NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
638640 | 6nan | 27051 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLU 13 1H GLU 13 1.508 -2.016 1.239 2 HA GLU 13 HA GLU 13 2.860 -0.889 -0.340 3 HB2 GLU 13 1HB GLU 13 -0.089 -0.127 -0.354 4 HB3 GLU 13 2HB GLU 13 0.983 0.012 -1.740 5 HG2 GLU 13 1HG GLU 13 1.355 -2.428 -1.688 6 HG3 GLU 13 2HG GLU 13 0.259 -2.557 -0.314 7 H SER 14 H SER 14 4.131 0.582 1.078 8 HA SER 14 HA SER 14 3.085 3.197 1.707 9 HB2 SER 14 1HB SER 14 5.344 3.714 2.404 10 HB3 SER 14 2HB SER 14 4.924 2.101 2.962 11 HG SER 14 HG SER 14 6.892 2.880 1.379 12 H TRP 15 H TRP 15 4.453 1.781 -1.122 13 HA TRP 15 HA TRP 15 5.492 4.124 -2.375 14 HB2 TRP 15 1HB TRP 15 5.262 2.873 -4.472 15 HB3 TRP 15 2HB TRP 15 5.927 1.842 -3.212 16 HD1 TRP 15 HD1 TRP 15 4.547 -0.295 -2.514 17 HE1 TRP 15 HE1 TRP 15 2.414 -1.430 -3.436 18 HE3 TRP 15 HE3 TRP 15 2.904 3.481 -5.571 19 HZ2 TRP 15 HZ2 TRP 15 0.325 -0.784 -5.221 20 HZ3 TRP 15 HZ3 TRP 15 0.831 3.158 -6.860 21 HH2 TRP 15 HH2 TRP 15 -0.445 1.062 -6.690 22 H VAL 16 H VAL 16 2.257 3.076 -1.734 23 HA VAL 16 HA VAL 16 0.892 4.629 -3.712 24 HB VAL 16 HB VAL 16 0.062 3.753 -0.914 25 HG11 VAL 16 1HG1 VAL 16 -2.234 4.241 -1.605 26 HG12 VAL 16 2HG1 VAL 16 -1.224 5.705 -1.569 27 HG13 VAL 16 3HG1 VAL 16 -1.627 4.940 -3.125 28 HG21 VAL 16 1HG2 VAL 16 -1.223 2.044 -2.159 29 HG22 VAL 16 2HG2 VAL 16 -0.578 2.678 -3.692 30 HG23 VAL 16 3HG2 VAL 16 0.517 1.922 -2.509 31 H SER 17 H SER 17 1.906 5.359 -0.364 32 HA SER 17 HA SER 17 0.903 8.000 -0.232 33 HB2 SER 17 1HB SER 17 3.376 6.763 1.020 34 HB3 SER 17 2HB SER 17 2.750 8.349 1.443 35 HG SER 17 HG SER 17 1.211 7.484 2.498 36 H CYS 18 H CYS 18 3.992 6.761 -1.498 37 HA CYS 18 HA CYS 18 5.247 9.195 -2.102 38 HB2 CYS 18 1HB CYS 18 6.357 7.028 -2.387 39 HB3 CYS 18 2HB CYS 18 5.252 6.596 -3.685 40 H LEU 19 H LEU 19 2.776 7.412 -3.940 41 HA LEU 19 HA LEU 19 2.893 9.469 -6.071 42 HB2 LEU 19 1HB LEU 19 1.382 6.836 -5.921 43 HB3 LEU 19 2HB LEU 19 1.426 7.913 -7.321 44 HG LEU 19 HG LEU 19 3.795 6.409 -6.153 45 HD11 LEU 19 1HD1 LEU 19 3.666 5.128 -8.242 46 HD12 LEU 19 2HD1 LEU 19 2.179 4.966 -7.279 47 HD13 LEU 19 3HD1 LEU 19 2.204 6.031 -8.705 48 HD21 LEU 19 1HD2 LEU 19 4.985 7.262 -8.145 49 HD22 LEU 19 2HD2 LEU 19 3.541 8.195 -8.607 50 HD23 LEU 19 3HD2 LEU 19 4.421 8.599 -7.114 51 H ASP 20 H ASP 20 1.566 9.535 -3.225 52 HA ASP 20 HA ASP 20 -1.139 10.380 -4.089 53 HB2 ASP 20 1HB ASP 20 0.191 10.007 -1.392 54 HB3 ASP 20 2HB ASP 20 -1.317 10.898 -1.543 55 HA PRO 21 HA PRO 21 -0.495 14.692 -4.235 56 HB2 PRO 21 1HB PRO 21 -2.557 14.906 -2.009 57 HB3 PRO 21 2HB PRO 21 -2.478 15.788 -3.539 58 HG2 PRO 21 1HG PRO 21 -4.207 13.779 -3.338 59 HG3 PRO 21 2HG PRO 21 -3.249 13.929 -4.814 60 HD2 PRO 21 1HD PRO 21 -2.820 12.086 -2.428 61 HD3 PRO 21 2HD PRO 21 -2.682 11.716 -4.194 62 H GLU 22 H GLU 22 0.790 16.206 -3.214 63 HA GLU 22 HA GLU 22 2.507 15.250 -1.186 64 HB2 GLU 22 1HB GLU 22 1.982 18.067 -2.202 65 HB3 GLU 22 2HB GLU 22 3.247 17.691 -1.041 66 HG2 GLU 22 1HG GLU 22 4.430 17.658 -2.994 67 HG3 GLU 22 2HG GLU 22 4.016 15.952 -2.838 68 H GLN 23 H GLN 23 2.639 15.462 0.981 69 HA GLN 23 HA GLN 23 0.372 16.292 2.530 70 HB2 GLN 23 1HB GLN 23 1.922 14.720 3.492 71 HB3 GLN 23 2HB GLN 23 3.284 15.802 3.242 72 HG2 GLN 23 1HG GLN 23 2.722 15.812 5.558 73 HG3 GLN 23 2HG GLN 23 2.253 17.392 4.870 74 HE21 GLN 23 1HE2 GLN 23 -0.930 17.152 6.198 75 HE22 GLN 23 2HE2 GLN 23 0.469 18.102 5.825 76 H VAL 24 H VAL 24 -0.258 18.186 3.295 77 HA VAL 24 HA VAL 24 1.144 20.584 2.414 78 HB VAL 24 HB VAL 24 -1.326 20.194 4.156 79 HG11 VAL 24 1HG1 VAL 24 -1.757 22.575 3.790 80 HG12 VAL 24 2HG1 VAL 24 -0.247 22.301 4.692 81 HG13 VAL 24 3HG1 VAL 24 -0.188 22.731 2.966 82 HG21 VAL 24 1HG2 VAL 24 -2.524 20.914 2.114 83 HG22 VAL 24 2HG2 VAL 24 -0.975 21.012 1.243 84 HG23 VAL 24 3HG2 VAL 24 -1.575 19.438 1.817 85 H THR 25 H THR 25 2.349 21.982 3.567 86 HA THR 25 HA THR 25 3.557 21.003 5.999 87 HB THR 25 HB THR 25 4.817 23.132 5.984 88 HG1 THR 25 HG1 THR 25 4.262 24.759 4.614 89 HG21 THR 25 1HG2 THR 25 5.878 22.886 3.774 90 HG22 THR 25 2HG2 THR 25 5.548 21.296 4.501 91 HG23 THR 25 3HG2 THR 25 4.494 21.921 3.212 92 H CYS 26 H CYS 26 3.790 22.396 7.964 93 HA CYS 26 HA CYS 26 1.242 23.745 8.660 94 HB2 CYS 26 1HB CYS 26 1.108 21.231 9.163 95 HB3 CYS 26 2HB CYS 26 2.353 21.500 10.374 96 H GLU 27 H GLU 27 1.428 25.308 10.176 97 HA GLU 27 HA GLU 27 4.213 25.867 11.073 98 HB2 GLU 27 1HB GLU 27 1.795 27.700 10.802 99 HB3 GLU 27 2HB GLU 27 3.365 28.203 11.413 100 HG2 GLU 27 1HG GLU 27 4.391 27.632 9.247 101 HG3 GLU 27 2HG GLU 27 2.815 27.136 8.635 102 H SER 28 H SER 28 1.869 24.166 12.289 103 HA SER 28 HA SER 28 1.509 25.483 14.880 104 HB2 SER 28 1HB SER 28 -0.278 24.098 13.941 105 HB3 SER 28 2HB SER 28 0.788 22.703 13.896 106 HG SER 28 HG SER 28 -0.522 23.885 15.981 107 H GLN 29 H GLN 29 3.114 22.494 13.724 108 HA GLN 29 HA GLN 29 4.642 22.455 16.283 109 HB2 GLN 29 1HB GLN 29 4.272 20.234 14.234 110 HB3 GLN 29 2HB GLN 29 5.087 20.090 15.784 111 HG2 GLN 29 1HG GLN 29 2.157 20.739 15.408 112 HG3 GLN 29 2HG GLN 29 2.835 19.140 15.824 113 HE21 GLN 29 1HE2 GLN 29 1.911 21.727 18.710 114 HE22 GLN 29 2HE2 GLN 29 1.358 21.822 17.071 115 H GLU 30 H GLU 30 6.893 21.732 16.187 116 HA GLU 30 HA GLU 30 8.251 23.068 13.913 117 HB2 GLU 30 1HB GLU 30 9.295 22.133 16.617 118 HB3 GLU 30 2HB GLU 30 10.276 22.914 15.385 119 HG2 GLU 30 1HG GLU 30 7.872 24.156 16.741 120 HG3 GLU 30 2HG GLU 30 9.555 24.439 17.181 121 H GLY 31 H GLY 31 7.211 20.037 14.653 122 HA2 GLY 31 1HA GLY 31 9.537 18.440 14.031 123 HA3 GLY 31 2HA GLY 31 7.873 17.888 14.051 124 H THR 32 H THR 32 10.078 17.376 12.126 125 HA THR 32 HA THR 32 8.784 18.483 9.667 126 HB THR 32 HB THR 32 10.957 18.326 8.538 127 HG1 THR 32 HG1 THR 32 12.689 17.448 9.509 128 HG21 THR 32 1HG2 THR 32 12.175 20.068 9.785 129 HG22 THR 32 2HG2 THR 32 10.429 20.413 9.751 130 HG23 THR 32 3HG2 THR 32 11.176 19.744 11.221 131 H HIS 33 H HIS 33 9.110 17.107 7.712 132 HA HIS 33 HA HIS 33 9.431 14.222 8.221 133 HB2 HIS 33 1HB HIS 33 7.228 13.600 7.394 134 HB3 HIS 33 2HB HIS 33 7.066 14.602 8.830 135 HD1 HIS 33 HD1 HIS 33 5.975 16.920 8.576 136 HD2 HIS 33 HD2 HIS 33 6.325 14.914 4.886 137 HE1 HIS 33 HE1 HIS 33 4.539 18.130 7.012 138 H ALA 34 H ALA 34 9.247 12.939 6.232 139 HA ALA 34 HA ALA 34 10.306 14.506 3.953 140 HB1 ALA 34 1HB ALA 34 10.957 12.303 3.035 141 HB2 ALA 34 2HB ALA 34 11.603 12.552 4.675 142 HB3 ALA 34 3HB ALA 34 10.186 11.505 4.426 143 H SER 35 H SER 35 9.458 14.474 1.902 144 HA SER 35 HA SER 35 7.021 12.915 1.378 145 HB2 SER 35 1HB SER 35 6.108 14.914 2.449 146 HB3 SER 35 2HB SER 35 7.023 15.951 1.365 147 HG SER 35 HG SER 35 5.303 13.991 0.368 148 H TYR 36 H TYR 36 6.683 12.505 -0.749 149 HA TYR 36 HA TYR 36 8.901 13.148 -2.543 150 HB2 TYR 36 1HB TYR 36 7.935 10.902 -2.597 151 HB3 TYR 36 2HB TYR 36 6.340 11.554 -2.948 152 HD1 TYR 36 HD1 TYR 36 9.809 11.349 -4.309 153 HD2 TYR 36 HD2 TYR 36 5.632 11.863 -5.147 154 HE1 TYR 36 HE1 TYR 36 10.275 11.188 -6.730 155 HE2 TYR 36 HE2 TYR 36 6.099 11.702 -7.569 156 HH TYR 36 HH TYR 36 9.417 11.368 -8.785 157 H ASN 37 H ASN 37 9.029 15.057 -3.459 158 HA ASN 37 HA ASN 37 6.565 16.547 -4.100 159 HB2 ASN 37 1HB ASN 37 8.529 17.664 -3.034 160 HB3 ASN 37 2HB ASN 37 9.472 17.334 -4.480 161 HD21 ASN 37 1HD2 ASN 37 8.193 20.775 -4.728 162 HD22 ASN 37 2HD2 ASN 37 9.227 19.884 -3.661 163 H ARG 38 H ARG 38 5.532 16.201 -5.907 164 HA ARG 38 HA ARG 38 6.736 14.663 -8.031 165 HB2 ARG 38 1HB ARG 38 4.091 16.139 -7.841 166 HB3 ARG 38 2HB ARG 38 4.555 15.143 -9.212 167 HG2 ARG 38 1HG ARG 38 4.611 13.161 -7.838 168 HG3 ARG 38 2HG ARG 38 4.336 14.127 -6.368 169 HD2 ARG 38 1HD ARG 38 2.438 13.962 -8.696 170 HD3 ARG 38 2HD ARG 38 2.324 12.990 -7.211 171 HE ARG 38 HE ARG 38 2.471 15.648 -6.395 172 HH11 ARG 38 1HH1 ARG 38 0.323 13.659 -8.337 173 HH12 ARG 38 2HH1 ARG 38 -1.102 14.593 -7.944 174 HH21 ARG 38 1HH2 ARG 38 0.613 16.854 -5.893 175 HH22 ARG 38 2HH2 ARG 38 -0.939 16.402 -6.561 176 H LYS 39 H LYS 39 6.626 18.009 -7.304 177 HA LYS 39 HA LYS 39 6.758 18.948 -10.059 178 HB2 LYS 39 1HB LYS 39 7.288 20.317 -7.395 179 HB3 LYS 39 2HB LYS 39 7.380 21.140 -8.946 180 HG2 LYS 39 1HG LYS 39 5.002 20.640 -9.362 181 HG3 LYS 39 2HG LYS 39 4.908 19.803 -7.806 182 HD2 LYS 39 1HD LYS 39 5.529 21.896 -6.641 183 HD3 LYS 39 2HD LYS 39 5.624 22.733 -8.197 184 HE2 LYS 39 1HE LYS 39 3.236 22.277 -8.603 185 HE3 LYS 39 2HE LYS 39 3.131 21.404 -7.072 186 HZ1 LYS 39 1HZ LYS 39 2.350 23.648 -6.864 187 HZ2 LYS 39 2HZ LYS 39 3.700 23.441 -5.938 188 HZ3 LYS 39 3HZ LYS 39 3.797 24.257 -7.369 189 H THR 40 H THR 40 8.993 17.681 -7.775 190 HA THR 40 HA THR 40 11.249 18.648 -9.483 191 HB THR 40 HB THR 40 12.696 18.513 -7.466 192 HG1 THR 40 HG1 THR 40 11.504 18.344 -5.417 193 HG21 THR 40 1HG2 THR 40 11.792 20.486 -6.301 194 HG22 THR 40 2HG2 THR 40 11.632 20.661 -8.064 195 HG23 THR 40 3HG2 THR 40 10.214 20.229 -7.081 196 H GLY 41 H GLY 41 9.570 15.978 -8.109 197 HA2 GLY 41 1HA GLY 41 9.750 13.732 -8.719 198 HA3 GLY 41 2HA GLY 41 11.093 14.144 -9.769 199 H GLN 42 H GLN 42 10.766 14.764 -6.272 200 HA GLN 42 HA GLN 42 12.656 12.650 -5.574 201 HB2 GLN 42 1HB GLN 42 14.420 14.123 -4.730 202 HB3 GLN 42 2HB GLN 42 14.197 14.373 -6.455 203 HG2 GLN 42 1HG GLN 42 12.919 16.407 -6.027 204 HG3 GLN 42 2HG GLN 42 13.088 16.145 -4.268 205 HE21 GLN 42 1HE2 GLN 42 15.702 18.520 -4.755 206 HE22 GLN 42 2HE2 GLN 42 14.009 18.367 -4.419 207 H CYS 43 H CYS 43 13.102 12.556 -3.267 208 HA CYS 43 HA CYS 43 10.766 13.439 -1.720 209 HB2 CYS 43 1HB CYS 43 13.202 11.783 -0.957 210 HB3 CYS 43 2HB CYS 43 11.868 12.141 0.130 211 H GLU 44 H GLU 44 10.679 15.067 -0.310 212 HA GLU 44 HA GLU 44 13.231 16.479 0.324 213 HB2 GLU 44 1HB GLU 44 10.620 17.768 -0.572 214 HB3 GLU 44 2HB GLU 44 12.033 18.642 0.004 215 HG2 GLU 44 1HG GLU 44 13.340 17.898 -1.887 216 HG3 GLU 44 2HG GLU 44 12.036 16.842 -2.426 217 H GLU 45 H GLU 45 13.339 17.544 2.279 218 HA GLU 45 HA GLU 45 11.386 16.596 4.276 219 HB2 GLU 45 1HB GLU 45 13.837 16.442 4.717 220 HB3 GLU 45 2HB GLU 45 13.955 18.194 4.627 221 HG2 GLU 45 1HG GLU 45 12.468 18.406 6.569 222 HG3 GLU 45 2HG GLU 45 12.319 16.652 6.653 223 H GLN 46 H GLN 46 9.956 17.802 5.361 224 HA GLN 46 HA GLN 46 10.040 20.743 5.100 225 HB2 GLN 46 1HB GLN 46 7.712 20.867 4.290 226 HB3 GLN 46 2HB GLN 46 8.753 20.062 3.125 227 HG2 GLN 46 1HG GLN 46 7.927 17.872 3.913 228 HG3 GLN 46 2HG GLN 46 6.830 18.723 5.038 229 HE21 GLN 46 1HE2 GLN 46 4.497 18.202 2.428 230 HE22 GLN 46 2HE2 GLN 46 5.109 17.576 3.923 231 H LYS 47 H LYS 47 8.640 21.854 6.549 232 HA LYS 47 HA LYS 47 8.365 20.312 9.049 233 HB2 LYS 47 1HB LYS 47 9.516 22.530 9.028 234 HB3 LYS 47 2HB LYS 47 8.012 23.291 8.527 235 HG2 LYS 47 1HG LYS 47 6.942 22.568 10.634 236 HG3 LYS 47 2HG LYS 47 8.462 21.815 11.138 237 HD2 LYS 47 1HD LYS 47 8.197 24.759 10.431 238 HD3 LYS 47 2HD LYS 47 8.052 24.126 12.078 239 HE2 LYS 47 1HE LYS 47 10.340 23.155 11.876 240 HE3 LYS 47 2HE LYS 47 10.482 23.870 10.268 241 HZ1 LYS 47 1HZ LYS 47 11.501 25.238 11.935 242 HZ2 LYS 47 2HZ LYS 47 10.218 26.034 11.270 243 HZ3 LYS 47 3HZ LYS 47 10.087 25.367 12.772 244 H GLY 48 H GLY 48 6.541 19.655 9.935 245 HA2 GLY 48 1HA GLY 48 4.114 20.853 10.178 246 HA3 GLY 48 2HA GLY 48 3.997 20.211 8.550 247 H THR 49 H THR 49 2.309 19.406 10.646 248 HA THR 49 HA THR 49 3.129 16.553 10.931 249 HB THR 49 HB THR 49 2.053 16.530 13.198 250 HG1 THR 49 HG1 THR 49 0.892 18.607 12.682 251 HG21 THR 49 1HG2 THR 49 3.902 17.660 14.370 252 HG22 THR 49 2HG2 THR 49 4.503 16.747 12.966 253 HG23 THR 49 3HG2 THR 49 4.335 18.515 12.872 254 H GLU 50 H GLU 50 1.728 16.754 8.875 255 HA GLU 50 HA GLU 50 -0.154 15.844 7.912 256 HB2 GLU 50 1HB GLU 50 -0.744 14.981 10.773 257 HB3 GLU 50 2HB GLU 50 -1.615 14.410 9.357 258 HG2 GLU 50 1HG GLU 50 0.518 13.482 8.466 259 HG3 GLU 50 2HG GLU 50 1.318 13.977 9.956 260 H CYS 51 H CYS 51 -0.186 18.597 8.712 261 HA CYS 51 HA CYS 51 -2.928 19.108 9.633 262 HB2 CYS 51 1HB CYS 51 -0.765 20.991 8.615 263 HB3 CYS 51 2HB CYS 51 -2.321 21.501 9.254 264 H GLY 52 H GLY 52 -3.574 17.650 7.687 265 HA2 GLY 52 1HA GLY 52 -5.119 17.845 5.907 266 HA3 GLY 52 2HA GLY 52 -4.630 19.511 5.661 267 H GLY 53 H GLY 53 -4.946 18.042 3.447 268 HA2 GLY 53 1HA GLY 53 -3.503 18.012 1.489 269 HA3 GLY 53 2HA GLY 53 -2.148 17.578 2.514 270 H GLY 54 H GLY 54 -1.749 15.821 1.031 271 HA2 GLY 54 1HA GLY 54 -3.735 13.620 0.997 272 HA3 GLY 54 2HA GLY 54 -2.268 13.712 0.040 273 H GLU 55 H GLU 55 -2.004 11.459 0.777 274 HA GLU 55 HA GLU 55 -1.070 11.205 3.583 275 HB2 GLU 55 1HB GLU 55 -1.529 9.106 1.424 276 HB3 GLU 55 2HB GLU 55 -0.987 8.761 3.060 277 HG2 GLU 55 1HG GLU 55 -3.628 10.046 2.330 278 HG3 GLU 55 2HG GLU 55 -3.388 8.345 2.723 279 H ASN 56 H ASN 56 0.295 12.454 1.043 280 HA ASN 56 HA ASN 56 2.635 10.737 0.702 281 HB2 ASN 56 1HB ASN 56 1.718 12.120 -1.147 282 HB3 ASN 56 2HB ASN 56 2.129 13.575 -0.249 283 HD21 ASN 56 1HD2 ASN 56 4.786 12.623 -2.747 284 HD22 ASN 56 2HD2 ASN 56 3.061 12.747 -2.852 285 H HIS 57 H HIS 57 3.156 10.640 3.003 286 HA HIS 57 HA HIS 57 5.421 12.456 3.404 287 HB2 HIS 57 1HB HIS 57 4.784 13.137 5.680 288 HB3 HIS 57 2HB HIS 57 3.668 13.777 4.482 289 HD2 HIS 57 HD2 HIS 57 3.584 11.727 7.702 290 HE1 HIS 57 HE1 HIS 57 -0.253 11.331 5.889 291 HE2 HIS 57 HE2 HIS 57 1.123 10.933 7.999 292 H PHE 58 H PHE 58 6.908 11.729 4.979 293 HA PHE 58 HA PHE 58 6.504 8.898 5.797 294 HB2 PHE 58 1HB PHE 58 8.876 9.904 4.174 295 HB3 PHE 58 2HB PHE 58 8.716 8.292 4.853 296 HD1 PHE 58 HD1 PHE 58 7.572 10.591 2.243 297 HD2 PHE 58 HD2 PHE 58 7.186 6.669 3.892 298 HE1 PHE 58 HE1 PHE 58 6.418 9.843 0.189 299 HE2 PHE 58 HE2 PHE 58 6.034 5.916 1.839 300 HZ PHE 58 HZ PHE 58 5.648 7.505 -0.013 301 H GLU 59 H GLU 59 8.168 8.107 7.272 302 HA GLU 59 HA GLU 59 8.577 9.949 9.407 303 HB2 GLU 59 1HB GLU 59 9.802 7.225 8.831 304 HB3 GLU 59 2HB GLU 59 10.080 8.111 10.323 305 HG2 GLU 59 1HG GLU 59 7.746 8.005 10.905 306 HG3 GLU 59 2HG GLU 59 7.336 7.319 9.334 307 H THR 60 H THR 60 10.714 8.790 6.825 308 HA THR 60 HA THR 60 12.408 11.150 7.223 309 HB THR 60 HB THR 60 13.375 9.432 8.801 310 HG1 THR 60 HG1 THR 60 15.134 10.481 8.309 311 HG21 THR 60 1HG2 THR 60 14.578 7.522 7.813 312 HG22 THR 60 2HG2 THR 60 12.834 7.421 7.471 313 HG23 THR 60 3HG2 THR 60 13.959 7.959 6.204 314 H LEU 61 H LEU 61 14.396 10.906 5.621 315 HA LEU 61 HA LEU 61 13.075 10.993 3.066 316 HB2 LEU 61 1HB LEU 61 15.991 11.201 3.879 317 HB3 LEU 61 2HB LEU 61 15.434 11.399 2.215 318 HG LEU 61 HG LEU 61 14.529 13.142 4.533 319 HD11 LEU 61 1HD1 LEU 61 16.055 14.821 3.595 320 HD12 LEU 61 2HD1 LEU 61 16.929 13.374 4.149 321 HD13 LEU 61 3HD1 LEU 61 16.640 13.628 2.411 322 HD21 LEU 61 1HD2 LEU 