB SER 99 -6.216 18.169 8.775 789 HG SER 99 HG SER 99 -4.633 19.216 6.629 790 H GLY 100 H GLY 100 -5.440 21.875 8.760 791 HA2 GLY 100 1HA GLY 100 -7.696 21.898 10.650 792 HA3 GLY 100 2HA GLY 100 -6.510 23.186 10.701 Start of MODEL 18 1 H1 GLY 1 H GLY 1 38.082 5.248 7.362 2 HA2 GLY 1 1HA GLY 1 40.211 5.612 9.177 3 HA3 GLY 1 2HA GLY 1 40.382 6.749 7.854 4 H SER 2 H SER 2 37.863 5.446 10.127 5 HA SER 2 HA SER 2 36.823 8.170 10.227 6 HB2 SER 2 1HB SER 2 35.146 6.879 9.113 7 HB3 SER 2 2HB SER 2 35.360 5.511 10.186 8 HG SER 2 HG SER 2 33.638 6.377 11.158 9 H SER 3 H SER 3 37.842 8.867 12.128 10 HA SER 3 HA SER 3 37.599 7.090 14.414 11 HB2 SER 3 1HB SER 3 39.602 9.053 13.505 12 HB3 SER 3 2HB SER 3 39.168 9.281 15.188 13 HG SER 3 HG SER 3 40.653 7.731 15.453 14 H GLY 4 H GLY 4 35.470 7.493 15.137 15 HA2 GLY 4 1HA GLY 4 34.828 9.317 16.928 16 HA3 GLY 4 2HA GLY 4 34.611 10.265 15.470 17 H SER 5 H SER 5 32.619 9.231 17.515 18 HA SER 5 HA SER 5 30.568 8.708 15.778 19 HB2 SER 5 1HB SER 5 32.061 6.427 15.903 20 HB3 SER 5 2HB SER 5 30.993 6.146 17.263 21 HG SER 5 HG SER 5 30.278 5.402 15.031 22 H SER 6 H SER 6 29.423 10.143 17.115 23 HA SER 6 HA SER 6 28.190 9.047 19.347 24 HB2 SER 6 1HB SER 6 30.678 9.831 20.088 25 HB3 SER 6 2HB SER 6 29.856 11.368 20.264 26 HG SER 6 HG SER 6 29.886 9.401 22.030 27 H GLY 7 H GLY 7 26.624 10.648 20.335 28 HA2 GLY 7 1HA GLY 7 26.268 13.256 19.754 29 HA3 GLY 7 2HA GLY 7 25.689 12.473 18.296 30 H ASN 8 H ASN 8 24.451 13.907 20.855 31 HA ASN 8 HA ASN 8 22.480 11.812 21.332 32 HB2 ASN 8 1HB ASN 8 23.564 14.047 23.089 33 HB3 ASN 8 2HB ASN 8 21.967 13.398 23.407 34 HD21 ASN 8 1HD2 ASN 8 22.452 12.460 25.327 35 HD22 ASN 8 2HD2 ASN 8 23.482 11.081 25.518 36 H LEU 9 H LEU 9 20.688 12.286 20.038 37 HA LEU 9 HA LEU 9 19.311 14.720 20.378 38 HB2 LEU 9 1HB LEU 9 21.380 15.031 18.647 39 HB3 LEU 9 2HB LEU 9 20.114 14.529 17.545 40 HG LEU 9 HG LEU 9 18.954 16.497 19.215 41 HD11 LEU 9 1HD1 LEU 9 21.631 16.902 19.435 42 HD12 LEU 9 2HD1 LEU 9 21.256 17.892 18.003 43 HD13 LEU 9 3HD1 LEU 9 20.402 18.185 19.537 44 HD21 LEU 9 1HD2 LEU 9 18.291 17.394 17.245 45 HD22 LEU 9 2HD2 LEU 9 19.906 17.262 16.507 46 HD23 LEU 9 3HD2 LEU 9 18.859 15.827 16.619 47 H SER 10 H SER 10 17.353 13.771 20.614 48 HA SER 10 HA SER 10 16.346 12.336 18.355 49 HB2 SER 10 1HB SER 10 17.273 10.942 20.749 50 HB3 SER 10 2HB SER 10 15.553 10.689 20.526 51 HG SER 10 HG SER 10 17.731 9.943 18.833 52 H ALA 11 H ALA 11 13.904 11.738 18.826 53 HA ALA 11 HA ALA 11 12.722 13.412 20.875 54 HB1 ALA 11 1HB ALA 11 11.393 13.857 18.309 55 HB2 ALA 11 2HB ALA 11 11.953 15.038 19.518 56 HB3 ALA 11 3HB ALA 11 13.081 14.422 18.287 57 H SER 12 H SER 12 10.673 12.654 21.517 58 HA SER 12 HA SER 12 10.152 9.988 20.637 59 HB2 SER 12 1HB SER 12 8.498 9.952 22.460 60 HB3 SER 12 2HB SER 12 10.026 10.587 23.036 61 HG SER 12 HG SER 12 9.172 12.580 23.291 62 H ASN 13 H ASN 13 9.567 10.586 18.370 63 HA ASN 13 HA ASN 13 6.781 10.816 18.134 64 HB2 ASN 13 1HB ASN 13 8.112 13.298 18.224 65 HB3 ASN 13 2HB ASN 13 7.944 13.002 16.505 66 HD21 ASN 13 1HD2 ASN 13 6.403 14.449 16.034 67 HD22 ASN 13 2HD2 ASN 13 4.780 14.422 16.638 68 H ARG 14 H ARG 14 6.720 9.089 16.662 69 HA ARG 14 HA ARG 14 7.692 9.518 14.082 70 HB2 ARG 14 1HB ARG 14 9.487 8.140 15.937 71 HB3 ARG 14 2HB ARG 14 9.022 7.055 14.643 72 HG2 ARG 14 1HG ARG 14 10.173 8.243 13.050 73 HG3 ARG 14 2HG ARG 14 9.690 9.793 13.708 74 HD2 ARG 14 1HD ARG 14 11.361 9.475 15.583 75 HD3 ARG 14 2HD ARG 14 11.882 7.981 14.830 76 HE ARG 14 HE ARG 14 12.484 10.702 13.918 77 HH11 ARG 14 2HH2 ARG 14 12.276 7.320 12.970 78 HH12 ARG 14 1HH2 ARG 14 13.359 7.497 11.629 79 HH21 ARG 14 2HH1 ARG 14 13.912 10.936 12.150 80 HH22 ARG 14 1HH1 ARG 14 14.295 9.568 11.159 81 H ALA 15 H ALA 15 5.789 8.802 13.139 82 HA ALA 15 HA ALA 15 5.035 6.035 13.675 83 HB1 ALA 15 1HB ALA 15 2.601 6.859 13.695 84 HB2 ALA 15 2HB ALA 15 3.563 7.174 15.158 85 HB3 ALA 15 3HB ALA 15 3.268 8.482 13.988 86 H LEU 16 H LEU 16 4.838 4.976 11.766 87 HA LEU 16 HA LEU 16 4.700 6.605 9.361 88 HB2 LEU 16 1HB LEU 16 5.207 3.646 9.699 89 HB3 LEU 16 2HB LEU 16 5.339 4.559 8.209 90 HG LEU 16 HG LEU 16 7.054 5.010 10.667 91 HD11 LEU 16 1HD1 LEU 16 8.166 3.189 10.044 92 HD12 LEU 16 2HD1 LEU 16 7.233 3.044 8.534 93 HD13 LEU 16 3HD1 LEU 16 8.671 4.092 8.595 94 HD21 LEU 16 1HD2 LEU 16 7.241 6.164 7.871 95 HD22 LEU 16 2HD2 LEU 16 6.807 7.037 9.360 96 HD23 LEU 16 3HD2 LEU 16 8.448 6.377 9.163 97 HA PRO 17 HA PRO 17 0.587 5.581 8.558 98 HB2 PRO 17 1HB PRO 17 0.485 5.614 5.828 99 HB3 PRO 17 2HB PRO 17 0.466 7.068 6.805 100 HG2 PRO 17 1HG PRO 17 2.679 5.942 5.201 101 HG3 PRO 17 2HG PRO 17 2.493 7.569 5.825 102 HD2 PRO 17 1HD PRO 17 4.191 5.512 6.879 103 HD3 PRO 17 2HD PRO 17 3.916 7.099 7.568 104 H VAL 18 H VAL 18 -1.018 4.082 7.535 105 HA VAL 18 HA VAL 18 0.321 1.476 7.350 106 HB VAL 18 HB VAL 18 -2.466 2.238 8.242 107 HG11 VAL 18 1HG1 VAL 18 -2.472 0.102 7.015 108 HG12 VAL 18 2HG1 VAL 18 -1.190 -0.515 8.085 109 HG13 VAL 18 3HG1 VAL 18 -2.797 -0.134 8.749 110 HG21 VAL 18 1HG2 VAL 18 0.076 1.560 9.662 111 HG22 VAL 18 2HG2 VAL 18 -1.211 2.709 10.099 112 HG23 VAL 18 3HG2 VAL 18 -1.452 0.964 10.353 113 H LEU 19 H LEU 19 0.458 0.662 5.330 114 HA LEU 19 HA LEU 19 -1.495 1.635 3.376 115 HB2 LEU 19 1HB LEU 19 0.837 2.096 2.876 116 HB3 LEU 19 2HB LEU 19 1.239 0.397 3.030 117 HG LEU 19 HG LEU 19 -0.615 0.164 1.117 118 HD11 LEU 19 1HD1 LEU 19 -0.765 1.969 -0.371 119 HD12 LEU 19 2HD1 LEU 19 -0.985 2.694 1.239 120 HD13 LEU 19 3HD1 LEU 19 0.580 2.841 0.404 121 HD21 LEU 19 1HD2 LEU 19 2.172 0.044 1.275 122 HD22 LEU 19 2HD2 LEU 19 1.135 -0.579 -0.031 123 HD23 LEU 19 3HD2 LEU 19 1.835 1.053 -0.152 124 H THR 20 H THR 20 -3.223 0.336 3.098 125 HA THR 20 HA THR 20 -3.066 -2.438 3.850 126 HB THR 20 HB THR 20 -5.409 -1.202 2.398 127 HG1 THR 20 1HG THR 20 -4.296 -0.591 5.043 128 HG21 THR 20 1HG2 THR 20 -6.435 -2.160 4.666 129 HG22 THR 20 2HG2 THR 20 -6.018 -3.281 3.347 130 HG23 THR 20 3HG2 THR 20 -4.912 -3.080 4.728 131 H LEU 21 H LEU 21 -2.212 -3.978 2.614 132 HA LEU 21 HA LEU 21 -2.407 -3.587 -0.289 133 HB2 LEU 21 1HB LEU 21 -0.159 -3.627 0.162 134 HB3 LEU 21 2HB LEU 21 -0.321 -4.751 1.497 135 HG LEU 21 HG LEU 21 -0.690 -6.603 -0.050 136 HD11 LEU 21 1HD1 LEU 21 -1.693 -6.049 -1.981 137 HD12 LEU 21 2HD1 LEU 21 -0.981 -4.418 -2.009 138 HD13 LEU 21 3HD1 LEU 21 -0.028 -5.814 -2.568 139 HD21 LEU 21 1HD2 LEU 21 1.506 -6.925 -0.262 140 HD22 LEU 21 2HD2 LEU 21 1.696 -5.528 -1.349 141 HD23 LEU 21 3HD2 LEU 21 1.698 -5.291 0.415 142 H PHE 22 H PHE 22 -3.777 -4.886 -1.381 143 HA PHE 22 HA PHE 22 -4.619 -7.337 0.001 144 HB2 PHE 22 1HB PHE 22 -5.971 -5.420 -1.987 145 HB3 PHE 22 2HB PHE 22 -6.684 -6.957 -1.541 146 HD1 PHE 22 1HD PHE 22 -7.340 -7.341 0.863 147 HD2 PHE 22 2HD PHE 22 -6.204 -3.522 -0.597 148 HE1 PHE 22 1HE PHE 22 -8.436 -6.257 2.844 149 HE2 PHE 22 2HE PHE 22 -7.300 -2.438 1.384 150 HZ PHE 22 HZ PHE 22 -8.403 -3.819 3.081 151 H THR 23 H THR 23 -3.522 -9.044 -0.874 152 HA THR 23 HA THR 23 -3.393 -9.136 -3.817 153 HB THR 23 HB THR 23 -1.147 -8.729 -2.975 154 HG1 THR 23 1HG THR 23 -1.567 -11.623 -3.167 155 HG21 THR 23 1HG2 THR 23 -1.180 -9.285 -0.642 156 HG22 THR 23 2HG2 THR 23 -1.890 -10.887 -0.954 157 HG23 THR 23 3HG2 THR 23 -0.191 -10.570 -1.377 158 H LYS 24 H LYS 24 -3.570 -11.232 -4.800 159 HA LYS 24 HA LYS 24 -4.602 -13.297 -3.011 160 HB2 LYS 24 1HB LYS 24 -6.497 -13.714 -4.533 161 HB3 LYS 24 2HB LYS 24 -6.585 -12.142 -3.764 162 HG2 LYS 24 1HG LYS 24 -5.798 -11.017 -5.775 163 HG3 LYS 24 2HG LYS 24 -5.376 -12.538 -6.536 164 HD2 LYS 24 1HD LYS 24 -8.226 -12.270 -5.647 165 HD3 LYS 24 2HD LYS 24 -7.740 -11.236 -6.976 166 HE2 LYS 24 1HE LYS 24 -8.311 -13.106 -8.213 167 HE3 LYS 24 2HE LYS 24 -6.644 -13.532 -7.883 168 HZ1 LYS 24 1HZ LYS 24 -8.167 -14.347 -5.722 169 HZ2 LYS 24 2HZ LYS 24 -8.940 -14.856 -7.067 170 HZ3 LYS 24 3HZ LYS 24 -7.385 -15.283 -6.808 171 H ALA 25 H ALA 25 -3.499 -15.143 -3.355 172 HA ALA 25 HA ALA 25 -1.916 -15.338 -5.775 173 HB1 ALA 25 1HB ALA 25 -2.076 -17.253 -3.420 174 HB2 ALA 25 2HB ALA 25 -0.765 -17.097 -4.615 175 HB3 ALA 25 3HB ALA 25 -1.048 -15.800 -3.430 176 HA PRO 26 HA PRO 26 -1.102 -16.605 -6.936 177 HB2 PRO 26 1HB PRO 26 -1.219 -16.959 -9.644 178 HB3 PRO 26 2HB PRO 26 -0.705 -18.215 -8.534 179 HG2 PRO 26 1HG PRO 26 -3.272 -17.953 -9.978 180 HG3 PRO 26 2HG PRO 26 -2.579 -19.373 -9.221 181 HD2 PRO 26 1HD PRO 26 -4.701 -17.741 -8.190 182 HD3 PRO 26 2HD PRO 26 -3.929 -19.091 -7.382 183 H CYS 27 H CYS 27 -0.076 -14.848 -8.213 184 HA CYS 27 HA CYS 27 -1.808 -13.042 -9.496 185 HB2 CYS 27 1HB CYS 27 -1.367 -11.159 -7.750 186 HB3 CYS 27 2HB CYS 27 -2.705 -12.265 -7.509 187 HG CYS 27 HG CYS 27 0.373 -12.652 -6.343 188 HA PRO 28 HA PRO 28 2.425 -12.500 -10.678 189 HB2 PRO 28 1HB PRO 28 1.940 -11.474 -13.164 190 HB3 PRO 28 2HB PRO 28 2.050 -13.193 -12.842 191 HG2 PRO 28 1HG PRO 28 -0.357 -11.553 -13.351 192 HG3 PRO 28 2HG PRO 28 -0.173 -13.293 -13.449 193 HD2 PRO 28 1HD PRO 28 -1.437 -11.817 -11.339 194 HD3 PRO 28 2HD PRO 28 -1.150 -13.546 -11.383 195 H LEU 29 H LEU 29 -0.083 -10.121 -10.679 196 HA LEU 29 HA LEU 29 1.858 -7.985 -10.824 197 HB2 LEU 29 1HB LEU 29 -1.092 -7.746 -10.277 198 HB3 LEU 29 2HB LEU 29 0.001 -6.527 -10.901 199 HG LEU 29 HG LEU 29 -0.923 -9.020 -12.356 200 HD11 LEU 29 1HD1 LEU 29 -1.802 -7.080 -13.916 201 HD12 LEU 29 2HD1 LEU 29 -2.742 -7.641 -12.512 202 HD13 LEU 29 3HD1 LEU 29 -1.772 -6.153 -12.396 203 HD21 LEU 29 1HD2 LEU 29 0.831 -8.829 -13.695 204 HD22 LEU 29 2HD2 LEU 29 0.315 -7.180 -14.124 205 HD23 LEU 29 3HD2 LEU 29 1.427 -7.438 -12.758 206 H CYS 30 H CYS 30 -0.782 -8.854 -8.477 207 HA CYS 30 HA CYS 30 -0.033 -7.297 -6.430 208 HB2 CYS 30 1HB CYS 30 -0.970 -10.165 -6.095 209 HB3 CYS 30 2HB CYS 30 -1.135 -8.863 -4.934 210 HG CYS 30 HG CYS 30 -3.239 -8.109 -5.693 211 H ASP 31 H ASP 31 1.547 -10.235 -7.671 212 HA ASP 31 HA ASP 31 3.126 -10.723 -5.426 213 HB2 ASP 31 1HB ASP 31 3.013 -12.522 -6.932 214 HB3 ASP 31 2HB ASP 31 3.172 -11.490 -8.340 215 H GLU 32 H GLU 32 3.671 -9.000 -8.583 216 HA GLU 32 HA GLU 32 6.302 -8.270 -7.960 217 HB2 GLU 32 1HB GLU 32 4.814 -8.304 -10.241 218 HB3 GLU 32 2HB GLU 32 4.725 -6.592 -9.874 219 HG2 GLU 32 1HG GLU 32 6.829 -6.297 -10.657 220 HG3 GLU 32 2HG GLU 32 7.450 -7.399 -9.445 221 H ALA 33 H ALA 33 3.110 -6.585 -7.739 222 HA ALA 33 HA ALA 33 3.777 -4.072 -7.149 223 HB1 ALA 33 1HB ALA 33 1.595 -5.871 -6.595 224 HB2 ALA 33 2HB ALA 33 1.873 -4.841 -5.170 225 HB3 ALA 33 3HB ALA 33 1.567 -4.099 -6.758 226 H LYS 34 H LYS 34 3.649 -6.724 -4.659 227 HA LYS 34 HA LYS 34 4.558 -5.309 -2.527 228 HB2 LYS 34 1HB LYS 34 5.051 -8.193 -3.309 229 HB3 LYS 34 2HB LYS 34 5.487 -7.535 -1.745 230 HG2 LYS 34 1HG LYS 34 3.293 -7.366 -1.041 231 HG3 LYS 34 2HG LYS 34 2.701 -6.924 -2.630 232 HD2 LYS 34 1HD LYS 34 1.851 -9.054 -2.640 233 HD3 LYS 34 2HD LYS 34 3.471 -9.501 -3.135 234 HE2 LYS 34 1HE LYS 34 3.206 -9.228 -0.198 235 HE3 LYS 34 2HE LYS 34 2.138 -10.447 -0.864 236 HZ1 LYS 34 1HZ LYS 34 4.634 -10.932 -0.292 237 HZ2 LYS 34 2HZ LYS 34 3.869 -11.702 -1.512 238 HZ3 LYS 34 3HZ LYS 34 4.858 -10.443 -1.834 239 H GLU 35 H GLU 35 6.542 -6.946 -5.078 240 HA GLU 35 HA GLU 35 8.984 -6.352 -3.986 241 HB2 GLU 35 1HB GLU 35 8.403 -6.409 -6.973 242 HB3 GLU 35 2HB GLU 35 9.899 -6.845 -6.170 243 HG2 GLU 35 1HG GLU 35 8.400 -8.627 -4.905 244 HG3 GLU 35 2HG GLU 35 7.272 -8.360 -6.220 245 H VAL 36 H VAL 36 6.650 -4.295 -5.648 246 HA VAL 36 HA VAL 36 8.575 -2.245 -6.240 247 HB VAL 36 HB VAL 36 5.559 -2.103 -6.268 248 HG11 VAL 36 1HG1 VAL 36 5.806 -0.286 -7.771 249 HG12 VAL 36 2HG1 VAL 36 6.963 0.017 -6.453 250 HG13 VAL 36 3HG1 VAL 36 7.538 -0.618 -8.013 251 HG21 VAL 36 1HG2 VAL 36 6.709 -4.055 -7.584 252 HG22 VAL 36 2HG2 VAL 36 5.464 -3.060 -8.378 253 HG23 VAL 36 3HG2 VAL 36 7.188 -2.762 -8.710 254 H LEU 37 H LEU 37 6.761 -3.329 -3.496 255 HA LEU 37 HA LEU 37 6.966 -0.683 -2.260 256 HB2 LEU 37 1HB LEU 37 5.374 -3.138 -1.516 257 HB3 LEU 37 2HB LEU 37 5.478 -1.696 -0.526 258 HG LEU 37 HG LEU 37 4.131 -2.065 -3.191 259 HD11 LEU 37 1HD1 LEU 37 2.713 -2.505 -1.344 260 HD12 LEU 37 2HD1 LEU 37 3.271 -1.055 -0.474 261 HD13 LEU 37 3HD1 LEU 37 2.278 -0.886 -1.942 262 HD21 LEU 37 1HD2 LEU 37 3.749 0.431 -3.188 263 HD22 LEU 37 2HD2 LEU 37 5.052 0.549 -1.982 264 HD23 LEU 37 3HD2 LEU 37 5.396 -0.101 -3.603 265 H GLN 38 H GLN 38 9.027 -3.054 -2.833 266 HA GLN 38 HA GLN 38 9.772 -4.014 -0.349 267 HB2 GLN 38 1HB GLN 38 10.867 -3.947 -3.078 268 HB3 GLN 38 2HB GLN 38 12.132 -3.873 -1.868 269 HG2 GLN 38 1HG GLN 38 10.335 -5.829 -0.890 270 HG3 GLN 38 2HG GLN 38 10.410 -6.129 -2.614 271 HE21 GLN 38 1HE2 GLN 38 13.037 -5.120 -3.046 272 HE22 GLN 38 2HE2 GLN 38 14.178 -6.231 -2.365 273 HA PRO 39 HA PRO 39 12.690 -0.273 -0.219 274 HB2 PRO 39 1HB PRO 39 12.382 1.758 -2.021 275 HB3 PRO 39 2HB PRO 39 13.543 0.462 -2.228 276 HG2 PRO 39 1HG PRO 39 10.960 0.874 -3.606 277 HG3 PRO 39 2HG PRO 39 12.306 -0.144 -4.078 278 HD2 PRO 39 1HD PRO 39 9.839 -1.002 -2.893 279 HD3 PRO 39 2HD PRO 39 11.230 -2.003 -3.259 280 H TYR 40 H TYR 40 9.432 -0.349 -0.336 281 HA TYR 40 HA TYR 40 9.276 2.159 1.198 282 HB2 TYR 40 1HB TYR 40 7.243 0.548 -0.471 283 HB3 TYR 40 2HB TYR 40 6.828 2.002 0.415 284 HD1 TYR 40 2HD TYR 40 7.567 4.211 -0.365 285 HD2 TYR 40 1HD TYR 40 8.525 0.660 -2.549 286 HE1 TYR 40 2HE TYR 40 8.194 5.616 -2.389 287 HE2 TYR 40 1HE TYR 40 9.149 2.077 -4.565 288 HH TYR 40 HH TYR 40 9.401 4.069 -5.353 289 H LYS 41 H LYS 41 9.563 -1.103 1.605 290 HA LYS 41 HA LYS 41 7.392 -1.804 3.195 291 HB2 LYS 41 1HB LYS 41 8.674 -3.688 3.822 292 HB3 LYS 41 2HB LYS 41 9.132 -3.318 2.172 293 HG2 LYS 41 1HG LYS 41 11.168 -2.152 2.957 294 HG3 LYS 41 2HG LYS 41 10.691 -2.381 4.627 295 HD2 LYS 41 1HD LYS 41 11.477 -4.521 4.671 296 HD3 LYS 41 2HD LYS 41 10.692 -4.928 3.158 297 