61 13.718 14.596 2.706 323 HD22 LEU 61 2HD2 LEU 61 14.270 13.400 1.508 324 HD23 LEU 61 3HD2 LEU 61 12.953 12.990 2.633 325 H LEU 62 H LEU 62 15.189 8.664 4.668 326 HA LEU 62 HA LEU 62 15.750 7.062 2.367 327 HB2 LEU 62 1HB LEU 62 15.650 6.393 5.327 328 HB3 LEU 62 2HB LEU 62 16.204 5.262 4.089 329 HG LEU 62 HG LEU 62 17.493 7.951 4.672 330 HD11 LEU 62 1HD1 LEU 62 19.265 6.618 5.724 331 HD12 LEU 62 2HD1 LEU 62 17.707 6.416 6.559 332 HD13 LEU 62 3HD1 LEU 62 18.305 5.142 5.470 333 HD21 LEU 62 1HD2 LEU 62 19.304 7.050 3.252 334 HD22 LEU 62 2HD2 LEU 62 18.344 5.578 2.962 335 HD23 LEU 62 3HD2 LEU 62 17.772 7.149 2.350 336 H LYS 63 H LYS 63 13.154 6.959 4.797 337 HA LYS 63 HA LYS 63 11.889 4.598 3.782 338 HB2 LYS 63 1HB LYS 63 11.439 5.593 6.030 339 HB3 LYS 63 2HB LYS 63 10.637 6.952 5.253 340 HG2 LYS 63 1HG LYS 63 8.893 5.508 4.388 341 HG3 LYS 63 2HG LYS 63 9.738 4.070 4.979 342 HD2 LYS 63 1HD LYS 63 9.510 4.914 7.308 343 HD3 LYS 63 2HD LYS 63 8.618 6.315 6.697 344 HE2 LYS 63 1HE LYS 63 6.862 4.856 5.814 345 HE3 LYS 63 2HE LYS 63 7.768 3.422 6.305 346 HZ1 LYS 63 1HZ LYS 63 6.060 3.968 7.878 347 HZ2 LYS 63 2HZ LYS 63 7.541 4.131 8.586 348 HZ3 LYS 63 3HZ LYS 63 6.693 5.470 8.127 349 H CYS 64 H CYS 64 11.460 8.055 3.060 350 HA CYS 64 HA CYS 64 9.327 7.749 1.199 351 HB2 CYS 64 1HB CYS 64 10.057 9.934 2.125 352 HB3 CYS 64 2HB CYS 64 11.562 9.815 1.225 353 H ASN 65 H ASN 65 12.871 7.822 0.719 354 HA ASN 65 HA ASN 65 12.785 7.638 -2.119 355 HB2 ASN 65 1HB ASN 65 14.892 6.870 -0.085 356 HB3 ASN 65 2HB ASN 65 15.150 6.702 -1.816 357 HD21 ASN 65 1HD2 ASN 65 16.374 10.012 -0.505 358 HD22 ASN 65 2HD2 ASN 65 16.579 8.379 0.035 359 H GLU 66 H GLU 66 13.029 5.100 0.368 360 HA GLU 66 HA GLU 66 13.234 2.927 -1.478 361 HB2 GLU 66 1HB GLU 66 12.251 3.084 1.395 362 HB3 GLU 66 2HB GLU 66 12.368 1.568 0.511 363 HG2 GLU 66 1HG GLU 66 14.770 1.871 0.239 364 HG3 GLU 66 2HG GLU 66 14.685 3.445 1.026 365 H SER 67 H SER 67 10.448 4.515 0.058 366 HA SER 67 HA SER 67 8.459 2.728 -0.930 367 HB2 SER 67 1HB SER 67 8.305 5.684 -0.254 368 HB3 SER 67 2HB SER 67 6.910 4.662 -0.568 369 HG SER 67 HG SER 67 8.754 4.584 1.523 370 H CYS 68 H CYS 68 9.967 5.623 -2.324 371 HA CYS 68 HA CYS 68 8.187 5.618 -4.636 372 HB2 CYS 68 1HB CYS 68 10.757 7.140 -4.057 373 HB3 CYS 68 2HB CYS 68 9.764 7.384 -5.486 374 H ASN 69 H ASN 69 11.208 4.142 -3.760 375 HA ASN 69 HA ASN 69 11.933 3.392 -6.475 376 HB2 ASN 69 1HB ASN 69 12.771 2.417 -3.735 377 HB3 ASN 69 2HB ASN 69 13.343 1.655 -5.213 378 HD21 ASN 69 1HD2 ASN 69 15.728 4.290 -4.053 379 HD22 ASN 69 2HD2 ASN 69 14.976 2.927 -3.295 380 H ASP 70 H ASP 70 9.876 2.077 -3.957 381 HA ASP 70 HA ASP 70 9.463 -0.429 -5.429 382 HB2 ASP 70 1HB ASP 70 8.166 0.744 -2.940 383 HB3 ASP 70 2HB ASP 70 7.695 -0.799 -3.638 384 H ALA 71 H ALA 71 8.337 2.731 -5.671 385 HA ALA 71 HA ALA 71 5.604 2.210 -6.410 386 HB1 ALA 71 1HB ALA 71 5.667 4.495 -7.354 387 HB2 ALA 71 2HB ALA 71 6.358 4.440 -5.715 388 HB3 ALA 71 3HB ALA 71 7.431 4.530 -7.131 389 HA PRO 72 HA PRO 72 6.138 0.595 -10.377 390 HB2 PRO 72 1HB PRO 72 3.694 1.155 -11.503 391 HB3 PRO 72 2HB PRO 72 3.891 -0.044 -10.218 392 HG2 PRO 72 1HG PRO 72 3.029 2.871 -9.995 393 HG3 PRO 72 2HG PRO 72 2.274 1.449 -9.269 394 HD2 PRO 72 1HD PRO 72 3.983 3.016 -7.844 395 HD3 PRO 72 2HD PRO 72 3.938 1.222 -7.611 396 H LYS 73 H LYS 73 5.644 3.942 -9.799 397 HA LYS 73 HA LYS 73 5.476 5.049 -12.378 398 HB2 LYS 73 1HB LYS 73 5.321 6.340 -10.248 399 HB3 LYS 73 2HB LYS 73 7.049 6.127 -10.005 400 HG2 LYS 73 1HG LYS 73 7.542 7.433 -11.998 401 HG3 LYS 73 2HG LYS 73 5.818 7.560 -12.376 402 HD2 LYS 73 1HD LYS 73 5.455 8.757 -10.223 403 HD3 LYS 73 2HD LYS 73 7.193 8.672 -9.902 404 HE2 LYS 73 1HE LYS 73 7.664 9.996 -11.907 405 HE3 LYS 73 2HE LYS 73 5.950 10.016 -12.329 406 HZ1 LYS 73 1HZ LYS 73 6.614 12.034 -11.245 407 HZ2 LYS 73 2HZ LYS 73 5.524 11.230 -10.304 408 HZ3 LYS 73 3HZ LYS 73 7.125 11.213 -9.910 409 HA PRO 74 HA PRO 74 9.123 3.577 -14.306 410 HB2 PRO 74 1HB PRO 74 8.532 5.996 -16.054 411 HB3 PRO 74 2HB PRO 74 8.924 4.342 -16.542 412 HG2 PRO 74 1HG PRO 74 6.382 5.118 -16.653 413 HG3 PRO 74 2HG PRO 74 6.755 3.519 -16.004 414 HD2 PRO 74 1HD PRO 74 6.111 6.092 -14.512 415 HD3 PRO 74 2HD PRO 74 5.541 4.408 -14.179 416 HA PRO 75 HA PRO 75 12.124 6.254 -12.533 417 HB2 PRO 75 1HB PRO 75 14.361 5.416 -13.947 418 HB3 PRO 75 2HB PRO 75 13.639 4.486 -12.628 419 HG2 PRO 75 1HG PRO 75 13.208 4.197 -15.630 420 HG3 PRO 75 2HG PRO 75 13.533 2.929 -14.444 421 HD2 PRO 75 1HD PRO 75 11.004 3.410 -15.263 422 HD3 PRO 75 2HD PRO 75 11.345 3.012 -13.532 423 H CYS 76 H CYS 76 11.522 6.076 -15.979 424 HA CYS 76 HA CYS 76 13.169 8.373 -16.679 425 HB2 CYS 76 1HB CYS 76 10.983 6.907 -18.206 426 HB3 CYS 76 2HB CYS 76 11.963 8.203 -18.879 427 H SER 77 H SER 77 10.237 8.022 -15.086 428 HA SER 77 HA SER 77 9.134 10.583 -16.074 429 HB2 SER 77 1HB SER 77 8.135 8.614 -13.990 430 HB3 SER 77 2HB SER 77 7.292 10.080 -14.465 431 HG SER 77 HG SER 77 7.280 9.284 -16.588 432 H LEU 78 H LEU 78 11.532 9.732 -14.022 433 HA LEU 78 HA LEU 78 10.947 12.019 -12.189 434 HB2 LEU 78 1HB LEU 78 12.574 9.494 -11.791 435 HB3 LEU 78 2HB LEU 78 12.735 10.898 -10.732 436 HG LEU 78 HG LEU 78 10.107 10.602 -10.484 437 HD11 LEU 78 1HD1 LEU 78 9.470 8.233 -10.561 438 HD12 LEU 78 2HD1 LEU 78 9.928 8.843 -12.168 439 HD13 LEU 78 3HD1 LEU 78 11.061 7.827 -11.245 440 HD21 LEU 78 1HD2 LEU 78 10.563 9.184 -8.511 441 HD22 LEU 78 2HD2 LEU 78 12.172 8.791 -9.166 442 HD23 LEU 78 3HD2 LEU 78 11.792 10.461 -8.680 443 H GLU 79 H GLU 79 12.749 13.342 -11.538 444 HA GLU 79 HA GLU 79 14.369 13.971 -13.901 445 HB2 GLU 79 1HB GLU 79 14.087 15.351 -11.201 446 HB3 GLU 79 2HB GLU 79 15.061 15.963 -12.530 447 HG2 GLU 79 1HG GLU 79 12.997 16.057 -13.934 448 HG3 GLU 79 2HG GLU 79 12.062 15.575 -12.521 449 H VAL 80 H VAL 80 16.670 14.567 -13.664 450 HA VAL 80 HA VAL 80 18.158 12.326 -12.721 451 HB VAL 80 HB VAL 80 19.068 15.137 -13.470 452 HG11 VAL 80 1HG1 VAL 80 21.297 14.165 -13.741 453 HG12 VAL 80 2HG1 VAL 80 20.728 14.069 -12.058 454 HG13 VAL 80 3HG1 VAL 80 20.701 12.620 -13.091 455 HG21 VAL 80 1HG2 VAL 80 19.671 14.057 -15.613 456 HG22 VAL 80 2HG2 VAL 80 19.020 12.512 -15.015 457 HG23 VAL 80 3HG2 VAL 80 17.931 13.896 -15.279 458 H ASP 81 H ASP 81 19.003 11.826 -10.816 459 HA ASP 81 HA ASP 81 19.688 13.981 -8.916 460 HB2 ASP 81 1HB ASP 81 17.343 13.359 -8.353 461 HB3 ASP 81 2HB ASP 81 17.837 11.682 -8.162 462 H TYR 82 H TYR 82 21.821 13.532 -8.972 463 HA TYR 82 HA TYR 82 22.634 10.722 -8.380 464 HB2 TYR 82 1HB TYR 82 24.888 11.464 -9.233 465 HB3 TYR 82 2HB TYR 82 23.611 11.482 -10.442 466 HD1 TYR 82 HD1 TYR 82 25.731 13.581 -8.265 467 HD2 TYR 82 HD2 TYR 82 22.877 13.513 -11.468 468 HE1 TYR 82 HE1 TYR 82 26.243 15.945 -8.772 469 HE2 TYR 82 HE2 TYR 82 23.389 15.877 -11.975 470 HH TYR 82 HH TYR 82 25.770 17.695 -10.058 471 H GLY 83 H GLY 83 21.741 12.986 -6.523 472 HA2 GLY 83 1HA GLY 83 22.208 13.224 -4.237 473 HA3 GLY 83 2HA GLY 83 23.673 12.282 -4.445 474 H VAL 84 H VAL 84 24.020 14.301 -2.830 475 HA VAL 84 HA VAL 84 25.438 16.340 -4.492 476 HB VAL 84 HB VAL 84 24.997 17.977 -2.652 477 HG11 VAL 84 1HG1 VAL 84 22.649 18.388 -3.204 478 HG12 VAL 84 2HG1 VAL 84 23.609 17.972 -4.644 479 HG13 VAL 84 3HG1 VAL 84 22.531 16.760 -3.911 480 HG21 VAL 84 1HG2 VAL 84 23.245 17.434 -0.992 481 HG22 VAL 84 2HG2 VAL 84 23.153 15.776 -1.633 482 HG23 VAL 84 3HG2 VAL 84 24.640 16.342 -0.835 483 H GLY 85 H GLY 85 26.529 13.875 -3.556 484 HA2 GLY 85 1HA GLY 85 28.083 14.545 -1.123 485 HA3 GLY 85 2HA GLY 85 28.010 12.981 -1.914 486 H ARG 86 H ARG 86 30.335 12.921 -1.769 487 HA ARG 86 HA ARG 86 31.645 14.521 -3.918 488 HB2 ARG 86 1HB ARG 86 32.719 14.000 -1.126 489 HB3 ARG 86 2HB ARG 86 33.679 14.643 -2.450 490 HG2 ARG 86 1HG ARG 86 31.201 15.980 -1.336 491 HG3 ARG 86 2HG ARG 86 32.875 16.367 -0.869 492 HD2 ARG 86 1HD ARG 86 33.371 16.932 -3.191 493 HD3 ARG 86 2HD ARG 86 31.679 16.592 -3.622 494 HE ARG 86 HE ARG 86 32.716 18.900 -2.149 495 HH11 ARG 86 1HH1 ARG 86 29.910 17.055 -3.181 496 HH12 ARG 86 2HH1 ARG 86 28.795 18.383 -2.949 497 HH21 ARG 86 1HH2 ARG 86 31.260 20.617 -1.852 498 HH22 ARG 86 2HH2 ARG 86 29.558 20.400 -2.197 499 H ALA 87 H ALA 87 30.600 11.673 -3.548 500 HA ALA 87 HA ALA 87 33.042 10.107 -3.936 501 HB1 ALA 87 1HB ALA 87 31.481 8.261 -4.461 502 HB2 ALA 87 2HB ALA 87 31.062 9.063 -2.928 503 HB3 ALA 87 3HB ALA 87 30.120 9.405 -4.398 504 H ASN 88 H ASN 88 33.218 8.708 -5.926 505 HA ASN 88 HA ASN 88 32.437 10.252 -8.357 506 HB2 ASN 88 1HB ASN 88 35.172 9.070 -7.769 507 HB3 ASN 88 2HB ASN 88 34.674 9.737 -9.318 508 HD21 ASN 88 1HD2 ASN 88 36.003 12.125 -6.381 509 HD22 ASN 88 2HD2 ASN 88 36.000 10.395 -6.283 510 H ILE 89 H ILE 89 30.717 8.578 -8.211 511 HA ILE 89 HA ILE 89 31.682 6.063 -9.505 512 HB ILE 89 HB ILE 89 29.170 6.512 -7.838 513 HG12 ILE 89 1HG1 ILE 89 31.597 4.809 -7.238 514 HG13 ILE 89 2HG1 ILE 89 31.337 6.420 -6.588 515 HG21 ILE 89 1HG2 ILE 89 28.830 4.088 -8.109 516 HG22 ILE 89 2HG2 ILE 89 28.798 4.918 -9.682 517 HG23 ILE 89 3HG2 ILE 89 30.243 4.007 -9.187 518 HD11 ILE 89 1HD1 ILE 89 30.683 4.711 -4.986 519 HD12 ILE 89 2HD1 ILE 89 29.268 5.661 -5.501 520 HD13 ILE 89 3HD1 ILE 89 29.532 4.029 -6.158 521 HA PRO 90 HA PRO 90 29.662 8.013 -12.986 522 HB2 PRO 90 1HB PRO 90 30.629 5.392 -14.176 523 HB3 PRO 90 2HB PRO 90 30.761 7.029 -14.833 524 HG2 PRO 90 1HG PRO 90 32.923 5.933 -13.734 525 HG3 PRO 90 2HG PRO 90 32.549 7.622 -13.377 526 HD2 PRO 90 1HD PRO 90 32.010 5.143 -11.689 527 HD3 PRO 90 2HD PRO 90 32.667 6.749 -11.175 528 H ARG 91 H ARG 91 27.504 7.867 -13.099 529 HA ARG 91 HA ARG 91 26.293 5.200 -13.570 530 HB2 ARG 91 1HB ARG 91 25.306 7.181 -11.490 531 HB3 ARG 91 2HB ARG 91 24.414 5.766 -12.026 532 HG2 ARG 91 1HG ARG 91 26.320 4.343 -11.212 533 HG3 ARG 91 2HG ARG 91 27.031 5.818 -10.513 534 HD2 ARG 91 1HD ARG 91 25.801 4.639 -8.839 535 HD3 ARG 91 2HD ARG 91 24.960 6.156 -9.234 536 HE ARG 91 HE ARG 91 23.196 4.952 -10.108 537 HH11 ARG 91 1HH1 ARG 91 25.891 2.802 -9.436 538 HH12 ARG 91 2HH1 ARG 91 24.947 1.346 -9.656 539 HH21 ARG 91 1HH2 ARG 91 21.981 3.055 -10.391 540 HH22 ARG 91 2HH2 ARG 91 22.734 1.488 -10.197 541 H TRP 92 H TRP 92 24.049 5.358 -14.380 542 HA TRP 92 HA TRP 92 24.004 7.626 -16.309 543 HB2 TRP 92 1HB TRP 92 22.901 4.800 -16.417 544 HB3 TRP 92 2HB TRP 92 22.417 6.035 -17.570 545 HD1 TRP 92 HD1 TRP 92 25.393 3.825 -16.608 546 HE1 TRP 92 HE1 TRP 92 27.156 3.898 -18.497 547 HE3 TRP 92 HE3 TRP 92 23.334 7.557 -19.460 548 HZ2 TRP 92 HZ2 TRP 92 27.589 5.355 -20.877 549 HZ3 TRP 92 HZ3 TRP 92 24.474 8.245 -21.531 550 HH2 TRP 92 HH2 TRP 92 26.568 7.163 -22.236 551 H TYR 93 H TYR 93 22.358 9.010 -16.445 552 HA TYR 93 HA TYR 93 19.848 8.349 -14.982 553 HB2 TYR 93 1HB TYR 93 21.335 11.004 -14.841 554 HB3 TYR 93 2HB TYR 93 19.740 10.698 -14.167 555 HD1 TYR 93 HD1 TYR 93 23.324 9.770 -13.924 556 HD2 TYR 93 HD2 TYR 93 19.461 9.658 -12.062 557 HE1 TYR 93 HE1 TYR 93 24.362 8.999 -11.817 558 HE2 TYR 93 HE2 TYR 93 20.498 8.887 -9.955 559 HH TYR 93 HH TYR 93 22.381 8.342 -8.924 560 H TYR 94 H TYR 94 17.963 9.186 -15.804 561 HA TYR 94 HA TYR 94 18.147 9.975 -18.640 562 HB2 TYR 94 1HB TYR 94 16.542 8.219 -17.986 563 HB3 TYR 94 2HB TYR 94 15.748 9.330 -16.878 564 HD1 TYR 94 HD1 TYR 94 16.698 9.057 -20.493 565 HD2 TYR 94 HD2 TYR 94 13.880 10.480 -17.587 566 HE1 TYR 94 HE1 TYR 94 15.198 9.800 -22.311 567 HE2 TYR 94 HE2 TYR 94 12.380 11.223 -19.406 568 HH TYR 94 HH TYR 94 13.245 10.730 -22.821 569 H ASP 95 H ASP 95 18.163 11.981 -19.299 570 HA ASP 95 HA ASP 95 17.296 14.139 -17.497 571 HB2 ASP 95 1HB ASP 95 19.343 14.395 -18.882 572 HB3 ASP 95 2HB ASP 95 18.377 14.237 -20.343 573 H THR 96 H THR 96 15.227 14.619 -17.325 574 HA THR 96 HA THR 96 13.338 13.694 -19.338 575 HB THR 96 HB THR 96 11.609 14.594 -17.822 576 HG1 THR 96 HG1 THR 96 12.776 16.455 -17.119 577 HG21 THR 96 1HG2 THR 96 12.139 13.237 -15.836 578 HG22 THR 96 2HG2 THR 96 12.588 12.380 -17.329 579 HG23 THR 96 3HG2 THR 96 13.843 13.159 -16.338 580 H ASN 97 H ASN 97 15.078 16.595 -18.750 581 HA ASN 97 HA ASN 97 13.109 18.320 -20.084 582 HB2 ASN 97 1HB ASN 97 15.898 18.798 -18.997 583 HB3 ASN 97 2HB ASN 97 14.982 20.031 -19.853 584 HD21 ASN 97 1HD2 ASN 97 14.500 20.269 -16.138 585 HD22 ASN 97 2HD2 ASN 97 15.898 20.144 -17.153 586 H ASN 98 H ASN 98 16.151 16.706 -20.850 587 HA ASN 98 HA ASN 98 15.917 17.752 -23.635 588 HB2 ASN 98 1HB ASN 98 18.245 16.516 -22.134 589 HB3 ASN 98 2HB ASN 98 18.267 16.840 -23.862 590 HD21 ASN 98 1HD2 ASN 98 19.172 19.723 -21.277 591 HD22 ASN 98 2HD2 ASN 98 19.039 18.043 -20.878 592 H ALA 99 H ALA 99 15.071 15.126 -21.789 593 HA ALA 99 HA ALA 99 14.362 13.009 -22.321 594 HB1 ALA 99 1HB ALA 99 13.407 12.690 -24.581 595 HB2 ALA 99 2HB ALA 99 12.901 14.238 -23.863 596 HB3 ALA 99 3HB ALA 99 14.170 14.207 -25.109 597 H THR 100 H THR 100 16.955 12.955 -21.947 598 HA THR 100 HA THR 100 17.890 10.971 -23.905 599 HB THR 100 HB THR 100 18.667 13.144 -24.869 600 HG1 THR 100 HG1 THR 100 21.014 11.982 -23.908 601 HG21 THR 100 1HG2 THR 100 20.408 14.412 -23.673 602 HG22 THR 100 2HG2 THR 100 18.886 14.396 -22.750 603 HG23 THR 100 3HG2 THR 100 20.231 13.338 -22.266 604 H CYS 101 H CYS 101 19.661 9.721 -23.188 605 HA CYS 101 HA CYS 101 19.859 9.692 -20.229 606 HB2 CYS 101 1HB CYS 101 20.755 7.635 -22.287 607 HB3 CYS 101 2HB CYS 101 20.828 7.434 -20.542 608 H GLU 102 H GLU 102 21.601 10.336 -19.170 609 HA GLU 102 HA GLU 102 24.171 10.546 -20.666 610 HB2 GLU 102 1HB GLU 102 22.900 12.709 -18.940 611 HB3 GLU 102 2HB GLU 102 24.565 12.747 -19.504 612 HG2 GLU 102 1HG GLU 102 23.733 12.706 -21.849 613 HG3 GLU 102 2HG GLU 102 22.083 12.776 -21.233 614 H MET 103 H MET 103 26.064 10.549 -19.377 615 HA MET 103 HA MET 103 25.714 9.054 -16.859 616 HB2 MET 103 1HB MET 103 27.390 8.285 -18.500 617 HB3 MET 103 2HB MET 103 28.214 9.835 -18.412 618 HG2 MET 103 1HG MET 103 28.757 9.422 -16.046 619 HG3 MET 103 2HG MET 103 27.914 7.873 -16.119 620 HE1 MET 103 1HE MET 103 30.165 5.623 -18.245 621 HE2 MET 103 2HE MET 103 28.873 5.709 -17.023 622 HE3 MET 103 3HE MET 103 28.614 6.402 -18.642 623 H PHE 104 H PHE 104 25.934 9.822 -14.882 624 HA PHE 104 HA PHE 104 27.176 12.524 -14.579 625 HB2 PHE 104 1HB PHE 104 24.741 11.405 -13.134 626 HB3 PHE 104 2HB PHE 104 25.567 12.887 -12.678 627 HD1 PHE 104 HD1 PHE 104 23.501 11.266 -15.259 628 HD2 PHE 104 HD2 PHE 104 25.296 14.909 -13.935 629 HE1 PHE 104 HE1 PHE 104 22.110 12.532 -16.863 630 HE2 PHE 104 HE2 PHE 104 23.904 16.179 -15.535 631 HZ PHE 104 HZ PHE 104 22.312 14.989 -17.001 632 H THR 105 H THR 105 28.065 12.966 -12.451 633 HA THR 105 HA THR 105 29.451 10.582 -11.418 634 HB THR 105 HB THR 105 29.743 13.529 -10.687 635 HG1 THR 