HE2 LYS 41 1HE LYS 41 12.749 -4.934 2.195 298 HE3 LYS 41 2HE LYS 41 12.763 -3.191 2.374 299 HZ1 LYS 41 1HZ LYS 41 14.376 -3.428 3.828 300 HZ2 LYS 41 2HZ LYS 41 13.418 -4.299 4.824 301 HZ3 LYS 41 3HZ LYS 41 14.329 -5.055 3.699 302 H ASP 42 H ASP 42 10.291 0.146 3.837 303 HA ASP 42 HA ASP 42 9.690 0.123 6.655 304 HB2 ASP 42 1HB ASP 42 11.770 1.441 6.872 305 HB3 ASP 42 2HB ASP 42 12.052 -0.010 5.931 306 H ARG 43 H ARG 43 9.004 1.880 3.745 307 HA ARG 43 HA ARG 43 8.898 4.458 4.821 308 HB2 ARG 43 1HB ARG 43 7.696 3.136 2.354 309 HB3 ARG 43 2HB ARG 43 7.338 4.810 2.731 310 HG2 ARG 43 1HG ARG 43 10.185 3.733 2.513 311 HG3 ARG 43 2HG ARG 43 9.324 4.427 1.154 312 HD2 ARG 43 1HD ARG 43 10.349 6.361 1.910 313 HD3 ARG 43 2HD ARG 43 8.914 6.439 2.913 314 HE ARG 43 HE ARG 43 10.755 4.864 4.350 315 HH11 ARG 43 2HH2 ARG 43 10.611 8.152 3.103 316 HH12 ARG 43 1HH2 ARG 43 11.637 8.802 4.339 317 HH21 ARG 43 2HH1 ARG 43 12.109 5.721 5.980 318 HH22 ARG 43 1HH1 ARG 43 12.494 7.409 5.986 319 H PHE 44 H PHE 44 7.002 1.685 5.375 320 HA PHE 44 HA PHE 44 5.209 2.948 7.038 321 HB2 PHE 44 1HB PHE 44 3.128 2.587 5.522 322 HB3 PHE 44 2HB PHE 44 4.154 3.935 5.072 323 HD1 PHE 44 1HD PHE 44 3.940 0.266 4.369 324 HD2 PHE 44 2HD PHE 44 4.600 4.166 2.831 325 HE1 PHE 44 1HE PHE 44 4.179 -0.685 2.059 326 HE2 PHE 44 2HE PHE 44 4.838 3.214 0.520 327 HZ PHE 44 HZ PHE 44 4.624 0.800 0.162 328 H ILE 45 H ILE 45 3.171 1.388 7.434 329 HA ILE 45 HA ILE 45 4.342 -1.265 7.607 330 HB ILE 45 HB ILE 45 2.010 0.095 8.940 331 HG12 ILE 45 1HG1 ILE 45 4.414 -1.170 10.248 332 HG13 ILE 45 2HG1 ILE 45 4.487 0.462 9.615 333 HG21 ILE 45 1HG2 ILE 45 2.521 -2.435 10.133 334 HG22 ILE 45 2HG2 ILE 45 1.034 -1.852 9.349 335 HG23 ILE 45 3HG2 ILE 45 2.275 -2.694 8.390 336 HD11 ILE 45 1HD1 ILE 45 3.357 -0.426 12.103 337 HD12 ILE 45 2HD1 ILE 45 3.456 1.235 11.472 338 HD13 ILE 45 3HD1 ILE 45 2.035 0.227 11.106 339 H LEU 46 H LEU 46 4.139 -2.312 5.657 340 HA LEU 46 HA LEU 46 1.820 -1.997 4.048 341 HB2 LEU 46 1HB LEU 46 4.042 -2.436 3.139 342 HB3 LEU 46 2HB LEU 46 4.086 -3.993 3.941 343 HG LEU 46 HG LEU 46 2.136 -4.724 2.574 344 HD11 LEU 46 1HD1 LEU 46 2.289 -1.910 1.654 345 HD12 LEU 46 2HD1 LEU 46 1.982 -3.138 0.402 346 HD13 LEU 46 3HD1 LEU 46 0.893 -3.004 1.804 347 HD21 LEU 46 1HD2 LEU 46 4.846 -4.197 1.648 348 HD22 LEU 46 2HD2 LEU 46 3.825 -5.641 1.451 349 HD23 LEU 46 3HD2 LEU 46 3.678 -4.285 0.308 350 H GLN 47 H GLN 47 -0.146 -2.757 4.608 351 HA GLN 47 HA GLN 47 -0.232 -5.085 6.311 352 HB2 GLN 47 1HB GLN 47 -1.667 -2.768 6.367 353 HB3 GLN 47 2HB GLN 47 -2.754 -3.752 5.408 354 HG2 GLN 47 1HG GLN 47 -2.011 -4.003 8.281 355 HG3 GLN 47 2HG GLN 47 -3.513 -4.418 7.479 356 HE21 GLN 47 1HE2 GLN 47 -0.484 -5.501 8.636 357 HE22 GLN 47 2HE2 GLN 47 -0.602 -7.175 8.208 358 H GLU 48 H GLU 48 -0.012 -6.989 5.179 359 HA GLU 48 HA GLU 48 -1.135 -7.160 2.552 360 HB2 GLU 48 1HB GLU 48 0.816 -8.658 4.179 361 HB3 GLU 48 2HB GLU 48 -0.239 -9.715 3.262 362 HG2 GLU 48 1HG GLU 48 0.535 -8.949 1.202 363 HG3 GLU 48 2HG GLU 48 0.878 -7.339 1.801 364 H VAL 49 H VAL 49 -3.368 -7.285 2.543 365 HA VAL 49 HA VAL 49 -4.635 -9.027 4.504 366 HB VAL 49 HB VAL 49 -5.722 -7.038 2.502 367 HG11 VAL 49 1HG1 VAL 49 -7.747 -7.477 4.285 368 HG12 VAL 49 2HG1 VAL 49 -7.616 -8.251 2.687 369 HG13 VAL 49 3HG1 VAL 49 -7.048 -9.108 4.140 370 HG21 VAL 49 1HG2 VAL 49 -4.523 -6.655 5.024 371 HG22 VAL 49 2HG2 VAL 49 -5.444 -5.471 4.065 372 HG23 VAL 49 3HG2 VAL 49 -6.274 -6.468 5.284 373 H ASP 50 H ASP 50 -6.012 -10.782 3.892 374 HA ASP 50 HA ASP 50 -5.316 -11.788 1.255 375 HB2 ASP 50 1HB ASP 50 -5.677 -12.988 3.926 376 HB3 ASP 50 2HB ASP 50 -6.590 -13.844 2.699 377 H ILE 51 H ILE 51 -6.985 -11.126 -0.147 378 HA ILE 51 HA ILE 51 -9.681 -10.934 0.825 379 HB ILE 51 HB ILE 51 -10.179 -10.146 -1.419 380 HG12 ILE 51 1HG1 ILE 51 -7.278 -10.442 -2.178 381 HG13 ILE 51 2HG1 ILE 51 -8.413 -11.747 -2.462 382 HG21 ILE 51 1HG2 ILE 51 -7.663 -8.683 -0.862 383 HG22 ILE 51 2HG2 ILE 51 -9.331 -8.089 -1.042 384 HG23 ILE 51 3HG2 ILE 51 -8.809 -8.827 0.492 385 HD11 ILE 51 1HD1 ILE 51 -9.254 -10.693 -4.280 386 HD12 ILE 51 2HD1 ILE 51 -9.596 -9.231 -3.325 387 HD13 ILE 51 3HD1 ILE 51 -7.998 -9.449 -4.078 388 H THR 52 H THR 52 -7.649 -13.444 -0.262 389 HA THR 52 HA THR 52 -9.634 -14.926 -1.705 390 HB THR 52 HB THR 52 -7.804 -16.715 -1.483 391 HG1 THR 52 1HG THR 52 -6.952 -15.891 0.548 392 HG21 THR 52 1HG2 THR 52 -5.982 -14.745 -2.346 393 HG22 THR 52 2HG2 THR 52 -7.081 -15.674 -3.394 394 HG23 THR 52 3HG2 THR 52 -7.572 -14.075 -2.783 395 H LEU 53 H LEU 53 -9.540 -14.019 1.466 396 HA LEU 53 HA LEU 53 -10.349 -16.613 2.502 397 HB2 LEU 53 1HB LEU 53 -9.698 -13.948 3.733 398 HB3 LEU 53 2HB LEU 53 -10.525 -15.194 4.647 399 HG LEU 53 HG LEU 53 -7.884 -15.709 3.273 400 HD11 LEU 53 1HD1 LEU 53 -6.726 -15.197 5.328 401 HD12 LEU 53 2HD1 LEU 53 -7.653 -13.772 4.800 402 HD13 LEU 53 3HD1 LEU 53 -8.259 -14.783 6.133 403 HD21 LEU 53 1HD2 LEU 53 -7.705 -17.593 4.708 404 HD22 LEU 53 2HD2 LEU 53 -9.099 -17.072 5.684 405 HD23 LEU 53 3HD2 LEU 53 -9.342 -17.629 4.010 406 HA PRO 54 HA PRO 54 -14.566 -15.721 2.321 407 HB2 PRO 54 1HB PRO 54 -15.572 -16.993 4.521 408 HB3 PRO 54 2HB PRO 54 -15.144 -17.830 3.042 409 HG2 PRO 54 1HG PRO 54 -13.694 -17.759 5.617 410 HG3 PRO 54 2HG PRO 54 -13.528 -18.896 4.294 411 HD2 PRO 54 1HD PRO 54 -11.749 -16.739 4.936 412 HD3 PRO 54 2HD PRO 54 -11.647 -17.804 3.549 413 H GLU 55 H GLU 55 -13.125 -15.019 5.429 414 HA GLU 55 HA GLU 55 -15.234 -13.302 6.163 415 HB2 GLU 55 1HB GLU 55 -13.746 -12.665 8.035 416 HB3 GLU 55 2HB GLU 55 -13.805 -14.406 7.839 417 HG2 GLU 55 1HG GLU 55 -11.661 -14.334 6.550 418 HG3 GLU 55 2HG GLU 55 -11.603 -12.593 6.740 419 H ASN 56 H ASN 56 -12.456 -13.027 4.078 420 HA ASN 56 HA ASN 56 -12.607 -10.130 4.243 421 HB2 ASN 56 1HB ASN 56 -10.532 -11.987 2.966 422 HB3 ASN 56 2HB ASN 56 -10.459 -10.239 2.864 423 HD21 ASN 56 1HD2 ASN 56 -8.674 -12.241 4.104 424 HD22 ASN 56 2HD2 ASN 56 -8.459 -11.764 5.755 425 H SER 57 H SER 57 -14.214 -12.513 2.730 426 HA SER 57 HA SER 57 -13.838 -12.339 0.064 427 HB2 SER 57 1HB SER 57 -15.424 -13.886 1.168 428 HB3 SER 57 2HB SER 57 -16.483 -12.549 1.569 429 HG SER 57 HG SER 57 -16.214 -13.943 -0.825 430 H THR 58 H THR 58 -14.998 -9.876 2.259 431 HA THR 58 HA THR 58 -16.485 -8.360 0.365 432 HB THR 58 HB THR 58 -15.351 -7.986 3.155 433 HG1 THR 58 1HG THR 58 -17.700 -7.780 3.437 434 HG21 THR 58 1HG2 THR 58 -16.516 -5.859 1.304 435 HG22 THR 58 2HG2 THR 58 -16.730 -5.770 3.069 436 HG23 THR 58 3HG2 THR 58 -15.094 -5.729 2.367 437 H TRP 59 H TRP 59 -13.114 -8.128 1.660 438 HA TRP 59 HA TRP 59 -12.419 -5.866 0.200 439 HB2 TRP 59 1HB TRP 59 -10.867 -8.125 1.427 440 HB3 TRP 59 2HB TRP 59 -10.055 -6.901 0.472 441 HD1 TRP 59 HD TRP 59 -11.289 -7.500 3.949 442 HE1 TRP 59 1HE TRP 59 -11.071 -5.376 5.500 443 HE3 TRP 59 3HE TRP 59 -10.339 -4.206 0.194 444 HZ2 TRP 59 2HZ TRP 59 -10.537 -2.619 4.994 445 HZ3 TRP 59 3HZ TRP 59 -9.981 -1.817 0.808 446 HH2 TRP 59 HH TRP 59 -10.067 -1.006 3.112 447 H TYR 60 H TYR 60 -13.099 -9.153 -0.744 448 HA TYR 60 HA TYR 60 -11.550 -8.968 -3.189 449 HB2 TYR 60 1HB TYR 60 -11.933 -11.052 -1.686 450 HB3 TYR 60 2HB TYR 60 -13.624 -10.992 -2.141 451 HD1 TYR 60 1HD TYR 60 -14.297 -11.439 -4.515 452 HD2 TYR 60 2HD TYR 60 -10.276 -11.981 -3.156 453 HE1 TYR 60 1HE TYR 60 -13.791 -12.866 -6.557 454 HE2 TYR 60 2HE TYR 60 -9.784 -13.407 -5.202 455 HH TYR 60 HH TYR 60 -12.007 -13.603 -7.838 456 H GLU 61 H GLU 61 -15.036 -9.449 -2.258 457 HA GLU 61 HA GLU 61 -16.053 -9.300 -4.772 458 HB2 GLU 61 1HB GLU 61 -17.223 -8.413 -2.106 459 HB3 GLU 61 2HB GLU 61 -18.169 -8.450 -3.580 460 HG2 GLU 61 1HG GLU 61 -18.002 -10.817 -3.785 461 HG3 GLU 61 2HG GLU 61 -16.604 -10.907 -2.731 462 H ARG 62 H ARG 62 -14.539 -6.797 -2.892 463 HA ARG 62 HA ARG 62 -15.821 -4.741 -4.461 464 HB2 ARG 62 1HB ARG 62 -14.830 -3.161 -2.900 465 HB3 ARG 62 2HB ARG 62 -15.483 -4.482 -1.951 466 HG2 ARG 62 1HG ARG 62 -13.260 -5.499 -1.721 467 HG3 ARG 62 2HG ARG 62 -12.564 -4.339 -2.835 468 HD2 ARG 62 1HD ARG 62 -13.613 -3.837 -0.024 469 HD3 ARG 62 2HD ARG 62 -12.004 -3.530 -0.645 470 HE ARG 62 HE ARG 62 -13.494 -1.904 -2.249 471 HH11 ARG 62 2HH2 ARG 62 -13.511 -2.366 1.239 472 HH12 ARG 62 1HH2 ARG 62 -14.023 -0.747 1.580 473 HH21 ARG 62 2HH1 ARG 62 -14.170 0.233 -1.800 474 HH22 ARG 62 1HH1 ARG 62 -14.401 0.741 -0.161 475 H TYR 63 H TYR 63 -12.752 -6.482 -4.011 476 HA TYR 63 HA TYR 63 -11.686 -5.046 -6.334 477 HB2 TYR 63 1HB TYR 63 -10.364 -5.794 -3.652 478 HB3 TYR 63 2HB TYR 63 -9.445 -5.237 -5.036 479 HD1 TYR 63 1HD TYR 63 -11.155 -3.032 -6.056 480 HD2 TYR 63 2HD TYR 63 -10.126 -4.110 -2.045 481 HE1 TYR 63 1HE TYR 63 -11.504 -0.626 -5.312 482 HE2 TYR 63 2HE TYR 63 -10.478 -1.701 -1.315 483 HH TYR 63 HH TYR 63 -11.530 0.757 -3.658 484 H LYS 64 H LYS 64 -12.766 -7.181 -7.168 485 HA LYS 64 HA LYS 64 -10.929 -9.423 -6.760 486 HB2 LYS 64 1HB LYS 64 -12.702 -10.838 -7.573 487 HB3 LYS 64 2HB LYS 64 -13.324 -9.816 -6.293 488 HG2 LYS 64 1HG LYS 64 -14.036 -8.189 -8.232 489 HG3 LYS 64 2HG LYS 64 -13.787 -9.566 -9.286 490 HD2 LYS 64 1HD LYS 64 -15.719 -10.566 -8.608 491 HD3 LYS 64 2HD LYS 64 -15.344 -10.324 -6.913 492 HE2 LYS 64 1HE LYS 64 -15.932 -7.741 -7.647 493 HE3 LYS 64 2HE LYS 64 -16.961 -8.618 -8.762 494 HZ1 LYS 64 1HZ LYS 64 -17.293 -8.249 -6.010 495 HZ2 LYS 64 2HZ LYS 64 -18.334 -8.904 -7.085 496 HZ3 LYS 64 3HZ LYS 64 -17.239 -9.850 -6.329 497 H PHE 65 H PHE 65 -11.516 -6.785 -8.809 498 HA PHE 65 HA PHE 65 -9.870 -8.028 -10.846 499 HB2 PHE 65 1HB PHE 65 -11.551 -6.950 -12.549 500 HB3 PHE 65 2HB PHE 65 -12.072 -8.430 -11.767 501 HD1 PHE 65 2HD PHE 65 -12.191 -4.747 -11.128 502 HD2 PHE 65 1HD PHE 65 -14.221 -8.469 -10.948 503 HE1 PHE 65 2HE PHE 65 -14.254 -3.582 -10.298 504 HE2 PHE 65 1HE PHE 65 -16.283 -7.304 -10.118 505 HZ PHE 65 HZ PHE 65 -16.275 -4.874 -9.803 506 H ASP 66 H ASP 66 -9.922 -5.785 -8.654 507 HA ASP 66 HA ASP 66 -8.954 -3.732 -10.479 508 HB2 ASP 66 1HB ASP 66 -10.043 -2.981 -7.769 509 HB3 ASP 66 2HB ASP 66 -9.968 -2.017 -9.230 510 H ILE 67 H ILE 67 -7.564 -5.985 -9.090 511 HA ILE 67 HA ILE 67 -6.059 -4.530 -7.040 512 HB ILE 67 HB ILE 67 -5.220 -7.119 -6.899 513 HG12 ILE 67 1HG1 ILE 67 -8.150 -7.174 -7.676 514 HG13 ILE 67 2HG1 ILE 67 -6.821 -7.903 -8.555 515 HG21 ILE 67 1HG2 ILE 67 -7.553 -6.768 -5.241 516 HG22 ILE 67 2HG2 ILE 67 -5.830 -6.764 -4.796 517 HG23 ILE 67 3HG2 ILE 67 -6.616 -5.257 -5.321 518 HD11 ILE 67 1HD1 ILE 67 -8.306 -9.318 -6.822 519 HD12 ILE 67 2HD1 ILE 67 -6.569 -9.641 -7.035 520 HD13 ILE 67 3HD1 ILE 67 -7.129 -8.660 -5.660 521 HA PRO 68 HA PRO 68 -4.260 -5.642 -6.116 522 HB2 PRO 68 1HB PRO 68 -1.871 -4.530 -5.394 523 HB3 PRO 68 2HB PRO 68 -2.061 -6.231 -5.773 524 HG2 PRO 68 1HG PRO 68 -0.839 -4.093 -7.408 525 HG3 PRO 68 2HG PRO 68 -0.666 -5.829 -7.565 526 HD2 PRO 68 1HD PRO 68 -2.276 -4.111 -9.203 527 HD3 PRO 68 2HD PRO 68 -2.192 -5.859 -9.285 528 H VAL 69 H VAL 69 -4.788 -4.357 -4.302 529 HA VAL 69 HA VAL 69 -5.234 -1.586 -5.164 530 HB VAL 69 HB VAL 69 -6.667 -3.346 -3.168 531 HG11 VAL 69 1HG1 VAL 69 -8.256 -1.378 -2.992 532 HG12 VAL 69 2HG1 VAL 69 -6.671 -1.164 -2.211 533 HG13 VAL 69 3HG1 VAL 69 -6.999 -0.397 -3.784 534 HG21 VAL 69 1HG2 VAL 69 -6.972 -3.284 -5.874 535 HG22 VAL 69 2HG2 VAL 69 -8.272 -3.682 -4.724 536 HG23 VAL 69 3HG2 VAL 69 -8.135 -2.031 -5.377 537 H PHE 70 H PHE 70 -4.782 0.136 -3.658 538 HA PHE 70 HA PHE 70 -3.168 -0.665 -1.359 539 HB2 PHE 70 1HB PHE 70 -2.513 1.372 -3.572 540 HB3 PHE 70 2HB PHE 70 -1.585 1.234 -2.092 541 HD1 PHE 70 1HD PHE 70 -0.116 -0.675 -1.716 542 HD2 PHE 70 2HD PHE 70 -2.334 -0.308 -5.315 543 HE1 PHE 70 1HE PHE 70 1.330 -2.426 -2.786 544 HE2 PHE 70 2HE PHE 70 -0.888 -2.059 -6.385 545 HZ PHE 70 HZ PHE 70 0.927 -3.097 -5.108 546 H HIS 71 H HIS 71 -4.048 0.270 0.419 547 HA HIS 71 HA HIS 71 -5.400 2.836 0.007 548 HB2 HIS 71 1HB HIS 71 -5.900 0.649 2.044 549 HB3 HIS 71 2HB HIS 71 -6.657 2.228 2.098 550 HD1 HIS 71 1HD HIS 71 -8.860 0.550 1.903 551 HD2 HIS 71 2HD HIS 71 -6.523 1.103 -1.536 552 HE1 HIS 71 1HE HIS 71 -10.309 -0.171 -0.070 553 H LEU 72 H LEU 72 -4.315 4.575 0.767 554 HA LEU 72 HA LEU 72 -2.325 4.081 2.859 555 HB2 LEU 72 1HB LEU 72 -2.119 5.339 0.411 556 HB3 LEU 72 2HB LEU 72 -2.298 6.682 1.523 557 HG LEU 72 HG LEU 72 -0.091 4.670 1.306 558 HD11 LEU 72 1HD1 LEU 72 0.473 6.633 0.221 559 HD12 LEU 72 2HD1 LEU 72 -0.350 7.661 1.419 560 HD13 LEU 72 3HD1 LEU 72 1.192 6.873 1.831 561 HD21 LEU 72 1HD2 LEU 72 -1.135 5.812 3.846 562 HD22 LEU 72 2HD2 LEU 72 -0.280 4.283 3.533 563 HD23 LEU 72 3HD2 LEU 72 0.630 5.810 3.615 564 H ASN 73 H ASN 73 -2.857 4.627 4.898 565 HA ASN 73 HA ASN 73 -3.697 5.711 6.583 566 HB2 ASN 73 1HB ASN 73 -3.677 7.770 4.506 567 HB3 ASN 73 2HB ASN 73 -5.087 7.985 5.523 568 HD21 ASN 73 1HD2 ASN 73 -1.694 8.240 5.239 569 HD22 ASN 73 2HD2 ASN 73 -1.323 8.850 6.817 570 H GLY 74 H GLY 74 -5.252 3.861 4.715 571 HA2 GLY 74 1HA GLY 74 -7.305 2.909 4.823 572 HA3 GLY 74 2HA GLY 74 -7.821 4.143 5.955 573 H GLN 75 H GLN 75 -6.415 4.657 2.669 574 HA GLN 75 HA GLN 75 -9.019 5.283 1.643 575 HB2 GLN 75 1HB GLN 75 -7.488 7.359 2.764 576 HB3 GLN 75 2HB GLN 75 -7.190 7.504 1.044 577 HG2 GLN 75 1HG GLN 75 -9.918 7.068 1.060 578 HG3 GLN 75 2HG GLN 75 -9.715 7.930 2.572 579 HE21 GLN 75 1HE2 GLN 75 -11.164 9.082 0.650 580 HE22 GLN 75 2HE2 GLN 75 -10.347 10.427 -0.073 581 H PHE 76 H PHE 76 -9.087 4.375 -0.364 582 HA PHE 76 HA PHE 76 -7.150 3.056 -1.602 583 HB2 PHE 76 1HB PHE 76 -9.263 2.961 -2.657 584 HB3 PHE 76 2HB PHE 76 -9.557 4.673 -2.425 585 HD1 PHE 76 1HD PHE 76 -7.045 2.618 -4.290 586 HD2 PHE 76 2HD PHE 76 -9.803 5.841 -4.384 587 HE1 PHE 76 1HE PHE 76 -6.467 3.042 -6.696 588 HE2 PHE 76 2HE PHE 76 -9.226 6.265 -6.790 589 HZ PHE 76 HZ PHE 76 -7.564 4.861 -7.917 590 H LEU 77 H LEU 77 -5.034 3.752 -1.762 591 HA LEU 77 HA LEU 77 -4.485 6.447 -2.592 592 HB2 LEU 77 1HB LEU 77 -2.716 6.050 -1.349 593 HB3 LEU 77 2HB LEU 77 -3.144 4.357 -1.202 594 HG LEU 77 HG LEU 77 -2.002 4.093 -3.526 595 HD11 LEU 77 1HD1 LEU 77 -0.388 6.476 -2.681 596 HD12 LEU 77 2HD1 LEU 77 -0.518 5.691 -4.273 597 HD13 LEU 77 3HD1 LEU 77 -1.854 6.698 -3.666 598 HD21 LEU 77 1HD2 LEU 77 -1.025 4.030 -0.816 599 HD22 LEU 77 2HD2 LEU 77 -0.629 2.973 -2.192 600 HD23 LEU 77 3HD2 LEU 77 0.286 4.478 -1.934 601 H MET 78 H MET 78 -4.268 3.114 -3.951 602 HA MET 78 HA MET 78 -4.748 4.026 -6.522 603 HB2 MET 78 1HB MET 78 -2.558 3.821 -7.568 604 HB3 MET 78 2HB MET 78 -2.334 4.857 -6.172 605 HG2 MET 78 1HG MET 78 -1.739 2.653 -4.879 606 HG3 MET 78 2HG MET 78 -1.581 1.923 -6.464 607 HE1 MET 78 1HE MET 78 0.653 2.976 -3.853 608 HE2 MET 78 2HE MET 78 0.742 1.582 -4.956 609 HE3 MET 78 3HE MET 78 2.042 2.798 -4.952 610 H MET 79 H MET 79 -4.944 2.249 -8.052 611 HA MET 79 HA MET 79 -4.311 -0.359 -6.975 612 HB2 MET 79 1HB MET 79 -6.640 -1.162 -7.498 613 HB3 MET 79 2HB MET 79 -6.653 0.080 -6.262 614 HG2 MET 79 1HG MET 79 -7.247 1.801 -7.945 615 HG3 MET 79 2HG MET 79 -7.129 0.620 -9.234 616 HE1 MET 79 1HE MET 79 -9.886 2.465 -8.333 617 HE2 MET 79 2HE MET 79 -10.747 1.694 -6.980 618 HE3 MET 79 3HE MET 79 -9.109 2.345 -6.736 619 H HIS 80 H HIS 80 -4.483 -2.106 -8.666 620 HA HIS 80 HA HIS 80 -4.476 -2.866 -10.767 621 HB2 HIS 80 1HB HIS 80 -4.505 -0.069 -11.897 622 HB3 HIS 80 2HB HIS 80 -4.977 -1.566 -12.677 623 HD1 HIS 80 1HD HIS 80 -6.896 0.890 -12.525 624 HD2 HIS 80 2HD HIS 80 -6.915 -2.321 -9.826 625 HE1 HIS 80 1HE HIS 80 -9.227 0.841 -11.489 626 H ARG 81 H ARG 81 -2.305 -1.356 -8.965 627 HA ARG 81 HA ARG 81 -0.123 -2.399 -9.994 628 HB2 ARG 81 1HB ARG 81 -0.934 -0.155 -11.696 629 HB3 ARG 81 2HB ARG 81 0.645 0.154 -11.002 630 HG2 ARG 81 1HG ARG 81 1.524 -1.954 -11.873 631 HG3 ARG 81 2HG ARG 81 -0.072 -2.475 -12.374 632 HD2 ARG 81 1HD ARG 81 -0.004 -0.172 -13.772 633 HD3 ARG 81 2HD ARG 81 1.727 -0.399 -13.625 634 HE ARG 81 HE ARG 81 0.648 -2.893 -14.433 635 HH11 ARG 81 2HH2 ARG 81 0.942 0.373 -15.711 636 HH12 ARG 81 1HH2 ARG 81 0.960 -0.139 -17.365 637 HH21 ARG 81 2HH1 ARG 81 0.671 -3.568 -16.616 638 HH22 ARG 81 1HH1 ARG 81 0.804 -2.396 -17.884 639 H VAL 82 H VAL 82 1.918 -0.449 -9.645 640 HA VAL 82 HA VAL 82 1.223 0.788 -7.078 641 HB VAL 82 HB VAL 82 3.801 -0.674 -7.661 642 HG11 VAL 82 1HG1 VAL 82 4.526 0.361 -5.823 643 HG12 VAL 82 2HG1 VAL 82 2.936 1.124 -5.577 644 HG13 VAL 82 3HG1 VAL 82 3.268 -0.484 -4.889 645 HG21 VAL 82 1HG2 VAL 82 2.538 -2.542 -7.484 646 HG22 VAL 82 2HG2 VAL 82 2.589 -2.176 -5.742 647 HG23 VAL 82 3HG2 VAL 82 1.182 -1.682 -6.715 648 H ASN 83 H ASN 83 0.938 2.751 -8.360 649 HA ASN 83 HA ASN 83 3.072 3.680 -9.935 650 HB2 ASN 83 1HB ASN 83 0.425 4.699 -8.975 651 HB3 ASN 83 2HB ASN 83 1.605 5.947 -9.323 652 HD21 ASN 83 1HD2 ASN 83 1.544 6.707 -11.282 653 HD22 ASN 83 2HD2 ASN 83 1.092 5.868 -12.729 654 H THR 84 H THR 84 4.866 3.444 -8.302 655 HA THR 84 HA THR 84 5.059 4.417 -5.818 656 HB THR 84 HB THR 84 7.509 5.027 -6.642 657 HG1 THR 84 1HG THR 84 6.936 5.270 -8.880 658 HG21 THR 84 1HG2 THR 84 6.183 2.294 -6.955 659 HG22 THR 84 2HG2 THR 84 7.924 2.532 -7.239 660 HG23 THR 84 3HG2 THR 84 7.233 2.852 -5.630 661 H SER 85 H SER 85 5.371 6.438 -8.803 662 HA SER 85 HA SER 85 6.043 8.773 -7.740 663 HB2 SER 85 1HB SER 85 5.347 8.120 -10.175 664 HB3 SER 85 2HB SER 85 3.736 8.628 -9.709 665 HG SER 85 HG SER 85 5.532 10.217 -10.666 666 H LYS 86 H LYS 86 2.697 7.376 -7.816 667 HA LYS 86 HA LYS 86 1.520 9.578 -6.499 668 HB2 LYS 86 1HB LYS 86 0.593 7.446 -7.914 669 HB3 LYS 86 2HB LYS 86 0.232 6.918 -6.283 670 HG2 LYS 86 1HG LYS 86 -0.449 9.765 -6.987 671 HG3 LYS 86 2HG LYS 86 -1.444 8.507 -7.694 672 HD2 LYS 86 1HD LYS 86 -1.957 7.591 -5.461 673 HD3 LYS 86 2HD LYS 86 -0.855 8.724 -4.705 674 HE2 LYS 86 1HE LYS 86 -2.943 9.780 -4.404 675 HE3 LYS 86 2HE LYS 86 -2.321 10.588 -5.829 676 HZ1 LYS 86 1HZ LYS 86 -3.581 9.003 -7.165 677 HZ2 LYS 86 2HZ LYS 86 -4.210 8.338 -5.813 678 HZ3 LYS 86 3HZ LYS 86 -4.551 9.888 -6.195 679 H LEU 87 H LEU 87 2.299 6.220 -5.332 680 HA LEU 87 HA LEU 87 1.676 6.473 -2.739 681 HB2 LEU 87 1HB LEU 87 2.422 4.407 -3.509 682 HB3 LEU 87 2HB LEU 87 3.926 5.059 -4.128 683 HG LEU 87 HG LEU 87 4.759 5.381 -1.843 684 HD11 LEU 87 1HD1 LEU 87 3.578 4.706 0.106 685 HD12 LEU 87 2HD1 LEU 87 2.484 5.756 -0.827 686 HD13 LEU 87 3HD1 LEU 87 2.261 3.990 -0.855 687 HD21 LEU 87 1HD2 LEU 87 3.747 2.548 -2.033 688 HD22 LEU 87 2HD2 LEU 87 4.967 3.189 -3.160 689 HD23 LEU 87 3HD2 LEU 87 5.304 3.149 -1.413 690 H GLU 88 H GLU 88 5.046 7.146 -3.933 691 HA GLU 88 HA GLU 88 6.016 8.234 -1.694 692 HB2 GLU 88 1HB GLU 88 6.584 9.416 -4.440 693 HB3 GLU 88 2HB GLU 88 7.674 9.334 -3.070 694 HG2 GLU 88 1HG GLU 88 6.886 6.652 -3.485 695 HG3 GLU 88 2HG GLU 88 7.089 7.294 -5.103 696 H LYS 89 H LYS 89 4.358 10.089 -4.350 697 HA LYS 89 HA LYS 89 4.457 12.578 -3.307 698 HB2 LYS 89 1HB LYS 89 3.413 11.669 -5.496 699 HB3 LYS 89 2HB LYS 89 1.934 11.513 -4.571 700 HG2 LYS 89 1HG LYS 89 3.492 14.121 -4.541 701 HG3 LYS 89 2HG LYS 89 2.401 13.758 -5.863 702 HD2 LYS 89 1HD LYS 89 0.752 13.156 -3.781 703 HD3 LYS 89 2HD LYS 89 1.775 14.334 -2.983 704 HE2 LYS 89 1HE LYS 89 1.178 15.449 -5.539 705 HE3 LYS 89 2HE LYS 89 -0.331 14.774 -4.957 706 HZ1 LYS 89 1HZ LYS 89 -0.410 16.693 -3.855 707 HZ2 LYS 89 2HZ LYS 89 0.575 15.964 -2.775 708 HZ3 LYS 89 3HZ LYS 89 1.201 16.959 -3.909 709 H GLN 90 H GLN 90 2.043 10.002 -2.495 710 HA GLN 90 HA GLN 90 0.630 11.577 -0.707 711 HB2 GLN 90 1HB GLN 90 0.983 8.549 -0.824 712 HB3 GLN 90 2HB GLN 90 -0.215 9.360 0.165 713 HG2 GLN 90 1HG GLN 90 -0.006 9.650 -2.870 714 HG3 GLN 90 2HG GLN 90 -1.115 8.565 -2.055 715 HE21 GLN 90 1HE2 GLN 90 -0.250 11.887 -2.689 716 HE22 GLN 90 2HE2 GLN 90 -1.744 12.628 -2.219 717 H LEU 91 H LEU 91 3.191 9.060 -0.111 718 HA LEU 91 HA LEU 91 3.337 9.251 2.599 719 HB2 LEU 91 1HB LEU 91 5.525 8.812 0.567 720 HB3 LEU 91 2HB LEU 91 5.739 8.588 2.292 721 HG LEU 91 HG LEU 91 3.657 7.096 0.680 722 HD11 LEU 91 1HD1 LEU 91 5.347 5.162 0.960 723 HD12 LEU 91 2HD1 LEU 91 5.622 6.362 -0.326 724 HD13 LEU 91 3HD1 LEU 91 6.553 6.451 1.188 725 HD21 LEU 91 1HD2 LEU 91 3.223 5.843 2.544 726 HD22 LEU 91 2HD2 LEU 91 4.841 6.104 3.239 727 HD23 LEU 91 3HD2 LEU 91 3.624 7.402 3.303 728 H ARG 92 H ARG 92 5.161 11.253 0.180 729 HA ARG 92 HA ARG 92 6.652 12.745 1.730 730 HB2 ARG 92 1HB ARG 92 5.132 13.240 -0.770 731 HB3 ARG 92 2HB ARG 92 5.524 14.716 0.088 732 HG2 ARG 92 1HG ARG 92 7.942 13.870 0.237 733 HG3 ARG 92 2HG ARG 92 7.481 12.566 -0.838 734 HD2 ARG 92 1HD ARG 92 7.061 14.038 -2.662 735 HD3 ARG 92 2HD ARG 92 6.883 15.437 -1.621 736 HE ARG 92 HE ARG 92 9.199 15.742 -1.688 737 HH11 ARG 92 2HH2 ARG 92 8.460 12.434 -2.635 738 HH12 ARG 92 1HH2 ARG 92 10.094 12.057 -3.066 739 HH21 ARG 92 2HH1 ARG 92 11.356 15.244 -2.257 740 HH22 ARG 92 1HH1 ARG 92 11.753 13.666 -2.849 741 H LYS 93 H LYS 93 3.094 13.215 1.239 742 HA LYS 93 HA LYS 93 3.130 14.967 3.599 743 HB2 LYS 93 1HB LYS 93 1.759 15.252 0.956 744 HB3 LYS 93 2HB LYS 93 0.907 15.801 2.385 745 HG2 LYS 93 1HG LYS 93 3.426 16.843 2.847 746 HG3 LYS 93 2HG LYS 93 3.358 16.908 1.097 747 HD2 LYS 93 1HD LYS 93 2.445 18.994 1.828 748 HD3 LYS 93 2HD LYS 93 1.059 18.039 1.340 749 HE2 LYS 93 1HE LYS 93 1.338 17.325 4.020 750 HE3 LYS 93 2HE LYS 93 1.822 19.009 4.039 751 HZ1 LYS 93 1HZ LYS 93 -0.717 18.082 3.971 752 HZ2 LYS 93 2HZ LYS 93 -0.255 19.623 3.691 753 HZ3 LYS 93 3HZ LYS 93 -0.473 18.596 2.440 754 H LEU 94 H LEU 94 0.353 13.592 1.783 755 HA LEU 94 HA LEU 94 -1.132 12.033 2.321 756 HB2 LEU 94 1HB LEU 94 1.198 11.157 3.741 757 HB3 LEU 94 2HB LEU 94 -0.214 10.882 4.742 758 HG LEU 94 HG LEU 94 0.406 9.754 2.016 759 HD11 LEU 94 1HD1 LEU 94 1.188 8.154 3.380 760 HD12 LEU 94 2HD1 LEU 94 0.268 8.751 4.782 761 HD13 LEU 94 3HD1 LEU 94 -0.527 7.718 3.571 762 HD21 LEU 94 1HD2 LEU 94 -1.988 8.666 2.433 763 HD22 LEU 94 2HD2 LEU 94 -2.267 10.225 3.245 764 HD23 LEU 94 3HD2 LEU 94 -1.774 10.188 1.535 765 H SER 95 H SER 95 0.253 13.589 5.294 766 HA SER 95 HA SER 95 -2.407 14.614 5.791 767 HB2 SER 95 1HB SER 95 -0.821 12.817 7.627 768 HB3 SER 95 2HB SER 95 -1.823 14.066 8.338 769 HG SER 95 HG SER 95 -2.818 12.167 6.395 770 H GLY 96 H GLY 96 0.972 14.433 7.148 771 HA2 GLY 96 1HA GLY 96 1.741 17.014 6.624 772 HA3 GLY 96 2HA GLY 96 0.885 17.109 8.150 773 HA PRO 97 HA PRO 97 4.930 15.958 9.549 774 HB2 PRO 97 1HB PRO 97 4.726 17.073 12.036 775 HB3 PRO 97 2HB PRO 97 5.306 17.953 10.636 776 HG2 PRO 97 1HG PRO 97 2.685 18.144 11.991 777 HG3 PRO 97 2HG PRO 97 3.436 19.280 10.888 778 HD2 PRO 97 1HD PRO 97 1.316 17.446 10.281 779 HD3 PRO 97 2HD PRO 97 2.145 18.499 9.153 780 H SER 98 H SER 98 3.720 13.803 9.220 781 HA SER 98 HA SER 98 3.397 11.816 10.036 782 HB2 SER 98 1HB SER 98 5.097 13.047 12.061 783 HB3 SER 98 2HB SER 98 3.997 11.910 12.814 784 HG SER 98 HG SER 98 4.736 10.460 10.877 785 H SER 99 H SER 99 2.819 13.450 13.207 786 HA SER 99 HA SER 99 0.152 12.379 13.157 787 HB2 SER 99 1HB SER 99 2.078 13.294 15.204 788 HB3 SER 99 2HB SER 99 0.437 13.813 15.536 789 HG SER 99 HG SER 99 1.232 11.084 14.966 790 H GLY 100 H GLY 100 -1.764 13.741 13.613 791 HA2 GLY 100 1HA GLY 100 -1.351 16.572 12.856 792 HA3 GLY 100 2HA GLY 100 -2.647 15.589 12.205 Start of MODEL 19 1 H1 GLY 1 H GLY 1 30.531 10.581 30.593 2 HA2 GLY 1 1HA GLY 1 31.165 13.352 31.331 3 HA3 GLY 1 2HA GLY 1 32.396 12.122 31.537 4 H SER 2 H SER 2 33.119 10.867 29.618 5 HA SER 2 HA SER 2 33.544 12.557 27.460 6 HB2 SER 2 1HB SER 2 34.511 10.496 26.373 7 HB3 SER 2 2HB SER 2 35.139 10.814 27.978 8 HG SER 2 HG SER 2 34.557 8.798 28.401 9 H SER 3 H SER 3 32.616 12.648 25.362 10 HA SER 3 HA SER 3 30.532 10.768 24.754 11 HB2 SER 3 1HB SER 3 28.811 12.457 24.365 12 HB3 SER 3 2HB SER 3 29.363 12.570 26.025 13 HG SER 3 HG SER 3 29.909 14.597 25.651 14 H GLY 4 H GLY 4 31.458 10.074 22.834 15 HA2 GLY 4 1HA GLY 4 32.645 12.053 21.037 16 HA3 GLY 4 2HA GLY 4 32.770 10.308 20.935 17 H SER 5 H SER 5 30.853 9.046 20.212 18 HA SER 5 HA SER 5 29.610 10.387 18.064 19 HB2 SER 5 1HB SER 5 28.496 8.180 17.680 20 HB3 SER 5 2HB SER 5 30.235 8.040 17.850 21 HG SER 5 HG SER 5 29.314 6.417 19.127 22 H SER 6 H SER 6 27.109 10.144 17.733 23 HA SER 6 HA SER 6 25.082 10.637 18.332 24 HB2 SER 6 1HB SER 6 26.045 9.052 20.631 25 HB3 SER 6 2HB SER 6 24.745 10.145 21.063 26 HG SER 6 HG SER 6 24.732 8.062 19.064 27 H GLY 7 H GLY 7 24.645 12.812 18.302 28 HA2 GLY 7 1HA GLY 7 25.173 14.361 20.723 29 HA3 GLY 7 2HA GLY 7 25.955 14.894 19.249 30 H ASN 8 H ASN 8 24.611 15.493 17.363 31 HA ASN 8 HA ASN 8 22.118 16.605 18.300 32 HB2 ASN 8 1HB ASN 8 24.175 17.397 16.416 33 HB3 ASN 8 2HB ASN 8 22.666 17.262 15.535 34 HD21 ASN 8 1HD2 ASN 8 23.333 19.643 15.437 35 HD22 ASN 8 2HD2 ASN 8 22.621 20.700 16.609 36 H LEU 9 H LEU 9 20.150 15.672 17.686 37 HA LEU 9 HA LEU 9 20.221 13.852 15.381 38 HB2 LEU 9 1HB LEU 9 18.687 12.388 16.517 39 HB3 LEU 9 2HB LEU 9 20.165 12.575 17.439 40 HG LEU 9 HG LEU 9 18.687 14.470 18.650 41 HD11 LEU 9 1HD1 LEU 9 16.391 13.825 18.900 42 HD12 LEU 9 2HD1 LEU 9 16.739 14.006 17.164 43 HD13 LEU 9 3HD1 LEU 9 16.631 12.382 17.885 44 HD21 LEU 9 1HD2 LEU 9 18.685 11.500 19.246 45 HD22 LEU 9 2HD2 LEU 9 19.847 12.719 19.821 46 HD23 LEU 9 3HD2 LEU 9 18.158 12.764 20.383 47 H SER 10 H SER 10 18.250 16.025 17.492 48 HA SER 10 HA SER 10 16.409 17.131 17.111 49 HB2 SER 10 1HB SER 10 17.743 17.494 14.394 50 HB3 SER 10 2HB SER 10 16.356 18.427 14.920 51 HG SER 10 HG SER 10 17.566 19.494 16.426 52 H ALA 11 H ALA 11 14.860 15.409 17.268 53 HA ALA 11 HA ALA 11 13.780 14.603 14.660 54 HB1 ALA 11 1HB ALA 11 13.739 12.377 15.238 55 HB2 ALA 11 2HB ALA 11 15.174 12.871 16.169 56 HB3 ALA 11 3HB ALA 11 13.597 12.720 16.979 57 H SER 12 H SER 12 11.426 13.849 14.901 58 HA SER 12 HA SER 12 10.133 14.988 17.205 59 HB2 SER 12 1HB SER 12 8.514 16.260 15.712 60 HB3 SER 12 2HB SER 12 10.130 16.933 15.799 61 HG SER 12 HG SER 12 8.801 16.250 13.595 62 H ASN 13 H ASN 13 9.230 13.009 17.811 63 HA ASN 13 HA ASN 13 7.938 11.270 17.776 64 HB2 ASN 13 1HB ASN 13 6.341 13.178 16.777 65 HB3 ASN 13 2HB ASN 13 6.453 12.229 15.309 66 HD21 ASN 13 1HD2 ASN 13 5.643 12.119 18.741 67 HD22 ASN 13 2HD2 ASN 13 4.509 10.812 18.673 68 H ARG 14 H ARG 14 7.071 9.358 16.217 69 HA ARG 14 HA ARG 14 8.404 9.198 13.727 70 HB2 ARG 14 1HB ARG 14 9.639 8.020 16.142 71 HB3 ARG 14 2HB ARG 14 9.365 6.821 14.894 72 HG2 ARG 14 1HG ARG 14 10.768 7.913 13.336 73 HG3 ARG 14 2HG ARG 14 10.600 9.472 14.119 74 HD2 ARG 14 1HD ARG 14 12.048 8.822 15.950 75 HD3 ARG 14 2HD ARG 14 11.991 7.132 15.491 76 HE ARG 14 HE ARG 14 13.019 8.722 13.307 77 HH11 ARG 14 2HH2 ARG 14 13.930 7.387 16.433 78 HH12 ARG 14 1HH2 ARG 14 15.620 7.327 16.057 79 HH21 ARG 14 2HH1 ARG 14 15.248 8.644 12.812 80 HH22 ARG 14 1HH1 ARG 14 16.375 8.047 13.984 81 H ALA 15 H ALA 15 6.266 8.768 12.940 82 HA ALA 15 HA ALA 15 5.336 6.068 13.552 83 HB1 ALA 15 1HB ALA 15 4.008 8.591 14.259 84 HB2 ALA 15 2HB ALA 15 2.989 7.534 13.253 85 HB3 ALA 15 3HB ALA 15 3.655 6.929 14.789 86 H LEU 16 H LEU 16 4.923 4.951 11.700 87 HA LEU 16 HA LEU 16 4.885 6.524 9.235 88 HB2 LEU 16 1HB LEU 16 5.340 3.562 9.607 89 HB3 LEU 16 2HB LEU 16 5.528 4.480 8.126 90 HG LEU 16 HG LEU 16 7.200 4.867 10.624 91 HD11 LEU 16 1HD1 LEU 16 7.351 2.876 8.546 92 HD12 LEU 16 2HD1 LEU 16 8.792 3.921 8.505 93 HD13 LEU 16 3HD1 LEU 16 8.350 3.074 10.007 94 HD21 LEU 16 1HD2 LEU 16 8.114 6.668 9.689 95 HD22 LEU 16 2HD2 LEU 16 8.299 5.857 8.115 96 HD23 LEU 16 3HD2 LEU 16 6.758 6.643 8.536 97 HA PRO 17 HA PRO 17 0.754 5.509 8.512 98 HB2 PRO 17 1HB PRO 17 0.619 5.451 5.784 99 HB3 PRO 17 2HB PRO 17 0.625 6.938 6.711 100 HG2 PRO 17 1HG PRO 17 2.808 5.737 5.120 101 HG3 PRO 17 2HG PRO 17 2.644 7.386 5.690 102 HD2 PRO 17 