105 HG1 THR 105 31.826 12.995 -11.876 636 HG21 THR 105 1HG2 THR 105 31.839 12.811 -9.610 637 HG22 THR 105 2HG2 THR 105 30.434 12.018 -8.859 638 HG23 THR 105 3HG2 THR 105 31.463 11.116 -9.996 639 H TYR 106 H TYR 106 28.311 9.361 -10.075 640 HA TYR 106 HA TYR 106 26.247 10.381 -8.357 641 HB2 TYR 106 1HB TYR 106 26.344 8.029 -9.193 642 HB3 TYR 106 2HB TYR 106 27.760 7.744 -8.189 643 HD1 TYR 106 HD1 TYR 106 24.487 9.462 -7.538 644 HD2 TYR 106 HD2 TYR 106 27.223 6.340 -6.453 645 HE1 TYR 106 HE1 TYR 106 23.023 8.835 -5.649 646 HE2 TYR 106 HE2 TYR 106 25.758 5.713 -4.564 647 HH TYR 106 HH TYR 106 22.715 7.448 -3.941 648 H GLY 107 H GLY 107 26.310 11.294 -6.439 649 HA2 GLY 107 1HA GLY 107 28.962 11.893 -5.326 650 HA3 GLY 107 2HA GLY 107 27.435 12.602 -4.835 651 H GLY 108 H GLY 108 26.298 9.749 -4.692 652 HA2 GLY 108 1HA GLY 108 26.676 7.787 -3.325 653 HA3 GLY 108 2HA GLY 108 27.786 8.708 -2.327 654 H ILE 109 H ILE 109 25.120 10.618 -3.090 655 HA ILE 109 HA ILE 109 24.019 10.137 -0.364 656 HB ILE 109 HB ILE 109 23.763 12.596 -2.148 657 HG12 ILE 109 1HG1 ILE 109 26.060 12.292 -1.443 658 HG13 ILE 109 2HG1 ILE 109 25.332 13.653 -0.604 659 HG21 ILE 109 1HG2 ILE 109 22.897 13.670 -0.109 660 HG22 ILE 109 2HG2 ILE 109 21.871 12.301 -0.595 661 HG23 ILE 109 3HG2 ILE 109 23.010 12.121 0.760 662 HD11 ILE 109 1HD1 ILE 109 26.710 12.331 0.901 663 HD12 ILE 109 2HD1 ILE 109 25.001 12.262 1.394 664 HD13 ILE 109 3HD1 ILE 109 25.741 10.883 0.545 665 H THR 110 H THR 110 22.567 8.502 -0.743 666 HA THR 110 HA THR 110 20.562 7.563 -1.424 667 HB THR 110 HB THR 110 18.614 8.996 -1.125 668 HG1 THR 110 HG1 THR 110 20.238 10.869 -2.126 669 HG21 THR 110 1HG2 THR 110 19.127 9.982 1.074 670 HG22 THR 110 2HG2 THR 110 19.872 8.374 0.908 671 HG23 THR 110 3HG2 THR 110 20.868 9.838 0.737 672 H GLY 111 H GLY 111 18.626 9.614 -2.852 673 HA2 GLY 111 1HA GLY 111 19.129 10.349 -5.350 674 HA3 GLY 111 2HA GLY 111 19.393 8.628 -5.554 675 H ASN 112 H ASN 112 17.616 8.726 -7.091 676 HA ASN 112 HA ASN 112 15.052 8.220 -5.692 677 HB2 ASN 112 1HB ASN 112 13.780 9.533 -7.310 678 HB3 ASN 112 2HB ASN 112 14.910 10.556 -6.434 679 HD21 ASN 112 1HD2 ASN 112 15.251 11.666 -9.847 680 HD22 ASN 112 2HD2 ASN 112 14.156 11.774 -8.509 681 H LYS 113 H LYS 113 13.419 7.734 -7.786 682 HA LYS 113 HA LYS 113 14.191 5.086 -8.483 683 HB2 LYS 113 1HB LYS 113 11.832 5.924 -8.357 684 HB3 LYS 113 2HB LYS 113 12.101 6.842 -9.832 685 HG2 LYS 113 1HG LYS 113 10.938 4.828 -10.396 686 HG3 LYS 113 2HG LYS 113 12.587 4.697 -11.024 687 HD2 LYS 113 1HD LYS 113 13.243 3.295 -9.135 688 HD3 LYS 113 2HD LYS 113 11.654 3.508 -8.386 689 HE2 LYS 113 1HE LYS 113 10.576 2.341 -10.242 690 HE3 LYS 113 2HE LYS 113 12.114 2.220 -11.101 691 HZ1 LYS 113 1HZ LYS 113 11.577 0.193 -9.965 692 HZ2 LYS 113 2HZ LYS 113 12.940 0.852 -9.311 693 HZ3 LYS 113 3HZ LYS 113 11.504 0.964 -8.509 694 H ASN 114 H ASN 114 14.478 8.153 -10.216 695 HA ASN 114 HA ASN 114 15.426 6.970 -12.674 696 HB2 ASN 114 1HB ASN 114 14.487 9.269 -12.506 697 HB3 ASN 114 2HB ASN 114 15.893 9.760 -11.570 698 HD21 ASN 114 1HD2 ASN 114 16.367 10.655 -15.150 699 HD22 ASN 114 2HD2 ASN 114 15.151 10.974 -13.959 700 H ASN 115 H ASN 115 16.932 5.411 -12.055 701 HA ASN 115 HA ASN 115 19.645 6.453 -11.857 702 HB2 ASN 115 1HB ASN 115 18.885 6.482 -9.473 703 HB3 ASN 115 2HB ASN 115 18.591 4.751 -9.575 704 HD21 ASN 115 1HD2 ASN 115 21.933 5.317 -8.095 705 HD22 ASN 115 2HD2 ASN 115 20.308 5.777 -7.710 706 H PHE 116 H PHE 116 20.698 5.322 -13.301 707 HA PHE 116 HA PHE 116 19.773 2.517 -13.774 708 HB2 PHE 116 1HB PHE 116 20.757 4.501 -15.862 709 HB3 PHE 116 2HB PHE 116 20.165 2.875 -16.163 710 HD1 PHE 116 HD1 PHE 116 19.296 6.314 -15.869 711 HD2 PHE 116 HD2 PHE 116 17.733 2.356 -15.495 712 HE1 PHE 116 HE1 PHE 116 17.002 7.198 -16.123 713 HE2 PHE 116 HE2 PHE 116 15.437 3.236 -15.751 714 HZ PHE 116 HZ PHE 116 15.072 5.659 -16.064 715 H GLU 117 H GLU 117 21.293 1.004 -14.513 716 HA GLU 117 HA GLU 117 24.025 1.545 -13.573 717 HB2 GLU 117 1HB GLU 117 22.685 -0.953 -14.681 718 HB3 GLU 117 2HB GLU 117 24.369 -0.891 -14.181 719 HG2 GLU 117 1HG GLU 117 22.052 -0.245 -12.348 720 HG3 GLU 117 2HG GLU 117 22.768 -1.848 -12.507 721 H SER 118 H SER 118 22.275 1.334 -16.579 722 HA SER 118 HA SER 118 24.780 1.858 -18.067 723 HB2 SER 118 1HB SER 118 24.391 0.083 -19.660 724 HB3 SER 118 2HB SER 118 24.483 -0.610 -18.048 725 HG SER 118 HG SER 118 22.704 -1.468 -18.646 726 H GLU 119 H GLU 119 24.440 2.638 -20.224 727 HA GLU 119 HA GLU 119 22.258 4.431 -20.521 728 HB2 GLU 119 1HB GLU 119 24.411 4.657 -21.732 729 HB3 GLU 119 2HB GLU 119 24.047 3.212 -22.665 730 HG2 GLU 119 1HG GLU 119 22.095 4.333 -23.654 731 HG3 GLU 119 2HG GLU 119 22.445 5.779 -22.710 732 H GLU 120 H GLU 120 22.786 1.157 -21.825 733 HA GLU 120 HA GLU 120 20.474 0.962 -23.417 734 HB2 GLU 120 1HB GLU 120 22.267 -0.745 -23.362 735 HB3 GLU 120 2HB GLU 120 21.798 -1.202 -21.731 736 HG2 GLU 120 1HG GLU 120 19.608 -1.944 -22.554 737 HG3 GLU 120 2HG GLU 120 20.053 -1.460 -24.190 738 H GLU 121 H GLU 121 20.868 0.081 -19.968 739 HA GLU 121 HA GLU 121 18.210 -0.677 -19.460 740 HB2 GLU 121 1HB GLU 121 20.091 -0.943 -17.854 741 HB3 GLU 121 2HB GLU 121 20.118 0.796 -17.597 742 HG2 GLU 121 1HG GLU 121 17.793 0.672 -16.727 743 HG3 GLU 121 2HG GLU 121 17.844 -1.079 -16.915 744 H CYS 122 H CYS 122 19.683 2.569 -19.134 745 HA CYS 122 HA CYS 122 17.449 3.996 -18.282 746 HB2 CYS 122 1HB CYS 122 19.683 5.000 -18.538 747 HB3 CYS 122 2HB CYS 122 19.565 4.870 -20.287 748 H LYS 123 H LYS 123 18.413 3.365 -21.678 749 HA LYS 123 HA LYS 123 16.196 4.827 -22.764 750 HB2 LYS 123 1HB LYS 123 18.076 2.764 -23.969 751 HB3 LYS 123 2HB LYS 123 16.836 3.588 -24.905 752 HG2 LYS 123 1HG LYS 123 17.877 5.757 -24.416 753 HG3 LYS 123 2HG LYS 123 19.104 4.955 -23.427 754 HD2 LYS 123 1HD LYS 123 19.898 3.701 -25.387 755 HD3 LYS 123 2HD LYS 123 18.635 4.434 -26.386 756 HE2 LYS 123 1HE LYS 123 19.598 6.656 -26.039 757 HE3 LYS 123 2HE LYS 123 20.807 5.992 -24.938 758 HZ1 LYS 123 1HZ LYS 123 21.694 6.320 -27.127 759 HZ2 LYS 123 2HZ LYS 123 21.684 4.710 -26.767 760 HZ3 LYS 123 3HZ LYS 123 20.555 5.332 -27.796 761 H GLU 124 H GLU 124 16.697 1.417 -21.970 762 HA GLU 124 HA GLU 124 14.383 0.491 -23.426 763 HB2 GLU 124 1HB GLU 124 16.089 -0.763 -21.245 764 HB3 GLU 124 2HB GLU 124 14.739 -1.600 -21.997 765 HG2 GLU 124 1HG GLU 124 17.210 -0.574 -23.410 766 HG3 GLU 124 2HG GLU 124 16.868 -2.249 -22.984 767 H THR 125 H THR 125 14.985 1.482 -20.082 768 HA THR 125 HA THR 125 12.369 0.706 -19.125 769 HB THR 125 HB THR 125 12.926 2.188 -17.173 770 HG1 THR 125 HG1 THR 125 14.749 3.126 -18.980 771 HG21 THR 125 1HG2 THR 125 14.854 0.863 -16.399 772 HG22 THR 125 2HG2 THR 125 13.664 -0.169 -17.227 773 HG23 THR 125 3HG2 THR 125 15.155 0.319 -18.066 774 H CYS 126 H CYS 126 13.687 3.546 -20.707 775 HA CYS 126 HA CYS 126 11.341 5.189 -20.330 776 HB2 CYS 126 1HB CYS 126 13.559 5.237 -22.408 777 HB3 CYS 126 2HB CYS 126 12.269 6.428 -22.346 778 H LYS 127 H LYS 127 12.376 2.817 -22.760 779 HA LYS 127 HA LYS 127 10.101 3.097 -24.476 780 HB2 LYS 127 1HB LYS 127 11.913 0.726 -23.889 781 HB3 LYS 127 2HB LYS 127 10.659 0.706 -25.122 782 HG2 LYS 127 1HG LYS 127 11.769 2.523 -26.327 783 HG3 LYS 127 2HG LYS 127 13.001 2.631 -25.062 784 HD2 LYS 127 1HD LYS 127 13.610 0.237 -25.528 785 HD3 LYS 127 2HD LYS 127 12.468 0.254 -26.880 786 HE2 LYS 127 1HE LYS 127 13.728 2.060 -27.961 787 HE3 LYS 127 2HE LYS 127 14.837 2.138 -26.589 788 HZ1 LYS 127 1HZ LYS 127 15.749 0.866 -28.388 789 HZ2 LYS 127 2HZ LYS 127 15.513 -0.111 -27.081 790 HZ3 LYS 127 3HZ LYS 127 14.478 -0.184 -28.363 791 H GLY 128 H GLY 128 10.630 1.377 -21.448 792 HA2 GLY 128 1HA GLY 128 8.515 1.253 -20.074 793 HA3 GLY 128 2HA GLY 128 7.735 0.594 -21.499 794 H PHE 129 H PHE 129 11.046 -0.197 -20.563 795 HA PHE 129 HA PHE 129 10.504 -3.026 -20.469 796 HB2 PHE 129 1HB PHE 129 12.722 -2.110 -21.071 797 HB3 PHE 129 2HB PHE 129 12.899 -1.441 -19.456 798 HD1 PHE 129 HD1 PHE 129 12.490 -4.646 -21.300 799 HD2 PHE 129 HD2 PHE 129 13.803 -2.718 -17.721 800 HE1 PHE 129 HE1 PHE 129 13.514 -6.763 -20.537 801 HE2 PHE 129 HE2 PHE 129 14.830 -4.833 -16.956 802 HZ PHE 129 HZ PHE 129 14.684 -6.856 -18.364 803 H SER 130 H SER 130 9.819 -4.274 -18.881 804 HA SER 130 HA SER 130 10.367 -3.664 -16.093 805 HB2 SER 130 1HB SER 130 8.487 -2.140 -16.459 806 HB3 SER 130 2HB SER 130 7.522 -3.447 -17.129 807 HG SER 130 HG SER 130 8.416 -3.043 -14.515 Start of MODEL 2 1 H GLU 13 1H GLU 13 -0.489 -0.252 0.723 2 HA GLU 13 HA GLU 13 1.783 0.113 1.265 3 HB2 GLU 13 1HB GLU 13 1.110 0.172 -1.705 4 HB3 GLU 13 2HB GLU 13 2.693 -0.226 -1.052 5 HG2 GLU 13 1HG GLU 13 1.759 -2.172 0.095 6 HG3 GLU 13 2HG GLU 13 0.147 -1.760 -0.485 7 H SER 14 H SER 14 3.709 1.329 0.963 8 HA SER 14 HA SER 14 2.948 4.070 1.499 9 HB2 SER 14 1HB SER 14 5.229 4.365 2.203 10 HB3 SER 14 2HB SER 14 4.674 2.802 2.783 11 HG SER 14 HG SER 14 6.653 3.420 1.088 12 H TRP 15 H TRP 15 4.114 2.382 -1.269 13 HA TRP 15 HA TRP 15 5.733 4.415 -2.436 14 HB2 TRP 15 1HB TRP 15 5.521 3.149 -4.507 15 HB3 TRP 15 2HB TRP 15 5.744 2.039 -3.162 16 HD1 TRP 15 HD1 TRP 15 3.850 0.275 -2.703 17 HE1 TRP 15 HE1 TRP 15 1.651 -0.361 -3.906 18 HE3 TRP 15 HE3 TRP 15 3.506 4.283 -5.885 19 HZ2 TRP 15 HZ2 TRP 15 0.006 0.718 -5.931 20 HZ3 TRP 15 HZ3 TRP 15 1.595 4.420 -7.432 21 HH2 TRP 15 HH2 TRP 15 -0.133 2.670 -7.458 22 H VAL 16 H VAL 16 2.300 4.064 -2.165 23 HA VAL 16 HA VAL 16 1.520 5.590 -4.458 24 HB VAL 16 HB VAL 16 0.072 4.088 -2.927 25 HG11 VAL 16 1HG1 VAL 16 -1.072 5.228 -1.089 26 HG12 VAL 16 2HG1 VAL 16 0.680 5.100 -0.806 27 HG13 VAL 16 3HG1 VAL 16 -0.027 6.650 -1.322 28 HG21 VAL 16 1HG2 VAL 16 -1.948 5.437 -3.401 29 HG22 VAL 16 2HG2 VAL 16 -0.924 6.860 -3.708 30 HG23 VAL 16 3HG2 VAL 16 -0.829 5.446 -4.785 31 H SER 17 H SER 17 2.870 6.474 -1.396 32 HA SER 17 HA SER 17 1.697 9.088 -1.171 33 HB2 SER 17 1HB SER 17 4.229 7.892 -0.005 34 HB3 SER 17 2HB SER 17 3.616 9.482 0.419 35 HG SER 17 HG SER 17 2.136 8.626 1.559 36 H CYS 18 H CYS 18 4.198 7.799 -3.147 37 HA CYS 18 HA CYS 18 5.604 10.316 -3.551 38 HB2 CYS 18 1HB CYS 18 5.636 7.685 -5.076 39 HB3 CYS 18 2HB CYS 18 6.651 9.061 -5.485 40 H LEU 19 H LEU 19 2.677 8.973 -4.669 41 HA LEU 19 HA LEU 19 2.664 10.835 -7.001 42 HB2 LEU 19 1HB LEU 19 0.845 8.482 -6.371 43 HB3 LEU 19 2HB LEU 19 0.727 9.517 -7.797 44 HG LEU 19 HG LEU 19 3.057 7.683 -7.130 45 HD11 LEU 19 1HD1 LEU 19 2.230 6.370 -9.032 46 HD12 LEU 19 2HD1 LEU 19 1.023 6.472 -7.728 47 HD13 LEU 19 3HD1 LEU 19 0.842 7.472 -9.189 48 HD21 LEU 19 1HD2 LEU 19 3.820 8.275 -9.405 49 HD22 LEU 19 2HD2 LEU 19 2.455 9.406 -9.570 50 HD23 LEU 19 3HD2 LEU 19 3.728 9.717 -8.365 51 H ASP 20 H ASP 20 1.281 10.148 -3.895 52 HA ASP 20 HA ASP 20 -1.170 11.613 -4.223 53 HB2 ASP 20 1HB ASP 20 0.443 10.797 -1.782 54 HB3 ASP 20 2HB ASP 20 -1.063 11.695 -1.655 55 HA PRO 21 HA PRO 21 -0.113 15.801 -4.016 56 HB2 PRO 21 1HB PRO 21 -2.096 15.990 -1.717 57 HB3 PRO 21 2HB PRO 21 -1.980 16.992 -3.170 58 HG2 PRO 21 1HG PRO 21 -3.864 15.116 -3.084 59 HG3 PRO 21 2HG PRO 21 -2.934 15.320 -4.572 60 HD2 PRO 21 1HD PRO 21 -2.602 13.242 -2.373 61 HD3 PRO 21 2HD PRO 21 -2.528 13.025 -4.168 62 H GLU 22 H GLU 22 1.361 17.068 -2.952 63 HA GLU 22 HA GLU 22 2.947 15.936 -0.908 64 HB2 GLU 22 1HB GLU 22 2.649 18.811 -1.853 65 HB3 GLU 22 2HB GLU 22 3.849 18.317 -0.666 66 HG2 GLU 22 1HG GLU 22 5.079 18.266 -2.594 67 HG3 GLU 22 2HG GLU 22 4.566 16.584 -2.480 68 H GLN 23 H GLN 23 2.962 15.976 1.247 69 HA GLN 23 HA GLN 23 0.629 16.639 2.715 70 HB2 GLN 23 1HB GLN 23 2.210 15.052 3.617 71 HB3 GLN 23 2HB GLN 23 3.512 16.232 3.586 72 HG2 GLN 23 1HG GLN 23 2.759 15.933 5.842 73 HG3 GLN 23 2HG GLN 23 2.302 17.570 5.292 74 HE21 GLN 23 1HE2 GLN 23 -0.981 17.119 6.279 75 HE22 GLN 23 2HE2 GLN 23 0.411 18.139 6.126 76 H VAL 24 H VAL 24 -0.135 18.415 3.634 77 HA VAL 24 HA VAL 24 1.005 20.961 2.931 78 HB VAL 24 HB VAL 24 -1.198 20.225 4.904 79 HG11 VAL 24 1HG1 VAL 24 -1.867 22.575 4.776 80 HG12 VAL 24 2HG1 VAL 24 -0.243 22.382 5.478 81 HG13 VAL 24 3HG1 VAL 24 -0.427 22.931 3.794 82 HG21 VAL 24 1HG2 VAL 24 -2.687 20.967 3.073 83 HG22 VAL 24 2HG2 VAL 24 -1.268 21.267 2.043 84 HG23 VAL 24 3HG2 VAL 24 -1.660 19.609 2.557 85 H THR 25 H THR 25 2.374 22.254 3.969 86 HA THR 25 HA THR 25 3.843 21.388 6.244 87 HB THR 25 HB THR 25 3.481 24.223 5.182 88 HG1 THR 25 HG1 THR 25 5.199 22.066 4.515 89 HG21 THR 25 1HG2 THR 25 5.637 24.652 6.293 90 HG22 THR 25 2HG2 THR 25 4.402 24.153 7.473 91 HG23 THR 25 3HG2 THR 25 5.640 22.994 6.937 92 H CYS 26 H CYS 26 3.673 21.697 8.387 93 HA CYS 26 HA CYS 26 1.290 23.182 9.366 94 HB2 CYS 26 1HB CYS 26 0.644 20.791 9.028 95 HB3 CYS 26 2HB CYS 26 1.938 20.304 10.114 96 H GLU 27 H GLU 27 1.579 24.211 11.249 97 HA GLU 27 HA GLU 27 4.242 24.216 12.431 98 HB2 GLU 27 1HB GLU 27 1.651 25.625 13.181 99 HB3 GLU 27 2HB GLU 27 3.162 25.846 14.052 100 HG2 GLU 27 1HG GLU 27 2.784 26.427 11.107 101 HG3 GLU 27 2HG GLU 27 2.655 27.624 12.394 102 H SER 28 H SER 28 4.028 21.806 12.853 103 HA SER 28 HA SER 28 2.455 21.180 15.274 104 HB2 SER 28 1HB SER 28 2.442 19.562 13.447 105 HB3 SER 28 2HB SER 28 4.197 19.468 13.472 106 HG SER 28 HG SER 28 2.743 17.907 14.686 107 H GLN 29 H GLN 29 3.269 20.708 17.249 108 HA GLN 29 HA GLN 29 5.745 21.979 17.930 109 HB2 GLN 29 1HB GLN 29 3.813 21.792 19.485 110 HB3 GLN 29 2HB GLN 29 4.045 20.052 19.565 111 HG2 GLN 29 1HG GLN 29 4.990 21.011 21.522 112 HG3 GLN 29 2HG GLN 29 6.339 20.465 20.487 113 HE21 GLN 29 1HE2 GLN 29 7.880 23.546 20.897 114 HE22 GLN 29 2HE2 GLN 29 7.964 21.818 20.988 115 H GLU 30 H GLU 30 7.669 21.253 17.385 116 HA GLU 30 HA GLU 30 9.396 19.806 16.902 117 HB2 GLU 30 1HB GLU 30 8.109 18.181 19.134 118 HB3 GLU 30 2HB GLU 30 9.727 17.923 18.498 119 HG2 GLU 30 1HG GLU 30 10.349 20.214 19.224 120 HG3 GLU 30 2HG GLU 30 8.742 20.402 19.924 121 H GLY 31 H GLY 31 7.070 19.557 15.284 122 HA2 GLY 31 1HA GLY 31 7.053 16.618 14.705 123 HA3 GLY 31 2HA GLY 31 5.759 17.724 14.282 124 H THR 32 H THR 32 7.973 15.918 12.882 125 HA THR 32 HA THR 32 8.259 17.708 10.564 126 HB THR 32 HB THR 32 10.278 18.215 11.947 127 HG1 THR 32 HG1 THR 32 11.747 17.249 10.116 128 HG21 THR 32 1HG2 THR 32 11.998 16.471 12.215 129 HG22 THR 32 2HG2 THR 32 10.495 16.016 13.053 130 HG23 THR 32 3HG2 THR 32 10.901 15.273 11.489 131 H HIS 33 H HIS 33 8.838 16.643 8.631 132 HA HIS 33 HA HIS 33 9.072 13.713 8.639 133 HB2 HIS 33 1HB HIS 33 7.042 13.288 7.373 134 HB3 HIS 33 2HB HIS 33 6.631 14.025 8.915 135 HD1 HIS 33 HD1 HIS 33 5.753 16.496 8.881 136 HD2 HIS 33 HD2 HIS 33 6.368 14.905 5.027 137 HE1 HIS 33 HE1 HIS 33 4.540 17.960 7.346 138 H ALA 34 H ALA 34 9.350 12.820 6.491 139 HA ALA 34 HA ALA 34 10.462 14.808 4.599 140 HB1 ALA 34 1HB ALA 34 11.327 12.832 3.388 141 HB2 ALA 34 2HB ALA 34 11.832 12.833 5.095 142 HB3 ALA 34 3HB ALA 34 10.512 11.768 4.557 143 H SER 35 H SER 35 9.895 14.832 2.379 144 HA SER 35 HA SER 35 7.337 13.544 1.653 145 HB2 SER 35 1HB SER 35 6.639 15.647 2.691 146 HB3 SER 35 2HB SER 35 7.746 16.552 1.671 147 HG SER 35 HG SER 35 5.873 14.837 0.529 148 H TYR 36 H TYR 36 6.977 13.366 -0.545 149 HA TYR 36 HA TYR 36 9.400 13.788 -2.192 150 HB2 TYR 36 1HB TYR 36 8.325 11.563 -2.228 151 HB3 TYR 36 2HB TYR 36 6.817 12.284 -2.774 152 HD1 TYR 36 HD1 TYR 36 10.400 11.858 -3.727 153 HD2 TYR 36 HD2 TYR 36 6.378 12.558 -5.046 154 HE1 TYR 36 HE1 TYR 36 11.124 11.596 -6.076 155 HE2 TYR 36 HE2 TYR 36 7.102 12.295 -7.395 156 HH TYR 36 HH TYR 36 8.800 11.911 -8.764 157 H ASN 37 H ASN 37 9.621 15.675 -3.134 158 HA ASN 37 HA ASN 37 7.259 17.266 -3.854 159 HB2 ASN 37 1HB ASN 37 9.312 18.289 -2.863 160 HB3 ASN 37 2HB ASN 37 10.205 17.840 -4.310 161 HD21 ASN 37 1HD2 ASN 37 8.835 21.374 -4.412 162 HD22 ASN 37 2HD2 ASN 37 9.625 20.476 -3.160 163 H ARG 38 H ARG 38 6.157 16.759 -5.601 164 HA ARG 38 HA ARG 38 7.327 15.032 -7.600 165 HB2 ARG 38 1HB ARG 38 4.650 16.460 -7.495 166 HB3 ARG 38 2HB ARG 38 5.099 15.290 -8.726 167 HG2 ARG 38 1HG ARG 38 5.221 13.518 -7.108 168 HG3 ARG 38 2HG ARG 38 5.009 14.668 -5.765 169 HD2 ARG 38 1HD ARG 38 3.006 14.118 -7.943 170 HD3 ARG 38 2HD ARG 38 2.962 13.463 -6.290 171 HE ARG 38 HE ARG 38 3.125 16.216 -6.001 172 HH11 ARG 38 1HH1 ARG 38 0.923 13.933 -7.512 173 HH12 ARG 38 2HH1 ARG 38 -0.486 14.943 -7.275 174 HH21 ARG 38 1HH2 ARG 38 1.289 17.518 -5.699 175 HH22 ARG 38 2HH2 ARG 38 -0.280 16.972 -6.248 176 H LYS 39 H LYS 39 7.130 18.433 -7.214 177 HA LYS 39 HA LYS 39 7.135 19.092 -10.049 178 HB2 LYS 39 1HB LYS 39 7.739 20.731 -7.559 179 HB3 LYS 39 2HB LYS 39 7.747 21.397 -9.186 180 HG2 LYS 39 1HG LYS 39 5.368 20.809 -9.449 181 HG3 LYS 39 2HG LYS 39 5.357 20.130 -7.815 182 HD2 LYS 39 1HD LYS 39 5.970 22.340 -6.889 183 HD3 LYS 39 2HD LYS 39 5.987 23.020 -8.523 184 HE2 LYS 39 1HE LYS 39 3.597 22.479 -8.786 185 HE3 LYS 39 2HE LYS 39 3.570 21.760 -7.175 186 HZ1 LYS 39 1HZ LYS 39 2.744 23.997 -7.155 187 HZ2 LYS 39 2HZ LYS 39 4.133 23.909 -6.269 188 HZ3 LYS 39 3HZ LYS 39 4.156 24.582 -7.775 189 H THR 40 H THR 40 9.494 18.108 -7.750 190 HA THR 40 HA THR 40 11.654 18.961 -9.633 191 HB THR 40 HB THR 40 13.198 18.946 -7.702 192 HG1 THR 40 HG1 THR 40 10.898 17.965 -6.422 193 HG21 THR 40 1HG2 THR 40 12.305 20.922 -6.531 194 HG22 THR 40 2HG2 THR 40 12.031 21.044 -8.286 195 HG23 THR 40 3HG2 THR 40 10.691 20.597 -7.205 196 H GLY 41 H GLY 41 10.095 16.351 -7.984 197 HA2 GLY 41 1HA GLY 41 10.371 14.048 -8.346 198 HA3 GLY 41 2HA GLY 41 11.747 14.379 -9.380 199 H GLN 42 H GLN 42 11.539 15.805 -6.183 200 HA GLN 42 HA GLN 42 13.726 13.974 -5.294 201 HB2 GLN 42 1HB GLN 42 13.611 17.000 -4.970 202 HB3 GLN 42 2HB GLN 42 14.822 15.954 -4.244 203 HG2 GLN 42 1HG GLN 42 15.600 15.281 -6.467 204 HG3 GLN 42 2HG GLN 42 14.364 16.335 -7.210 205 HE21 GLN 42 1HE2 GLN 42 17.579 18.167 -7.208 206 HE22 GLN 42 2HE2 GLN 42 16.970 16.702 -7.904 207 H CYS 43 H CYS 43 14.147 14.119 -2.922 208 HA CYS 43 HA CYS 43 11.557 14.451 -1.473 209 HB2 CYS 43 1HB CYS 43 13.977 12.744 -0.771 210 HB3 CYS 43 2HB CYS 43 12.531 12.898 0.215 211 H GLU 44 H GLU 44 11.480 15.522 0.485 212 HA GLU 44 HA GLU 44 13.929 16.800 1.506 213 HB2 GLU 44 1HB GLU 44 13.032 19.074 1.356 214 HB3 GLU 44 2HB GLU 44 13.172 18.370 -0.249 215 HG2 GLU 44 1HG GLU 44 10.743 17.853 -0.202 216 HG3 GLU 44 2HG GLU 44 10.630 18.645 1.368 217 H GLU 45 H GLU 45 13.661 17.803 3.566 218 HA GLU 45 HA GLU 45 11.417 16.581 5.077 219 HB2 GLU 45 1HB GLU 45 13.735 16.181 5.878 220 HB3 GLU 45 2HB GLU 45 13.975 17.913 6.057 221 HG2 GLU 45 1HG GLU 45 12.209 17.993 7.761 222 HG3 GLU 45 2HG GLU 45 11.941 16.262 7.572 223 H GLN 46 H GLN 46 9.931 17.705 6.208 224 HA GLN 46 HA GLN 46 10.156 20.652 6.327 225 HB2 GLN 46 1HB GLN 46 7.943 20.995 5.323 226 HB3 GLN 46 2HB GLN 46 9.028 20.225 4.175 227 HG2 GLN 46 1HG GLN 46 7.999 18.052 4.626 228 HG3 GLN 46 2HG GLN 46 6.906 18.820 5.811 229 HE21 GLN 46 1HE2 GLN 46 4.728 18.692 2.989 230 HE22 GLN 46 2HE2 GLN 46 5.275 17.783 4.358 231 H LYS 47 H LYS 47 8.606 21.654 7.733 232 HA LYS 47 HA LYS 47 8.136 19.979 10.077 233 HB2 LYS 47 1HB LYS 47 8.931 22.353 10.221 234 HB3 LYS 47 2HB LYS 47 7.382 22.888 9.584 235 HG2 LYS 47 1HG LYS 47 6.238 21.918 11.548 236 HG3 LYS 47 2HG LYS 47 7.802 21.398 12.191 237 HD2 LYS 47 1HD LYS 47 8.560 23.771 12.207 238 HD3 LYS 47 2HD LYS 47 6.963 24.266 11.628 239 HE2 LYS 47 1HE LYS 47 5.939 23.245 13.659 240 HE3 LYS 47 2HE LYS 47 7.553 22.833 14.245 241 HZ1 LYS 47 1HZ LYS 47 6.760 24.870 15.200 242 HZ2 LYS 47 2HZ LYS 47 8.081 25.174 14.259 243 HZ3 LYS 47 3HZ LYS 47 6.573 25.559 13.713 244 H GLY 48 H GLY 48 6.298 19.143 10.826 245 HA2 GLY 48 1HA GLY 48 3.777 19.940 10.925 246 HA3 GLY 48 2HA GLY 48 3.827 19.554 9.215 247 H THR 49 H THR 49 2.148 18.302 11.166 248 HA THR 49 HA THR 49 3.047 15.508 10.694 249 HB THR 49 HB THR 49 2.116 14.851 12.939 250 HG1 THR 49 HG1 THR 49 0.857 16.767 13.266 251 HG21 THR 49 1HG2 THR 49 4.055 15.637 14.240 252 HG22 THR 49 2HG2 THR 49 4.546 15.142 12.603 253 HG23 THR 49 3HG2 THR 49 4.392 16.868 13.002 254 H GLU 50 H GLU 50 1.553 15.927 8.860 255 HA GLU 50 HA GLU 50 -0.377 15.161 7.868 256 HB2 GLU 50 1HB GLU 50 -0.906 13.975 10.624 257 HB3 GLU 50 2HB GLU 50 -1.809 13.581 9.168 258 HG2 GLU 50 1HG GLU 50 0.297 12.740 8.137 259 HG3 GLU 50 2HG GLU 50 1.128 13.051 9.659 260 H CYS 51 H CYS 51 -0.506 17.748 8.419 261 HA CYS 51 HA CYS 51 -3.227 18.142 9.577 262 HB2 CYS 51 1HB CYS 51 -1.142 20.244 8.876 263 HB3 CYS 51 2HB CYS 51 -2.669 20.519 9.701 264 H GLY 52 H GLY 52 -3.742 16.965 7.408 265 HA2 GLY 52 1HA GLY 52 -5.239 17.433 5.625 266 HA3 GLY 52 2HA GLY 52 -4.703 19.102 5.608 267 H GLY 53 H GLY 53 -4.953 17.936 3.217 268 HA2 GLY 53 1HA GLY 53 -3.497 17.992 1.299 269 HA3 GLY 53 2HA GLY 53 -2.143 17.543 2.319 270 H GLY 54 H GLY 54 -1.633 15.876 0.790 271 HA2 GLY 54 1HA GLY 54 -3.517 13.592 0.615 272 HA3 GLY 54 2HA GLY 54 -2.024 13.779 -0.285 273 H GLU 55 H GLU 55 -1.575 11.562 0.357 274 HA GLU 55 HA GLU 55 -0.737 11.254 3.191 275 HB2 GLU 55 1HB GLU 55 -0.944 9.218 0.935 276 HB3 GLU 55 2HB GLU 55 -0.436 8.850 2.577 277 HG2 GLU 55 1HG GLU 55 -3.146 9.946 1.793 278 HG3 GLU 55 2HG GLU 55 -2.781 8.254 2.126 279 H ASN 56 H ASN 56 0.635 12.847 0.967 280 HA ASN 56 HA ASN 56 3.080 11.338 0.437 281 HB2 ASN 56 1HB ASN 56 2.122 12.975 -1.180 282 HB3 ASN 56 2HB ASN 56 2.458 14.271 -0.041 283 HD21 ASN 56 1HD2 ASN 56 5.194 13.719 -2.628 284 HD22 ASN 56 2HD2 ASN 56 3.468 13.712 -2.771 285 H HIS 57 H HIS 57 3.492 10.896 2.738 286 HA HIS 57 HA HIS 57 5.640 12.734 3.535 287 HB2 HIS 57 1HB HIS 57 4.873 12.968 5.862 288 HB3 HIS 57 2HB HIS 57 3.769 13.747 4.737 289 HD2 HIS 57 HD2 HIS 57 3.692 11.139 7.533 290 HE1 HIS 57 HE1 HIS 57 -0.053 10.902 5.514 291 HE2 HIS 57 HE2 HIS 57 1.270 10.186 7.572 292 H PHE 58 H PHE 58 7.139 11.819 4.978 293 HA PHE 58 HA PHE 58 6.896 8.862 5.222 294 HB2 PHE 58 1HB PHE 58 9.278 10.275 3.960 295 HB3 PHE 58 2HB PHE 58 9.099 8.545 4.201 296 HD1 PHE 58 HD1 PHE 58 8.152 11.416 2.166 297 HD2 PHE 58 HD2 PHE 58 7.532 7.242 2.835 298 HE1 PHE 58 HE1 PHE 58 7.097 11.217 -0.061 299 HE2 PHE 58 HE2 PHE 58 6.479 7.039 0.608 300 HZ PHE 58 HZ PHE 58 6.260 9.028 -0.840 301 H GLU 59 H GLU 59 8.453 7.883 6.635 302 HA GLU 59 HA GLU 59 8.976 9.277 9.034 303 HB2 GLU 59 1HB GLU 59 8.971 6.811 8.853 304 HB3 GLU 59 2HB GLU 59 10.428 6.866 7.870 305 HG2 GLU 59 1HG GLU 59 11.679 7.816 9.757 306 HG3 GLU 59 2HG GLU 59 10.219 7.790 10.744 307 H THR 60 H THR 60 11.169 8.582 6.297 308 HA THR 60 HA THR 60 12.617 11.067 6.868 309 HB THR 60 HB THR 60 13.739 9.377 8.358 310 HG1 THR 60 HG1 THR 60 15.404 10.594 7.928 311 HG21 THR 60 1HG2 THR 60 15.110 7.628 7.294 312 HG22 THR 60 2HG2 THR 60 13.384 7.389 6.935 313 HG23 THR 60 3HG2 THR 60 14.462 8.082 5.701 314 H LEU 61 H LEU 61 14.819 10.770 5.324 315 HA LEU 61 HA LEU 61 13.554 11.106 2.736 316 HB2 LEU 61 1HB LEU 61 16.456 11.230 3.624 317 HB3 LEU 61 2HB LEU 61 15.906 11.611 1.989 318 HG LEU 61 HG LEU 61 15.075 13.102 4.504 319 HD11 LEU 61 1HD1 LEU 61 16.524 14.883 3.635 320 HD12 LEU 61 2HD1 LEU 61 17.443 13.401 3.986 321 HD13 LEU 61 3HD1 LEU 61 17.035 13.818 2.304 322 HD21 LEU 61 1HD2 LEU 61 14.134 14.716 2.885 323 HD22 LEU 61 2HD2 LEU 61 14.611 13.649 1.543 324 HD23 LEU 61 3HD2 LEU 61 13.376 13.115 2.708 325 H LEU 62 H LEU 62 15.563 8.653 4.273 326 HA LEU 62 HA LEU 62 16.127 7.127 1.920 327 HB2 LEU 62 1HB LEU 62 15.873 6.328 4.838 328 HB3 LEU 62 2HB LEU 62 16.420 5.231 3.566 329 HG LEU 62 HG LEU 62 17.818 7.815 4.343 330 HD11 LEU 62 1HD1 LEU 62 19.477 6.336 5.383 331 HD12 LEU 62 2HD1 LEU 62 17.879 6.170 6.146 332 HD13 LEU 62 3HD1 LEU 62 18.455 4.928 5.010 333 HD21 LEU 62 1HD2 LEU 62 19.636 6.900 2.942 334 HD22 LEU 62 2HD2 LEU 62 18.617 5.498 2.534 335 HD23 LEU 62 3HD2 LEU 62 18.148 7.127 1.991 336 H LYS 63 H LYS 63 13.355 7.275 4.094 337 HA LYS 63 HA LYS 63 12.085 4.925 2.907 338 HB2 LYS 63 1HB LYS 63 11.071 7.056 4.827 339 HB3 LYS 63 2HB LYS 63 10.108 5.685 4.293 340 HG2 LYS 63 1HG LYS 63 12.701 5.544 5.861 341 HG3 LYS 63 2HG LYS 63 11.069 5.269 6.488 342 HD2 LYS 63 1HD LYS 63 10.803 3.340 4.965 343 HD3 LYS 63 2HD LYS 63 12.430 3.618 4.326 344 HE2 LYS 63 1HE LYS 63 13.355 3.273 6.618 345 HE3 LYS 63 2HE LYS 63 11.727 2.915 7.199 346 HZ1 LYS 63 1HZ LYS 63 12.943 0.925 6.698 347 HZ2 LYS 63 2HZ LYS 63 11.655 1.061 5.677 348 HZ3 LYS 63 3HZ LYS 63 13.176 1.395 5.135 349 H CYS 64 H CYS 64 11.948 8.427 2.511 350 HA CYS 64 HA CYS 64 9.741 8.524 0.715 351 HB2 CYS 64 1HB CYS 64 10.789 10.537 1.701 352 HB3 CYS 64 2HB CYS 64 12.253 10.240 0.775 353 H ASN 65 H ASN 65 13.254 8.274 0.048 354 HA ASN 65 HA ASN 65 12.940 7.937 -2.777 355 HB2 ASN 65 1HB ASN 65 15.059 8.599 -1.625 356 HB3 ASN 65 2HB ASN 65 15.205 6.959 -1.007 357 HD21 ASN 65 1HD2 ASN 65 17.000 5.998 -3.788 358 HD22 ASN 65 2HD2 ASN 65 16.779 5.989 -2.071 359 H GLU 66 H GLU 66 13.257 5.584 -0.124 360 HA GLU 66 HA GLU 66 13.348 3.249 -1.709 361 HB2 GLU 66 1HB GLU 66 13.776 3.275 0.727 362 HB3 GLU 66 2HB GLU 66 12.086 3.647 1.034 363 HG2 GLU 66 1HG GLU 66 11.416 1.492 0.088 364 HG3 GLU 66 2HG GLU 66 13.097 1.119 -0.287 365 H SER 67 H SER 67 10.519 4.943 -0.329 366 HA SER 67 HA SER 67 8.567 3.110 -1.267 367 HB2 SER 67 1HB SER 67 8.387 6.091 -0.729 368 HB3 SER 67 2HB SER 67 6.997 5.062 -1.040 369 HG SER 67 HG SER 67 8.781 5.068 1.101 370 H CYS 68 H CYS 68 10.024 5.965 -2.798 371 HA CYS 68 HA CYS 68 8.274 5.983 -5.073 372 HB2 CYS 68 1HB CYS 68 11.072 7.101 -4.663 373 HB3 CYS 68 2HB CYS 68 10.120 7.373 -6.116 374 H ASN 69 H ASN 69 11.305 4.330 -4.333 375 HA ASN 69 HA ASN 69 11.627 3.234 -7.001 376 HB2 ASN 69 1HB ASN 69 12.812 2.614 -4.294 377 HB3 ASN 69 2HB ASN 69 13.110 1.563 -5.672 378 HD21 ASN 69 1HD2 ASN 69 14.965 5.150 -5.322 379 HD22 ASN 69 2HD2 ASN 69 13.758 4.622 -4.198 380 H ASP 70 H ASP 70 9.921 2.272 -4.083 381 HA ASP 70 HA ASP 70 9.331 -0.408 -4.965 382 HB2 ASP 70 1HB ASP 70 8.051 1.432 -2.916 383 HB3 ASP 70 2HB ASP 70 7.444 -0.187 -3.233 384 H ALA 71 H ALA 71 7.899 2.739 -5.540 385 HA ALA 71 HA ALA 71 5.367 1.991 -6.491 386 HB1 ALA 71 1HB ALA 71 5.466 4.046 -7.864 387 HB2 ALA 71 2HB ALA 71 6.062 4.328 -6.211 388 HB3 ALA 71 3HB ALA 71 7.214 4.158 -7.555 389 HA PRO 72 HA PRO 72 6.289 -0.464 -9.931 390 HB2 PRO 72 1HB PRO 72 3.799 -0.573 -11.094 391 HB3 PRO 72 2HB PRO 72 4.172 -1.399 -9.575 392 HG2 PRO 72 1HG PRO 72 2.848 1.314 -10.000 393 HG3 PRO 72 2HG PRO 72 2.324 -0.006 -8.950 394 HD2 PRO 72 1HD PRO 72 3.742 2.098 -7.965 395 HD3 PRO 72 2HD PRO 72 3.982 0.423 -7.326 396 H LYS 73 H LYS 73 5.179 2.795 -10.142 397 HA LYS 73 HA LYS 73 4.933 3.211 -12.914 398 HB2 LYS 73 1HB LYS 73 4.425 4.910 -11.158 399 HB3 LYS 73 2HB LYS 73 6.147 5.101 -10.858 400 HG2 LYS 73 1HG LYS 73 6.484 5.954 -13.124 401 HG3 LYS 73 2HG LYS 73 4.777 5.685 -13.500 402 HD2 LYS 73 1HD LYS 73 4.145 7.272 -11.692 403 HD3 LYS 73 2HD LYS 73 5.860 7.564 -11.367 404 HE2 LYS 73 1HE LYS 73 6.161 8.414 -13.662 405 HE3 LYS 73 2HE LYS 73 4.460 8.098 -14.014 406 HZ1 LYS 73 1HZ LYS 73 4.832 10.384 -13.446 407 HZ2 LYS 73 2HZ LYS 73 3.873 9.677 -12.306 408 HZ3 LYS 73 3HZ LYS 73 5.462 9.974 -11.978 409 HA PRO 74 HA PRO 74 8.901 2.020 -14.357 410 HB2 PRO 74 1HB PRO 74 7.926 3.685 -16.712 411 HB3 PRO 74 2HB PRO 74 8.675 2.083 -16.719 412 HG2 PRO 74 1HG PRO 74 6.039 2.236 -17.031 413 HG3 PRO 74 2HG PRO 74 6.697 0.997 -15.957 414 HD2 PRO 74 1HD PRO 74 5.455 3.685 -15.252 415 HD3 PRO 74 2HD PRO 74 5.226 2.078 -14.453 416 HA PRO 75 HA PRO 75 11.032 5.787 -13.422 417 HB2 PRO 75 1HB PRO 75 13.601 4.899 -13.826 418 HB3 PRO 75 2HB PRO 75 12.646 4.420 -12.417 419 HG2 PRO 75 1HG PRO 75 13.078 2.918 -15.033 420 HG3 PRO 75 2HG PRO 75 13.208 2.301 -13.383 421 HD2 PRO 75 1HD PRO 75 10.945 1.933 -14.853 422 HD3 PRO 75 2HD PRO 75 10.873 2.213 -13.067 423 H CYS 76 H CYS 76 11.025 4.092 -16.431 424 HA CYS 76 HA CYS 76 12.656 6.039 -17.883 425 HB2 CYS 76 1HB CYS 76 10.868 3.775 -18.853 426 HB3 CYS 76 2HB CYS 76 11.881 4.761 -19.897 427 H SER 77 H SER 77 9.581 6.118 -16.615 428 HA SER 77 HA SER 77 8.585 7.969 -18.704 429 HB2 SER 77 1HB SER 77 6.541 8.036 -17.423 430 HB3 SER 77 2HB SER 77 7.030 6.359 -17.615 431 HG SER 77 HG SER 77 7.982 6.497 -15.556 432 H LEU 78 H LEU 78 10.767 8.139 -16.278 433 HA LEU 78 HA LEU 78 9.856 10.814 -15.326 434 HB2 LEU 78 1HB LEU 78 11.981 8.984 -14.156 435 HB3 LEU 78 2HB LEU 78 11.390 10.492 -13.451 436 HG LEU 78 HG LEU 78 9.735 7.972 -13.836 437 HD11 LEU 78 1HD1 LEU 78 9.907 7.781 -11.395 438 HD12 LEU 78 2HD1 LEU 78 11.503 7.685 -12.176 439 HD13 LEU 78 3HD1 LEU 78 10.999 9.185 -11.362 440 HD21 LEU 78 1HD2 LEU 78 8.097 9.178 -12.431 441 HD22 LEU 78 2HD2 LEU 78 9.163 10.604 -12.412 442 HD23 LEU 78 3HD2 LEU 78 8.424 10.065 -13.939 443 H GLU 79 H GLU 79 11.447 12.495 -15.052 444 HA GLU 79 HA GLU 79 13.349 12.516 -17.308 445 HB2 GLU 79 1HB GLU 79 12.462 14.674 -15.353 446 HB3 GLU 79 2HB GLU 79 13.644 14.933 -16.629 447 HG2 GLU 79 1HG GLU 79 11.948 14.357 -18.319 448 HG3 GLU 79 2HG GLU 79 10.763 14.103 -17.039 449 H VAL 80 H VAL 80 15.509 13.542 -16.952 450 HA VAL 80 HA VAL 80 17.008 11.992 -15.083 451 HB VAL 80 HB VAL 80 17.731 14.513 -16.635 452 HG11 VAL 80 1HG1 VAL 80 20.066 13.947 -16.174 453 HG12 VAL 80 2HG1 VAL 80 19.165 14.319 -14.685 454 HG13 VAL 80 3HG1 VAL 80 19.535 12.629 -15.103 455 HG21 VAL 80 1HG2 VAL 80 18.906 12.907 -18.105 456 HG22 VAL 80 2HG2 VAL 80 18.331 11.561 -17.092 457 HG23 VAL 80 3HG2 VAL 80 17.167 12.542 -18.014 458 H ASP 81 H ASP 81 17.643 12.322 -13.048 459 HA ASP 81 HA ASP 81 17.577 15.045 -11.916 460 