1HD PRO 17 4.336 5.349 6.793 103 HD3 PRO 17 2HD PRO 17 4.085 6.961 7.431 104 H VAL 18 H VAL 18 -0.876 3.996 7.531 105 HA VAL 18 HA VAL 18 0.438 1.371 7.422 106 HB VAL 18 HB VAL 18 -2.295 2.227 8.382 107 HG11 VAL 18 1HG1 VAL 18 -2.735 -0.132 8.877 108 HG12 VAL 18 2HG1 VAL 18 -2.473 0.114 7.134 109 HG13 VAL 18 3HG1 VAL 18 -1.181 -0.588 8.138 110 HG21 VAL 18 1HG2 VAL 18 -1.360 0.962 10.472 111 HG22 VAL 18 2HG2 VAL 18 0.224 1.268 9.719 112 HG23 VAL 18 3HG2 VAL 18 -0.838 2.632 10.143 113 H LEU 19 H LEU 19 0.655 0.692 5.352 114 HA LEU 19 HA LEU 19 -1.361 1.556 3.430 115 HB2 LEU 19 1HB LEU 19 1.002 1.966 2.936 116 HB3 LEU 19 2HB LEU 19 1.336 0.250 3.048 117 HG LEU 19 HG LEU 19 -0.550 0.125 1.162 118 HD11 LEU 19 1HD1 LEU 19 -0.958 2.586 1.269 119 HD12 LEU 19 2HD1 LEU 19 0.686 2.839 0.635 120 HD13 LEU 19 3HD1 LEU 19 -0.526 1.984 -0.350 121 HD21 LEU 19 1HD2 LEU 19 1.727 0.845 -0.319 122 HD22 LEU 19 2HD2 LEU 19 2.335 0.180 1.216 123 HD23 LEU 19 3HD2 LEU 19 1.233 -0.783 0.203 124 H THR 20 H THR 20 -3.108 0.268 3.216 125 HA THR 20 HA THR 20 -2.891 -2.529 3.938 126 HB THR 20 HB THR 20 -5.320 -1.050 2.838 127 HG1 THR 20 1HG THR 20 -4.079 -1.146 5.497 128 HG21 THR 20 1HG2 THR 20 -5.786 -3.384 3.312 129 HG22 THR 20 2HG2 THR 20 -4.835 -3.330 4.816 130 HG23 THR 20 3HG2 THR 20 -6.388 -2.468 4.714 131 H LEU 21 H LEU 21 -1.934 -3.865 2.523 132 HA LEU 21 HA LEU 21 -2.452 -3.397 -0.312 133 HB2 LEU 21 1HB LEU 21 -0.165 -3.545 0.098 134 HB3 LEU 21 2HB LEU 21 -0.345 -4.864 1.237 135 HG LEU 21 HG LEU 21 -0.934 -6.390 -0.609 136 HD11 LEU 21 1HD1 LEU 21 -0.261 -5.377 -2.964 137 HD12 LEU 21 2HD1 LEU 21 -1.917 -5.255 -2.326 138 HD13 LEU 21 3HD1 LEU 21 -0.810 -3.867 -2.199 139 HD21 LEU 21 1HD2 LEU 21 1.260 -6.747 -0.306 140 HD22 LEU 21 2HD2 LEU 21 1.436 -5.902 -1.863 141 HD23 LEU 21 3HD2 LEU 21 1.655 -5.012 -0.337 142 H PHE 22 H PHE 22 -4.026 -4.515 -1.318 143 HA PHE 22 HA PHE 22 -4.958 -6.951 0.012 144 HB2 PHE 22 1HB PHE 22 -6.146 -5.020 -2.069 145 HB3 PHE 22 2HB PHE 22 -6.979 -6.463 -1.526 146 HD1 PHE 22 1HD PHE 22 -7.280 -6.644 1.096 147 HD2 PHE 22 2HD PHE 22 -6.594 -3.020 -1.002 148 HE1 PHE 22 1HE PHE 22 -8.276 -5.352 3.003 149 HE2 PHE 22 2HE PHE 22 -7.590 -1.727 0.905 150 HZ PHE 22 HZ PHE 22 -8.420 -2.909 2.884 151 H THR 23 H THR 23 -3.753 -8.649 -0.806 152 HA THR 23 HA THR 23 -3.728 -8.878 -3.745 153 HB THR 23 HB THR 23 -1.458 -8.453 -3.032 154 HG1 THR 23 1HG THR 23 -1.879 -11.351 -2.936 155 HG21 THR 23 1HG2 THR 23 -0.742 -10.529 -1.295 156 HG22 THR 23 2HG2 THR 23 -0.966 -8.829 -0.818 157 HG23 THR 23 3HG2 THR 23 -2.306 -9.987 -0.641 158 H LYS 24 H LYS 24 -3.257 -11.331 -4.338 159 HA LYS 24 HA LYS 24 -4.611 -13.120 -2.516 160 HB2 LYS 24 1HB LYS 24 -6.257 -13.821 -4.251 161 HB3 LYS 24 2HB LYS 24 -6.532 -12.213 -3.611 162 HG2 LYS 24 1HG LYS 24 -5.838 -11.147 -5.588 163 HG3 LYS 24 2HG LYS 24 -4.808 -12.479 -6.075 164 HD2 LYS 24 1HD LYS 24 -7.569 -13.397 -5.904 165 HD3 LYS 24 2HD LYS 24 -7.492 -11.960 -6.903 166 HE2 LYS 24 1HE LYS 24 -5.821 -12.968 -8.369 167 HE3 LYS 24 2HE LYS 24 -5.603 -14.326 -7.283 168 HZ1 LYS 24 1HZ LYS 24 -8.100 -13.690 -8.696 169 HZ2 LYS 24 2HZ LYS 24 -7.047 -14.864 -9.118 170 HZ3 LYS 24 3HZ LYS 24 -7.868 -14.972 -7.711 171 H ALA 25 H ALA 25 -4.900 -15.334 -4.096 172 HA ALA 25 HA ALA 25 -2.400 -15.622 -5.569 173 HB1 ALA 25 1HB ALA 25 -1.698 -17.527 -4.294 174 HB2 ALA 25 2HB ALA 25 -2.065 -16.241 -3.119 175 HB3 ALA 25 3HB ALA 25 -3.226 -17.564 -3.382 176 HA PRO 26 HA PRO 26 -1.600 -16.732 -6.769 177 HB2 PRO 26 1HB PRO 26 -1.408 -16.810 -9.494 178 HB3 PRO 26 2HB PRO 26 -1.104 -18.200 -8.472 179 HG2 PRO 26 1HG PRO 26 -3.458 -17.623 -10.164 180 HG3 PRO 26 2HG PRO 26 -2.942 -19.155 -9.486 181 HD2 PRO 26 1HD PRO 26 -5.078 -17.491 -8.539 182 HD3 PRO 26 2HD PRO 26 -4.487 -18.963 -7.794 183 H CYS 27 H CYS 27 -0.328 -14.940 -7.771 184 HA CYS 27 HA CYS 27 -2.013 -12.853 -8.809 185 HB2 CYS 27 1HB CYS 27 -1.373 -11.191 -7.109 186 HB3 CYS 27 2HB CYS 27 -2.343 -12.483 -6.430 187 HG CYS 27 HG CYS 27 0.212 -13.854 -6.124 188 HA PRO 28 HA PRO 28 2.058 -12.855 -10.631 189 HB2 PRO 28 1HB PRO 28 1.299 -11.956 -13.097 190 HB3 PRO 28 2HB PRO 28 1.350 -13.655 -12.671 191 HG2 PRO 28 1HG PRO 28 -1.001 -11.889 -12.971 192 HG3 PRO 28 2HG PRO 28 -0.937 -13.640 -12.969 193 HD2 PRO 28 1HD PRO 28 -1.809 -11.952 -10.821 194 HD3 PRO 28 2HD PRO 28 -1.635 -13.695 -10.779 195 H LEU 29 H LEU 29 -0.273 -10.321 -10.421 196 HA LEU 29 HA LEU 29 1.748 -8.332 -10.994 197 HB2 LEU 29 1HB LEU 29 -1.024 -7.755 -10.012 198 HB3 LEU 29 2HB LEU 29 0.018 -6.784 -11.034 199 HG LEU 29 HG LEU 29 -1.500 -9.286 -11.806 200 HD11 LEU 29 1HD1 LEU 29 -1.994 -6.423 -12.032 201 HD12 LEU 29 2HD1 LEU 29 -2.065 -7.252 -13.605 202 HD13 LEU 29 3HD1 LEU 29 -3.096 -7.802 -12.262 203 HD21 LEU 29 1HD2 LEU 29 -0.028 -9.711 -13.406 204 HD22 LEU 29 2HD2 LEU 29 -0.307 -8.091 -14.087 205 HD23 LEU 29 3HD2 LEU 29 0.977 -8.340 -12.880 206 H CYS 30 H CYS 30 -0.565 -8.916 -8.246 207 HA CYS 30 HA CYS 30 0.513 -7.286 -6.426 208 HB2 CYS 30 1HB CYS 30 -0.411 -10.102 -5.777 209 HB3 CYS 30 2HB CYS 30 -0.394 -8.723 -4.696 210 HG CYS 30 HG CYS 30 -2.217 -9.399 -7.343 211 H ASP 31 H ASP 31 1.859 -10.298 -7.739 212 HA ASP 31 HA ASP 31 3.678 -10.856 -5.750 213 HB2 ASP 31 1HB ASP 31 3.223 -11.570 -8.569 214 HB3 ASP 31 2HB ASP 31 4.934 -11.522 -8.193 215 H GLU 32 H GLU 32 3.984 -8.950 -8.840 216 HA GLU 32 HA GLU 32 6.635 -8.184 -8.283 217 HB2 GLU 32 1HB GLU 32 5.154 -8.262 -10.541 218 HB3 GLU 32 2HB GLU 32 4.926 -6.569 -10.152 219 HG2 GLU 32 1HG GLU 32 7.026 -6.056 -10.841 220 HG3 GLU 32 2HG GLU 32 7.727 -7.264 -9.783 221 H ALA 33 H ALA 33 3.418 -6.525 -8.077 222 HA ALA 33 HA ALA 33 4.047 -4.027 -7.436 223 HB1 ALA 33 1HB ALA 33 1.812 -4.198 -7.186 224 HB2 ALA 33 2HB ALA 33 1.918 -5.919 -6.744 225 HB3 ALA 33 3HB ALA 33 2.140 -4.666 -5.500 226 H LYS 34 H LYS 34 3.951 -6.710 -4.978 227 HA LYS 34 HA LYS 34 4.831 -5.310 -2.825 228 HB2 LYS 34 1HB LYS 34 5.318 -8.175 -3.662 229 HB3 LYS 34 2HB LYS 34 5.835 -7.551 -2.108 230 HG2 LYS 34 1HG LYS 34 3.533 -6.941 -1.514 231 HG3 LYS 34 2HG LYS 34 2.964 -7.338 -3.123 232 HD2 LYS 34 1HD LYS 34 3.843 -9.735 -2.692 233 HD3 LYS 34 2HD LYS 34 4.037 -9.261 -1.016 234 HE2 LYS 34 1HE LYS 34 1.480 -8.406 -1.398 235 HE3 LYS 34 2HE LYS 34 1.515 -9.689 -2.592 236 HZ1 LYS 34 1HZ LYS 34 1.097 -10.982 -0.859 237 HZ2 LYS 34 2HZ LYS 34 2.676 -10.830 -0.468 238 HZ3 LYS 34 3HZ LYS 34 1.561 -9.876 0.249 239 H GLU 35 H GLU 35 6.868 -6.921 -5.356 240 HA GLU 35 HA GLU 35 9.286 -6.284 -4.259 241 HB2 GLU 35 1HB GLU 35 8.724 -6.314 -7.250 242 HB3 GLU 35 2HB GLU 35 10.221 -6.738 -6.443 243 HG2 GLU 35 1HG GLU 35 8.710 -8.546 -5.204 244 HG3 GLU 35 2HG GLU 35 7.626 -8.295 -6.558 245 H VAL 36 H VAL 36 6.920 -4.237 -5.871 246 HA VAL 36 HA VAL 36 8.817 -2.152 -6.448 247 HB VAL 36 HB VAL 36 5.799 -2.049 -6.469 248 HG11 VAL 36 1HG1 VAL 36 5.988 -0.169 -7.835 249 HG12 VAL 36 2HG1 VAL 36 7.307 0.063 -6.663 250 HG13 VAL 36 3HG1 VAL 36 7.665 -0.545 -8.297 251 HG21 VAL 36 1HG2 VAL 36 5.723 -2.952 -8.617 252 HG22 VAL 36 2HG2 VAL 36 7.461 -2.693 -8.900 253 HG23 VAL 36 3HG2 VAL 36 6.921 -3.983 -7.799 254 H LEU 37 H LEU 37 7.067 -3.314 -3.707 255 HA LEU 37 HA LEU 37 7.220 -0.678 -2.437 256 HB2 LEU 37 1HB LEU 37 5.649 -3.163 -1.756 257 HB3 LEU 37 2HB LEU 37 5.762 -1.767 -0.704 258 HG LEU 37 HG LEU 37 4.373 -2.034 -3.356 259 HD11 LEU 37 1HD1 LEU 37 2.980 -2.498 -1.500 260 HD12 LEU 37 2HD1 LEU 37 3.583 -1.088 -0.595 261 HD13 LEU 37 3HD1 LEU 37 2.565 -0.852 -2.036 262 HD21 LEU 37 1HD2 LEU 37 5.730 -0.071 -3.673 263 HD22 LEU 37 2HD2 LEU 37 4.046 0.427 -3.385 264 HD23 LEU 37 3HD2 LEU 37 5.251 0.571 -2.084 265 H GLN 38 H GLN 38 9.111 -3.346 -2.960 266 HA GLN 38 HA GLN 38 9.925 -4.217 -0.532 267 HB2 GLN 38 1HB GLN 38 10.978 -4.165 -3.251 268 HB3 GLN 38 2HB GLN 38 12.284 -3.990 -2.097 269 HG2 GLN 38 1HG GLN 38 10.488 -6.013 -1.090 270 HG3 GLN 38 2HG GLN 38 10.805 -6.373 -2.775 271 HE21 GLN 38 1HE2 GLN 38 13.359 -5.303 -3.045 272 HE22 GLN 38 2HE2 GLN 38 14.494 -6.241 -2.132 273 HA PRO 39 HA PRO 39 12.878 -0.513 -0.290 274 HB2 PRO 39 1HB PRO 39 12.666 1.531 -2.092 275 HB3 PRO 39 2HB PRO 39 13.808 0.214 -2.268 276 HG2 PRO 39 1HG PRO 39 11.278 0.681 -3.724 277 HG3 PRO 39 2HG PRO 39 12.619 -0.360 -4.159 278 HD2 PRO 39 1HD PRO 39 10.100 -1.177 -3.057 279 HD3 PRO 39 2HD PRO 39 11.483 -2.202 -3.383 280 H TYR 40 H TYR 40 9.647 -0.578 -0.426 281 HA TYR 40 HA TYR 40 9.484 1.937 1.096 282 HB2 TYR 40 1HB TYR 40 7.466 0.399 -0.658 283 HB3 TYR 40 2HB TYR 40 7.066 1.857 0.228 284 HD1 TYR 40 1HD TYR 40 7.884 4.050 -0.514 285 HD2 TYR 40 2HD TYR 40 8.826 0.488 -2.689 286 HE1 TYR 40 1HE TYR 40 8.617 5.451 -2.505 287 HE2 TYR 40 2HE TYR 40 9.555 1.901 -4.673 288 HH TYR 40 HH TYR 40 8.735 5.026 -5.057 289 H LYS 41 H LYS 41 9.913 -1.170 1.690 290 HA LYS 41 HA LYS 41 7.593 -1.898 3.139 291 HB2 LYS 41 1HB LYS 41 10.426 -2.957 3.061 292 HB3 LYS 41 2HB LYS 41 9.184 -3.654 4.082 293 HG2 LYS 41 1HG LYS 41 7.727 -3.898 1.989 294 HG3 LYS 41 2HG LYS 41 9.116 -3.406 1.040 295 HD2 LYS 41 1HD LYS 41 9.067 -5.804 2.935 296 HD3 LYS 41 2HD LYS 41 8.870 -5.904 1.197 297 HE2 LYS 41 1HE LYS 41 11.161 -6.297 1.353 298 HE3 LYS 41 2HE LYS 41 11.175 -4.556 1.158 299 HZ1 LYS 41 1HZ LYS 41 12.144 -5.997 3.282 300 HZ2 LYS 41 2HZ LYS 41 12.064 -4.371 3.147 301 HZ3 LYS 41 3HZ LYS 41 10.845 -5.192 3.860 302 H ASP 42 H ASP 42 10.853 -0.627 4.096 303 HA ASP 42 HA ASP 42 10.085 -0.455 6.799 304 HB2 ASP 42 1HB ASP 42 12.465 -0.158 5.238 305 HB3 ASP 42 2HB ASP 42 12.254 1.359 6.090 306 H ARG 43 H ARG 43 9.510 1.421 3.946 307 HA ARG 43 HA ARG 43 9.601 3.981 4.989 308 HB2 ARG 43 1HB ARG 43 8.242 2.652 2.640 309 HB3 ARG 43 2HB ARG 43 7.740 4.279 3.054 310 HG2 ARG 43 1HG ARG 43 10.676 3.542 2.703 311 HG3 ARG 43 2HG ARG 43 9.679 4.041 1.351 312 HD2 ARG 43 1HD ARG 43 10.532 6.114 1.990 313 HD3 ARG 43 2HD ARG 43 9.068 6.094 2.952 314 HE ARG 43 HE ARG 43 11.307 4.858 4.351 315 HH11 ARG 43 2HH2 ARG 43 9.804 7.940 3.560 316 HH12 ARG 43 1HH2 ARG 43 10.475 8.764 4.929 317 HH21 ARG 43 2HH1 ARG 43 12.192 5.944 6.157 318 HH22 ARG 43 1HH1 ARG 43 11.842 7.620 6.415 319 H PHE 44 H PHE 44 6.920 1.560 4.688 320 HA PHE 44 HA PHE 44 5.556 2.932 6.856 321 HB2 PHE 44 1HB PHE 44 3.407 2.610 5.401 322 HB3 PHE 44 2HB PHE 44 4.479 3.907 4.913 323 HD1 PHE 44 1HD PHE 44 4.206 0.227 4.285 324 HD2 PHE 44 2HD PHE 44 4.794 4.098 2.648 325 HE1 PHE 44 1HE PHE 44 4.365 -0.769 1.986 326 HE2 PHE 44 2HE PHE 44 4.953 3.102 0.350 327 HZ PHE 44 HZ PHE 44 4.737 0.680 0.046 328 H ILE 45 H ILE 45 3.292 1.498 7.136 329 HA ILE 45 HA ILE 45 4.337 -1.193 7.541 330 HB ILE 45 HB ILE 45 2.008 0.321 8.712 331 HG12 ILE 45 1HG1 ILE 45 4.161 -0.868 10.379 332 HG13 ILE 45 2HG1 ILE 45 4.624 0.495 9.380 333 HG21 ILE 45 1HG2 ILE 45 1.005 -1.597 9.189 334 HG22 ILE 45 2HG2 ILE 45 2.313 -2.517 8.409 335 HG23 ILE 45 3HG2 ILE 45 2.433 -2.086 10.132 336 HD11 ILE 45 1HD1 ILE 45 2.705 0.388 11.681 337 HD12 ILE 45 2HD1 ILE 45 3.853 1.667 11.217 338 HD13 ILE 45 3HD1 ILE 45 2.307 1.500 10.350 339 H LEU 46 H LEU 46 4.124 -2.348 5.658 340 HA LEU 46 HA LEU 46 1.817 -1.997 4.006 341 HB2 LEU 46 1HB LEU 46 4.109 -2.477 3.176 342 HB3 LEU 46 2HB LEU 46 4.005 -4.075 3.888 343 HG LEU 46 HG LEU 46 2.052 -4.571 2.419 344 HD11 LEU 46 1HD1 LEU 46 2.243 -2.768 0.344 345 HD12 LEU 46 2HD1 LEU 46 0.960 -2.815 1.577 346 HD13 LEU 46 3HD1 LEU 46 2.355 -1.729 1.785 347 HD21 LEU 46 1HD2 LEU 46 4.693 -4.765 1.869 348 HD22 LEU 46 2HD2 LEU 46 3.402 -5.371 0.803 349 HD23 LEU 46 3HD2 LEU 46 4.149 -3.787 0.485 350 H GLN 47 H GLN 47 -0.131 -2.656 4.776 351 HA GLN 47 HA GLN 47 -0.179 -5.069 6.362 352 HB2 GLN 47 1HB GLN 47 -1.433 -2.786 6.845 353 HB3 GLN 47 2HB GLN 47 -2.619 -3.404 5.713 354 HG2 GLN 47 1HG GLN 47 -2.497 -5.609 7.170 355 HG3 GLN 47 2HG GLN 47 -1.777 -4.570 8.384 356 HE21 GLN 47 1HE2 GLN 47 -3.197 -4.016 9.838 357 HE22 GLN 47 2HE2 GLN 47 -4.839 -3.531 9.578 358 H GLU 48 H GLU 48 -0.036 -6.856 5.010 359 HA GLU 48 HA GLU 48 -1.413 -6.839 2.521 360 HB2 GLU 48 1HB GLU 48 0.533 -8.573 3.934 361 HB3 GLU 48 2HB GLU 48 -0.611 -9.461 2.947 362 HG2 GLU 48 1HG GLU 48 0.234 -8.631 0.972 363 HG3 GLU 48 2HG GLU 48 0.501 -7.031 1.634 364 H VAL 49 H VAL 49 -3.627 -6.971 2.547 365 HA VAL 49 HA VAL 49 -4.871 -8.647 4.577 366 HB VAL 49 HB VAL 49 -5.951 -6.649 2.583 367 HG11 VAL 49 1HG1 VAL 49 -7.312 -8.682 4.245 368 HG12 VAL 49 2HG1 VAL 49 -7.972 -7.034 4.375 369 HG13 VAL 49 3HG1 VAL 49 -7.868 -7.827 2.785 370 HG21 VAL 49 1HG2 VAL 49 -5.043 -6.510 5.396 371 HG22 VAL 49 2HG2 VAL 49 -5.146 -5.238 4.155 372 HG23 VAL 49 3HG2 VAL 49 -6.602 -5.718 5.060 373 H ASP 50 H ASP 50 -5.851 -10.592 4.144 374 HA ASP 50 HA ASP 50 -5.400 -11.600 1.490 375 HB2 ASP 50 1HB ASP 50 -5.911 -12.721 4.206 376 HB3 ASP 50 2HB ASP 50 -6.642 -13.634 2.901 377 H ILE 51 H ILE 51 -7.060 -10.972 0.065 378 HA ILE 51 HA ILE 51 -9.758 -10.736 1.048 379 HB ILE 51 HB ILE 51 -10.226 -10.022 -1.277 380 HG12 ILE 51 1HG1 ILE 51 -7.265 -10.021 -1.809 381 HG13 ILE 51 2HG1 ILE 51 -8.215 -11.454 -2.151 382 HG21 ILE 51 1HG2 ILE 51 -7.867 -8.438 -0.318 383 HG22 ILE 51 2HG2 ILE 51 -9.440 -7.884 -0.939 384 HG23 ILE 51 3HG2 ILE 51 -9.321 -8.565 0.701 385 HD11 ILE 51 1HD1 ILE 51 -9.845 -9.695 -3.344 386 HD12 ILE 51 2HD1 ILE 51 -8.352 -8.729 -3.428 387 HD13 ILE 51 3HD1 ILE 51 -8.414 -10.339 -4.185 388 H THR 52 H THR 52 -7.740 -13.255 -0.004 389 HA THR 52 HA THR 52 -9.732 -14.723 -1.467 390 HB THR 52 HB THR 52 -7.957 -16.330 -1.700 391 HG1 THR 52 1HG THR 52 -6.821 -14.879 0.587 392 HG21 THR 52 1HG2 THR 52 -7.388 -13.672 -2.267 393 HG22 THR 52 2HG2 THR 52 -6.061 -14.097 -1.160 394 HG23 THR 52 3HG2 THR 52 -6.307 -15.031 -2.655 395 H LEU 53 H LEU 53 -9.528 -13.863 1.739 396 HA LEU 53 HA LEU 53 -10.306 -16.446 2.785 397 HB2 LEU 53 1HB LEU 53 -9.707 -13.747 3.941 398 HB3 LEU 53 