HB2 ASP 81 1HB ASP 81 15.296 14.118 -11.495 461 HB3 ASP 81 2HB ASP 81 16.019 12.752 -10.655 462 H TYR 82 H TYR 82 19.739 15.045 -11.573 463 HA TYR 82 HA TYR 82 20.873 12.779 -10.005 464 HB2 TYR 82 1HB TYR 82 23.092 13.780 -10.715 465 HB3 TYR 82 2HB TYR 82 22.113 13.126 -12.021 466 HD1 TYR 82 HD1 TYR 82 23.269 16.236 -10.388 467 HD2 TYR 82 HD2 TYR 82 21.257 14.512 -13.763 468 HE1 TYR 82 HE1 TYR 82 23.411 18.398 -11.578 469 HE2 TYR 82 HE2 TYR 82 21.400 16.673 -14.953 470 HH TYR 82 HH TYR 82 22.905 19.515 -13.431 471 H GLY 83 H GLY 83 19.282 15.288 -9.131 472 HA2 GLY 83 1HA GLY 83 19.223 16.262 -6.998 473 HA3 GLY 83 2HA GLY 83 20.804 15.587 -6.652 474 H VAL 84 H VAL 84 20.508 18.035 -5.751 475 HA VAL 84 HA VAL 84 22.121 19.658 -7.668 476 HB VAL 84 HB VAL 84 21.037 21.702 -6.693 477 HG11 VAL 84 1HG1 VAL 84 18.945 21.504 -7.945 478 HG12 VAL 84 2HG1 VAL 84 20.326 20.831 -8.844 479 HG13 VAL 84 3HG1 VAL 84 19.169 19.742 -8.040 480 HG21 VAL 84 1HG2 VAL 84 18.908 21.412 -5.466 481 HG22 VAL 84 2HG2 VAL 84 19.140 19.647 -5.484 482 HG23 VAL 84 3HG2 VAL 84 20.267 20.684 -4.577 483 H GLY 85 H GLY 85 23.365 17.998 -5.912 484 HA2 GLY 85 1HA GLY 85 23.814 19.492 -3.377 485 HA3 GLY 85 2HA GLY 85 24.214 17.809 -3.666 486 H ARG 86 H ARG 86 26.368 17.659 -3.386 487 HA ARG 86 HA ARG 86 28.120 19.524 -4.895 488 HB2 ARG 86 1HB ARG 86 28.267 19.038 -1.901 489 HB3 ARG 86 2HB ARG 86 29.533 19.816 -2.840 490 HG2 ARG 86 1HG ARG 86 26.698 20.857 -2.627 491 HG3 ARG 86 2HG ARG 86 28.062 21.394 -1.618 492 HD2 ARG 86 1HD ARG 86 29.255 22.084 -3.632 493 HD3 ARG 86 2HD ARG 86 27.855 21.592 -4.613 494 HE ARG 86 HE ARG 86 28.080 23.939 -2.876 495 HH11 ARG 86 1HH1 ARG 86 26.007 21.865 -4.810 496 HH12 ARG 86 2HH1 ARG 86 24.748 23.067 -4.977 497 HH21 ARG 86 1HH2 ARG 86 26.439 25.492 -3.100 498 HH22 ARG 86 2HH2 ARG 86 24.991 25.121 -4.009 499 H ALA 87 H ALA 87 27.327 16.432 -3.883 500 HA ALA 87 HA ALA 87 29.991 15.300 -3.788 501 HB1 ALA 87 1HB ALA 87 28.813 13.129 -3.921 502 HB2 ALA 87 2HB ALA 87 28.094 14.195 -2.691 503 HB3 ALA 87 3HB ALA 87 27.292 13.985 -4.265 504 H ASN 88 H ASN 88 30.719 13.600 -5.313 505 HA ASN 88 HA ASN 88 29.948 14.261 -8.119 506 HB2 ASN 88 1HB ASN 88 32.772 13.937 -7.048 507 HB3 ASN 88 2HB ASN 88 32.346 14.080 -8.748 508 HD21 ASN 88 1HD2 ASN 88 32.761 17.340 -6.446 509 HD22 ASN 88 2HD2 ASN 88 33.107 15.733 -5.902 510 H ILE 89 H ILE 89 28.616 12.312 -7.628 511 HA ILE 89 HA ILE 89 30.245 9.840 -8.018 512 HB ILE 89 HB ILE 89 27.406 10.146 -6.948 513 HG12 ILE 89 1HG1 ILE 89 29.908 9.244 -5.508 514 HG13 ILE 89 2HG1 ILE 89 29.273 10.880 -5.438 515 HG21 ILE 89 1HG2 ILE 89 27.551 7.728 -6.511 516 HG22 ILE 89 2HG2 ILE 89 27.697 8.073 -8.250 517 HG23 ILE 89 3HG2 ILE 89 29.147 7.677 -7.297 518 HD11 ILE 89 1HD1 ILE 89 28.587 9.589 -3.495 519 HD12 ILE 89 2HD1 ILE 89 27.173 10.038 -4.479 520 HD13 ILE 89 3HD1 ILE 89 27.818 8.380 -4.549 521 HA PRO 90 HA PRO 90 28.596 10.024 -12.101 522 HB2 PRO 90 1HB PRO 90 29.889 7.797 -13.076 523 HB3 PRO 90 2HB PRO 90 30.714 9.341 -12.821 524 HG2 PRO 90 1HG PRO 90 30.607 6.906 -10.990 525 HG3 PRO 90 2HG PRO 90 32.020 7.845 -11.479 526 HD2 PRO 90 1HD PRO 90 30.799 8.293 -9.092 527 HD3 PRO 90 2HD PRO 90 31.502 9.655 -10.053 528 H ARG 91 H ARG 91 26.502 9.476 -12.290 529 HA ARG 91 HA ARG 91 25.776 6.602 -12.025 530 HB2 ARG 91 1HB ARG 91 24.165 8.906 -10.876 531 HB3 ARG 91 2HB ARG 91 23.672 7.220 -10.899 532 HG2 ARG 91 1HG ARG 91 25.646 6.675 -9.466 533 HG3 ARG 91 2HG ARG 91 25.981 8.420 -9.356 534 HD2 ARG 91 1HD ARG 91 24.768 7.861 -7.439 535 HD3 ARG 91 2HD ARG 91 23.619 8.677 -8.524 536 HE ARG 91 HE ARG 91 22.447 6.702 -8.772 537 HH11 ARG 91 1HH1 ARG 91 25.461 6.104 -7.068 538 HH12 ARG 91 2HH1 ARG 91 25.012 4.483 -6.586 539 HH21 ARG 91 1HH2 ARG 91 21.876 4.597 -8.140 540 HH22 ARG 91 2HH2 ARG 91 22.983 3.630 -7.192 541 H TRP 92 H TRP 92 23.836 5.997 -13.160 542 HA TRP 92 HA TRP 92 23.689 7.582 -15.668 543 HB2 TRP 92 1HB TRP 92 23.084 4.681 -15.005 544 HB3 TRP 92 2HB TRP 92 22.617 5.410 -16.535 545 HD1 TRP 92 HD1 TRP 92 25.743 4.360 -14.546 546 HE1 TRP 92 HE1 TRP 92 27.750 4.185 -16.167 547 HE3 TRP 92 HE3 TRP 92 23.524 6.273 -18.756 548 HZ2 TRP 92 HZ2 TRP 92 28.292 4.782 -18.872 549 HZ3 TRP 92 HZ3 TRP 92 24.844 6.445 -20.828 550 HH2 TRP 92 HH2 TRP 92 27.190 5.711 -20.893 551 H TYR 93 H TYR 93 21.878 8.481 -16.422 552 HA TYR 93 HA TYR 93 19.313 7.800 -15.064 553 HB2 TYR 93 1HB TYR 93 20.311 10.613 -15.676 554 HB3 TYR 93 2HB TYR 93 18.701 10.215 -15.092 555 HD1 TYR 93 HD1 TYR 93 22.281 10.349 -14.222 556 HD2 TYR 93 HD2 TYR 93 18.296 9.645 -12.795 557 HE1 TYR 93 HE1 TYR 93 23.090 10.493 -11.891 558 HE2 TYR 93 HE2 TYR 93 19.106 9.789 -10.464 559 HH TYR 93 HH TYR 93 20.843 10.178 -9.140 560 H TYR 94 H TYR 94 17.498 7.828 -16.299 561 HA TYR 94 HA TYR 94 17.969 7.825 -19.208 562 HB2 TYR 94 1HB TYR 94 16.651 6.003 -18.144 563 HB3 TYR 94 2HB TYR 94 15.464 7.181 -17.600 564 HD1 TYR 94 HD1 TYR 94 17.113 5.945 -20.724 565 HD2 TYR 94 HD2 TYR 94 13.613 7.640 -18.911 566 HE1 TYR 94 HE1 TYR 94 15.887 5.694 -22.855 567 HE2 TYR 94 HE2 TYR 94 12.387 7.388 -21.042 568 HH TYR 94 HH TYR 94 12.479 6.707 -23.148 569 H ASP 95 H ASP 95 17.673 9.502 -20.463 570 HA ASP 95 HA ASP 95 15.971 11.737 -19.542 571 HB2 ASP 95 1HB ASP 95 18.163 12.244 -20.576 572 HB3 ASP 95 2HB ASP 95 17.672 11.420 -22.049 573 H THR 96 H THR 96 13.866 11.254 -19.721 574 HA THR 96 HA THR 96 12.793 9.540 -21.749 575 HB THR 96 HB THR 96 11.401 11.571 -19.950 576 HG1 THR 96 HG1 THR 96 12.054 10.043 -18.593 577 HG21 THR 96 1HG2 THR 96 9.355 10.296 -20.457 578 HG22 THR 96 2HG2 THR 96 10.041 11.012 -21.935 579 HG23 THR 96 3HG2 THR 96 10.266 9.280 -21.599 580 H ASN 97 H ASN 97 13.176 13.044 -21.503 581 HA ASN 97 HA ASN 97 11.374 13.699 -23.634 582 HB2 ASN 97 1HB ASN 97 13.706 15.191 -22.398 583 HB3 ASN 97 2HB ASN 97 12.690 15.878 -23.659 584 HD21 ASN 97 1HD2 ASN 97 11.498 16.782 -20.201 585 HD22 ASN 97 2HD2 ASN 97 13.058 16.807 -20.954 586 H ASN 98 H ASN 98 14.830 12.950 -23.554 587 HA ASN 98 HA ASN 98 14.871 13.184 -26.527 588 HB2 ASN 98 1HB ASN 98 17.099 13.099 -24.471 589 HB3 ASN 98 2HB ASN 98 17.377 12.985 -26.204 590 HD21 ASN 98 1HD2 ASN 98 17.036 16.543 -24.486 591 HD22 ASN 98 2HD2 ASN 98 17.295 15.049 -23.648 592 H ALA 99 H ALA 99 14.423 10.930 -24.118 593 HA ALA 99 HA ALA 99 14.369 8.635 -24.138 594 HB1 ALA 99 1HB ALA 99 13.959 7.543 -26.320 595 HB2 ALA 99 2HB ALA 99 12.957 8.999 -26.113 596 HB3 ALA 99 3HB ALA 99 14.401 9.053 -27.150 597 H THR 100 H THR 100 16.763 9.386 -23.446 598 HA THR 100 HA THR 100 18.512 7.388 -24.730 599 HB THR 100 HB THR 100 18.958 9.489 -26.003 600 HG1 THR 100 HG1 THR 100 21.304 9.400 -24.669 601 HG21 THR 100 1HG2 THR 100 20.048 11.371 -24.846 602 HG22 THR 100 2HG2 THR 100 18.408 11.098 -24.211 603 HG23 THR 100 3HG2 THR 100 19.823 10.548 -23.285 604 H CYS 101 H CYS 101 20.264 6.728 -23.465 605 HA CYS 101 HA CYS 101 19.977 7.446 -20.594 606 HB2 CYS 101 1HB CYS 101 21.422 5.130 -21.940 607 HB3 CYS 101 2HB CYS 101 21.380 5.411 -20.205 608 H GLU 102 H GLU 102 21.400 8.693 -19.607 609 HA GLU 102 HA GLU 102 24.151 8.887 -20.728 610 HB2 GLU 102 1HB GLU 102 22.342 11.237 -20.036 611 HB3 GLU 102 2HB GLU 102 24.068 11.374 -20.339 612 HG2 GLU 102 1HG GLU 102 23.723 10.491 -22.624 613 HG3 GLU 102 2HG GLU 102 21.990 10.408 -22.314 614 H MET 103 H MET 103 25.729 9.743 -19.252 615 HA MET 103 HA MET 103 25.023 9.021 -16.453 616 HB2 MET 103 1HB MET 103 26.907 7.808 -17.540 617 HB3 MET 103 2HB MET 103 27.748 9.333 -17.776 618 HG2 MET 103 1HG MET 103 27.950 9.646 -15.371 619 HG3 MET 103 2HG MET 103 26.985 8.198 -15.070 620 HE1 MET 103 1HE MET 103 31.300 8.292 -16.711 621 HE2 MET 103 2HE MET 103 29.944 9.025 -17.602 622 HE3 MET 103 3HE MET 103 30.429 9.681 -16.019 623 H PHE 104 H PHE 104 25.011 10.424 -14.841 624 HA PHE 104 HA PHE 104 25.963 13.192 -15.448 625 HB2 PHE 104 1HB PHE 104 23.413 12.366 -14.005 626 HB3 PHE 104 2HB PHE 104 24.014 14.013 -14.105 627 HD1 PHE 104 HD1 PHE 104 22.504 11.238 -15.971 628 HD2 PHE 104 HD2 PHE 104 23.866 15.283 -16.154 629 HE1 PHE 104 HE1 PHE 104 21.308 11.542 -18.114 630 HE2 PHE 104 HE2 PHE 104 22.669 15.592 -18.295 631 HZ PHE 104 HZ PHE 104 21.391 13.720 -19.276 632 H THR 105 H THR 105 26.248 14.539 -13.477 633 HA THR 105 HA THR 105 27.741 12.967 -11.484 634 HB THR 105 HB THR 105 27.418 15.982 -11.810 635 HG1 THR 105 HG1 THR 105 29.760 15.562 -12.420 636 HG21 THR 105 1HG2 THR 105 29.327 16.118 -10.258 637 HG22 THR 105 2HG2 THR 105 27.934 15.324 -9.485 638 HG23 THR 105 3HG2 THR 105 29.304 14.350 -10.067 639 H TYR 106 H TYR 106 26.803 12.180 -9.756 640 HA TYR 106 HA TYR 106 24.194 13.230 -8.913 641 HB2 TYR 106 1HB TYR 106 24.583 10.789 -9.023 642 HB3 TYR 106 2HB TYR 106 25.872 10.929 -7.836 643 HD1 TYR 106 HD1 TYR 106 22.365 12.252 -8.074 644 HD2 TYR 106 HD2 TYR 106 25.277 10.076 -5.796 645 HE1 TYR 106 HE1 TYR 106 20.721 11.959 -6.252 646 HE2 TYR 106 HE2 TYR 106 23.633 9.782 -3.974 647 HH TYR 106 HH TYR 106 20.315 11.022 -4.273 648 H GLY 107 H GLY 107 23.826 14.633 -7.357 649 HA2 GLY 107 1HA GLY 107 26.204 15.809 -6.068 650 HA3 GLY 107 2HA GLY 107 24.598 16.509 -6.136 651 H GLY 108 H GLY 108 23.585 13.692 -5.283 652 HA2 GLY 108 1HA GLY 108 23.702 12.319 -3.315 653 HA3 GLY 108 2HA GLY 108 24.605 13.577 -2.493 654 H ILE 109 H ILE 109 21.813 14.474 -4.377 655 HA ILE 109 HA ILE 109 20.385 15.114 -1.840 656 HB ILE 109 HB ILE 109 19.997 16.297 -4.623 657 HG12 ILE 109 1HG1 ILE 109 22.163 16.915 -3.730 658 HG13 ILE 109 2HG1 ILE 109 21.076 18.295 -3.724 659 HG21 ILE 109 1HG2 ILE 109 18.628 17.969 -3.442 660 HG22 ILE 109 2HG2 ILE 109 17.957 16.334 -3.239 661 HG23 ILE 109 3HG2 ILE 109 18.869 17.092 -1.913 662 HD11 ILE 109 1HD1 ILE 109 22.397 18.211 -1.685 663 HD12 ILE 109 2HD1 ILE 109 20.669 17.982 -1.322 664 HD13 ILE 109 3HD1 ILE 109 21.772 16.585 -1.327 665 H THR 110 H THR 110 19.671 12.876 -1.706 666 HA THR 110 HA THR 110 18.133 11.184 -2.073 667 HB THR 110 HB THR 110 15.823 11.905 -2.102 668 HG1 THR 110 HG1 THR 110 16.828 13.902 -3.636 669 HG21 THR 110 1HG2 THR 110 15.829 13.621 -0.334 670 HG22 THR 110 2HG2 THR 110 17.087 12.397 -0.036 671 HG23 THR 110 3HG2 THR 110 17.531 13.990 -0.691 672 H GLY 111 H GLY 111 15.747 11.965 -3.960 673 HA2 GLY 111 1HA GLY 111 16.121 12.331 -6.542 674 HA3 GLY 111 2HA GLY 111 17.053 10.853 -6.399 675 H ASN 112 H ASN 112 15.601 9.799 -7.837 676 HA ASN 112 HA ASN 112 13.206 8.745 -6.464 677 HB2 ASN 112 1HB ASN 112 11.760 9.148 -8.410 678 HB3 ASN 112 2HB ASN 112 12.322 10.655 -7.699 679 HD21 ASN 112 1HD2 ASN 112 13.735 11.823 -10.621 680 HD22 ASN 112 2HD2 ASN 112 13.161 12.119 -9.014 681 H LYS 113 H LYS 113 12.084 7.351 -8.551 682 HA LYS 113 HA LYS 113 13.668 5.006 -8.321 683 HB2 LYS 113 1HB LYS 113 11.159 5.133 -8.700 684 HB3 LYS 113 2HB LYS 113 11.491 5.515 -10.383 685 HG2 LYS 113 1HG LYS 113 12.608 3.357 -10.686 686 HG3 LYS 113 2HG LYS 113 12.364 2.974 -8.976 687 HD2 LYS 113 1HD LYS 113 9.903 3.129 -9.310 688 HD3 LYS 113 2HD LYS 113 10.172 3.458 -11.028 689 HE2 LYS 113 1HE LYS 113 11.353 1.265 -11.226 690 HE3 LYS 113 2HE LYS 113 10.974 0.934 -9.534 691 HZ1 LYS 113 1HZ LYS 113 9.396 -0.081 -11.007 692 HZ2 LYS 113 2HZ LYS 113 8.643 1.067 -10.091 693 HZ3 LYS 113 3HZ LYS 113 8.998 1.375 -11.672 694 H ASN 114 H ASN 114 13.497 7.468 -10.824 695 HA ASN 114 HA ASN 114 15.028 5.981 -12.773 696 HB2 ASN 114 1HB ASN 114 13.547 7.930 -13.305 697 HB3 ASN 114 2HB ASN 114 14.700 8.986 -12.500 698 HD21 ASN 114 1HD2 ASN 114 15.430 9.099 -16.096 699 HD22 ASN 114 2HD2 ASN 114 14.111 9.513 -15.053 700 H ASN 115 H ASN 115 16.748 5.096 -11.591 701 HA ASN 115 HA ASN 115 19.067 6.851 -11.370 702 HB2 ASN 115 1HB ASN 115 17.891 7.291 -9.224 703 HB3 ASN 115 2HB ASN 115 17.947 5.573 -8.854 704 HD21 ASN 115 1HD2 ASN 115 20.784 7.421 -7.243 705 HD22 ASN 115 2HD2 ASN 115 19.071 7.672 -7.300 706 H PHE 116 H PHE 116 20.308 5.621 -12.614 707 HA PHE 116 HA PHE 116 20.407 2.701 -11.980 708 HB2 PHE 116 1HB PHE 116 21.026 4.061 -14.632 709 HB3 PHE 116 2HB PHE 116 20.999 2.332 -14.326 710 HD1 PHE 116 HD1 PHE 116 19.042 5.265 -15.101 711 HD2 PHE 116 HD2 PHE 116 18.829 1.204 -13.790 712 HE1 PHE 116 HE1 PHE 116 16.645 5.198 -15.703 713 HE2 PHE 116 HE2 PHE 116 16.433 1.132 -14.394 714 HZ PHE 116 HZ PHE 116 15.340 3.131 -15.349 715 H GLU 117 H GLU 117 22.424 1.607 -12.252 716 HA GLU 117 HA GLU 117 24.745 3.426 -11.765 717 HB2 GLU 117 1HB GLU 117 24.271 0.564 -10.839 718 HB3 GLU 117 2HB GLU 117 25.765 1.456 -10.593 719 HG2 GLU 117 1HG GLU 117 24.510 3.142 -9.272 720 HG3 GLU 117 2HG GLU 117 23.050 2.175 -9.471 721 H SER 118 H SER 118 23.400 1.859 -14.216 722 HA SER 118 HA SER 118 25.956 1.606 -15.607 723 HB2 SER 118 1HB SER 118 25.804 -0.603 -14.554 724 HB3 SER 118 2HB SER 118 24.186 -0.827 -15.200 725 HG SER 118 HG SER 118 26.127 -1.692 -16.338 726 H GLU 119 H GLU 119 25.775 1.740 -17.814 727 HA GLU 119 HA GLU 119 23.470 2.907 -18.947 728 HB2 GLU 119 1HB GLU 119 25.735 3.009 -19.959 729 HB3 GLU 119 2HB GLU 119 25.649 1.294 -20.337 730 HG2 GLU 119 1HG GLU 119 23.755 1.703 -21.839 731 HG3 GLU 119 2HG GLU 119 23.796 3.419 -21.438 732 H GLU 120 H GLU 120 24.513 -0.497 -18.880 733 HA GLU 120 HA GLU 120 22.463 -1.568 -20.503 734 HB2 GLU 120 1HB GLU 120 24.429 -2.858 -19.722 735 HB3 GLU 120 2HB GLU 120 23.817 -2.813 -18.075 736 HG2 GLU 120 1HG GLU 120 21.859 -4.122 -18.743 737 HG3 GLU 120 2HG GLU 120 22.424 -4.135 -20.412 738 H GLU 121 H GLU 121 22.523 -1.014 -16.975 739 HA GLU 121 HA GLU 121 19.978 -2.093 -16.394 740 HB2 GLU 121 1HB GLU 121 21.538 0.168 -15.090 741 HB3 GLU 121 2HB GLU 121 20.034 -0.459 -14.431 742 HG2 GLU 121 1HG GLU 121 21.025 -2.656 -14.137 743 HG3 GLU 121 2HG GLU 121 22.512 -2.124 -14.918 744 H CYS 122 H CYS 122 20.894 1.217 -17.354 745 HA CYS 122 HA CYS 122 18.314 2.371 -17.146 746 HB2 CYS 122 1HB CYS 122 20.354 3.710 -17.454 747 HB3 CYS 122 2HB CYS 122 20.584 3.036 -19.061 748 H LYS 123 H LYS 123 19.954 0.924 -19.986 749 HA LYS 123 HA LYS 123 17.740 1.507 -21.741 750 HB2 LYS 123 1HB LYS 123 20.174 -0.293 -22.019 751 HB3 LYS 123 2HB LYS 123 18.988 -0.088 -23.301 752 HG2 LYS 123 1HG LYS 123 19.472 2.322 -23.387 753 HG3 LYS 123 2HG LYS 123 20.645 2.137 -22.075 754 HD2 LYS 123 1HD LYS 123 22.010 0.646 -23.455 755 HD3 LYS 123 2HD LYS 123 20.808 0.705 -24.753 756 HE2 LYS 123 1HE LYS 123 21.190 3.110 -25.039 757 HE3 LYS 123 2HE LYS 123 22.324 3.115 -23.685 758 HZ1 LYS 123 1HZ LYS 123 23.455 3.020 -25.783 759 HZ2 LYS 123 2HZ LYS 123 23.735 1.632 -24.936 760 HZ3 LYS 123 3HZ LYS 123 22.677 1.628 -26.201 761 H GLU 124 H GLU 124 18.815 -1.404 -20.006 762 HA GLU 124 HA GLU 124 16.941 -3.147 -21.333 763 HB2 GLU 124 1HB GLU 124 18.531 -3.439 -18.755 764 HB3 GLU 124 2HB GLU 124 17.529 -4.719 -19.424 765 HG2 GLU 124 1HG GLU 124 19.919 -3.444 -20.772 766 HG3 GLU 124 2HG GLU 124 19.881 -5.020 -19.983 767 H THR 125 H THR 125 16.874 -1.260 -18.343 768 HA THR 125 HA THR 125 14.427 -2.285 -17.307 769 HB THR 125 HB THR 125 15.647 0.497 -17.061 770 HG1 THR 125 HG1 THR 125 16.976 -0.952 -16.075 771 HG21 THR 125 1HG2 THR 125 14.186 0.737 -15.092 772 HG22 THR 125 2HG2 THR 125 13.225 0.519 -16.574 773 HG23 THR 125 3HG2 THR 125 13.442 -0.839 -15.446 774 H CYS 126 H CYS 126 15.097 0.347 -19.608 775 HA CYS 126 HA CYS 126 12.359 1.141 -19.917 776 HB2 CYS 126 1HB CYS 126 14.763 1.431 -21.757 777 HB3 CYS 126 2HB CYS 126 13.195 2.155 -22.082 778 H LYS 127 H LYS 127 14.395 -1.276 -21.516 779 HA LYS 127 HA LYS 127 12.519 -2.043 -23.529 780 HB2 LYS 127 1HB LYS 127 14.713 -3.591 -22.104 781 HB3 LYS 127 2HB LYS 127 13.769 -4.263 -23.426 782 HG2 LYS 127 1HG LYS 127 14.580 -2.494 -24.929 783 HG3 LYS 127 2HG LYS 127 15.507 -1.784 -23.599 784 HD2 LYS 127 1HD LYS 127 16.740 -3.967 -23.373 785 HD3 LYS 127 2HD LYS 127 15.892 -4.543 -24.816 786 HE2 LYS 127 1HE LYS 127 16.857 -2.706 -26.139 787 HE3 LYS 127 2HE LYS 127 17.668 -2.077 -24.703 788 HZ1 LYS 127 1HZ LYS 127 19.139 -3.394 -26.041 789 HZ2 LYS 127 2HZ LYS 127 18.912 -4.125 -24.580 790 HZ3 LYS 127 3HZ LYS 127 18.155 -4.712 -25.923 791 H GLY 128 H GLY 128 12.935 -3.036 -20.149 792 HA2 GLY 128 1HA GLY 128 10.739 -3.473 -18.993 793 HA3 GLY 128 2HA GLY 128 10.312 -4.475 -20.368 794 H PHE 129 H PHE 129 13.541 -4.326 -18.925 795 HA PHE 129 HA PHE 129 13.681 -7.186 -18.646 796 HB2 PHE 129 1HB PHE 129 15.672 -5.749 -19.023 797 HB3 PHE 129 2HB PHE 129 15.449 -5.019 -17.441 798 HD1 PHE 129 HD1 PHE 129 16.115 -8.258 -19.141 799 HD2 PHE 129 HD2 PHE 129 16.355 -6.002 -15.520 800 HE1 PHE 129 HE1 PHE 129 17.500 -10.037 -18.126 801 HE2 PHE 129 HE2 PHE 129 17.742 -7.778 -14.503 802 HZ PHE 129 HZ PHE 129 18.313 -9.797 -15.807 803 H SER 130 H SER 130 13.063 -8.481 -17.070 804 HA SER 130 HA SER 130 12.941 -7.510 -14.301 805 HB2 SER 130 1HB SER 130 10.747 -6.840 -15.160 806 HB3 SER 130 2HB SER 130 10.459 -8.463 -15.767 807 HG SER 130 HG SER 130 10.896 -7.727 -13.085 Start of MODEL 3 1 H GLU 13 1H GLU 13 -0.899 -0.604 0.973 2 HA GLU 13 HA GLU 13 1.271 -0.309 1.864 3 HB2 GLU 13 1HB GLU 13 1.087 -0.471 -1.171 4 HB3 GLU 13 2HB GLU 13 2.528 -0.870 -0.245 5 HG2 GLU 13 1HG GLU 13 1.291 -2.658 0.911 6 HG3 GLU 13 2HG GLU 13 -0.150 -2.261 -0.022 7 H SER 14 H SER 14 3.377 0.697 1.603 8 HA SER 14 HA SER 14 2.883 3.507 1.981 9 HB2 SER 14 1HB SER 14 5.218 3.633 2.604 10 HB3 SER 14 2HB SER 14 4.513 2.186 3.306 11 HG SER 14 HG SER 14 6.564 2.415 1.685 12 H TRP 15 H TRP 15 4.125 1.589 -0.663 13 HA TRP 15 HA TRP 15 5.626 3.622 -1.983 14 HB2 TRP 15 1HB TRP 15 5.572 2.175 -3.918 15 HB3 TRP 15 2HB TRP 15 5.756 1.171 -2.487 16 HD1 TRP 15 HD1 TRP 15 3.906 -0.630 -2.011 17 HE1 TRP 15 HE1 TRP 15 1.788 -1.416 -3.269 18 HE3 TRP 15 HE3 TRP 15 3.582 3.158 -5.453 19 HZ2 TRP 15 HZ2 TRP 15 0.205 -0.524 -5.430 20 HZ3 TRP 15 HZ3 TRP 15 1.743 3.131 -7.090 21 HH2 TRP 15 HH2 TRP 15 0.075 1.323 -7.083 22 H VAL 16 H VAL 16 2.230 3.109 -1.658 23 HA VAL 16 HA VAL 16 1.323 4.333 -4.068 24 HB VAL 16 HB VAL 16 0.040 4.168 -1.309 25 HG11 VAL 16 1HG1 VAL 16 -2.076 4.661 -2.435 26 HG12 VAL 16 2HG1 VAL 16 -0.925 6.014 -2.556 27 HG13 VAL 16 3HG1 VAL 16 -1.198 4.949 -3.956 28 HG21 VAL 16 1HG2 VAL 16 -1.246 2.325 -2.345 29 HG22 VAL 16 2HG2 VAL 16 -0.336 2.543 -3.859 30 HG23 VAL 16 3HG2 VAL 16 0.502 1.993 -2.387 31 H SER 17 H SER 17 2.510 5.646 -1.039 32 HA SER 17 HA SER 17 1.331 8.272 -1.423 33 HB2 SER 17 1HB SER 17 3.493 7.243 0.441 34 HB3 SER 17 2HB SER 17 2.878 8.888 0.476 35 HG SER 17 HG SER 17 1.139 8.240 1.363 36 H CYS 18 H CYS 18 3.923 6.684 -2.859 37 HA CYS 18 HA CYS 18 5.591 9.023 -3.321 38 HB2 CYS 18 1HB CYS 18 5.444 6.301 -4.666 39 HB3 CYS 18 2HB CYS 18 6.597 7.545 -5.127 40 H LEU 19 H LEU 19 2.646 7.815 -4.606 41 HA LEU 19 HA LEU 19 2.965 9.507 -7.043 42 HB2 LEU 19 1HB LEU 19 0.948 7.315 -6.438 43 HB3 LEU 19 2HB LEU 19 1.040 8.241 -7.939 44 HG LEU 19 HG LEU 19 3.177 6.343 -6.905 45 HD11 LEU 19 1HD1 LEU 19 2.451 4.918 -8.768 46 HD12 LEU 19 2HD1 LEU 19 1.138 5.193 -7.599 47 HD13 LEU 19 3HD1 LEU 19 1.152 6.074 -9.145 48 HD21 LEU 19 1HD2 LEU 19 4.180 6.700 -9.136 49 HD22 LEU 19 2HD2 LEU 19 2.906 7.882 -9.520 50 HD23 LEU 19 3HD2 LEU 19 4.079 8.227 -8.227 51 H ASP 20 H ASP 20 1.330 9.198 -4.022 52 HA ASP 20 HA ASP 20 -1.039 10.683 -4.632 53 HB2 ASP 20 1HB ASP 20 0.473 10.208 -2.040 54 HB3 ASP 20 2HB ASP 20 -1.027 11.123 -2.106 55 HA PRO 21 HA PRO 21 0.182 14.833 -4.938 56 HB2 PRO 21 1HB PRO 21 -1.982 15.435 -2.897 57 HB3 PRO 21 2HB PRO 21 -1.723 16.156 -4.491 58 HG2 PRO 21 1HG PRO 21 -3.664 14.353 -4.217 59 HG3 PRO 21 2HG PRO 21 -2.626 14.281 -5.644 60 HD2 PRO 21 1HD PRO 21 -2.488 12.627 -3.087 61 HD3 PRO 21 2HD PRO 21 -2.334 12.081 -4.806 62 H GLU 22 H GLU 22 1.432 16.377 -3.861 63 HA GLU 22 HA GLU 22 2.873 15.536 -1.572 64 HB2 GLU 22 1HB GLU 22 2.527 18.304 -2.788 65 HB3 GLU 22 2HB GLU 22 3.674 17.938 -1.507 66 HG2 GLU 22 1HG GLU 22 4.761 16.275 -3.009 67 HG3 GLU 22 2HG GLU 22 3.658 16.763 -4.294 68 H GLN 23 H GLN 23 2.646 15.776 0.560 69 HA GLN 23 HA GLN 23 0.198 16.938 1.632 70 HB2 GLN 23 1HB GLN 23 1.368 14.946 2.636 71 HB3 GLN 23 2HB GLN 23 2.690 16.003 3.109 72 HG2 GLN 23 1HG GLN 23 1.226 17.271 4.563 73 HG3 GLN 23 2HG GLN 23 -0.178 16.308 4.022 74 HE21 GLN 23 1HE2 GLN 23 0.267 13.852 6.415 75 HE22 GLN 23 2HE2 GLN 23 -0.757 14.675 5.285 76 H VAL 24 H VAL 24 -0.101 18.810 2.727 77 HA VAL 24 HA VAL 24 1.741 20.940 1.981 78 HB VAL 24 HB VAL 24 -0.836 20.951 3.609 79 HG11 VAL 24 1HG1 VAL 24 -0.823 23.379 3.307 80 HG12 VAL 24 2HG1 VAL 24 0.572 22.819 4.260 81 HG13 VAL 24 3HG1 VAL 24 0.786 23.276 2.553 82 HG21 VAL 24 1HG2 VAL 24 -1.792 21.925 1.545 83 HG22 VAL 24 2HG2 VAL 24 -0.211 21.770 0.741 84 HG23 VAL 24 3HG2 VAL 24 -1.105 20.313 1.237 85 H THR 25 H THR 25 3.209 21.962 3.185 86 HA THR 25 HA THR 25 3.803 20.848 5.836 87 HB THR 25 HB THR 25 5.838 22.220 5.736 88 HG1 THR 25 HG1 THR 25 6.009 23.860 4.380 89 HG21 THR 25 1HG2 THR 25 6.847 21.268 3.700 90 HG22 THR 25 2HG2 THR 25 5.825 20.067 4.525 91 HG23 THR 25 3HG2 THR 25 5.227 20.893 3.068 92 H CYS 26 H CYS 26 4.544 22.462 7.558 93 HA CYS 26 HA CYS 26 2.349 24.474 7.822 94 HB2 CYS 26 1HB CYS 26 3.653 22.915 10.082 95 HB3 CYS 26 2HB CYS 26 2.261 23.981 10.194 96 H GLU 27 H GLU 27 2.791 26.276 9.283 97 HA GLU 27 HA GLU 27 5.427 27.405 8.947 98 HB2 GLU 27 1HB GLU 27 3.064 28.205 10.688 99 HB3 GLU 27 2HB GLU 27 4.548 29.141 10.583 100 HG2 GLU 27 1HG GLU 27 4.190 29.484 8.188 101 HG3 GLU 27 2HG GLU 27 2.734 28.494 8.249 102 H SER 28 H SER 28 3.752 25.739 11.592 103 HA SER 28 HA SER 28 5.942 26.033 13.463 104 HB2 SER 28 1HB SER 28 3.703 25.592 14.274 105 HB3 SER 28 2HB SER 28 3.598 24.113 13.332 106 HG SER 28 HG SER 28 4.197 24.034 15.641 107 H GLN 29 H GLN 29 7.525 24.592 14.056 108 HA GLN 29 HA GLN 29 8.075 22.464 12.034 109 HB2 GLN 29 1HB GLN 29 9.990 23.992 13.843 110 HB3 GLN 29 2HB GLN 29 10.458 22.678 12.774 111 HG2 GLN 29 1HG GLN 29 9.728 23.988 10.829 112 HG3 GLN 29 2HG GLN 29 9.269 25.325 11.920 113 HE21 GLN 29 1HE2 GLN 29 12.530 26.329 10.714 114 HE22 GLN 29 2HE2 GLN 29 10.881 26.248 10.190 115 H GLU 30 H GLU 30 6.417 22.427 14.595 116 HA GLU 30 HA GLU 30 7.757 20.844 16.537 117 HB2 GLU 30 1HB GLU 30 5.575 21.940 16.934 118 HB3 GLU 30 2HB GLU 30 4.810 20.870 15.767 119 HG2 GLU 30 1HG GLU 30 5.327 18.934 17.182 120 HG3 GLU 30 2HG GLU 30 6.128 19.988 18.344 121 H GLY 31 H GLY 31 5.606 19.816 13.861 122 HA2 GLY 31 1HA GLY 31 6.549 17.023 14.206 123 HA3 GLY 31 2HA GLY 31 5.208 17.550 13.206 124 H THR 32 H THR 32 6.698 15.865 11.931 125 HA THR 32 HA THR 32 7.929 17.440 9.817 126 HB THR 32 HB THR 32 9.832 17.267 11.427 127 HG1 THR 32 HG1 THR 32 9.906 16.967 8.938 128 HG21 THR 32 1HG2 THR 32 10.857 15.061 11.817 129 HG22 THR 32 2HG2 THR 32 9.203 15.117 12.470 130 HG23 THR 32 3HG2 THR 32 9.525 14.281 10.933 131 H HIS 33 H HIS 33 8.402 16.225 7.928 132 HA HIS 33 HA HIS 33 7.903 13.357 7.850 133 HB2 HIS 33 1HB HIS 33 5.913 13.396 6.452 134 HB3 HIS 33 2HB HIS 33 5.571 14.172 7.992 135 HD1 HIS 33 HD1 HIS 33 5.363 16.818 7.982 136 HD2 HIS 33 HD2 HIS 33 5.618 15.121 4.132 137 HE1 HIS 33 HE1 HIS 33 4.557 18.530 6.436 138 H ALA 34 H ALA 34 8.435 12.404 5.894 139 HA ALA 34 HA ALA 34 9.909 14.199 4.050 140 HB1 ALA 34 1HB ALA 34 10.892 12.112 3.158 141 HB2 ALA 34 2HB ALA 34 11.134 12.256 4.916 142 HB3 ALA 34 3HB ALA 34 9.881 11.168 4.277 143 H SER 35 H SER 35 9.434 14.467 1.941 144 HA SER 35 HA SER 35 7.191 12.964 0.759 145 HB2 SER 35 1HB SER 35 6.057 14.738 2.016 146 HB3 SER 35 2HB SER 35 7.070 15.957 1.258 147 HG SER 35 HG SER 35 5.468 14.154 -0.181 148 H TYR 36 H TYR 36 7.200 12.933 -1.433 149 HA TYR 36 HA TYR 36 9.606 13.716 -2.785 150 HB2 TYR 36 1HB TYR 36 8.134 11.810 -3.477 151 HB3 TYR 36 2HB TYR 36 6.907 12.966 -3.979 152 HD1 TYR 36 HD1 TYR 36 10.337 11.739 -4.660 153 HD2 TYR 36 HD2 TYR 36 7.039 14.101 -6.058 154 HE1 TYR 36 HE1 TYR 36 11.388 11.887 -6.891 155 HE2 TYR 36 HE2 TYR 36 8.091 14.249 -8.289 156 HH TYR 36 HH TYR 36 10.111 13.979 -9.392 157 H ASN 37 H ASN 37 10.172 15.764 -2.979 158 HA ASN 37 HA ASN 37 8.142 17.826 -3.504 159 HB2 ASN 37 1HB ASN 37 10.054 18.230 -1.959 160 HB3 ASN 37 2HB ASN 37 11.163 18.058 -3.312 161 HD21 ASN 37 1HD2 ASN 37 10.631 21.645 -2.858 162 HD22 ASN 37 2HD2 ASN 37 11.337 20.327 -1.983 163 H ARG 38 H ARG 38 7.340 18.022 -5.455 164 HA ARG 38 HA ARG 38 8.712 16.920 -7.751 165 HB2 ARG 38 1HB ARG 38 6.182 18.576 -7.494 166 HB3 ARG 38 2HB ARG 38 6.762 17.911 -9.013 167 HG2 ARG 38 1HG ARG 38 6.467 15.657 -8.224 168 HG3 ARG 38 2HG ARG 38 6.082 16.236 -6.585 169 HD2 ARG 38 1HD ARG 38 4.495 16.911 -9.048 170 HD3 ARG 38 2HD ARG 38 4.117 15.580 -7.930 171 HE ARG 38 HE ARG 38 4.346 17.857 -6.355 172 HH11 ARG 38 1HH1 ARG 38 2.351 16.788 -9.042 173 HH12 ARG 38 2HH1 ARG 38 0.964 17.735 -8.553 174 HH21 ARG 38 1HH2 ARG 38 2.539 19.081 -5.730 175 HH22 ARG 38 2HH2 ARG 38 1.069 19.033 -6.678 176 H LYS 39 H LYS 39 8.782 19.952 -6.178 177 HA LYS 39 HA LYS 39 9.392 21.563 -8.516 178 HB2 LYS 39 1HB LYS 39 9.779 22.045 -5.538 179 HB3 LYS 39 2HB LYS 39 10.160 23.236 -6.773 180 HG2 LYS 39 1HG LYS 39 7.804 23.258 -7.495 181 HG3 LYS 39 2HG LYS 39 7.417 22.049 -6.263 182 HD2 LYS 39 1HD LYS 39 8.166 23.610 -4.494 183 HD3 LYS 39 2HD LYS 39 8.550 24.820 -5.727 184 HE2 LYS 39 1HE LYS 39 6.187 24.877 -6.426 185 HE3 LYS 39 2HE LYS 39 5.791 23.641 -5.229 186 HZ1 LYS 39 1HZ LYS 39 5.288 25.833 -4.433 187 HZ2 LYS 39 2HZ LYS 39 6.482 25.167 -3.510 188 HZ3 LYS 39 3HZ LYS 39 6.851 26.322 -4.628 189 H THR 40 H THR 40 11.174 19.435 -6.458 190 HA THR 40 HA THR 40 13.697 20.378 -7.757 191 HB THR 40 HB THR 40 14.918 19.514 -5.777 192 HG1 THR 40 HG1 THR 40 13.574 18.999 -3.911 193 HG21 THR 40 1HG2 THR 40 14.210 21.250 -4.179 194 HG22 THR 40 2HG2 THR 40 14.233 21.887 -5.840 195 HG23 THR 40 3HG2 THR 40 12.687 21.458 -5.073 196 H GLY 41 H GLY 41 11.511 17.779 -7.188 197 HA2 GLY 41 1HA GLY 41 11.394 15.789 -8.423 198 HA3 GLY 41 2HA GLY 41 12.940 16.163 -9.159 199 H GLN 42 H GLN 42 12.192 15.999 -5.682 200 HA GLN 42 HA GLN 42 13.451 13.391 -5.360 201 HB2 GLN 42 1HB GLN 42 15.351 14.145 -4.011 202 HB3 GLN 42 2HB GLN 42 15.457 14.812 -5.634 203 HG2 GLN 42 1HG GLN 42 14.607 16.960 -4.833 204 HG3 GLN 42 2HG GLN 42 14.466 16.287 -3.185 205 HE21 GLN 42 1HE2 GLN 42 17.586 17.996 -2.880 206 HE22 GLN 42 2HE2 GLN 42 15.872 18.213 -2.748 207 H CYS 43 H CYS 43 13.371 12.595 -3.203 208 HA CYS 43 HA CYS 43 11.150 13.685 -1.663 209 HB2 CYS 43 1HB CYS 43 11.506 11.254 -1.815 210 HB3 CYS 43 2HB CYS 43 13.086 11.415 -1.063 211 H GLU 44 H GLU 44 11.216 15.080 -0.044 212 HA GLU 44 HA GLU 44 13.856 15.586 1.260 213 HB2 GLU 44 1HB GLU 44 11.810 17.667 0.385 214 HB3 GLU 44 2HB GLU 44 13.246 18.005 1.342 215 HG2 GLU 44 1HG GLU 44 14.686 17.332 -0.492 216 HG3 GLU 44 2HG GLU 44 13.291 16.836 -1.448 217 H GLU 45 H GLU 45 13.858 16.028 3.418 218 HA GLU 45 HA GLU 45 11.407 15.305 4.867 219 HB2 GLU 45 1HB GLU 45 14.227 15.982 5.786 220 HB3 GLU 45 2HB GLU 45 12.915 15.598 6.891 221 HG2 GLU 45 1HG GLU 45 12.677 13.383 5.768 222 HG3 GLU 45 2HG GLU 45 14.080 13.776 4.776 223 H GLN 46 H GLN 46 9.892 16.801 5.067 224 HA GLN 46 HA GLN 46 10.741 19.627 5.459 225 HB2 GLN 46 1HB GLN 46 8.041 18.461 4.669 226 HB3 GLN 46 2HB GLN 46 8.384 20.175 4.857 227 HG2 GLN 46 1HG GLN 46 9.758 18.353 2.870 228 HG3 GLN 46 2HG GLN 46 8.380 19.432 2.511 229 HE21 GLN 46 1HE2 GLN 46 12.012 20.838 2.022 230 HE22 GLN 46 2HE2 GLN 46 11.506 19.184 1.929 231 H LYS 47 H LYS 47 9.368 20.967 6.894 232 HA LYS 47 HA LYS 47 8.755 19.431 9.375 233 HB2 LYS 47 1HB LYS 47 9.310 22.404 9.019 234 HB3 LYS 47 2HB LYS 47 9.024 21.588 10.550 235 HG2 LYS 47 1HG LYS 47 11.349 21.000 8.693 236 HG3 LYS 47 2HG LYS 47 11.415 22.056 10.111 237 HD2 LYS 47 1HD LYS 47 10.688 20.114 11.527 238 HD3 LYS 47 2HD LYS 47 10.784 19.082 10.093 239 HE2 LYS 47 1HE LYS 47 13.188 19.675 9.852 240 HE3 LYS 47 2HE LYS 47 13.082 20.655 11.316 241 HZ1 LYS 47 1HZ LYS 47 13.949 18.480 11.771 242 HZ2 LYS 47 2HZ LYS 47 12.498 18.670 12.532 243 HZ3 LYS 47 3HZ LYS 47 12.599 17.754 11.164 244 H GLY 48 H GLY 48 6.864 19.706 10.500 245 HA2 GLY 48 1HA GLY 48 4.887 21.451 10.569 246 HA3 GLY 48 2HA GLY 48 4.632 20.898 8.925 247 H THR 49 H THR 49 2.762 20.657 11.072 248 HA THR 49 HA THR 49 2.830 17.766 11.755 249 HB THR 49 HB THR 49 0.951 18.320 13.305 250 HG1 THR 49 HG1 THR 49 0.613 20.383 11.823 251 HG21 THR 49 1HG2 THR 49 2.278 19.655 14.894 252 HG22 THR 49 2HG2 THR 49 3.288 18.424 14.099 253 HG23 THR 49 3HG2 THR 49 3.385 20.123 13.584 254 H GLU 50 H GLU 50 2.375 18.352 9.060 255 HA GLU 50 HA GLU 50 1.029 17.469 7.416 256 HB2 GLU 50 1HB GLU 50 -0.495 16.220 9.739 257 HB3 GLU 50 2HB GLU 50 -0.630 15.750 8.050 258 HG2 GLU 50 1HG GLU 50 1.810 15.152 8.098 259 HG3 GLU 50 2HG GLU 50 1.793 15.459 9.833 260 H CYS 51 H CYS 51 0.525 20.002 7.716 261 HA CYS 51 HA CYS 51 -2.216 20.554 8.542 262 HB2 CYS 51 1HB CYS 51 -0.143 22.273 7.126 263 HB3 CYS 51 2HB CYS 51 -1.713 22.853 7.663 264 H GLY 52 H GLY 52 -2.818 18.713 6.903 265 HA2 GLY 52 1HA GLY 52 -4.414 18.461 5.192 266 HA3 GLY 52 2HA GLY 52 -4.157 20.127 4.709 267 H GLY 53 H GLY 53 -4.301 18.951 2.552 268 HA2 GLY 53 1HA GLY 53 -2.837 18.852 0.625 269 HA3 GLY 53 2HA GLY 53 -1.537 18.284 1.655 270 H GLY 54 H GLY 54 -1.262 16.575 0.068 271 HA2 GLY 54 1HA GLY 54 -3.388 14.523 -0.078 272 HA3 GLY 54 2HA GLY 54 -1.885 14.535 -0.982 273 H GLU 55 H GLU 55 -1.810 12.246 -0.323 274 HA GLU 55 HA GLU 55 -1.120 11.827 2.540 275 HB2 GLU 55 1HB GLU 55 -1.797 9.848 0.327 276 HB3 GLU 55 2HB GLU 55 -1.368 