2HB LEU 53 -10.598 -14.922 4.886 399 HG LEU 53 HG LEU 53 -7.848 -15.379 3.696 400 HD11 LEU 53 1HD1 LEU 53 -8.753 -14.411 6.391 401 HD12 LEU 53 2HD1 LEU 53 -7.259 -15.367 6.234 402 HD13 LEU 53 3HD1 LEU 53 -7.428 -13.827 5.356 403 HD21 LEU 53 1HD2 LEU 53 -8.626 -17.517 3.889 404 HD22 LEU 53 2HD2 LEU 53 -8.005 -17.273 5.539 405 HD23 LEU 53 3HD2 LEU 53 -9.747 -17.116 5.212 406 HA PRO 54 HA PRO 54 -14.558 -15.749 2.581 407 HB2 PRO 54 1HB PRO 54 -15.517 -16.971 4.829 408 HB3 PRO 54 2HB PRO 54 -15.047 -17.849 3.388 409 HG2 PRO 54 1HG PRO 54 -13.613 -17.608 5.961 410 HG3 PRO 54 2HG PRO 54 -13.391 -18.791 4.688 411 HD2 PRO 54 1HD PRO 54 -11.711 -16.533 5.244 412 HD3 PRO 54 2HD PRO 54 -11.557 -17.649 3.902 413 H GLU 55 H GLU 55 -13.175 -14.867 5.672 414 HA GLU 55 HA GLU 55 -15.358 -13.210 6.322 415 HB2 GLU 55 1HB GLU 55 -13.976 -12.489 8.204 416 HB3 GLU 55 2HB GLU 55 -13.829 -14.224 8.012 417 HG2 GLU 55 1HG GLU 55 -11.723 -13.727 6.572 418 HG3 GLU 55 2HG GLU 55 -11.823 -12.088 7.183 419 H ASN 56 H ASN 56 -12.431 -12.865 4.389 420 HA ASN 56 HA ASN 56 -12.779 -9.987 4.376 421 HB2 ASN 56 1HB ASN 56 -10.573 -11.744 3.176 422 HB3 ASN 56 2HB ASN 56 -10.574 -9.992 3.151 423 HD21 ASN 56 1HD2 ASN 56 -8.708 -11.898 4.353 424 HD22 ASN 56 2HD2 ASN 56 -8.589 -11.508 6.037 425 H SER 57 H SER 57 -14.186 -12.529 2.906 426 HA SER 57 HA SER 57 -13.719 -12.402 0.244 427 HB2 SER 57 1HB SER 57 -15.245 -14.002 1.480 428 HB3 SER 57 2HB SER 57 -16.456 -12.737 1.546 429 HG SER 57 HG SER 57 -15.936 -12.731 -0.975 430 H THR 58 H THR 58 -15.158 -9.995 2.332 431 HA THR 58 HA THR 58 -16.725 -8.662 0.378 432 HB THR 58 HB THR 58 -15.575 -7.992 3.122 433 HG1 THR 58 1HG THR 58 -18.191 -8.399 1.851 434 HG21 THR 58 1HG2 THR 58 -16.633 -5.884 3.119 435 HG22 THR 58 2HG2 THR 58 -15.985 -5.931 1.461 436 HG23 THR 58 3HG2 THR 58 -17.697 -6.314 1.759 437 H TRP 59 H TRP 59 -13.407 -8.060 1.702 438 HA TRP 59 HA TRP 59 -12.865 -5.818 0.192 439 HB2 TRP 59 1HB TRP 59 -11.179 -7.962 1.434 440 HB3 TRP 59 2HB TRP 59 -10.431 -6.753 0.409 441 HD1 TRP 59 HD TRP 59 -11.532 -7.248 3.939 442 HE1 TRP 59 1HE TRP 59 -11.368 -5.051 5.392 443 HE3 TRP 59 3HE TRP 59 -10.865 -4.078 0.020 444 HZ2 TRP 59 2HZ TRP 59 -10.987 -2.296 4.753 445 HZ3 TRP 59 3HZ TRP 59 -10.605 -1.650 0.521 446 HH2 TRP 59 HH TRP 59 -10.657 -0.746 2.791 447 H TYR 60 H TYR 60 -13.050 -9.258 -0.657 448 HA TYR 60 HA TYR 60 -11.667 -8.929 -3.152 449 HB2 TYR 60 1HB TYR 60 -11.939 -11.012 -1.568 450 HB3 TYR 60 2HB TYR 60 -13.587 -11.116 -2.154 451 HD1 TYR 60 1HD TYR 60 -14.049 -11.739 -4.509 452 HD2 TYR 60 2HD TYR 60 -10.068 -11.700 -2.944 453 HE1 TYR 60 1HE TYR 60 -13.252 -13.130 -6.483 454 HE2 TYR 60 2HE TYR 60 -9.284 -13.091 -4.923 455 HH TYR 60 HH TYR 60 -10.469 -14.786 -6.511 456 H GLU 61 H GLU 61 -15.099 -9.573 -2.138 457 HA GLU 61 HA GLU 61 -16.162 -9.579 -4.648 458 HB2 GLU 61 1HB GLU 61 -17.316 -8.752 -1.961 459 HB3 GLU 61 2HB GLU 61 -18.301 -8.782 -3.410 460 HG2 GLU 61 1HG GLU 61 -16.672 -11.240 -2.993 461 HG3 GLU 61 2HG GLU 61 -17.869 -10.954 -1.745 462 H ARG 62 H ARG 62 -14.740 -6.951 -2.893 463 HA ARG 62 HA ARG 62 -16.155 -5.034 -4.543 464 HB2 ARG 62 1HB ARG 62 -15.354 -3.329 -2.992 465 HB3 ARG 62 2HB ARG 62 -15.993 -4.654 -2.040 466 HG2 ARG 62 1HG ARG 62 -13.766 -5.504 -1.563 467 HG3 ARG 62 2HG ARG 62 -13.035 -4.436 -2.745 468 HD2 ARG 62 1HD ARG 62 -14.270 -3.692 -0.065 469 HD3 ARG 62 2HD ARG 62 -12.629 -3.408 -0.611 470 HE ARG 62 HE ARG 62 -14.048 -1.988 -2.461 471 HH11 ARG 62 2HH2 ARG 62 -14.263 -2.097 1.049 472 HH12 ARG 62 1HH2 ARG 62 -14.822 -0.464 1.194 473 HH21 ARG 62 2HH1 ARG 62 -14.786 0.167 -2.271 474 HH22 ARG 62 1HH1 ARG 62 -15.122 0.832 -0.708 475 H TYR 63 H TYR 63 -13.003 -6.537 -3.894 476 HA TYR 63 HA TYR 63 -11.934 -5.145 -6.232 477 HB2 TYR 63 1HB TYR 63 -10.728 -5.486 -3.417 478 HB3 TYR 63 2HB TYR 63 -9.765 -4.990 -4.794 479 HD1 TYR 63 1HD TYR 63 -11.439 -3.042 -6.177 480 HD2 TYR 63 2HD TYR 63 -10.912 -3.669 -1.978 481 HE1 TYR 63 1HE TYR 63 -12.059 -0.617 -5.730 482 HE2 TYR 63 2HE TYR 63 -11.534 -1.242 -1.545 483 HH TYR 63 HH TYR 63 -11.549 1.062 -3.905 484 H LYS 64 H LYS 64 -12.513 -7.305 -7.168 485 HA LYS 64 HA LYS 64 -10.478 -9.293 -6.429 486 HB2 LYS 64 1HB LYS 64 -12.060 -11.016 -7.180 487 HB3 LYS 64 2HB LYS 64 -12.690 -10.086 -5.836 488 HG2 LYS 64 1HG LYS 64 -13.886 -8.606 -7.581 489 HG3 LYS 64 2HG LYS 64 -13.433 -9.801 -8.780 490 HD2 LYS 64 1HD LYS 64 -14.780 -11.497 -7.796 491 HD3 LYS 64 2HD LYS 64 -14.848 -10.682 -6.246 492 HE2 LYS 64 1HE LYS 64 -16.074 -8.763 -7.628 493 HE3 LYS 64 2HE LYS 64 -16.368 -10.044 -8.788 494 HZ1 LYS 64 1HZ LYS 64 -16.928 -10.692 -6.040 495 HZ2 LYS 64 2HZ LYS 64 -17.921 -9.589 -6.722 496 HZ3 LYS 64 3HZ LYS 64 -17.763 -11.070 -7.392 497 H PHE 65 H PHE 65 -11.356 -6.941 -8.653 498 HA PHE 65 HA PHE 65 -9.803 -8.315 -10.714 499 HB2 PHE 65 1HB PHE 65 -11.557 -6.806 -12.185 500 HB3 PHE 65 2HB PHE 65 -11.903 -8.469 -11.755 501 HD1 PHE 65 2HD PHE 65 -12.275 -5.050 -10.289 502 HD2 PHE 65 1HD PHE 65 -13.953 -8.913 -10.806 503 HE1 PHE 65 2HE PHE 65 -14.352 -4.308 -9.091 504 HE2 PHE 65 1HE PHE 65 -16.031 -8.171 -9.608 505 HZ PHE 65 HZ PHE 65 -16.205 -5.878 -8.765 506 H ASP 66 H ASP 66 -9.733 -5.942 -8.536 507 HA ASP 66 HA ASP 66 -8.739 -3.967 -10.433 508 HB2 ASP 66 1HB ASP 66 -9.360 -3.458 -7.500 509 HB3 ASP 66 2HB ASP 66 -9.193 -2.275 -8.781 510 H ILE 67 H ILE 67 -8.192 -5.759 -7.347 511 HA ILE 67 HA ILE 67 -5.969 -4.733 -6.328 512 HB ILE 67 HB ILE 67 -5.272 -7.169 -5.904 513 HG12 ILE 67 1HG1 ILE 67 -7.743 -7.548 -7.572 514 HG13 ILE 67 2HG1 ILE 67 -6.214 -8.401 -7.643 515 HG21 ILE 67 1HG2 ILE 67 -8.012 -6.172 -5.076 516 HG22 ILE 67 2HG2 ILE 67 -7.081 -7.457 -4.269 517 HG23 ILE 67 3HG2 ILE 67 -6.462 -5.789 -4.289 518 HD11 ILE 67 1HD1 ILE 67 -6.790 -9.209 -5.214 519 HD12 ILE 67 2HD1 ILE 67 -8.448 -8.698 -5.614 520 HD13 ILE 67 3HD1 ILE 67 -7.646 -9.956 -6.585 521 HA PRO 68 HA PRO 68 -4.161 -5.631 -5.538 522 HB2 PRO 68 1HB PRO 68 -1.734 -4.429 -5.175 523 HB3 PRO 68 2HB PRO 68 -1.931 -6.164 -5.324 524 HG2 PRO 68 1HG PRO 68 -0.892 -4.238 -7.313 525 HG3 PRO 68 2HG PRO 68 -0.707 -5.981 -7.270 526 HD2 PRO 68 1HD PRO 68 -2.481 -4.484 -8.955 527 HD3 PRO 68 2HD PRO 68 -2.378 -6.229 -8.829 528 H VAL 69 H VAL 69 -5.191 -4.282 -4.192 529 HA VAL 69 HA VAL 69 -5.277 -1.519 -5.162 530 HB VAL 69 HB VAL 69 -7.116 -3.156 -3.413 531 HG11 VAL 69 1HG1 VAL 69 -8.572 -1.173 -3.302 532 HG12 VAL 69 2HG1 VAL 69 -7.000 -0.877 -2.522 533 HG13 VAL 69 3HG1 VAL 69 -7.330 -0.214 -4.141 534 HG21 VAL 69 1HG2 VAL 69 -8.098 -3.666 -5.349 535 HG22 VAL 69 2HG2 VAL 69 -8.484 -1.942 -5.566 536 HG23 VAL 69 3HG2 VAL 69 -6.980 -2.610 -6.245 537 H PHE 70 H PHE 70 -4.105 -0.010 -4.102 538 HA PHE 70 HA PHE 70 -3.106 -0.745 -1.456 539 HB2 PHE 70 1HB PHE 70 -2.359 1.416 -3.519 540 HB3 PHE 70 2HB PHE 70 -1.502 1.176 -2.009 541 HD1 PHE 70 1HD PHE 70 -2.157 -0.219 -5.337 542 HD2 PHE 70 2HD PHE 70 0.029 -0.668 -1.727 543 HE1 PHE 70 1HE PHE 70 -0.651 -1.886 -6.456 544 HE2 PHE 70 2HE PHE 70 1.535 -2.335 -2.847 545 HZ PHE 70 HZ PHE 70 1.177 -2.924 -5.198 546 H HIS 71 H HIS 71 -3.941 0.209 0.338 547 HA HIS 71 HA HIS 71 -5.398 2.716 -0.091 548 HB2 HIS 71 1HB HIS 71 -5.959 0.407 1.779 549 HB3 HIS 71 2HB HIS 71 -6.685 1.988 1.991 550 HD1 HIS 71 1HD HIS 71 -8.932 0.424 1.605 551 HD2 HIS 71 2HD HIS 71 -6.522 1.205 -1.739 552 HE1 HIS 71 1HE HIS 71 -10.371 -0.068 -0.444 553 H LEU 72 H LEU 72 -4.393 4.458 0.765 554 HA LEU 72 HA LEU 72 -2.531 3.950 2.973 555 HB2 LEU 72 1HB LEU 72 -2.175 5.239 0.539 556 HB3 LEU 72 2HB LEU 72 -2.365 6.554 1.681 557 HG LEU 72 HG LEU 72 -0.249 4.412 1.607 558 HD11 LEU 72 1HD1 LEU 72 1.112 6.629 2.035 559 HD12 LEU 72 2HD1 LEU 72 0.546 6.192 0.405 560 HD13 LEU 72 3HD1 LEU 72 -0.350 7.392 1.366 561 HD21 LEU 72 1HD2 LEU 72 0.406 5.818 3.843 562 HD22 LEU 72 2HD2 LEU 72 -1.366 5.736 3.994 563 HD23 LEU 72 3HD2 LEU 72 -0.416 4.239 3.839 564 H ASN 73 H ASN 73 -3.186 4.523 4.970 565 HA ASN 73 HA ASN 73 -4.211 5.539 6.586 566 HB2 ASN 73 1HB ASN 73 -4.186 7.716 4.499 567 HB3 ASN 73 2HB ASN 73 -5.248 7.960 5.871 568 HD21 ASN 73 1HD2 ASN 73 -2.152 8.279 4.680 569 HD22 ASN 73 2HD2 ASN 73 -1.277 8.578 6.144 570 H GLY 74 H GLY 74 -5.742 3.621 5.399 571 HA2 GLY 74 1HA GLY 74 -7.822 2.901 4.922 572 HA3 GLY 74 2HA GLY 74 -8.343 4.126 6.061 573 H GLN 75 H GLN 75 -6.673 4.710 2.919 574 HA GLN 75 HA GLN 75 -9.169 5.512 1.744 575 HB2 GLN 75 1HB GLN 75 -7.414 7.436 2.957 576 HB3 GLN 75 2HB GLN 75 -7.304 7.655 1.222 577 HG2 GLN 75 1HG GLN 75 -10.076 7.247 2.245 578 HG3 GLN 75 2HG GLN 75 -9.301 8.714 2.808 579 HE21 GLN 75 1HE2 GLN 75 -11.536 8.319 0.973 580 HE22 GLN 75 2HE2 GLN 75 -11.128 9.105 -0.516 581 H PHE 76 H PHE 76 -9.149 4.561 -0.243 582 HA PHE 76 HA PHE 76 -7.166 3.225 -1.399 583 HB2 PHE 76 1HB PHE 76 -9.144 3.098 -2.641 584 HB3 PHE 76 2HB PHE 76 -9.594 4.743 -2.239 585 HD1 PHE 76 1HD PHE 76 -7.297 2.804 -4.433 586 HD2 PHE 76 2HD PHE 76 -9.450 6.415 -3.854 587 HE1 PHE 76 1HE PHE 76 -6.692 3.537 -6.756 588 HE2 PHE 76 2HE PHE 76 -8.845 7.148 -6.177 589 HZ PHE 76 HZ PHE 76 -7.473 5.701 -7.600 590 H LEU 77 H LEU 77 -5.069 3.762 -1.787 591 HA LEU 77 HA LEU 77 -4.449 6.511 -2.465 592 HB2 LEU 77 1HB LEU 77 -2.727 6.047 -1.176 593 HB3 LEU 77 2HB LEU 77 -3.148 4.347 -1.121 594 HG LEU 77 HG LEU 77 -1.966 4.208 -3.437 595 HD11 LEU 77 1HD1 LEU 77 -0.584 6.682 -2.375 596 HD12 LEU 77 2HD1 LEU 77 -0.279 5.825 -3.905 597 HD13 LEU 77 3HD1 LEU 77 -1.809 6.704 -3.667 598 HD21 LEU 77 1HD2 LEU 77 -0.694 2.996 -2.070 599 HD22 LEU 77 2HD2 LEU 77 0.314 4.450 -1.872 600 HD23 LEU 77 3HD2 LEU 77 -0.978 4.096 -0.699 601 H MET 78 H MET 78 -4.218 3.186 -3.857 602 HA MET 78 HA MET 78 -4.717 4.093 -6.417 603 HB2 MET 78 1HB MET 78 -2.535 4.016 -7.472 604 HB3 MET 78 2HB MET 78 -2.325 5.008 -6.042 605 HG2 MET 78 1HG MET 78 -1.597 2.848 -4.814 606 HG3 MET 78 2HG MET 78 -1.543 2.079 -6.388 607 HE1 MET 78 1HE MET 78 2.180 2.902 -5.228 608 HE2 MET 78 2HE MET 78 0.927 3.153 -3.990 609 HE3 MET 78 3HE MET 78 0.841 1.741 -5.069 610 H MET 79 H MET 79 -4.825 2.318 -7.966 611 HA MET 79 HA MET 79 -4.058 -0.266 -6.939 612 HB2 MET 79 1HB MET 79 -6.393 -1.156 -7.459 613 HB3 MET 79 2HB MET 79 -6.357 -0.045 -6.104 614 HG2 MET 79 1HG MET 79 -7.146 1.805 -7.521 615 HG3 MET 79 2HG MET 79 -7.012 0.817 -8.962 616 HE1 MET 79 1HE MET 79 -10.783 1.533 -7.169 617 HE2 MET 79 2HE MET 79 -9.257 2.399 -6.875 618 HE3 MET 79 3HE MET 79 -9.835 2.155 -8.541 619 H HIS 80 H HIS 80 -4.337 -2.016 -8.663 620 HA HIS 80 HA HIS 80 -4.399 -2.725 -10.780 621 HB2 HIS 80 1HB HIS 80 -4.489 0.121 -11.793 622 HB3 HIS 80 2HB HIS 80 -4.907 -1.345 -12.657 623 HD1 HIS 80 1HD HIS 80 -7.123 0.472 -12.859 624 HD2 HIS 80 2HD HIS 80 -6.603 -1.781 -9.359 625 HE1 HIS 80 1HE HIS 80 -9.393 0.427 -11.693 626 H ARG 81 H ARG 81 -2.162 -1.274 -9.015 627 HA ARG 81 HA ARG 81 -0.020 -2.295 -10.137 628 HB2 ARG 81 1HB ARG 81 -0.847 0.083 -11.699 629 HB3 ARG 81 2HB ARG 81 0.812 0.192 -11.143 630 HG2 ARG 81 1HG ARG 81 1.503 -1.680 -12.372 631 HG3 ARG 81 2HG ARG 81 -0.084 -2.424 -12.344 632 HD2 ARG 81 1HD ARG 81 -0.938 -0.832 -14.001 633 HD3 ARG 81 2HD ARG 81 0.528 0.124 -13.914 634 HE ARG 81 HE ARG 81 1.206 -2.584 -14.607 635 HH11 ARG 81 2HH2 ARG 81 -0.286 0.296 -15.973 636 HH12 ARG 81 1HH2 ARG 81 0.141 -0.101 -17.604 637 HH21 ARG 81 2HH1 ARG 81 1.769 -3.108 -16.758 638 HH22 ARG 81 1HH1 ARG 81 1.318 -2.051 -18.054 639 H VAL 82 H VAL 82 2.079 -0.498 -9.754 640 HA VAL 82 HA VAL 82 1.465 0.701 -7.142 641 HB VAL 82 HB VAL 82 4.027 -0.694 -7.933 642 HG11 VAL 82 1HG1 VAL 82 3.244 -0.239 -5.094 643 HG12 VAL 82 2HG1 VAL 82 4.848 -0.203 -5.865 644 HG13 VAL 82 3HG1 VAL 82 3.747 1.186 -6.034 645 HG21 VAL 82 1HG2 VAL 82 2.749 -2.563 -7.751 646 HG22 VAL 82 2HG2 VAL 82 3.005 -2.290 -6.011 647 HG23 VAL 82 3HG2 VAL 82 1.495 -1.749 -6.784 648 H ASN 83 H ASN 83 1.074 2.715 -8.303 649 HA ASN 83 HA ASN 83 3.108 3.763 -9.943 650 HB2 ASN 83 1HB ASN 83 0.486 4.337 -9.685 651 HB3 ASN 83 2HB ASN 83 1.080 5.528 -8.545 652 HD21 ASN 83 1HD2 ASN 83 3.318 6.498 -9.495 653 HD22 ASN 83 2HD2 ASN 83 3.146 7.222 -11.059 654 H THR 84 H THR 84 4.942 3.429 -8.327 655 HA THR 84 HA THR 84 5.197 4.368 -5.834 656 HB THR 84 HB THR 84 7.640 4.951 -6.700 657 HG1 THR 84 1HG THR 84 7.872 4.252 -8.903 658 HG21 THR 84 1HG2 THR 84 8.220 2.639 -6.772 659 HG22 THR 84 2HG2 THR 84 6.743 2.646 -5.779 660 HG23 THR 84 3HG2 THR 84 6.659 2.182 -7.495 661 H SER 85 H SER 85 5.626 6.432 -8.783 662 HA SER 85 HA SER 85 6.288 8.734 -7.649 663 HB2 SER 85 1HB SER 85 5.889 8.349 -10.090 664 HB3 SER 85 2HB SER 85 4.160 8.407 -9.812 665 HG SER 85 HG SER 85 4.532 10.491 -10.328 666 H LYS 86 H LYS 86 2.953 7.341 -7.823 667 HA LYS 86 HA LYS 86 1.740 9.559 -6.548 668 HB2 LYS 86 1HB LYS 86 0.845 7.452 -8.021 669 HB3 LYS 86 2HB LYS 86 0.419 6.910 -6.410 670 HG2 LYS 86 1HG LYS 86 -1.153 8.572 -6.110 671 HG3 LYS 86 2HG LYS 86 -0.206 9.775 -6.963 672 HD2 LYS 86 1HD LYS 86 -1.869 9.483 -8.543 673 HD3 LYS 86 2HD LYS 86 -0.788 8.213 -9.081 674 HE2 LYS 86 1HE LYS 86 -2.331 6.615 -8.611 675 HE3 LYS 86 2HE LYS 86 -2.474 7.172 -6.956 676 HZ1 LYS 86 1HZ LYS 86 -4.516 7.324 -8.334 677 HZ2 LYS 86 2HZ LYS 86 -4.098 8.716 -7.589 678 HZ3 LYS 86 3HZ LYS 86 -3.812 8.527 -9.186 679 H LEU 87 H LEU 87 2.598 6.214 -5.413 680 HA LEU 87 HA LEU 87 1.840 6.476 -2.814 681 HB2 LEU 87 1HB LEU 87 2.474 4.368 -3.380 682 HB3 LEU 87 2HB LEU 87 3.885 4.895 -4.275 683 HG LEU 87 HG LEU 87 5.081 5.332 -2.171 684 HD11 LEU 87 1HD1 LEU 87 2.933 5.820 -0.877 685 HD12 LEU 87 2HD1 LEU 87 2.789 4.057 -0.678 686 HD13 LEU 87 3HD1 LEU 87 4.210 4.913 -0.031 687 HD21 LEU 87 1HD2 LEU 87 5.145 3.104 -3.321 688 HD22 LEU 87 2HD2 LEU 87 5.521 3.063 -1.581 689 HD23 LEU 87 3HD2 LEU 87 3.921 2.537 -2.159 690 H GLU 88 H GLU 88 5.239 7.025 -3.992 691 HA GLU 88 HA GLU 88 6.274 8.024 -1.751 692 