9.395 1.971 277 HG2 GLU 55 1HG GLU 55 -3.752 11.100 1.216 278 HG3 GLU 55 2HG GLU 55 -3.800 9.364 1.521 279 H ASN 56 H ASN 56 0.520 12.801 -0.004 280 HA ASN 56 HA ASN 56 2.723 10.908 -0.049 281 HB2 ASN 56 1HB ASN 56 2.132 12.508 -1.911 282 HB3 ASN 56 2HB ASN 56 2.726 13.819 -0.902 283 HD21 ASN 56 1HD2 ASN 56 5.276 12.014 -3.237 284 HD22 ASN 56 2HD2 ASN 56 3.564 12.160 -3.454 285 H HIS 57 H HIS 57 3.082 10.613 2.202 286 HA HIS 57 HA HIS 57 5.225 12.404 3.109 287 HB2 HIS 57 1HB HIS 57 4.269 12.861 5.302 288 HB3 HIS 57 2HB HIS 57 3.235 13.526 4.046 289 HD2 HIS 57 HD2 HIS 57 3.084 10.929 6.920 290 HE1 HIS 57 HE1 HIS 57 -0.682 10.902 4.924 291 HE2 HIS 57 HE2 HIS 57 0.621 10.086 6.959 292 H PHE 58 H PHE 58 6.629 11.472 4.544 293 HA PHE 58 HA PHE 58 6.026 8.670 5.352 294 HB2 PHE 58 1HB PHE 58 8.552 9.601 3.928 295 HB3 PHE 58 2HB PHE 58 8.346 8.020 4.667 296 HD1 PHE 58 HD1 PHE 58 7.311 10.211 1.903 297 HD2 PHE 58 HD2 PHE 58 6.998 6.317 3.632 298 HE1 PHE 58 HE1 PHE 58 6.328 9.359 -0.199 299 HE2 PHE 58 HE2 PHE 58 6.016 5.461 1.530 300 HZ PHE 58 HZ PHE 58 5.680 6.984 -0.385 301 H GLU 59 H GLU 59 7.599 7.821 6.944 302 HA GLU 59 HA GLU 59 7.786 9.619 9.148 303 HB2 GLU 59 1HB GLU 59 9.095 6.921 8.633 304 HB3 GLU 59 2HB GLU 59 9.211 7.776 10.165 305 HG2 GLU 59 1HG GLU 59 6.790 7.670 10.445 306 HG3 GLU 59 2HG GLU 59 6.621 6.895 8.871 307 H THR 60 H THR 60 10.152 8.563 6.732 308 HA THR 60 HA THR 60 11.873 10.828 7.371 309 HB THR 60 HB THR 60 12.532 9.159 9.134 310 HG1 THR 60 HG1 THR 60 14.016 10.674 7.836 311 HG21 THR 60 1HG2 THR 60 13.767 7.149 8.423 312 HG22 THR 60 2HG2 THR 60 12.089 7.106 7.833 313 HG23 THR 60 3HG2 THR 60 13.412 7.527 6.722 314 H LEU 61 H LEU 61 13.931 10.736 6.036 315 HA LEU 61 HA LEU 61 13.220 10.576 3.320 316 HB2 LEU 61 1HB LEU 61 15.111 11.900 4.163 317 HB3 LEU 61 2HB LEU 61 15.980 10.421 4.586 318 HG LEU 61 HG LEU 61 16.071 9.821 2.165 319 HD11 LEU 61 1HD1 LEU 61 15.485 11.535 0.509 320 HD12 LEU 61 2HD1 LEU 61 14.065 11.014 1.446 321 HD13 LEU 61 3HD1 LEU 61 14.847 12.572 1.807 322 HD21 LEU 61 1HD2 LEU 61 17.752 11.537 1.586 323 HD22 LEU 61 2HD2 LEU 61 17.147 12.575 2.899 324 HD23 LEU 61 3HD2 LEU 61 17.924 11.020 3.280 325 H LEU 62 H LEU 62 14.883 8.201 5.379 326 HA LEU 62 HA LEU 62 15.697 6.449 3.302 327 HB2 LEU 62 1HB LEU 62 15.024 5.924 6.215 328 HB3 LEU 62 2HB LEU 62 15.731 4.712 5.143 329 HG LEU 62 HG LEU 62 17.038 7.362 5.855 330 HD11 LEU 62 1HD1 LEU 62 18.514 5.995 7.262 331 HD12 LEU 62 2HD1 LEU 62 16.822 5.905 7.803 332 HD13 LEU 62 3HD1 LEU 62 17.537 4.556 6.889 333 HD21 LEU 62 1HD2 LEU 62 19.024 6.313 4.824 334 HD22 LEU 62 2HD2 LEU 62 18.055 4.876 4.416 335 HD23 LEU 62 3HD2 LEU 62 17.689 6.443 3.654 336 H LYS 63 H LYS 63 12.662 6.702 5.104 337 HA LYS 63 HA LYS 63 11.591 4.195 4.167 338 HB2 LYS 63 1HB LYS 63 10.804 5.390 6.223 339 HB3 LYS 63 2HB LYS 63 10.112 6.645 5.205 340 HG2 LYS 63 1HG LYS 63 8.585 5.006 4.191 341 HG3 LYS 63 2HG LYS 63 9.294 3.725 5.185 342 HD2 LYS 63 1HD LYS 63 8.615 4.982 7.233 343 HD3 LYS 63 2HD LYS 63 7.838 6.193 6.203 344 HE2 LYS 63 1HE LYS 63 6.373 4.418 5.257 345 HE3 LYS 63 2HE LYS 63 7.124 3.240 6.336 346 HZ1 LYS 63 1HZ LYS 63 5.074 4.071 7.228 347 HZ2 LYS 63 2HZ LYS 63 6.327 4.525 8.199 348 HZ3 LYS 63 3HZ LYS 63 5.625 5.625 7.191 349 H CYS 64 H CYS 64 11.267 7.567 3.083 350 HA CYS 64 HA CYS 64 9.281 6.970 1.084 351 HB2 CYS 64 1HB CYS 64 9.576 9.228 0.348 352 HB3 CYS 64 2HB CYS 64 9.716 9.244 2.100 353 H ASN 65 H ASN 65 12.788 6.933 1.157 354 HA ASN 65 HA ASN 65 13.142 6.778 -1.708 355 HB2 ASN 65 1HB ASN 65 14.897 6.068 0.654 356 HB3 ASN 65 2HB ASN 65 15.408 5.795 -1.007 357 HD21 ASN 65 1HD2 ASN 65 16.657 9.092 0.129 358 HD22 ASN 65 2HD2 ASN 65 16.810 7.455 0.673 359 H GLU 66 H GLU 66 13.071 4.320 0.883 360 HA GLU 66 HA GLU 66 13.401 2.100 -0.899 361 HB2 GLU 66 1HB GLU 66 12.230 2.310 1.900 362 HB3 GLU 66 2HB GLU 66 12.440 0.781 1.058 363 HG2 GLU 66 1HG GLU 66 14.856 1.152 0.939 364 HG3 GLU 66 2HG GLU 66 14.667 2.718 1.726 365 H SER 67 H SER 67 10.545 3.758 0.405 366 HA SER 67 HA SER 67 8.612 1.880 -0.517 367 HB2 SER 67 1HB SER 67 8.410 4.869 -0.030 368 HB3 SER 67 2HB SER 67 7.031 3.827 -0.346 369 HG SER 67 HG SER 67 8.815 3.815 1.808 370 H CYS 68 H CYS 68 9.976 4.805 -2.034 371 HA CYS 68 HA CYS 68 8.365 4.607 -4.412 372 HB2 CYS 68 1HB CYS 68 10.998 6.023 -3.856 373 HB3 CYS 68 2HB CYS 68 10.120 6.164 -5.372 374 H ASN 69 H ASN 69 11.563 3.398 -3.479 375 HA ASN 69 HA ASN 69 12.306 2.463 -6.091 376 HB2 ASN 69 1HB ASN 69 13.198 1.706 -3.297 377 HB3 ASN 69 2HB ASN 69 13.872 0.958 -4.739 378 HD21 ASN 69 1HD2 ASN 69 16.024 3.795 -3.731 379 HD22 ASN 69 2HD2 ASN 69 15.461 2.336 -2.986 380 H ASP 70 H ASP 70 10.321 1.126 -3.536 381 HA ASP 70 HA ASP 70 10.289 -1.518 -4.869 382 HB2 ASP 70 1HB ASP 70 9.095 -0.524 -2.253 383 HB3 ASP 70 2HB ASP 70 8.847 -2.148 -2.880 384 H ALA 71 H ALA 71 8.862 1.263 -5.537 385 HA ALA 71 HA ALA 71 6.075 0.476 -5.658 386 HB1 ALA 71 1HB ALA 71 5.810 2.512 -7.038 387 HB2 ALA 71 2HB ALA 71 6.728 2.840 -5.549 388 HB3 ALA 71 3HB ALA 71 7.579 2.688 -7.103 389 HA PRO 72 HA PRO 72 5.970 -1.980 -9.260 390 HB2 PRO 72 1HB PRO 72 3.444 -0.404 -9.857 391 HB3 PRO 72 2HB PRO 72 3.685 -2.156 -9.840 392 HG2 PRO 72 1HG PRO 72 2.451 -1.030 -7.766 393 HG3 PRO 72 2HG PRO 72 3.661 -2.280 -7.464 394 HD2 PRO 72 1HD PRO 72 3.949 0.748 -7.287 395 HD3 PRO 72 2HD PRO 72 4.549 -0.521 -6.145 396 H LYS 73 H LYS 73 5.560 1.520 -9.327 397 HA LYS 73 HA LYS 73 5.644 1.874 -12.168 398 HB2 LYS 73 1HB LYS 73 6.423 3.780 -9.924 399 HB3 LYS 73 2HB LYS 73 6.230 4.241 -11.610 400 HG2 LYS 73 1HG LYS 73 4.024 3.074 -9.887 401 HG3 LYS 73 2HG LYS 73 4.273 4.799 -10.193 402 HD2 LYS 73 1HD LYS 73 4.035 4.356 -12.646 403 HD3 LYS 73 2HD LYS 73 3.671 2.664 -12.273 404 HE2 LYS 73 1HE LYS 73 1.728 3.408 -10.904 405 HE3 LYS 73 2HE LYS 73 2.075 5.081 -11.348 406 HZ1 LYS 73 1HZ LYS 73 0.384 4.132 -12.737 407 HZ2 LYS 73 2HZ LYS 73 1.716 4.486 -13.644 408 HZ3 LYS 73 3HZ LYS 73 1.391 2.923 -13.230 409 HA PRO 74 HA PRO 74 9.795 1.147 -13.024 410 HB2 PRO 74 1HB PRO 74 10.093 2.490 -15.400 411 HB3 PRO 74 2HB PRO 74 9.096 1.037 -15.258 412 HG2 PRO 74 1HG PRO 74 8.234 3.961 -15.174 413 HG3 PRO 74 2HG PRO 74 7.538 2.644 -16.123 414 HD2 PRO 74 1HD PRO 74 6.432 3.411 -13.757 415 HD3 PRO 74 2HD PRO 74 6.452 1.675 -14.266 416 HA PRO 75 HA PRO 75 12.508 4.340 -11.679 417 HB2 PRO 75 1HB PRO 75 14.063 3.937 -14.260 418 HB3 PRO 75 2HB PRO 75 14.661 3.976 -12.596 419 HG2 PRO 75 1HG PRO 75 14.389 1.610 -13.791 420 HG3 PRO 75 2HG PRO 75 13.873 1.784 -12.111 421 HD2 PRO 75 1HD PRO 75 12.188 1.788 -14.646 422 HD3 PRO 75 2HD PRO 75 11.858 0.985 -13.058 423 H CYS 76 H CYS 76 11.285 4.389 -14.987 424 HA CYS 76 HA CYS 76 12.184 7.080 -15.584 425 HB2 CYS 76 1HB CYS 76 10.151 5.276 -16.950 426 HB3 CYS 76 2HB CYS 76 10.667 6.835 -17.578 427 H SER 77 H SER 77 9.781 5.911 -13.587 428 HA SER 77 HA SER 77 7.780 7.969 -14.155 429 HB2 SER 77 1HB SER 77 6.565 7.030 -12.311 430 HB3 SER 77 2HB SER 77 7.218 5.700 -13.256 431 HG SER 77 HG SER 77 8.846 5.474 -11.788 432 H LEU 78 H LEU 78 10.705 7.773 -12.403 433 HA LEU 78 HA LEU 78 9.904 10.070 -10.676 434 HB2 LEU 78 1HB LEU 78 12.265 8.173 -10.420 435 HB3 LEU 78 2HB LEU 78 11.872 9.487 -9.307 436 HG LEU 78 HG LEU 78 10.172 7.015 -9.795 437 HD11 LEU 78 1HD1 LEU 78 10.873 6.404 -7.524 438 HD12 LEU 78 2HD1 LEU 78 12.262 6.528 -8.629 439 HD13 LEU 78 3HD1 LEU 78 11.930 7.833 -7.465 440 HD21 LEU 78 1HD2 LEU 78 8.866 7.870 -7.878 441 HD22 LEU 78 2HD2 LEU 78 9.895 9.321 -7.823 442 HD23 LEU 78 3HD2 LEU 78 8.848 9.026 -9.232 443 H GLU 79 H GLU 79 11.409 11.807 -10.369 444 HA GLU 79 HA GLU 79 12.589 12.543 -12.963 445 HB2 GLU 79 1HB GLU 79 12.150 14.103 -10.387 446 HB3 GLU 79 2HB GLU 79 12.895 14.784 -11.826 447 HG2 GLU 79 1HG GLU 79 10.883 14.552 -13.089 448 HG3 GLU 79 2HG GLU 79 10.130 13.569 -11.835 449 H VAL 80 H VAL 80 14.648 13.966 -12.775 450 HA VAL 80 HA VAL 80 16.756 12.163 -12.103 451 HB VAL 80 HB VAL 80 16.814 15.152 -12.697 452 HG11 VAL 80 1HG1 VAL 80 19.192 14.841 -13.183 453 HG12 VAL 80 2HG1 VAL 80 18.810 14.500 -11.478 454 HG13 VAL 80 3HG1 VAL 80 19.087 13.158 -12.614 455 HG21 VAL 80 1HG2 VAL 80 17.507 14.397 -14.949 456 HG22 VAL 80 2HG2 VAL 80 17.343 12.703 -14.430 457 HG23 VAL 80 3HG2 VAL 80 15.906 13.750 -14.517 458 H ASP 81 H ASP 81 17.871 11.822 -10.302 459 HA ASP 81 HA ASP 81 18.073 13.974 -8.288 460 HB2 ASP 81 1HB ASP 81 16.066 12.679 -7.613 461 HB3 ASP 81 2HB ASP 81 17.014 11.198 -7.616 462 H TYR 82 H TYR 82 20.232 14.173 -8.507 463 HA TYR 82 HA TYR 82 21.866 11.692 -8.242 464 HB2 TYR 82 1HB TYR 82 23.730 13.155 -9.135 465 HB3 TYR 82 2HB TYR 82 22.419 12.847 -10.265 466 HD1 TYR 82 HD1 TYR 82 23.913 15.366 -8.004 467 HD2 TYR 82 HD2 TYR 82 21.055 14.604 -11.112 468 HE1 TYR 82 HE1 TYR 82 23.628 17.798 -8.339 469 HE2 TYR 82 HE2 TYR 82 20.770 17.036 -11.447 470 HH TYR 82 HH TYR 82 22.563 19.388 -9.469 471 H GLY 83 H GLY 83 20.529 13.531 -6.143 472 HA2 GLY 83 1HA GLY 83 21.064 13.769 -3.881 473 HA3 GLY 83 2HA GLY 83 22.666 13.134 -4.209 474 H VAL 84 H VAL 84 22.859 15.024 -2.500 475 HA VAL 84 HA VAL 84 23.768 17.391 -4.074 476 HB VAL 84 HB VAL 84 23.157 18.818 -2.099 477 HG11 VAL 84 1HG1 VAL 84 20.759 18.894 -2.574 478 HG12 VAL 84 2HG1 VAL 84 21.727 18.737 -4.059 479 HG13 VAL 84 3HG1 VAL 84 20.872 17.322 -3.399 480 HG21 VAL 84 1HG2 VAL 84 21.561 17.890 -0.452 481 HG22 VAL 84 2HG2 VAL 84 21.707 16.289 -1.213 482 HG23 VAL 84 3HG2 VAL 84 23.112 17.021 -0.403 483 H GLY 85 H GLY 85 25.489 15.357 -3.613 484 HA2 GLY 85 1HA GLY 85 26.831 15.815 -1.001 485 HA3 GLY 85 2HA GLY 85 27.089 14.450 -2.071 486 H ARG 86 H ARG 86 29.247 14.545 -2.458 487 HA ARG 86 HA ARG 86 30.324 17.034 -3.670 488 HB2 ARG 86 1HB ARG 86 31.505 15.619 -1.257 489 HB3 ARG 86 2HB ARG 86 32.349 16.839 -2.199 490 HG2 ARG 86 1HG ARG 86 29.734 17.324 -0.752 491 HG3 ARG 86 2HG ARG 86 31.348 17.695 -0.099 492 HD2 ARG 86 1HD ARG 86 31.754 19.175 -1.998 493 HD3 ARG 86 2HD ARG 86 30.115 18.831 -2.598 494 HE ARG 86 HE ARG 86 30.864 20.486 -0.301 495 HH11 ARG 86 1HH1 ARG 86 28.305 18.876 -2.091 496 HH12 ARG 86 2HH1 ARG 86 27.034 19.867 -1.411 497 HH21 ARG 86 1HH2 ARG 86 29.206 21.766 0.575 498 HH22 ARG 86 2HH2 ARG 86 27.543 21.503 0.098 499 H ALA 87 H ALA 87 30.018 13.694 -3.624 500 HA ALA 87 HA ALA 87 32.566 13.010 -4.820 501 HB1 ALA 87 1HB ALA 87 31.473 10.850 -5.330 502 HB2 ALA 87 2HB ALA 87 31.220 11.333 -3.636 503 HB3 ALA 87 3HB ALA 87 29.910 11.530 -4.823 504 H ASN 88 H ASN 88 32.731 12.025 -7.002 505 HA ASN 88 HA ASN 88 30.998 13.469 -8.959 506 HB2 ASN 88 1HB ASN 88 34.013 13.134 -9.100 507 HB3 ASN 88 2HB ASN 88 33.006 13.799 -10.379 508 HD21 ASN 88 1HD2 ASN 88 34.268 16.100 -7.342 509 HD22 ASN 88 2HD2 ASN 88 34.760 14.454 -7.565 510 H ILE 89 H ILE 89 29.907 11.328 -8.775 511 HA ILE 89 HA ILE 89 31.313 9.246 -10.374 512 HB ILE 89 HB ILE 89 28.829 9.054 -8.617 513 HG12 ILE 89 1HG1 ILE 89 31.567 7.843 -8.196 514 HG13 ILE 89 2HG1 ILE 89 31.049 9.356 -7.469 515 HG21 ILE 89 1HG2 ILE 89 28.992 6.632 -9.025 516 HG22 ILE 89 2HG2 ILE 89 28.717 7.519 -10.543 517 HG23 ILE 89 3HG2 ILE 89 30.342 6.909 -10.151 518 HD11 ILE 89 1HD1 ILE 89 30.798 7.505 -5.913 519 HD12 ILE 89 2HD1 ILE 89 29.210 8.194 -6.328 520 HD13 ILE 89 3HD1 ILE 89 29.735 6.661 -7.063 521 HA PRO 90 HA PRO 90 28.773 10.547 -13.704 522 HB2 PRO 90 1HB PRO 90 29.667 8.730 -15.566 523 HB3 PRO 90 2HB PRO 90 30.634 10.121 -15.058 524 HG2 PRO 90 1HG PRO 90 30.758 7.241 -14.064 525 HG3 PRO 90 2HG PRO 90 32.093 8.284 -14.564 526 HD2 PRO 90 1HD PRO 90 31.459 7.980 -11.937 527 HD3 PRO 90 2HD PRO 90 32.034 9.569 -12.585 528 H ARG 91 H ARG 91 26.744 9.948 -12.870 529 HA ARG 91 HA ARG 91 25.850 7.191 -13.600 530 HB2 ARG 91 1HB ARG 91 24.641 9.119 -11.587 531 HB3 ARG 91 2HB ARG 91 24.021 7.522 -11.974 532 HG2 ARG 91 1HG ARG 91 26.717 8.104 -10.723 533 HG3 ARG 91 2HG ARG 91 25.262 7.526 -9.875 534 HD2 ARG 91 1HD ARG 91 26.778 6.092 -12.043 535 HD3 ARG 91 2HD ARG 91 26.758 5.702 -10.308 536 HE ARG 91 HE ARG 91 24.100 5.706 -11.263 537 HH11 ARG 91 1HH1 ARG 91 27.074 3.865 -11.593 538 HH12 ARG 91 2HH1 ARG 91 26.252 2.359 -11.930 539 HH21 ARG 91 1HH2 ARG 91 23.044 3.745 -11.702 540 HH22 ARG 91 2HH2 ARG 91 23.970 2.289 -11.992 541 H TRP 92 H TRP 92 23.801 6.929 -14.574 542 HA TRP 92 HA TRP 92 23.064 9.280 -16.239 543 HB2 TRP 92 1HB TRP 92 22.612 6.294 -16.569 544 HB3 TRP 92 2HB TRP 92 21.814 7.488 -17.582 545 HD1 TRP 92 HD1 TRP 92 25.271 5.963 -16.895 546 HE1 TRP 92 HE1 TRP 92 26.860 6.555 -18.847 547 HE3 TRP 92 HE3 TRP 92 22.238 9.245 -19.412 548 HZ2 TRP 92 HZ2 TRP 92 26.807 8.198 -21.143 549 HZ3 TRP 92 HZ3 TRP 92 23.068 10.294 -21.479 550 HH2 TRP 92 HH2 TRP 92 25.315 9.781 -22.338 551 H TYR 93 H TYR 93 21.116 10.216 -16.182 552 HA TYR 93 HA TYR 93 18.970 8.866 -14.613 553 HB2 TYR 93 1HB TYR 93 19.745 11.806 -14.415 554 HB3 TYR 93 2HB TYR 93 18.341 11.073 -13.651 555 HD1 TYR 93 HD1 TYR 93 22.031 11.225 -13.663 556 HD2 TYR 93 HD2 TYR 93 18.529 9.777 -11.651 557 HE1 TYR 93 HE1 TYR 93 23.400 10.662 -11.683 558 HE2 TYR 93 HE2 TYR 93 19.898 9.214 -9.672 559 HH TYR 93 HH TYR 93 21.921 9.232 -8.769 560 H TYR 94 H TYR 94 16.929 9.064 -15.356 561 HA TYR 94 HA TYR 94 16.651 10.222 -18.059 562 HB2 TYR 94 1HB TYR 94 15.759 7.966 -17.665 563 HB3 TYR 94 2HB TYR 94 14.746 8.564 -16.358 564 HD1 TYR 94 HD1 TYR 94 15.404 9.148 -20.000 565 HD2 TYR 94 HD2 TYR 94 12.551 9.127 -16.795 566 HE1 TYR 94 HE1 TYR 94 13.587 9.601 -21.613 567 HE2 TYR 94 HE2 TYR 94 10.735 9.579 -18.408 568 HH TYR 94 HH TYR 94 11.403 9.901 -21.888 569 H ASP 95 H ASP 95 15.983 12.195 -18.399 570 HA ASP 95 HA ASP 95 14.600 13.675 -16.265 571 HB2 ASP 95 1HB ASP 95 16.378 14.761 -17.629 572 HB3 ASP 95 2HB ASP 95 15.402 14.537 -19.074 573 H THR 96 H THR 96 12.502 13.410 -15.991 574 HA THR 96 HA THR 96 10.873 12.265 -18.115 575 HB THR 96 HB THR 96 9.061 12.272 -16.464 576 HG1 THR 96 HG1 THR 96 9.579 14.336 -15.526 577 HG21 THR 96 1HG2 THR 96 10.135 10.948 -14.685 578 HG22 THR 96 2HG2 THR 96 10.778 10.505 -16.284 579 HG23 THR 96 3HG2 THR 96 11.730 11.543 -15.198 580 H ASN 97 H ASN 97 11.711 15.430 -17.152 581 HA ASN 97 HA ASN 97 9.176 16.613 -18.097 582 HB2 ASN 97 1HB ASN 97 11.700 17.849 -16.950 583 HB3 ASN 97 2HB ASN 97 10.291 18.770 -17.458 584 HD21 ASN 97 1HD2 ASN 97 10.394 17.638 -13.759 585 HD22 ASN 97 2HD2 ASN 97 11.712 18.042 -14.808 586 H ASN 98 H ASN 98 12.521 16.234 -19.125 587 HA ASN 98 HA ASN 98 11.803 17.610 -21.675 588 HB2 ASN 98 1HB ASN 98 14.491 16.969 -20.425 589 HB3 ASN 98 2HB ASN 98 14.302 17.560 -22.071 590 HD21 ASN 98 1HD2 ASN 98 14.373 20.111 -19.012 591 HD22 ASN 98 2HD2 ASN 98 14.792 18.434 -18.904 592 H ALA 99 H ALA 99 11.891 14.595 -20.331 593 HA ALA 99 