HB2 GLU 88 1HB GLU 88 6.811 9.257 -4.484 693 HB3 GLU 88 2HB GLU 88 7.923 9.158 -3.133 694 HG2 GLU 88 1HG GLU 88 7.165 6.487 -3.512 695 HG3 GLU 88 2HG GLU 88 7.233 7.109 -5.149 696 H LYS 89 H LYS 89 4.436 9.915 -4.241 697 HA LYS 89 HA LYS 89 4.679 12.398 -3.078 698 HB2 LYS 89 1HB LYS 89 3.650 11.600 -5.346 699 HB3 LYS 89 2HB LYS 89 2.147 11.522 -4.450 700 HG2 LYS 89 1HG LYS 89 3.903 14.005 -4.357 701 HG3 LYS 89 2HG LYS 89 2.748 13.762 -5.652 702 HD2 LYS 89 1HD LYS 89 1.058 13.277 -3.635 703 HD3 LYS 89 2HD LYS 89 2.230 14.188 -2.703 704 HE2 LYS 89 1HE LYS 89 1.427 16.138 -3.538 705 HE3 LYS 89 2HE LYS 89 1.776 15.614 -5.173 706 HZ1 LYS 89 1HZ LYS 89 -0.574 14.516 -3.880 707 HZ2 LYS 89 2HZ LYS 89 -0.641 16.066 -4.388 708 HZ3 LYS 89 3HZ LYS 89 -0.326 14.871 -5.454 709 H GLN 90 H GLN 90 2.056 9.931 -2.591 710 HA GLN 90 HA GLN 90 0.645 11.368 -0.748 711 HB2 GLN 90 1HB GLN 90 1.024 8.355 -1.014 712 HB3 GLN 90 2HB GLN 90 -0.180 9.086 0.028 713 HG2 GLN 90 1HG GLN 90 0.006 9.261 -3.006 714 HG3 GLN 90 2HG GLN 90 -1.293 8.574 -2.051 715 HE21 GLN 90 1HE2 GLN 90 0.175 11.439 -3.302 716 HE22 GLN 90 2HE2 GLN 90 -1.048 12.581 -2.855 717 H LEU 91 H LEU 91 3.299 8.952 -0.201 718 HA LEU 91 HA LEU 91 3.379 8.794 2.461 719 HB2 LEU 91 1HB LEU 91 5.567 8.995 0.419 720 HB3 LEU 91 2HB LEU 91 5.958 8.841 2.120 721 HG LEU 91 HG LEU 91 4.239 6.883 0.572 722 HD11 LEU 91 1HD1 LEU 91 7.077 7.232 0.558 723 HD12 LEU 91 2HD1 LEU 91 6.688 5.710 1.395 724 HD13 LEU 91 3HD1 LEU 91 6.091 5.995 -0.258 725 HD21 LEU 91 1HD2 LEU 91 5.501 5.936 3.023 726 HD22 LEU 91 2HD2 LEU 91 4.383 7.291 3.309 727 HD23 LEU 91 3HD2 LEU 91 3.809 5.823 2.482 728 H ARG 92 H ARG 92 4.396 11.614 0.483 729 HA ARG 92 HA ARG 92 5.132 12.987 2.902 730 HB2 ARG 92 1HB ARG 92 6.491 14.208 1.531 731 HB3 ARG 92 2HB ARG 92 6.062 13.082 0.258 732 HG2 ARG 92 1HG ARG 92 4.116 14.526 -0.367 733 HG3 ARG 92 2HG ARG 92 4.537 15.649 0.911 734 HD2 ARG 92 1HD ARG 92 6.849 15.877 -0.214 735 HD3 ARG 92 2HD ARG 92 6.188 14.981 -1.567 736 HE ARG 92 HE ARG 92 5.530 17.743 -0.803 737 HH11 ARG 92 2HH2 ARG 92 4.532 14.920 -2.653 738 HH12 ARG 92 1HH2 ARG 92 3.528 15.826 -3.736 739 HH21 ARG 92 2HH1 ARG 92 4.206 18.938 -2.231 740 HH22 ARG 92 1HH1 ARG 92 3.341 18.127 -3.494 741 H LYS 93 H LYS 93 2.638 12.946 0.328 742 HA LYS 93 HA LYS 93 1.418 15.375 0.886 743 HB2 LYS 93 1HB LYS 93 1.065 13.313 -0.909 744 HB3 LYS 93 2HB LYS 93 -0.382 13.195 0.072 745 HG2 LYS 93 1HG LYS 93 0.380 15.976 -0.696 746 HG3 LYS 93 2HG LYS 93 -0.069 14.943 -2.038 747 HD2 LYS 93 1HD LYS 93 -2.268 14.659 -1.277 748 HD3 LYS 93 2HD LYS 93 -1.835 14.899 0.404 749 HE2 LYS 93 1HE LYS 93 -2.025 17.195 0.273 750 HE3 LYS 93 2HE LYS 93 -1.356 17.267 -1.344 751 HZ1 LYS 93 1HZ LYS 93 -3.626 16.050 -1.839 752 HZ2 LYS 93 2HZ LYS 93 -4.091 16.900 -0.525 753 HZ3 LYS 93 3HZ LYS 93 -3.489 17.677 -1.829 754 H LEU 94 H LEU 94 0.954 12.094 2.316 755 HA LEU 94 HA LEU 94 -1.234 12.684 3.888 756 HB2 LEU 94 1HB LEU 94 1.063 10.813 4.483 757 HB3 LEU 94 2HB LEU 94 -0.509 10.786 5.255 758 HG LEU 94 HG LEU 94 -0.053 10.328 2.295 759 HD11 LEU 94 1HD1 LEU 94 0.822 8.375 2.985 760 HD12 LEU 94 2HD1 LEU 94 0.118 8.509 4.615 761 HD13 LEU 94 3HD1 LEU 94 -0.879 7.928 3.260 762 HD21 LEU 94 1HD2 LEU 94 -2.243 10.915 2.307 763 HD22 LEU 94 2HD2 LEU 94 -2.436 9.210 2.779 764 HD23 LEU 94 3HD2 LEU 94 -2.470 10.486 4.020 765 H SER 95 H SER 95 2.297 12.984 4.664 766 HA SER 95 HA SER 95 1.608 15.153 6.411 767 HB2 SER 95 1HB SER 95 1.440 13.258 7.950 768 HB3 SER 95 2HB SER 95 2.985 12.626 7.417 769 HG SER 95 HG SER 95 3.093 13.829 9.456 770 H GLY 96 H GLY 96 3.271 16.698 6.466 771 HA2 GLY 96 1HA GLY 96 5.798 15.912 5.140 772 HA3 GLY 96 2HA GLY 96 4.986 17.439 4.857 773 HA PRO 97 HA PRO 97 7.887 18.226 8.225 774 HB2 PRO 97 1HB PRO 97 9.003 20.497 7.192 775 HB3 PRO 97 2HB PRO 97 9.683 18.900 6.951 776 HG2 PRO 97 1HG PRO 97 8.180 20.582 5.040 777 HG3 PRO 97 2HG PRO 97 9.216 19.207 4.713 778 HD2 PRO 97 1HD PRO 97 6.348 19.236 4.700 779 HD3 PRO 97 2HD PRO 97 7.382 17.838 4.488 780 H SER 98 H SER 98 5.951 20.597 6.494 781 HA SER 98 HA SER 98 4.632 22.168 7.200 782 HB2 SER 98 1HB SER 98 4.543 20.739 9.892 783 HB3 SER 98 2HB SER 98 3.346 21.854 9.263 784 HG SER 98 HG SER 98 3.068 19.355 9.049 785 H SER 99 H SER 99 4.550 24.190 8.494 786 HA SER 99 HA SER 99 7.086 25.103 9.101 787 HB2 SER 99 1HB SER 99 4.413 26.266 10.001 788 HB3 SER 99 2HB SER 99 5.932 27.135 9.916 789 HG SER 99 HG SER 99 4.907 27.638 8.006 790 H GLY 100 H GLY 100 8.299 25.108 10.986 791 HA2 GLY 100 1HA GLY 100 8.913 24.328 13.027 792 HA3 GLY 100 2HA GLY 100 7.577 25.333 13.553 Start of MODEL 20 1 H1 GLY 1 H GLY 1 43.970 17.897 11.597 2 HA2 GLY 1 1HA GLY 1 43.808 20.381 11.215 3 HA3 GLY 1 2HA GLY 1 42.499 19.423 10.552 4 H SER 2 H SER 2 41.572 21.799 10.820 5 HA SER 2 HA SER 2 39.920 21.654 13.160 6 HB2 SER 2 1HB SER 2 40.354 24.086 13.723 7 HB3 SER 2 2HB SER 2 41.689 23.007 14.076 8 HG SER 2 HG SER 2 42.226 25.073 12.928 9 H SER 3 H SER 3 37.952 22.976 12.925 10 HA SER 3 HA SER 3 37.638 24.524 10.578 11 HB2 SER 3 1HB SER 3 35.785 23.128 9.608 12 HB3 SER 3 2HB SER 3 37.362 22.374 9.492 13 HG SER 3 HG SER 3 36.838 20.897 11.061 14 H GLY 4 H GLY 4 35.673 22.445 12.841 15 HA2 GLY 4 1HA GLY 4 34.790 24.208 14.636 16 HA3 GLY 4 2HA GLY 4 33.796 24.626 13.254 17 H SER 5 H SER 5 31.855 23.911 14.329 18 HA SER 5 HA SER 5 31.226 21.261 13.780 19 HB2 SER 5 1HB SER 5 32.424 21.694 16.378 20 HB3 SER 5 2HB SER 5 30.741 21.266 16.609 21 HG SER 5 HG SER 5 32.403 19.756 14.805 22 H SER 6 H SER 6 28.919 20.743 14.780 23 HA SER 6 HA SER 6 27.508 23.147 15.486 24 HB2 SER 6 1HB SER 6 27.600 22.574 12.830 25 HB3 SER 6 2HB SER 6 26.236 21.569 13.278 26 HG SER 6 HG SER 6 25.197 23.448 12.947 27 H GLY 7 H GLY 7 25.020 22.485 15.823 28 HA2 GLY 7 1HA GLY 7 24.951 19.743 16.934 29 HA3 GLY 7 2HA GLY 7 24.353 21.135 17.815 30 H ASN 8 H ASN 8 22.444 19.358 17.597 31 HA ASN 8 HA ASN 8 20.515 20.605 16.054 32 HB2 ASN 8 1HB ASN 8 22.007 18.440 14.710 33 HB3 ASN 8 2HB ASN 8 20.298 18.066 14.813 34 HD21 ASN 8 1HD2 ASN 8 21.504 18.464 12.406 35 HD22 ASN 8 2HD2 ASN 8 20.952 19.928 11.662 36 H LEU 9 H LEU 9 18.596 20.113 17.157 37 HA LEU 9 HA LEU 9 18.530 17.550 18.592 38 HB2 LEU 9 1HB LEU 9 18.707 20.048 19.744 39 HB3 LEU 9 2HB LEU 9 16.983 19.735 19.773 40 HG LEU 9 HG LEU 9 17.882 19.006 21.849 41 HD11 LEU 9 1HD1 LEU 9 16.911 16.943 21.993 42 HD12 LEU 9 2HD1 LEU 9 16.280 17.465 20.412 43 HD13 LEU 9 3HD1 LEU 9 17.667 16.352 20.494 44 HD21 LEU 9 1HD2 LEU 9 19.852 17.250 20.362 45 HD22 LEU 9 2HD2 LEU 9 20.244 18.834 21.074 46 HD23 LEU 9 3HD2 LEU 9 19.725 17.492 22.121 47 H SER 10 H SER 10 17.147 16.280 17.464 48 HA SER 10 HA SER 10 14.997 17.518 16.045 49 HB2 SER 10 1HB SER 10 14.522 15.188 15.275 50 HB3 SER 10 2HB SER 10 16.182 15.668 14.986 51 HG SER 10 HG SER 10 15.800 14.466 17.489 52 H ALA 11 H ALA 11 12.725 16.344 16.239 53 HA ALA 11 HA ALA 11 11.935 16.622 18.975 54 HB1 ALA 11 1HB ALA 11 10.761 17.037 16.509 55 HB2 ALA 11 2HB ALA 11 9.988 15.526 17.046 56 HB3 ALA 11 3HB ALA 11 9.894 16.984 18.063 57 H SER 12 H SER 12 10.443 14.895 19.978 58 HA SER 12 HA SER 12 11.691 12.311 19.465 59 HB2 SER 12 1HB SER 12 11.420 13.799 21.863 60 HB3 SER 12 2HB SER 12 10.261 12.492 22.008 61 HG SER 12 HG SER 12 12.393 11.908 22.806 62 H ASN 13 H ASN 13 10.176 11.677 17.808 63 HA ASN 13 HA ASN 13 7.956 10.358 18.741 64 HB2 ASN 13 1HB ASN 13 7.420 13.130 18.424 65 HB3 ASN 13 2HB ASN 13 6.750 12.392 16.982 66 HD21 ASN 13 1HD2 ASN 13 4.898 13.434 18.343 67 HD22 ASN 13 2HD2 ASN 13 3.993 12.339 19.335 68 H ARG 14 H ARG 14 7.375 8.866 17.091 69 HA ARG 14 HA ARG 14 7.850 9.601 14.371 70 HB2 ARG 14 1HB ARG 14 9.921 8.299 15.735 71 HB3 ARG 14 2HB ARG 14 9.086 6.967 14.960 72 HG2 ARG 14 1HG ARG 14 9.165 8.397 12.787 73 HG3 ARG 14 2HG ARG 14 10.311 9.418 13.632 74 HD2 ARG 14 1HD ARG 14 11.864 7.956 12.773 75 HD3 ARG 14 2HD ARG 14 11.424 6.973 14.155 76 HE ARG 14 HE ARG 14 9.575 6.418 12.045 77 HH11 ARG 14 2HH2 ARG 14 12.969 5.935 12.839 78 HH12 ARG 14 1HH2 ARG 14 13.121 4.501 11.880 79 HH21 ARG 14 2HH1 ARG 14 9.775 4.526 10.780 80 HH22 ARG 14 1HH1 ARG 14 11.292 3.694 10.701 81 H ALA 15 H ALA 15 6.575 8.319 12.917 82 HA ALA 15 HA ALA 15 5.445 5.852 13.666 83 HB1 ALA 15 1HB ALA 15 3.082 6.615 13.877 84 HB2 ALA 15 2HB ALA 15 4.110 7.212 15.202 85 HB3 ALA 15 3HB ALA 15 3.648 8.302 13.873 86 H LEU 16 H LEU 16 4.943 4.802 11.787 87 HA LEU 16 HA LEU 16 4.851 6.478 9.389 88 HB2 LEU 16 1HB LEU 16 5.349 3.509 9.597 89 HB3 LEU 16 2HB LEU 16 5.533 4.520 8.178 90 HG LEU 16 HG LEU 16 7.197 4.767 10.699 91 HD11 LEU 16 1HD1 LEU 16 7.351 2.866 8.564 92 HD12 LEU 16 2HD1 LEU 16 8.764 3.945 8.484 93 HD13 LEU 16 3HD1 LEU 16 8.408 3.055 9.984 94 HD21 LEU 16 1HD2 LEU 16 6.751 6.654 8.709 95 HD22 LEU 16 2HD2 LEU 16 8.100 6.625 9.870 96 HD23 LEU 16 3HD2 LEU 16 8.300 5.903 8.255 97 HA PRO 17 HA PRO 17 0.727 5.413 8.704 98 HB2 PRO 17 1HB PRO 17 0.537 5.462 5.978 99 HB3 PRO 17 2HB PRO 17 0.535 6.910 6.965 100 HG2 PRO 17 1HG PRO 17 2.707 5.817 5.284 101 HG3 PRO 17 2HG PRO 17 2.524 7.438 5.924 102 HD2 PRO 17 1HD PRO 17 4.275 5.391 6.910 103 HD3 PRO 17 2HD PRO 17 4.007 6.971 7.618 104 H VAL 18 H VAL 18 -0.881 3.938 7.510 105 HA VAL 18 HA VAL 18 0.473 1.334 7.332 106 HB VAL 18 HB VAL 18 -2.273 2.078 8.354 107 HG11 VAL 18 1HG1 VAL 18 -1.074 -0.698 8.072 108 HG12 VAL 18 2HG1 VAL 18 -2.675 -0.285 8.732 109 HG13 VAL 18 3HG1 VAL 18 -2.326 -0.012 7.008 110 HG21 VAL 18 1HG2 VAL 18 0.307 1.239 9.630 111 HG22 VAL 18 2HG2 VAL 18 -0.886 2.453 10.152 112 HG23 VAL 18 3HG2 VAL 18 -1.226 0.719 10.370 113 H LEU 19 H LEU 19 0.590 0.613 5.276 114 HA LEU 19 HA LEU 19 -1.415 1.603 3.396 115 HB2 LEU 19 1HB LEU 19 0.948 1.991 2.884 116 HB3 LEU 19 2HB LEU 19 1.256 0.267 2.938 117 HG LEU 19 HG LEU 19 -0.675 0.258 1.076 118 HD11 LEU 19 1HD1 LEU 19 0.706 2.844 0.396 119 HD12 LEU 19 2HD1 LEU 19 -0.779 2.139 -0.286 120 HD13 LEU 19 3HD1 LEU 19 -0.792 2.826 1.357 121 HD21 LEU 19 1HD2 LEU 19 1.557 0.859 -0.462 122 HD22 LEU 19 2HD2 LEU 19 2.237 0.263 1.071 123 HD23 LEU 19 3HD2 LEU 19 1.088 -0.742 0.156 124 H THR 20 H THR 20 -3.188 0.349 3.184 125 HA THR 20 HA THR 20 -3.063 -2.442 3.876 126 HB THR 20 HB THR 20 -5.415 -1.037 2.570 127 HG1 THR 20 1HG THR 20 -4.902 0.495 4.131 128 HG21 THR 20 1HG2 THR 20 -4.982 -3.080 4.796 129 HG22 THR 20 2HG2 THR 20 -6.522 -2.205 4.620 130 HG23 THR 20 3HG2 THR 20 -5.947 -3.267 3.312 131 H LEU 21 H LEU 21 -2.045 -3.819 2.543 132 HA LEU 21 HA LEU 21 -2.432 -3.408 -0.327 133 HB2 LEU 21 1HB LEU 21 -0.181 -3.529 0.000 134 HB3 LEU 21 2HB LEU 21 -0.310 -4.613 1.370 135 HG LEU 21 HG LEU 21 -0.830 -6.487 -0.147 136 HD11 LEU 21 1HD1 LEU 21 -1.922 -5.419 -1.969 137 HD12 LEU 21 2HD1 LEU 21 -0.504 -4.398 -2.311 138 HD13 LEU 21 3HD1 LEU 21 -0.432 -6.152 -2.609 139 HD21 LEU 21 1HD2 LEU 21 1.618 -5.345 0.356 140 HD22 LEU 21 2HD2 LEU 21 1.346 -6.943 -0.380 141 HD23 LEU 21 3HD2 LEU 21 1.633 -5.524 -1.415 142 H PHE 22 H PHE 22 -3.873 -4.637 -1.410 143 HA PHE 22 HA PHE 22 -4.815 -7.048 -0.036 144 HB2 PHE 22 1HB PHE 22 -5.956 -5.082 -2.097 145 HB3 PHE 22 2HB PHE 22 -6.733 -6.626 -1.809 146 HD1 PHE 22 2HD PHE 22 -7.578 -7.133 0.530 147 HD2 PHE 22 1HD PHE 22 -6.346 -3.253 -0.668 148 HE1 PHE 22 2HE PHE 22 -8.847 -6.136 2.452 149 HE2 PHE 22 1HE PHE 22 -7.614 -2.256 1.255 150 HZ PHE 22 HZ PHE 22 -8.850 -3.710 2.792 151 H THR 23 H THR 23 -3.611 -8.770 -0.771 152 HA THR 23 HA THR 23 -3.362 -9.006 -3.699 153 HB THR 23 HB THR 23 -1.152 -8.667 -2.789 154 HG1 THR 23 1HG THR 23 -0.363 -10.949 -3.047 155 HG21 THR 23 1HG2 THR 23 -2.109 -10.579 -0.616 156 HG22 THR 23 2HG2 THR 23 -0.374 -10.389 -0.970 157 HG23 THR 23 3HG2 THR 23 -1.329 -8.990 -0.421 158 H LYS 24 H LYS 24 -3.017 -11.422 -4.338 159 HA LYS 24 HA LYS 24 -4.257 -13.339 -2.659 160 HB2 LYS 24 1HB LYS 24 -6.264 -13.736 -4.046 161 HB3 LYS 24 2HB LYS 24 -6.300 -12.193 -3.217 162 HG2 LYS 24 1HG LYS 24 -5.801 -10.970 -5.216 163 HG3 LYS 24 2HG LYS 24 -5.231 -12.399 -6.055 164 HD2 LYS 24 1HD LYS 24 -7.876 -13.055 -5.337 165 HD3 LYS 24 2HD LYS 24 -7.975 -11.364 -5.786 166 HE2 LYS 24 1HE LYS 24 -6.329 -12.450 -7.782 167 HE3 LYS 24 2HE LYS 24 -7.490 -13.730 -7.491 168 HZ1 LYS 24 1HZ LYS 24 -7.884 -11.277 -8.781 169 HZ2 LYS 24 2HZ LYS 24 -8.897 -12.554 -8.681 170 HZ3 LYS 24 3HZ LYS 24 -8.924 -11.398 -7.528 171 H ALA 25 H ALA 25 -3.200 -15.185 -3.132 172 HA ALA 25 HA ALA 25 -1.795 -15.322 -5.661 173 HB1 ALA 25 1HB ALA 25 -0.839 -15.876 -3.331 174 HB2 ALA 25 2HB ALA 25 -1.801 -17.370 -3.425 175 HB3 ALA 25 3HB ALA 25 -0.534 -17.050 -4.633 176 HA PRO 26 HA PRO 26 -1.080 -16.547 -6.921 177 HB2 PRO 26 1HB PRO 26 -1.394 -16.805 -9.623 178 HB3 PRO 26 2HB PRO 26 -0.811 -18.101 -8.598 179 HG2 PRO 26 1HG PRO 26 -3.472 -17.777 -9.843 180 HG3 PRO 26 2HG PRO 26 -2.736 -19.225 -9.187 181 HD2 PRO 26 1HD PRO 26 -4.767 -17.622 -7.950 182 HD3 PRO 26 2HD PRO 26 -3.949 -19.002 -7.247 183 H CYS 27 H CYS 27 -0.137 -14.752 -8.215 184 HA CYS 27 HA CYS 27 -1.910 -12.900 -9.337 185 HB2 CYS 27 1HB CYS 27 -1.490 -11.074 -7.563 186 HB3 CYS 27 2HB CYS 27 -2.748 -12.255 -7.258 187 HG CYS 27 HG CYS 27 0.192 -13.256 -6.424 188 HA PRO 28 HA PRO 28 2.279 -12.276 -10.620 189 HB2 PRO 28 1HB PRO 28 1.715 -11.130 -13.036 190 HB3 PRO 28 2HB PRO 28 1.837 -12.862 -12.802 191 HG2 PRO 28 1HG PRO 28 -0.586 -11.207 -13.154 192 HG3 PRO 28 2HG PRO 28 -0.404 -12.939 -13.343 193 HD2 PRO 28 1HD PRO 28 -1.602 -11.573 -11.124 194 HD3 PRO 28 2HD PRO 28 -1.314 -13.296 -11.263 195 H LEU 29 H LEU 29 -0.210 -9.817 -10.803 196 HA LEU 29 HA LEU 29 1.698 -7.705 -10.806 197 HB2 LEU 29 1HB LEU 29 -1.278 -7.933 -10.575 198 HB3 LEU 29 2HB LEU 29 -0.494 -6.419 -10.171 199 HG LEU 29 HG LEU 29 0.411 -6.208 -12.402 200 HD11 LEU 29 1HD1 LEU 29 -0.336 -9.060 -12.600 201 HD12 LEU 29 2HD1 LEU 29 -0.651 -8.079 -14.052 202 HD13 LEU 29 3HD1 LEU 29 0.991 -8.155 -13.368 203 HD21 LEU 29 1HD2 LEU 29 -1.487 -5.377 -13.242 204 HD22 LEU 29 2HD2 LEU 29 -2.306 -6.957 -13.220 205 HD23 LEU 29 3HD2 LEU 29 -2.242 -5.967 -11.742 206 H CYS 30 H CYS 30 -0.800 -8.644 -8.333 207 HA CYS 30 HA CYS 30 0.021 -7.161 -6.284 208 HB2 CYS 30 1HB CYS 30 -0.761 -10.081 -6.008 209 HB3 CYS 30 2HB CYS 30 -0.889 -8.844 -4.773 210 HG CYS 30 HG CYS 30 -3.045 -9.768 -6.601 211 H ASP 31 H ASP 31 1.444 -10.313 -7.364 212 HA ASP 31 HA ASP 31 3.238 -10.660 -5.361 213 HB2 ASP 31 1HB ASP 31 3.013 -12.397 -6.974 214 HB3 ASP 31 2HB ASP 31 3.274 -11.308 -8.321 215 H GLU 32 H GLU 32 3.780 -9.073 -8.606 216 HA GLU 32 HA GLU 32 6.340 -8.206 -8.030 217 HB2 GLU 32 1HB GLU 32 4.686 -8.210 -10.242 218 HB3 GLU 32 2HB GLU 32 4.751 -6.498 -9.873 219 HG2 GLU 32 1HG GLU 32 6.760 -6.434 -10.927 220 HG3 GLU 32 2HG GLU 32 7.422 -7.336 -9.578 221 H ALA 33 H ALA 33 3.125 -6.584 -7.694 222 HA ALA 33 HA ALA 33 3.773 -4.061 -7.110 223 HB1 ALA 33 1HB ALA 33 1.555 -4.193 -6.752 224 HB2 ALA 33 2HB ALA 33 1.655 -5.937 -6.409 225 HB3 ALA 33 3HB ALA 33 1.926 -4.755 -5.105 226 H LYS 34 H LYS 34 3.661 -6.678 -4.579 227 HA LYS 34 HA LYS 34 4.657 -5.252 -2.500 228 HB2 LYS 34 1HB LYS 34 5.109 -8.158 -3.228 229 HB3 LYS 34 2HB LYS 34 5.527 -7.467 -1.674 230 HG2 LYS 34 1HG LYS 34 3.220 -6.906 -1.191 231 HG3 LYS 34 2HG LYS 34 2.724 -7.219 -2.842 232 HD2 LYS 34 1HD LYS 34 3.979 -9.620 -1.955 233 HD3 LYS 34 2HD LYS 34 2.979 -9.091 -0.616 234 HE2 LYS 34 1HE LYS 34 0.981 -9.238 -1.862 235 HE3 LYS 34 2HE LYS 34 1.798 -9.040 -3.400 236 HZ1 LYS 34 1HZ LYS 34 1.639 -11.232 -3.501 237 HZ2 LYS 34 2HZ LYS 34 2.874 -11.297 -2.434 238 HZ3 LYS 34 3HZ LYS 34 1.332 -11.416 -1.908 239 H GLU 35 H GLU 35 6.573 -7.043 -5.007 240 HA GLU 35 HA GLU 35 9.038 -6.454 -3.997 241 HB2 GLU 35 1HB GLU 35 8.422 -6.557 -6.973 242 HB3 GLU 35 2HB GLU 35 9.901 -7.043 -6.169 243 HG2 GLU 35 1HG GLU 35 8.260 -8.705 -4.854 244 HG3 GLU 35 2HG GLU 35 7.235 -8.460 -6.255 245 H VAL 36 H VAL 36 6.735 -4.399 -5.725 246 HA VAL 36 HA VAL 36 8.689 -2.408 -6.387 247 HB VAL 36 HB VAL 36 5.675 -2.209 -6.359 248 HG11 VAL 36 1HG1 VAL 36 5.960 -0.461 -7.990 249 HG12 VAL 36 2HG1 VAL 36 6.994 -0.090 -6.590 250 HG13 VAL 36 3HG1 VAL 36 7.713 -0.756 -8.076 251 HG21 VAL 36 1HG2 VAL 36 5.494 -3.386 -8.283 252 HG22 VAL 36 2HG2 VAL 36 7.051 -2.800 -8.914 253 HG23 VAL 36 3HG2 VAL 36 7.014 -4.134 -7.737 254 H LEU 37 H LEU 37 6.782 -3.324 -3.610 255 HA LEU 37 HA LEU 37 7.089 -0.665 -2.447 256 HB2 LEU 37 1HB LEU 37 5.529 -3.101 -1.582 257 HB3 LEU 37 2HB LEU 37 5.657 -1.631 -0.637 258 HG LEU 37 HG LEU 37 4.201 -2.109 -3.219 259 HD11 LEU 37 1HD1 LEU 37 3.512 -0.941 -0.521 260 HD12 LEU 37 2HD1 LEU 37 2.458 -0.757 -1.944 261 HD13 LEU 37 3HD1 LEU 37 2.837 -2.381 -1.321 262 HD21 LEU 37 1HD2 LEU 37 5.109 0.603 -2.215 263 HD22 LEU 37 2HD2 LEU 37 5.585 -0.192 -3.735 264 HD23 LEU 37 3HD2 LEU 37 3.900 0.329 -3.493 265 H GLN 38 H GLN 38 9.268 -2.793 -3.042 266 HA GLN 38 HA GLN 38 10.060 -3.794 -0.561 267 HB2 GLN 38 1HB GLN 38 11.111 -3.674 -3.308 268 HB3 GLN 38 2HB GLN 38 12.387 -3.564 -2.112 269 HG2 GLN 38 1HG GLN 38 10.686 -5.587 -1.116 270 HG3 GLN 38 2HG GLN 38 10.719 -5.871 -2.845 271 HE21 GLN 38 1HE2 GLN 38 13.305 -4.762 -3.331 272 HE22 GLN 38 2HE2 GLN 38 14.498 -5.846 -2.698 273 HA PRO 39 HA PRO 39 12.820 0.069 -0.482 274 HB2 PRO 39 1HB PRO 39 12.382 2.090 -2.269 275 HB3 PRO 39 2HB PRO 39 13.593 0.846 -2.507 276 HG2 PRO 39 1HG PRO 39 10.964 1.148 -3.823 277 HG3 PRO 39 2HG PRO 39 12.342 0.192 -4.331 278 HD2 PRO 39 1HD PRO 39 9.943 -0.777 -3.093 279 HD3 PRO 39 2HD PRO 39 11.368 -1.715 -3.495 280 H TYR 40 H TYR 40 9.592 -0.193 -0.453 281 HA TYR 40 HA TYR 40 9.382 2.260 1.159 282 HB2 TYR 40 1HB TYR 40 7.296 0.806 -0.584 283 HB3 TYR 40 2HB TYR 40 7.014 2.306 0.276 284 HD1 TYR 40 2HD TYR 40 8.082 4.417 -0.499 285 HD2 TYR 40 1HD TYR 40 8.452 0.770 -2.703 286 HE1 TYR 40 2HE TYR 40 8.836 5.723 -2.546 287 HE2 TYR 40 1HE TYR 40 9.204 2.087 -4.743 288 HH TYR 40 HH TYR 40 9.562 4.038 -5.591 289 H LYS 41 H LYS 41 9.555 -1.064 1.253 290 HA LYS 41 HA LYS 41 7.345 -1.773 2.806 291 HB2 LYS 41 1HB LYS 41 8.407 -3.821 3.078 292 HB3 LYS 41 2HB LYS 41 9.053 -3.242 1.556 293 HG2 LYS 41 1HG LYS 41 11.094 -2.417 2.700 294 HG3 LYS 41 2HG LYS 41 10.441 -2.889 4.256 295 HD2 LYS 41 1HD LYS 41 10.453 -5.262 3.604 296 HD3 LYS 41 2HD LYS 41 10.924 -4.853 1.967 297 HE2 LYS 41 1HE LYS 41 12.999 -5.416 2.900 298 HE3 LYS 41 2HE LYS 41 12.996 -3.678 3.123 299 HZ1 LYS 41 1HZ LYS 41 12.593 -5.765 5.098 300 HZ2 LYS 41 2HZ LYS 41 13.489 -4.403 5.197 301 HZ3 LYS 41 3HZ LYS 41 11.864 -4.324 5.344 302 H ASP 42 H ASP 42 10.197 0.120 3.502 303 HA ASP 42 HA ASP 42 9.735 -0.243 6.344 304 HB2 ASP 42 1HB ASP 42 11.924 0.645 6.692 305 HB3 ASP 42 2HB ASP 42 12.079 -0.406 5.299 306 H ARG 43 H ARG 43 9.099 1.817 3.635 307 HA ARG 43 HA ARG 43 9.208 4.287 4.945 308 HB2 ARG 43 1HB ARG 43 8.028 3.238 2.369 309 HB3 ARG 43 2HB ARG 43 7.498 4.814 2.922 310 HG2 ARG 43 1HG ARG 43 10.345 4.766 3.232 311 HG3 ARG 43 2HG ARG 43 10.010 4.080 1.655 312 HD2 ARG 43 1HD ARG 43 8.277 6.358 1.970 313 HD3 ARG 43 2HD ARG 43 9.881 6.856 2.472 314 HE ARG 43 HE ARG 43 9.046 6.181 -0.234 315 HH11 ARG 43 2HH2 ARG 43 11.806 6.224 1.948 316 HH12 ARG 43 1HH2 ARG 43 12.975 6.322 0.673 317 HH21 ARG 43 2HH1 ARG 43 10.587 6.312 -1.916 318 HH22 ARG 43 1HH1 ARG 43 12.276 6.373 -1.539 319 H PHE 44 H PHE 44 7.080 1.605 5.194 320 HA PHE 44 HA PHE 44 5.397 2.920 7.005 321 HB2 PHE 44 1HB PHE 44 3.295 2.572 5.494 322 HB3 PHE 44 2HB PHE 44 4.321 3.929 5.075 323 HD1 PHE 44 2HD PHE 44 3.831 0.327 4.244 324 HD2 PHE 44 1HD PHE 44 5.045 4.159 2.887 325 HE1 PHE 44 2HE PHE 44 4.070 -0.575 1.914 326 HE2 PHE 44 1HE PHE 44 5.284 3.258 0.556 327 HZ PHE 44 HZ PHE 44 4.794 0.902 0.098 328 H ILE 45 H ILE 45 3.262 1.388 7.302 329 HA ILE 45 HA ILE 45 4.401 -1.289 7.496 330 HB ILE 45 HB ILE 45 2.093 0.085 8.864 331 HG12 ILE 45 1HG1 ILE 45 4.523 -1.120 10.172 332 HG13 ILE 45 2HG1 ILE 45 4.595 0.487 9.478 333 HG21 ILE 45 1HG2 ILE 45 2.618 -2.378 10.124 334 HG22 ILE 45 2HG2 ILE 45 1.156 -1.890 9.235 335 HG23 ILE 45 3HG2 ILE 45 2.475 -2.729 8.385 336 HD11 ILE 45 1HD1 ILE 45 2.227 0.638 10.890 337 HD12 ILE 45 2HD1 ILE 45 3.186 -0.457 11.914 338 HD13 ILE 45 3HD1 ILE 45 3.809 1.162 11.515 339 H LEU 46 H LEU 46 4.138 -2.311 5.539 340 HA LEU 46 HA LEU 46 1.775 -1.931 3.997 341 HB2 LEU 46 1HB LEU 46 3.979 -2.354 3.020 342 HB3 LEU 46 2HB LEU 46 4.019 -3.941 3.763 343 HG LEU 46 HG LEU 46 2.029 -4.595 2.420 344 HD11 LEU 46 1HD1 LEU 46 1.817 -2.932 0.320 345 HD12 LEU 46 2HD1 LEU 46 0.786 -2.822 1.766 346 HD13 LEU 46 3HD1 LEU 46 2.195 -1.749 1.595 347 HD21 LEU 46 1HD2 LEU 46 3.507 -5.454 1.011 348 HD22 LEU 46 2HD2 LEU 46 3.681 -3.884 0.190 349 HD23 LEU 46 3HD2 LEU 46 4.717 -4.280 1.582 350 H GLN 47 H GLN 47 -0.167 -2.666 4.680 351 HA GLN 47 HA GLN 47 -0.188 -5.087 6.255 352 HB2 GLN 47 1HB GLN 47 -1.504 -2.821 6.707 353 HB3 GLN 47 2HB GLN 47 -2.664 -3.492 5.578 354 HG2 GLN 47 1HG GLN 47 -2.571 -5.653 7.032 355 HG3 GLN 47 2HG GLN 47 -1.747 -4.675 8.229 356 HE21 GLN 47 1HE2 GLN 47 -2.849 -2.413 8.494 357 HE22 GLN 47 2HE2 GLN 47 -4.557 -2.447 8.778 358 H GLU 48 H GLU 48 0.006 -6.868 4.905 359 HA GLU 48 HA GLU 48 -1.337 -6.868 2.395 360 HB2 GLU 48 1HB GLU 48 0.644 -8.552 3.815 361 HB3 GLU 48 2HB GLU 48 -0.469 -9.472 2.822 362 HG2 GLU 48 1HG GLU 48 0.286 -8.527 0.835 363 HG3 GLU 48 2HG GLU 48 0.676 -6.991 1.581 364 H VAL 49 H VAL 49 -3.563 -6.979 2.485 365 HA VAL 49 HA VAL 49 -4.786 -8.694 4.475 366 HB VAL 49 HB VAL 49 -5.903 -6.802 2.397 367 HG11 VAL 49 1HG1 VAL 49 -7.926 -7.148 4.174 368 HG12 VAL 49 2HG1 VAL 49 -7.769 -8.061 2.654 369 HG13 VAL 49 3HG1 VAL 49 -7.209 -8.777 4.184 370 HG21 VAL 49 1HG2 VAL 49 -6.525 -5.968 5.023 371 HG22 VAL 49 2HG2 VAL 49 -4.801 -6.409 5.037 372 HG23 VAL 49 3HG2 VAL 49 -5.403 -5.205 3.872 373 H ASP 50 H ASP 50 -5.882 -10.611 4.045 374 HA ASP 50 HA ASP 50 -5.319 -11.680 1.416 375 HB2 ASP 50 1HB ASP 50 -5.985 -12.861 4.123 376 HB3 ASP 50 2HB ASP 50 -6.267 -13.825 2.688 377 H ILE 51 H ILE 51 -7.032 -11.133 0.018 378 HA ILE 51 HA ILE 51 -9.707 -10.927 1.021 379 HB ILE 51 HB ILE 51 -10.264 -10.342 -1.271 380 HG12 ILE 51 1HG1 ILE 51 -7.365 -10.739 -2.025 381 HG13 ILE 51 2HG1 ILE 51 -8.567 -11.992 -2.262 382 HG21 ILE 51 1HG2 ILE 51 -7.799 -8.766 -0.988 383 HG22 ILE 51 2HG2 ILE 51 -9.503 -8.253 -1.005 384 HG23 ILE 51 3HG2 ILE 51 -8.776 -8.876 0.495 385 HD11 ILE 51 1HD1 ILE 51 -9.145 -10.992 -4.208 386 HD12 ILE 51 2HD1 ILE 51 -9.755 -9.610 -3.266 387 HD13 ILE 51 3HD1 ILE 51 -8.076 -9.613 -3.858 388 H THR 52 H THR 52 -7.650 -13.383 -0.451 389 HA THR 52 HA THR 52 -9.600 -15.026 -1.565 390 HB THR 52 HB THR 52 -7.749 -16.799 -1.030 391 HG1 THR 52 1HG THR 52 -7.083 -15.255 0.813 392 HG21 THR 52 1HG2 THR 52 -7.630 -14.415 -2.775 393 HG22 THR 52 2HG2 THR 52 -6.014 -14.976 -2.284 394 HG23 THR 52 3HG2 THR 52 -7.125 -16.087 -3.121 395 H LEU 53 H LEU 53 -9.087 -14.151 1.737 396 HA LEU 53 HA LEU 53 -10.031 -16.567 2.882 397 HB2 LEU 53 1HB LEU 53 -9.658 -13.754 3.881 398 HB3 LEU 53 2HB LEU 53 -10.381 -14.998 4.881 399 HG LEU 53 HG LEU 53 -7.595 -15.059 3.690 400 HD11 LEU 53 1HD1 LEU 53 -6.982 -15.040 6.180 401 HD12 LEU 53 2HD1 LEU 53 -7.533 -13.515 5.447 402 HD13 LEU 53 3HD1 LEU 53 -8.646 -14.472 6.454 403 HD21 LEU 53 1HD2 LEU 53 -7.459 -17.053 5.400 404 HD22 LEU 53 2HD2 LEU 53 -9.214 -17.135 5.113 405 HD23 LEU 53 3HD2 LEU 53 -8.081 -17.299 3.750 406 HA PRO 54 HA PRO 54 -14.289 -16.031 2.442 407 HB2 PRO 54 1HB PRO 54 -15.287 -17.266 4.666 408 HB3 PRO 54 2HB PRO 54 -14.731 -18.140 3.253 409 HG2 PRO 54 1HG PRO 54 -13.404 -17.821 5.875 410 HG3 PRO 54 2HG PRO 54 -13.091 -19.008 4.624 411 HD2 PRO 54 1HD PRO 54 -11.518 -16.684 5.218 412 HD3 PRO 54 2HD PRO 54 -11.272 -17.807 3.895 413 H GLU 55 H GLU 55 -13.041 -15.055 5.559 414 HA GLU 55 HA GLU 55 -15.300 -13.517 6.176 415 HB2 GLU 55 1HB GLU 55 -13.871 -12.572 7.971 416 HB3 GLU 55 2HB GLU 55 -13.751 -14.319 7.907 417 HG2 GLU 55 1HG GLU 55 -11.644 -14.103 6.544 418 HG3 GLU 55 2HG GLU 55 -11.755 -12.359 6.677 419 H ASN 56 H ASN 56 -12.258 -12.914 4.402 420 HA ASN 56 HA ASN 56 -12.851 -10.106 4.265 421 HB2 ASN 56 1HB ASN 56 -10.605 -11.806 3.059 422 HB3 ASN 56 2HB ASN 56 -10.709 -10.067 2.869 423 HD21 ASN 56 1HD2 ASN 56 -8.862 -12.031 4.290 424 HD22 ASN 56 2HD2 ASN 56 -8.641 -11.375 5.878 425 H SER 57 H SER 57 -14.212 -12.710 2.875 426 HA SER 57 HA SER 57 -13.891 -12.707 0.228 427 HB2 SER 57 1HB SER 57 -15.425 -14.273 1.067 428 HB3 SER 57 2HB SER 57 -16.313 -13.074 1.988 429 HG SER 57 HG SER 57 -17.218 -12.251 0.028 430 H THR 58 H THR 58 -15.300 -10.151 2.218 431 HA THR 58 HA THR 58 -16.681 -8.827 0.106 432 HB THR 58 HB THR 58 -15.800 -8.158 2.947 433 HG1 THR 58 1HG THR 58 -17.658 -9.571 2.484 434 HG21 THR 58 1HG2 THR 58 -17.736 -6.290 2.260 435 HG22 THR 58 2HG2 THR 58 -15.996 -5.932 2.372 436 HG23 THR 58 3HG2 THR 58 -16.725 -6.316 0.795 437 H TRP 59 H TRP 59 -13.407 -8.542 1.573 438 HA TRP 59 HA TRP 59 -12.674 -6.228 0.196 439 HB2 TRP 59 1HB TRP 59 -11.194 -8.471 1.521 440 HB3 TRP 59 2HB TRP 59 -10.312 -7.298 0.563 441 HD1 TRP 59 HD TRP 59 -11.361 -7.793 4.033 442 HE1 TRP 59 1HE TRP 59 -11.293 -5.605 5.506 443 HE3 TRP 59 3HE TRP 59 -11.009 -4.548 0.134 444 HZ2 TRP 59 2HZ TRP 59 -11.104 -2.825 4.890 445 HZ3 TRP 59 3HZ TRP 59 -10.888 -2.114 0.657 446 HH2 TRP 59 HH TRP 59 -10.931 -1.238 2.938 447 H TYR 60 H TYR 60 -13.364 -9.451 -0.862 448 HA TYR 60 HA TYR 60 -11.695 -9.182 -3.240 449 HB2 TYR 60 1HB TYR 60 -11.923 -11.309 -1.792 450 HB3 TYR 60 2HB TYR 60 -13.624 -11.356 -2.212 451 HD1 TYR 60 2HD TYR 60 -14.260 -11.648 -4.677 452 HD2 TYR 60 1HD TYR 60 -10.293 -12.281 -3.206 453 HE1 TYR 60 2HE TYR 60 -13.703 -13.015 -6.746 454 HE2 TYR 60 1HE TYR 60 -9.749 -13.646 -5.281 455 HH TYR 60 HH TYR 60 -10.523 -13.836 -7.561 456 H GLU 61 H GLU 61 -15.155 -9.865 -2.348 457 HA GLU 61 HA GLU 61 -16.166 -9.816 -4.863 458 HB2 GLU 61 1HB GLU 61 -17.366 -8.950 -2.207 459 HB3 GLU 61 2HB GLU 61 -18.317 -8.987 -3.679 460 HG2 GLU 61 1HG GLU 61 -17.209 -11.466 -3.841 461 HG3 GLU 61 2HG GLU 61 -17.166 -11.268 -2.100 462 H ARG 62 H ARG 62 -14.785 -7.194 -3.037 463 HA ARG 62 HA ARG 62 -16.124 -5.255 -4.713 464 HB2 ARG 62 1HB ARG 62 -15.318 -3.577 -3.157 465 HB3 ARG 62 2HB ARG 62 -15.919 -4.912 -2.194 466 HG2 ARG 62 1HG ARG 62 -13.632 -5.772 -1.866 467 HG3 ARG 62 2HG ARG 62 -12.982 -4.564 -2.956 468 HD2 ARG 62 1HD ARG 62 -14.249 -4.101 -0.222 469 HD3 ARG 62 2HD ARG 62 -12.600 -3.756 -0.705 470 HE ARG 62 HE ARG 62 -14.099 -2.231 -2.466 471 HH11 ARG 62 2HH2 ARG 62 -14.003 -2.516 1.040 472 HH12 ARG 62 1HH2 ARG 62 -14.495 -0.878 1.315 473 HH21 ARG 62 2HH1 ARG 62 -14.747 -0.069 -2.104 474 HH22 ARG 62 1HH1 ARG 62 -14.921 0.523 -0.486 475 H TYR 63 H TYR 63 -12.955 -6.737 -3.984 476 HA TYR 63 HA TYR 63 -11.857 -5.316 -6.309 477 HB2 TYR 63 1HB TYR 63 -10.655 -5.977 -3.549 478 HB3 TYR 63 2HB TYR 63 -9.680 -5.404 -4.888 479 HD1 TYR 63 1HD TYR 63 -11.390 -3.278 -6.043 480 HD2 TYR 63 2HD TYR 63 -10.597 -4.267 -1.957 481 HE1 TYR 63 1HE TYR 63 -11.873 -0.877 -5.360 482 HE2 TYR 63 2HE TYR 63 -11.082 -1.863 -1.288 483 HH TYR 63 HH TYR 63 -12.661 0.271 -3.260 484 H LYS 64 H LYS 64 -12.701 -7.434 -7.291 485 HA LYS 64 HA LYS 64 -10.782 -9.591 -6.756 486 HB2 LYS 64 1HB LYS 64 -12.461 -11.118 -7.636 487 HB3 LYS 64 2HB LYS 64 -13.105 -10.196 -6.292 488 HG2 LYS 64 1HG LYS 64 -14.064 -8.557 -8.043 489 HG3 LYS 64 2HG LYS 64 -13.630 -9.739 -9.261 490 HD2 LYS 64 1HD LYS 64 -15.313 -11.193 -8.654 491 HD3 LYS 64 2HD LYS 64 -15.133 -10.857 -6.943 492 HE2 LYS 64 1HE LYS 64 -16.084 -8.423 -7.907 493 HE3 LYS 64 2HE LYS 64 -16.915 -9.570 -8.940 494 HZ1 LYS 64 1HZ LYS 64 -17.361 -9.012 -6.228 495 HZ2 LYS 64 2HZ LYS 64 -18.266 -9.905 -7.253 496 HZ3 LYS 64 3HZ LYS 64 -17.053 -10.605 -6.414 497 H PHE 65 H PHE 65 -11.425 -6.998 -8.799 498 HA PHE 65 HA PHE 65 -9.805 -8.242 -10.871 499 HB2 PHE 65 1HB PHE 65 -11.502 -6.866 -12.443 500 HB3 PHE 65 2HB PHE 65 -11.923 -8.485 -11.919 501 HD1 PHE 65 2HD PHE 65 -12.261 -4.957 -10.731 502 HD2 PHE 65 1HD PHE 65 -14.022 -8.807 -11.026 503 HE1 PHE 65 2HE PHE 65 -14.368 -4.073 -9.692 504 HE2 PHE 65 1HE PHE 65 -16.129 -7.922 -9.987 505 HZ PHE 65 HZ PHE 65 -16.277 -5.566 -9.333 506 H ASP 66 H ASP 66 -9.821 -6.027 -8.599 507 HA ASP 66 HA ASP 66 -8.974 -3.863 -10.354 508 HB2 ASP 66 1HB ASP 66 -9.395 -3.540 -7.377 509 HB3 ASP 66 2HB ASP 66 -9.536 -2.332 -8.638 510 H ILE 67 H ILE 67 -8.254 -5.734 -7.328 511 HA ILE 67 HA ILE 67 -5.991 -4.689 -6.424 512 HB ILE 67 HB ILE 67 -5.250 -7.126 -6.050 513 HG12 ILE 67 1HG1 ILE 67 -7.965 -7.576 -7.320 514 HG13 ILE 67 2HG1 ILE 67 -6.421 -8.163 -7.903 515 HG21 ILE 67 1HG2 ILE 67 -6.175 -6.094 -4.211 516 HG22 ILE 67 2HG2 ILE 67 -7.727 -5.781 -5.025 517 HG23 ILE 67 3HG2 ILE 67 -7.323 -7.428 -4.482 518 HD11 ILE 67 1HD1 ILE 67 -6.487 -9.054 -5.241 519 HD12 ILE 67 2HD1 ILE 67 -8.160 -9.268 -5.811 520 HD13 ILE 67 3HD1 ILE 67 -6.815 -10.039 -6.687 521 HA PRO 68 HA PRO 68 -4.139 -5.625 -5.727 522 HB2 PRO 68 1HB PRO 68 -1.689 -4.442 -5.465 523 HB3 PRO 68 2HB PRO 68 -1.905 -6.173 -5.634 524 HG2 PRO 68 1HG PRO 68 -0.954 -4.219 -7.639 525 HG3 PRO 68 2HG PRO 68 -0.777 -5.963 -7.635 526 HD2 PRO 68 1HD PRO 68 -2.624 -4.428 -9.203 527 HD3 PRO 68 2HD PRO 68 -2.526 -6.175 -9.113 528 H VAL 69 H VAL 69 -4.964 -4.272 -4.226 529 HA VAL 69 HA VAL 69 -5.149 -1.505 -5.179 530 HB VAL 69 HB VAL 69 -6.843 -3.096 -3.244 531 HG11 VAL 69 1HG1 VAL 69 -7.209 -0.232 -4.189 532 HG12 VAL 69 2HG1 VAL 69 -8.300 -1.143 -3.118 533 HG13 VAL 69 3HG1 VAL 69 -6.659 -0.724 -2.569 534 HG21 VAL 69 1HG2 VAL 69 -8.053 -3.701 -5.014 535 HG22 VAL 69 2HG2 VAL 69 -8.299 -1.994 -5.452 536 HG23 VAL 69 3HG2 VAL 69 -6.891 -2.881 -6.084 537 H PHE 70 H PHE 70 -4.436 0.203 -3.890 538 HA PHE 70 HA PHE 70 -3.095 -0.622 -1.411 539 HB2 PHE 70 1HB PHE 70 -2.374 1.479 -3.542 540 HB3 PHE 70 2HB PHE 70 -1.485 1.277 -2.046 541 HD1 PHE 70 1HD PHE 70 -2.250 -0.238 -5.302 542 HD2 PHE 70 2HD PHE 70 0.054 -0.550 -1.752 543 HE1 PHE 70 1HE PHE 70 -0.787 -1.955 -6.402 544 HE2 PHE 70 2HE PHE 70 1.517 -2.267 -2.852 545 HZ PHE 70 HZ PHE 70 1.079 -2.949 -5.164 546 H HIS 71 H HIS 71 -3.851 0.376 0.395 547 HA HIS 71 HA HIS 71 -5.285 2.897 -0.029 548 HB2 HIS 71 1HB HIS 71 -5.780 0.753 2.057 549 HB3 HIS 71 2HB HIS 71 -6.616 2.291 1.973 550 HD1 HIS 71 1HD HIS 71 -8.486 0.041 1.823 551 HD2 HIS 71 2HD HIS 71 -6.484 1.398 -1.605 552 HE1 HIS 71 1HE HIS 71 -9.863 -0.756 -0.172 553 H LEU 72 H LEU 72 -4.354 4.667 0.866 554 HA LEU 72 HA LEU 72 -2.320 4.171 2.919 555 HB2 LEU 72 1HB LEU 72 -2.234 5.588 0.502 556 HB3 LEU 72 2HB LEU 72 -2.291 6.816 1.750 557 HG LEU 72 HG LEU 72 -0.201 4.708 1.266 558 HD11 LEU 72 1HD1 LEU 72 1.069 7.040 1.908 559 HD12 LEU 72 2HD1 LEU 72 0.672 6.508 0.257 560 HD13 LEU 72 3HD1 LEU 72 -0.405 7.639 1.110 561 HD21 LEU 72 1HD2 LEU 72 0.707 5.861 3.542 562 HD22 LEU 72 2HD2 LEU 72 -1.040 5.807 3.880 563 HD23 LEU 72 3HD2 LEU 72 -0.163 4.309 3.482 564 H ASN 73 H ASN 73 -3.010 4.517 4.956 565 HA ASN 73 HA ASN 73 -3.956 5.445 6.673 566 HB2 ASN 73 1HB ASN 73 -3.909 7.752 4.749 567 HB3 ASN 73 2HB ASN 73 -5.013 7.921 6.100 568 HD21 ASN 73 1HD2 ASN 73 -1.720 7.705 5.060 569 HD22 ASN 73 2HD2 ASN 73 -0.945 8.111 6.555 570 H GLY 74 H GLY 74 -5.556 3.615 5.567 571 HA2 GLY 74 1HA GLY 74 -7.657 2.929 5.131 572 HA3 GLY 74 2HA GLY 74 -8.137 4.175 6.266 573 H GLN 75 H GLN 75 -6.558 4.568 3.032 574 HA GLN 75 HA GLN 75 -9.038 5.443 1.909 575 HB2 GLN 75 1HB GLN 75 -7.915 7.437 3.181 576 HB3 GLN 75 2HB GLN 75 -6.752 7.436 1.871 577 HG2 GLN 75 1HG GLN 75 -8.372 8.959 1.093 578 HG3 GLN 75 2HG GLN 75 -8.842 7.476 0.286 579 HE21 GLN 75 1HE2 GLN 75 -10.055 10.045 1.741 580 HE22 GLN 75 2HE2 GLN 75 -11.494 9.424 2.479 581 H PHE 76 H PHE 76 -9.091 4.713 -0.177 582 HA PHE 76 HA PHE 76 -7.104 3.258 -1.312 583 HB2 PHE 76 1HB PHE 76 -9.113 3.086 -2.497 584 HB3 PHE 76 2HB PHE 76 -9.578 4.728 -2.101 585 HD1 PHE 76 2HD PHE 76 -7.303 2.805 -4.333 586 HD2 PHE 76 1HD PHE 76 -9.516 6.378 -3.742 587 HE1 PHE 76 2HE PHE 76 -6.776 3.521 -6.681 588 HE2 PHE 76 1HE PHE 76 -8.988 7.093 -6.089 589 HZ PHE 76 HZ PHE 76 -7.625 5.656 -7.531 590 H LEU 77 H LEU 77 -5.025 3.825 -1.755 591 HA LEU 77 HA LEU 77 -4.471 6.572 -2.496 592 HB2 LEU 77 1HB LEU 77 -2.655 6.198 -1.318 593 HB3 LEU 77 2HB LEU 77 -3.129 4.529 -1.074 594 HG LEU 77 HG LEU 77 -2.042 4.076 -3.374 595 HD11 LEU 77 1HD1 LEU 77 -1.893 6.579 -3.868 596 HD12 LEU 77 2HD1 LEU 77 -0.498 6.594 -2.762 597 HD13 LEU 77 3HD1 LEU 77 -0.462 5.584 -4.228 598 HD21 LEU 77 1HD2 LEU 77 -0.590 3.079 -2.030 599 HD22 LEU 77 2HD2 LEU 77 0.290 4.617 -1.862 600 HD23 LEU 77 3HD2 LEU 77 -0.998 4.198 -0.708 601 H MET 78 H MET 78 -4.244 3.228 -3.834 602 HA MET 78 HA MET 78 -4.797 4.088 -6.398 603 HB2 MET 78 1HB MET 78 -2.648 4.038 -7.495 604 HB3 MET 78 2HB MET 78 -2.383 5.001 -6.055 605 HG2 MET 78 1HG MET 78 -1.593 2.871 -4.876 606 HG3 MET 78 2HG MET 78 -1.688 2.049 -6.420 607 HE1 MET 78 1HE MET 78 0.820 1.670 -5.309 608 HE2 MET 78 2HE MET 78 2.144 2.836 -5.540 609 HE3 MET 78 3HE MET 78 0.947 3.093 -4.248 610 H MET 79 H MET 79 -4.877 2.282 -7.935 611 HA MET 79 HA MET 79 -4.082 -0.276 -6.891 612 HB2 MET 79 1HB MET 79 -6.425 -1.200 -7.292 613 HB3 MET 79 2HB MET 79 -6.346 -0.064 -5.960 614 HG2 MET 79 1HG MET 79 -7.230 1.746 -7.361 615 HG3 MET 79 2HG MET 79 -7.121 0.752 -8.800 616 HE1 MET 79 1HE MET 79 -10.864 1.402 -6.957 617 HE2 MET 79 2HE MET 79 -9.356 2.314 -6.705 618 HE3 MET 79 3HE MET 79 -9.948 2.011 -8.356 619 H HIS 80 H HIS 80 -4.470 -2.059 -8.585 620 HA HIS 80 HA HIS 80 -4.620 -2.787 -10.690 621 HB2 HIS 80 1HB HIS 80 -4.739 0.059 -11.706 622 HB3 HIS 80 2HB HIS 80 -5.169 -1.405 -12.567 623 HD1 HIS 80 1HD HIS 80 -7.432 0.293 -12.758 624 HD2 HIS 80 2HD HIS 80 -6.745 -1.768 -9.170 625 HE1 HIS 80 1HE HIS 80 -9.662 0.252 -11.519 626 H ARG 81 H ARG 81 -2.299 -1.353 -9.030 627 HA ARG 81 HA ARG 81 -0.218 -2.402 -10.252 628 HB2 ARG 81 1HB ARG 81 -1.111 -0.079 -11.808 629 HB3 ARG 81 2HB ARG 81 0.528 0.162 -11.236 630 HG2 ARG 81 1HG ARG 81 0.049 -2.571 -12.279 631 HG3 ARG 81 2HG ARG 81 -0.202 -1.322 -13.482 632 HD2 ARG 81 1HD ARG 81 2.048 -1.180 -13.749 633 HD3 ARG 81 2HD ARG 81 2.176 -0.566 -12.112 634 HE ARG 81 HE ARG 81 1.921 -3.381 -11.902 635 HH11 ARG 81 2HH2 ARG 81 4.203 -1.052 -13.226 636 HH12 ARG 81 1HH2 ARG 81 5.577 -2.084 -13.010 637 HH21 ARG 81 2HH1 ARG 81 3.734 -4.742 -11.616 638 HH22 ARG 81 1HH1 ARG 81 5.309 -4.197 -12.088 639 H VAL 82 H VAL 82 1.893 -0.544 -9.976 640 HA VAL 82 HA VAL 82 1.405 0.658 -7.345 641 HB VAL 82 HB VAL 82 3.812 -0.984 -8.160 642 HG11 VAL 82 1HG1 VAL 82 4.773 0.390 -6.625 643 HG12 VAL 82 2HG1 VAL 82 3.222 0.804 -5.857 644 HG13 VAL 82 3HG1 VAL 82 4.015 -0.745 -5.482 645 HG21 VAL 82 1HG2 VAL 82 2.749 -2.256 -5.998 646 HG22 VAL 82 2HG2 VAL 82 1.273 -1.680 -6.809 647 HG23 VAL 82 3HG2 VAL 82 2.428 -2.708 -7.690 648 H ASN 83 H ASN 83 1.141 2.684 -8.484 649 HA ASN 83 HA ASN 83 3.308 3.553 -10.117 650 HB2 ASN 83 1HB ASN 83 0.693 4.761 -9.148 651 HB3 ASN 83 2HB ASN 83 1.899 5.805 -9.873 652 HD21 ASN 83 1HD2 ASN 83 2.230 5.807 -12.016 653 HD22 ASN 83 2HD2 ASN 83 1.362 4.846 -13.167 654 H THR 84 H THR 84 4.993 3.327 -8.345 655 HA THR 84 HA THR 84 5.061 4.370 -5.895 656 HB THR 84 HB THR 84 7.544 4.957 -6.565 657 HG1 THR 84 1HG THR 84 7.916 3.993 -8.758 658 HG21 THR 84 1HG2 THR 84 6.631 2.186 -7.448 659 HG22 THR 84 2HG2 THR 84 8.164 2.642 -6.667 660 HG23 THR 84 3HG2 THR 84 6.652 2.642 -5.727 661 H SER 85 H SER 85 5.441 6.324 -8.910 662 HA SER 85 HA SER 85 6.090 8.687 -7.937 663 HB2 SER 85 1HB SER 85 4.572 7.723 -10.221 664 HB3 SER 85 2HB SER 85 3.901 9.248 -9.681 665 HG SER 85 HG SER 85 6.108 8.875 -11.150 666 H LYS 86 H LYS 86 2.778 7.230 -7.828 667 HA LYS 86 HA LYS 86 1.614 9.479 -6.561 668 HB2 LYS 86 1HB LYS 86 0.689 7.230 -7.856 669 HB3 LYS 86 2HB LYS 86 0.299 6.872 -6.186 670 HG2 LYS 86 1HG LYS 86 -0.385 9.608 -6.526 671 HG3 LYS 86 2HG LYS 86 -0.933 8.820 -7.993 672 HD2 LYS 86 1HD LYS 86 -2.710 7.961 -6.884 673 HD3 LYS 86 2HD LYS 86 -1.633 7.089 -5.811 674 HE2 LYS 86 1HE LYS 86 -1.871 8.617 -4.107 675 HE3 LYS 86 2HE LYS 86 -1.850 9.991 -5.195 676 HZ1 LYS 86 1HZ LYS 86 -4.151 8.184 -5.043 677 HZ2 LYS 86 2HZ LYS 86 -4.004 9.482 -4.063 678 HZ3 LYS 86 3HZ LYS 86 -4.093 9.686 -5.681 679 H LEU 87 H LEU 87 2.378 6.147 -5.314 680 HA LEU 87 HA LEU 87 1.852 6.491 -2.715 681 HB2 LEU 87 1HB LEU 87 2.529 4.388 -3.265 682 HB3 LEU 87 2HB LEU 87 3.894 4.939 -4.216 683 HG LEU 87 HG LEU 87 5.155 5.444 -2.182 684 HD11 LEU 87 1HD1 LEU 87 4.354 4.985 0.023 685 HD12 LEU 87 2HD1 LEU 87 3.164 6.034 -0.784 686 HD13 LEU 87 3HD1 LEU 87 2.839 4.293 -0.607 687 HD21 LEU 87 1HD2 LEU 87 5.562 3.174 -1.440 688 HD22 LEU 87 2HD2 LEU 87 3.998 2.644 -2.106 689 HD23 LEU 87 3HD2 LEU 87 5.289 3.200 -3.199 690 H GLU 88 H GLU 88 5.205 7.049 -4.011 691 HA GLU 88 HA GLU 88 6.282 8.178 -1.865 692 HB2 GLU 88 1HB GLU 88 6.691 9.289 -4.673 693 HB3 GLU 88 2HB GLU 88 7.847 9.310 -3.356 694 HG2 GLU 88 1HG GLU 88 7.224 6.603 -3.526 695 HG3 GLU 88 2HG GLU 88 7.133 7.099 -5.204 696 H LYS 89 H LYS 89 4.382 9.961 -4.396 697 HA LYS 89 HA LYS 89 4.582 12.484 -3.420 698 HB2 LYS 89 1HB LYS 89 3.324 11.444 -5.485 699 HB3 LYS 89 2HB LYS 89 1.933 11.480 -4.420 700 HG2 LYS 89 1HG LYS 89 3.696 13.933 -4.797 701 HG3 LYS 89 2HG LYS 89 2.388 13.574 -5.907 702 HD2 LYS 89 1HD LYS 89 0.843 13.431 -3.844 703 HD3 LYS 89 2HD LYS 89 2.169 14.094 -2.911 704 HE2 LYS 89 1HE LYS 89 1.910 15.742 -5.244 705 HE3 LYS 89 2HE LYS 89 0.289 15.487 -4.631 706 HZ1 LYS 89 1HZ LYS 89 1.080 17.278 -3.448 707 HZ2 LYS 89 2HZ LYS 89 1.315 16.051 -2.397 708 HZ3 LYS 89 3HZ LYS 89 2.576 16.656 -3.241 709 H GLN 90 H GLN 90 1.885 10.187 -2.587 710 HA GLN 90 HA GLN 90 0.783 11.730 -0.646 711 HB2 GLN 90 1HB GLN 90 0.963 8.695 -0.851 712 HB3 GLN 90 2HB GLN 90 -0.078 9.519 0.293 713 HG2 GLN 90 1HG GLN 90 -0.189 9.769 -2.749 714 HG3 GLN 90 2HG GLN 90 -1.349 8.933 -1.738 715 HE21 GLN 90 1HE2 GLN 90 -0.041 12.021 -2.704 716 HE22 GLN 90 2HE2 GLN 90 -1.324 13.030 -2.123 717 H LEU 91 H LEU 91 3.286 9.124 -0.240 718 HA LEU 91 HA LEU 91 3.635 9.079 2.398 719 HB2 LEU 91 1HB LEU 91 5.576 8.989 0.123 720 HB3 LEU 91 2HB LEU 91 6.180 8.954 1.767 721 HG LEU 91 HG LEU 91 4.145 6.995 0.673 722 HD11 LEU 91 1HD1 LEU 91 7.107 7.038 0.518 723 HD12 LEU 91 2HD1 LEU 91 6.355 5.495 0.990 724 HD13 LEU 91 3HD1 LEU 91 5.904 6.272 -0.547 725 HD21 LEU 91 1HD2 LEU 91 3.934 6.219 2.740 726 HD22 LEU 91 2HD2 LEU 91 5.699 6.064 2.915 727 HD23 LEU 91 3HD2 LEU 91 4.897 7.602 3.315 728 H ARG 92 H ARG 92 5.363 11.477 0.274 729 HA ARG 92 HA ARG 92 6.603 12.915 2.086 730 HB2 ARG 92 1HB ARG 92 5.012 13.833 -0.342 731 HB3 ARG 92 2HB ARG 92 5.925 14.988 0.608 732 HG2 ARG 92 1HG ARG 92 7.948 13.365 0.312 733 HG3 ARG 92 2HG ARG 92 6.987 12.584 -0.928 734 HD2 ARG 92 1HD ARG 92 6.934 14.558 -2.297 735 HD3 ARG 92 2HD ARG 92 7.435 15.594 -0.975 736 HE ARG 92 HE ARG 92 9.569 13.878 -1.182 737 HH11 ARG 92 2HH2 ARG 92 7.824 15.787 -3.569 738 HH12 ARG 92 1HH2 ARG 92 9.199 15.984 -4.604 739 HH21 ARG 92 2HH1 ARG 92 11.383 14.138 -2.547 740 HH22 ARG 92 1HH1 ARG 92 11.237 15.040 -4.019 741 H LYS 93 H LYS 93 3.213 13.741 1.013 742 HA LYS 93 HA LYS 93 2.854 15.080 3.594 743 HB2 LYS 93 1HB LYS 93 1.597 15.457 0.877 744 HB3 LYS 93 2HB LYS 93 0.824 16.066 2.327 745 HG2 LYS 93 1HG LYS 93 3.672 16.740 2.333 746 HG3 LYS 93 2HG LYS 93 2.919 17.296 0.852 747 HD2 LYS 93 1HD LYS 93 1.173 17.855 3.126 748 HD3 LYS 93 2HD LYS 93 2.772 18.508 3.426 749 HE2 LYS 93 1HE LYS 93 2.684 19.582 1.110 750 HE3 LYS 93 2HE LYS 93 1.017 19.057 0.987 751 HZ1 LYS 93 1HZ LYS 93 1.285 20.297 3.428 752 HZ2 LYS 93 2HZ LYS 93 2.038 21.264 2.350 753 HZ3 LYS 93 3HZ LYS 93 0.477 20.846 2.120 754 H LEU 94 H LEU 94 2.088 13.657 5.083 755 HA LEU 94 HA LEU 94 -0.486 12.635 4.827 756 HB2 LEU 94 1HB LEU 94 0.995 11.141 3.244 757 HB3 LEU 94 2HB LEU 94 1.459 10.366 4.746 758 HG LEU 94 HG LEU 94 -0.874 9.813 5.226 759 HD11 LEU 94 1HD1 LEU 94 -1.386 11.739 3.093 760 HD12 LEU 94 2HD1 LEU 94 -2.284 10.216 2.881 761 HD13 LEU 94 3HD1 LEU 94 -2.452 11.146 4.389 762 HD21 LEU 94 1HD2 LEU 94 0.454 8.926 2.715 763 HD22 LEU 94 2HD2 LEU 94 0.006 8.006 4.171 764 HD23 LEU 94 3HD2 LEU 94 -1.237 8.433 2.971 765 H SER 95 H SER 95 2.661 11.441 6.210 766 HA SER 95 HA SER 95 1.831 10.643 8.585 767 HB2 SER 95 1HB SER 95 4.318 11.683 7.487 768 HB3 SER 95 2HB SER 95 4.170 12.168 9.164 769 HG SER 95 HG SER 95 4.653 10.171 9.737 770 H GLY 96 H GLY 96 1.619 11.599 10.757 771 HA2 GLY 96 1HA GLY 96 1.811 13.937 11.815 772 HA3 GLY 96 2HA GLY 96 0.598 14.357 10.622 773 HA PRO 97 HA PRO 97 -1.618 12.770 14.256 774 HB2 PRO 97 1HB PRO 97 -3.221 14.940 14.694 775 HB3 PRO 97 2HB PRO 97 -1.698 14.691 15.524 776 HG2 PRO 97 1HG PRO 97 -2.327 16.567 13.327 777 HG3 PRO 97 2HG PRO 97 -0.972 16.592 14.438 778 HD2 PRO 97 1HD PRO 97 -0.930 15.738 11.700 779 HD3 PRO 97 2HD PRO 97 0.395 15.655 12.844 780 H SER 98 H SER 98 -2.619 11.113 13.193 781 HA SER 98 HA SER 98 -4.154 11.305 11.041 782 HB2 SER 98 1HB SER 98 -4.679 9.588 13.507 783 HB3 SER 98 2HB SER 98 -5.442 9.319 11.952 784 HG SER 98 HG SER 98 -3.144 9.219 11.086 785 H SER 99 H SER 99 -5.951 12.473 10.475 786 HA SER 99 HA SER 99 -7.596 13.435 12.672 787 HB2 SER 99 1HB SER 99 -6.450 15.045 11.000 788 HB3 SER 99 2HB SER 99 -7.601 14.470 9.811 789 HG SER 99 HG SER 99 -9.183 15.040 11.780 790 H GLY 100 H GLY 100 -8.905 11.521 12.909 791 HA2 GLY 100 1HA GLY 100 -11.129 11.391 11.118 792 HA3 GLY 100 2HA GLY 100 -10.059 10.016 10.925
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