HA ALA 99 11.836 12.483 -21.229 594 HB1 ALA 99 1HB ALA 99 10.945 12.274 -23.528 595 HB2 ALA 99 2HB ALA 99 10.020 13.453 -22.567 596 HB3 ALA 99 3HB ALA 99 11.197 14.018 -23.775 597 H THR 100 H THR 100 14.340 13.192 -20.830 598 HA THR 100 HA THR 100 15.739 11.845 -23.037 599 HB THR 100 HB THR 100 15.851 14.242 -23.700 600 HG1 THR 100 HG1 THR 100 18.440 14.027 -23.043 601 HG21 THR 100 1HG2 THR 100 17.148 15.811 -22.312 602 HG22 THR 100 2HG2 THR 100 15.709 15.231 -21.440 603 HG23 THR 100 3HG2 THR 100 17.313 14.567 -21.052 604 H CYS 101 H CYS 101 17.681 10.907 -22.458 605 HA CYS 101 HA CYS 101 18.104 10.796 -19.509 606 HB2 CYS 101 1HB CYS 101 17.541 8.648 -20.597 607 HB3 CYS 101 2HB CYS 101 18.909 8.828 -21.686 608 H GLU 102 H GLU 102 19.836 11.718 -18.673 609 HA GLU 102 HA GLU 102 22.201 12.152 -20.439 610 HB2 GLU 102 1HB GLU 102 20.898 14.226 -18.627 611 HB3 GLU 102 2HB GLU 102 22.435 14.437 -19.454 612 HG2 GLU 102 1HG GLU 102 21.294 14.225 -21.628 613 HG3 GLU 102 2HG GLU 102 19.754 14.021 -20.795 614 H MET 103 H MET 103 24.189 12.621 -19.293 615 HA MET 103 HA MET 103 24.365 11.070 -16.801 616 HB2 MET 103 1HB MET 103 26.069 10.794 -18.577 617 HB3 MET 103 2HB MET 103 26.505 12.490 -18.437 618 HG2 MET 103 1HG MET 103 27.260 12.111 -16.121 619 HG3 MET 103 2HG MET 103 26.816 10.407 -16.255 620 HE1 MET 103 1HE MET 103 29.402 8.923 -18.680 621 HE2 MET 103 2HE MET 103 28.183 8.599 -17.423 622 HE3 MET 103 3HE MET 103 27.698 9.353 -18.961 623 H PHE 104 H PHE 104 24.487 11.824 -14.813 624 HA PHE 104 HA PHE 104 25.024 14.744 -14.471 625 HB2 PHE 104 1HB PHE 104 23.029 13.006 -12.969 626 HB3 PHE 104 2HB PHE 104 23.481 14.632 -12.481 627 HD1 PHE 104 HD1 PHE 104 21.750 12.629 -15.039 628 HD2 PHE 104 HD2 PHE 104 22.656 16.562 -13.639 629 HE1 PHE 104 HE1 PHE 104 20.007 13.557 -16.525 630 HE2 PHE 104 HE2 PHE 104 20.911 17.494 -15.122 631 HZ PHE 104 HZ PHE 104 19.588 15.991 -16.567 632 H THR 105 H THR 105 25.902 15.357 -12.389 633 HA THR 105 HA THR 105 27.963 13.441 -11.570 634 HB THR 105 HB THR 105 27.395 16.277 -10.605 635 HG1 THR 105 HG1 THR 105 29.450 16.496 -11.938 636 HG21 THR 105 1HG2 THR 105 29.684 16.172 -9.701 637 HG22 THR 105 2HG2 THR 105 28.649 14.932 -8.955 638 HG23 THR 105 3HG2 THR 105 29.815 14.475 -10.217 639 H TYR 106 H TYR 106 27.477 11.885 -10.202 640 HA TYR 106 HA TYR 106 25.325 12.258 -8.238 641 HB2 TYR 106 1HB TYR 106 25.510 10.121 -9.448 642 HB3 TYR 106 2HB TYR 106 27.137 9.882 -8.826 643 HD1 TYR 106 HD1 TYR 106 23.842 10.841 -7.295 644 HD2 TYR 106 HD2 TYR 106 27.243 8.225 -7.250 645 HE1 TYR 106 HE1 TYR 106 22.917 9.672 -5.324 646 HE2 TYR 106 HE2 TYR 106 26.318 7.056 -5.279 647 HH TYR 106 HH TYR 106 23.168 7.969 -3.909 648 H GLY 107 H GLY 107 25.557 12.913 -6.228 649 HA2 GLY 107 1HA GLY 107 28.282 13.675 -5.411 650 HA3 GLY 107 2HA GLY 107 26.782 14.202 -4.672 651 H GLY 108 H GLY 108 26.058 11.134 -4.813 652 HA2 GLY 108 1HA GLY 108 26.787 9.149 -3.664 653 HA3 GLY 108 2HA GLY 108 27.857 10.121 -2.671 654 H ILE 109 H ILE 109 24.807 11.579 -3.091 655 HA ILE 109 HA ILE 109 24.073 10.786 -0.315 656 HB ILE 109 HB ILE 109 23.154 13.183 -1.961 657 HG12 ILE 109 1HG1 ILE 109 25.507 13.363 -1.425 658 HG13 ILE 109 2HG1 ILE 109 24.571 14.505 -0.473 659 HG21 ILE 109 1HG2 ILE 109 22.233 13.981 0.178 660 HG22 ILE 109 2HG2 ILE 109 21.489 12.438 -0.302 661 HG23 ILE 109 3HG2 ILE 109 22.737 12.467 0.965 662 HD11 ILE 109 1HD1 ILE 109 26.310 13.464 0.869 663 HD12 ILE 109 2HD1 ILE 109 24.697 13.008 1.471 664 HD13 ILE 109 3HD1 ILE 109 25.648 11.852 0.508 665 H THR 110 H THR 110 22.906 8.946 -0.532 666 HA THR 110 HA THR 110 21.114 7.597 -1.107 667 HB THR 110 HB THR 110 18.924 8.610 -0.761 668 HG1 THR 110 HG1 THR 110 20.091 10.743 -1.867 669 HG21 THR 110 1HG2 THR 110 19.302 9.740 1.396 670 HG22 THR 110 2HG2 THR 110 20.354 8.313 1.232 671 HG23 THR 110 3HG2 THR 110 21.023 9.944 0.992 672 H GLY 111 H GLY 111 18.744 9.158 -2.497 673 HA2 GLY 111 1HA GLY 111 18.953 9.933 -5.008 674 HA3 GLY 111 2HA GLY 111 19.631 8.329 -5.220 675 H ASN 112 H ASN 112 17.854 7.916 -6.680 676 HA ASN 112 HA ASN 112 15.565 6.772 -5.208 677 HB2 ASN 112 1HB ASN 112 13.905 7.777 -6.701 678 HB3 ASN 112 2HB ASN 112 14.772 9.013 -5.798 679 HD21 ASN 112 1HD2 ASN 112 14.681 10.408 -9.101 680 HD22 ASN 112 2HD2 ASN 112 13.691 10.184 -7.697 681 H LYS 113 H LYS 113 13.995 5.864 -7.129 682 HA LYS 113 HA LYS 113 15.461 3.611 -8.074 683 HB2 LYS 113 1HB LYS 113 12.956 3.755 -7.612 684 HB3 LYS 113 2HB LYS 113 12.792 4.593 -9.149 685 HG2 LYS 113 1HG LYS 113 13.578 2.660 -10.367 686 HG3 LYS 113 2HG LYS 113 13.986 1.822 -8.863 687 HD2 LYS 113 1HD LYS 113 11.576 1.899 -8.206 688 HD3 LYS 113 2HD LYS 113 11.202 2.645 -9.767 689 HE2 LYS 113 1HE LYS 113 12.052 0.671 -10.948 690 HE3 LYS 113 2HE LYS 113 12.526 -0.070 -9.417 691 HZ1 LYS 113 1HZ LYS 113 10.434 -0.911 -10.193 692 HZ2 LYS 113 2HZ LYS 113 10.213 -0.092 -8.778 693 HZ3 LYS 113 3HZ LYS 113 9.770 0.598 -10.209 694 H ASN 114 H ASN 114 14.689 6.702 -9.544 695 HA ASN 114 HA ASN 114 15.440 5.948 -12.227 696 HB2 ASN 114 1HB ASN 114 14.042 7.932 -11.677 697 HB3 ASN 114 2HB ASN 114 15.439 8.690 -10.924 698 HD21 ASN 114 1HD2 ASN 114 14.971 9.783 -14.497 699 HD22 ASN 114 2HD2 ASN 114 13.887 9.643 -13.153 700 H ASN 115 H ASN 115 17.349 4.764 -12.006 701 HA ASN 115 HA ASN 115 19.726 6.467 -12.128 702 HB2 ASN 115 1HB ASN 115 19.464 5.995 -9.684 703 HB3 ASN 115 2HB ASN 115 19.575 4.275 -10.034 704 HD21 ASN 115 1HD2 ASN 115 22.914 5.472 -9.024 705 HD22 ASN 115 2HD2 ASN 115 21.336 5.406 -8.313 706 H PHE 116 H PHE 116 20.744 5.838 -13.870 707 HA PHE 116 HA PHE 116 20.389 2.984 -14.694 708 HB2 PHE 116 1HB PHE 116 20.532 5.464 -16.455 709 HB3 PHE 116 2HB PHE 116 20.413 3.811 -17.036 710 HD1 PHE 116 HD1 PHE 116 18.627 6.605 -15.514 711 HD2 PHE 116 HD2 PHE 116 18.341 2.534 -16.778 712 HE1 PHE 116 HE1 PHE 116 16.161 6.748 -15.410 713 HE2 PHE 116 HE2 PHE 116 15.875 2.673 -16.677 714 HZ PHE 116 HZ PHE 116 14.785 4.781 -15.991 715 H GLU 117 H GLU 117 22.052 2.034 -15.970 716 HA GLU 117 HA GLU 117 24.736 3.059 -15.330 717 HB2 GLU 117 1HB GLU 117 23.822 0.564 -16.818 718 HB3 GLU 117 2HB GLU 117 25.498 0.952 -16.454 719 HG2 GLU 117 1HG GLU 117 23.365 0.613 -14.339 720 HG3 GLU 117 2HG GLU 117 24.391 -0.697 -14.919 721 H SER 118 H SER 118 22.487 3.099 -17.957 722 HA SER 118 HA SER 118 24.356 4.671 -19.573 723 HB2 SER 118 1HB SER 118 24.351 3.241 -21.502 724 HB3 SER 118 2HB SER 118 24.921 2.299 -20.133 725 HG SER 118 HG SER 118 23.328 1.047 -20.368 726 H GLU 119 H GLU 119 23.336 5.497 -21.563 727 HA GLU 119 HA GLU 119 20.623 6.352 -21.034 728 HB2 GLU 119 1HB GLU 119 20.811 7.596 -23.102 729 HB3 GLU 119 2HB GLU 119 22.325 7.750 -22.223 730 HG2 GLU 119 1HG GLU 119 22.016 5.635 -24.335 731 HG3 GLU 119 2HG GLU 119 22.334 7.310 -24.784 732 H GLU 120 H GLU 120 22.030 3.654 -22.647 733 HA GLU 120 HA GLU 120 19.761 3.054 -24.347 734 HB2 GLU 120 1HB GLU 120 22.048 1.339 -23.305 735 HB3 GLU 120 2HB GLU 120 20.829 0.755 -24.429 736 HG2 GLU 120 1HG GLU 120 22.767 3.027 -24.921 737 HG3 GLU 120 2HG GLU 120 22.879 1.394 -25.574 738 H GLU 121 H GLU 121 20.753 2.170 -21.059 739 HA GLU 121 HA GLU 121 18.542 0.420 -20.535 740 HB2 GLU 121 1HB GLU 121 20.282 2.128 -18.721 741 HB3 GLU 121 2HB GLU 121 19.024 1.065 -18.106 742 HG2 GLU 121 1HG GLU 121 20.168 -0.856 -19.208 743 HG3 GLU 121 2HG GLU 121 21.462 0.237 -19.693 744 H CYS 122 H CYS 122 18.987 3.933 -20.207 745 HA CYS 122 HA CYS 122 16.479 4.578 -19.091 746 HB2 CYS 122 1HB CYS 122 18.210 6.059 -21.100 747 HB3 CYS 122 2HB CYS 122 16.746 6.748 -20.413 748 H LYS 123 H LYS 123 17.404 4.162 -22.519 749 HA LYS 123 HA LYS 123 14.892 4.828 -23.639 750 HB2 LYS 123 1HB LYS 123 17.084 2.958 -24.608 751 HB3 LYS 123 2HB LYS 123 15.670 3.358 -25.574 752 HG2 LYS 123 1HG LYS 123 16.294 5.707 -25.609 753 HG3 LYS 123 2HG LYS 123 17.645 5.397 -24.510 754 HD2 LYS 123 1HD LYS 123 18.622 3.847 -26.219 755 HD3 LYS 123 2HD LYS 123 17.313 4.291 -27.323 756 HE2 LYS 123 1HE LYS 123 18.033 6.631 -27.291 757 HE3 LYS 123 2HE LYS 123 19.283 6.259 -26.101 758 HZ1 LYS 123 1HZ LYS 123 20.172 6.364 -28.311 759 HZ2 LYS 123 2HZ LYS 123 20.321 4.829 -27.725 760 HZ3 LYS 123 3HZ LYS 123 19.154 5.178 -28.837 761 H GLU 124 H GLU 124 16.189 1.574 -22.857 762 HA GLU 124 HA GLU 124 13.789 0.309 -23.861 763 HB2 GLU 124 1HB GLU 124 16.132 -0.776 -22.249 764 HB3 GLU 124 2HB GLU 124 14.841 -1.775 -22.899 765 HG2 GLU 124 1HG GLU 124 16.812 -0.116 -24.483 766 HG3 GLU 124 2HG GLU 124 16.788 -1.871 -24.324 767 H THR 125 H THR 125 14.996 1.217 -20.671 768 HA THR 125 HA THR 125 13.032 -0.199 -19.145 769 HB THR 125 HB THR 125 14.552 2.362 -18.488 770 HG1 THR 125 HG1 THR 125 15.990 0.697 -18.702 771 HG21 THR 125 1HG2 THR 125 14.010 1.820 -16.146 772 HG22 THR 125 2HG2 THR 125 12.529 2.096 -17.094 773 HG23 THR 125 3HG2 THR 125 13.030 0.438 -16.687 774 H CYS 126 H CYS 126 13.103 3.104 -20.480 775 HA CYS 126 HA CYS 126 10.550 3.870 -19.418 776 HB2 CYS 126 1HB CYS 126 12.141 4.892 -21.799 777 HB3 CYS 126 2HB CYS 126 10.646 5.630 -21.243 778 H LYS 127 H LYS 127 11.570 2.255 -22.399 779 HA LYS 127 HA LYS 127 9.011 2.166 -23.659 780 HB2 LYS 127 1HB LYS 127 11.395 0.283 -23.758 781 HB3 LYS 127 2HB LYS 127 9.956 0.051 -24.741 782 HG2 LYS 127 1HG LYS 127 10.319 2.214 -25.834 783 HG3 LYS 127 2HG LYS 127 11.731 2.509 -24.810 784 HD2 LYS 127 1HD LYS 127 12.759 0.401 -25.735 785 HD3 LYS 127 2HD LYS 127 11.394 0.288 -26.857 786 HE2 LYS 127 1HE LYS 127 11.974 2.478 -27.814 787 HE3 LYS 127 2HE LYS 127 13.306 2.645 -26.666 788 HZ1 LYS 127 1HZ LYS 127 14.064 1.869 -28.790 789 HZ2 LYS 127 2HZ LYS 127 14.320 0.706 -27.650 790 HZ3 LYS 127 3HZ LYS 127 13.077 0.550 -28.722 791 H GLY 128 H GLY 128 10.534 0.086 -21.218 792 HA2 GLY 128 1HA GLY 128 8.886 -0.744 -19.499 793 HA3 GLY 128 2HA GLY 128 7.865 -1.228 -20.840 794 H PHE 129 H PHE 129 11.394 -1.528 -20.778 795 HA PHE 129 HA PHE 129 11.065 -4.496 -20.619 796 HB2 PHE 129 1HB PHE 129 13.086 -2.907 -22.251 797 HB3 PHE 129 2HB PHE 129 13.074 -4.656 -22.090 798 HD1 PHE 129 HD1 PHE 129 11.653 -1.795 -23.773 799 HD2 PHE 129 HD2 PHE 129 11.152 -5.969 -23.012 800 HE1 PHE 129 HE1 PHE 129 10.111 -1.959 -25.698 801 HE2 PHE 129 HE2 PHE 129 9.611 -6.138 -24.938 802 HZ PHE 129 HZ PHE 129 9.089 -4.131 -26.280 803 H SER 130 H SER 130 12.598 -5.676 -19.498 804 HA SER 130 HA SER 130 14.902 -4.408 -18.277 805 HB2 SER 130 1HB SER 130 13.162 -3.494 -16.815 806 HB3 SER 130 2HB SER 130 12.522 -5.104 -16.526 807 HG SER 130 HG SER 130 14.947 -3.975 -15.730 Start of MODEL 4 1 H GLU 13 1H GLU 13 2.037 -2.340 0.975 2 HA GLU 13 HA GLU 13 3.358 -1.093 -0.539 3 HB2 GLU 13 1HB GLU 13 0.378 -0.461 -0.568 4 HB3 GLU 13 2HB GLU 13 1.462 -0.221 -1.932 5 HG2 GLU 13 1HG GLU 13 1.940 -2.640 -1.975 6 HG3 GLU 13 2HG GLU 13 0.841 -2.875 -0.617 7 H SER 14 H SER 14 4.543 0.376 0.954 8 HA SER 14 HA SER 14 3.382 2.915 1.674 9 HB2 SER 14 1HB SER 14 5.612 3.506 2.398 10 HB3 SER 14 2HB SER 14 5.273 1.852 2.883 11 HG SER 14 HG SER 14 7.260 2.721 1.486 12 H TRP 15 H TRP 15 4.839 1.676 -1.201 13 HA TRP 15 HA TRP 15 5.829 4.102 -2.323 14 HB2 TRP 15 1HB TRP 15 5.644 2.930 -4.494 15 HB3 TRP 15 2HB TRP 15 6.392 1.915 -3.269 16 HD1 TRP 15 HD1 TRP 15 5.215 -0.357 -2.678 17 HE1 TRP 15 HE1 TRP 15 3.145 -1.607 -3.594 18 HE3 TRP 15 HE3 TRP 15 3.183 3.430 -5.477 19 HZ2 TRP 15 HZ2 TRP 15 0.951 -1.036 -5.277 20 HZ3 TRP 15 HZ3 TRP 15 1.097 3.012 -6.718 21 HH2 TRP 15 HH2 TRP 15 -0.008 0.817 -6.621 22 H VAL 16 H VAL 16 2.623 2.985 -1.754 23 HA VAL 16 HA VAL 16 1.233 4.418 -3.790 24 HB VAL 16 HB VAL 16 0.408 3.635 -0.964 25 HG11 VAL 16 1HG1 VAL 16 -1.897 4.029 -1.683 26 HG12 VAL 16 2HG1 VAL 16 -0.930 5.522 -1.699 27 HG13 VAL 16 3HG1 VAL 16 -1.303 4.687 -3.226 28 HG21 VAL 16 1HG2 VAL 16 -0.819 1.843 -2.148 29 HG22 VAL 16 2HG2 VAL 16 -0.185 2.436 -3.701 30 HG23 VAL 16 3HG2 VAL 16 0.925 1.759 -2.486 31 H SER 17 H SER 17 2.444 5.367 -0.595 32 HA SER 17 HA SER 17 1.059 7.836 -0.379 33 HB2 SER 17 1HB SER 17 3.752 6.961 0.711 34 HB3 SER 17 2HB SER 17 2.952 8.456 1.169 35 HG SER 17 HG SER 17 1.608 7.409 2.322 36 H CYS 18 H CYS 18 4.056 6.962 -2.034 37 HA CYS 18 HA CYS 18 5.021 9.588 -2.523 38 HB2 CYS 18 1HB CYS 18 5.326 7.016 -4.115 39 HB3 CYS 18 2HB CYS 18 6.180 8.502 -4.507 40 H LEU 19 H LEU 19 2.416 7.773 -3.953 41 HA LEU 19 HA LEU 19 2.278 9.681 -6.233 42 HB2 LEU 19 1HB LEU 19 0.843 7.041 -5.779 43 HB3 LEU 19 2HB LEU 19 0.700 8.051 -7.220 44 HG LEU 19 HG LEU 19 3.231 6.650 -6.287 45 HD11 LEU 19 1HD1 LEU 19 2.856 5.227 -8.251 46 HD12 LEU 19 2HD1 LEU 19 1.517 5.105 -7.086 47 HD13 LEU 19 3HD1 LEU 19 1.321 6.069 -8.569 48 HD21 LEU 19 1HD2 LEU 19 4.117 7.386 -8.473 49 HD22 LEU 19 2HD2 LEU 19 2.600 8.259 -8.795 50 HD23 LEU 19 3HD2 LEU 19 3.662 8.780 -7.465 51 H ASP 20 H ASP 20 1.226 9.623 -3.192 52 HA ASP 20 HA ASP 20 -1.586 10.345 -3.751 53 HB2 ASP 20 1HB ASP 20 0.016 9.994 -1.196 54 HB3 ASP 20 2HB ASP 20 -1.604 10.677 -1.197 55 HA PRO 21 HA PRO 21 -1.295 14.696 -3.699 56 HB2 PRO 21 1HB PRO 21 -3.042 14.610 -1.207 57 HB3 PRO 21 2HB PRO 21 -3.227 15.605 -2.657 58 HG2 PRO 21 1HG PRO 21 -4.782 13.466 -2.405 59 HG3 PRO 21 2HG PRO 21 -4.034 13.788 -3.972 60 HD2 PRO 21 1HD PRO 21 -3.194 11.812 -1.815 61 HD3 PRO 21 2HD PRO 21 -3.247 11.588 -3.610 62 H GLU 22 H GLU 22 0.170 16.109 -2.872 63 HA GLU 22 HA GLU 22 2.068 15.192 -0.988 64 HB2 GLU 22 1HB GLU 22 1.464 17.979 -2.041 65 HB3 GLU 22 2HB GLU 22 2.822 17.637 -0.979 66 HG2 GLU 22 1HG GLU 22 3.817 17.553 -3.040 67 HG3 GLU 22 2HG GLU 22 3.460 15.850 -2.761 68 H GLN 23 H GLN 23 2.406 15.468 1.151 69 HA GLN 23 HA GLN 23 0.304 16.385 2.878 70 HB2 GLN 23 1HB GLN 23 1.901 14.821 3.757 71 HB3 GLN 23 2HB GLN 23 3.259 15.847 3.320 72 HG2 GLN 23 1HG GLN 23 2.945 15.977 5.677 73 HG3 GLN 23 2HG GLN 23 2.441 17.538 4.971 74 HE21 GLN 23 1HE2 GLN 23 -0.607 17.445 6.599 75 HE22 GLN 23 2HE2 GLN 23 0.754 18.345 6.014 76 H VAL 24 H VAL 24 -0.236 18.322 3.599 77 HA VAL 24 HA VAL 24 0.982 20.637 2.362 78 HB VAL 24 HB VAL 24 -1.128 20.393 4.548 79 HG11 VAL 24 1HG1 VAL 24 -1.668 22.727 4.050 80 HG12 VAL 24 2HG1 VAL 24 -0.015 22.546 4.684 81 HG13 VAL 24 3HG1 VAL 24 -0.278 22.812 2.943 82 HG21 VAL 24 1HG2 VAL 24 -2.690 20.912 2.701 83 HG22 VAL 24 2HG2 VAL 24 -1.327 20.935 1.557 84 HG23 VAL 24 3HG2 VAL 24 -1.779 19.420 2.373 85 H THR 25 H THR 25 2.521 21.949 3.082 86 HA THR 25 HA THR 25 4.027 21.435 5.435 87 HB THR 25 HB THR 25 3.778 24.052 3.889 88 HG1 THR 25 HG1 THR 25 5.011 21.632 3.371 89 HG21 THR 25 1HG2 THR 25 6.013 24.518 4.814 90 HG22 THR 25 2HG2 THR 25 4.816 24.317 6.116 91 HG23 THR 25 3HG2 THR 25 5.951 23.000 5.740 92 H CYS 26 H CYS 26 3.899 22.056 7.493 93 HA CYS 26 HA CYS 26 1.458 23.621 8.214 94 HB2 CYS 26 1HB CYS 26 1.456 21.203 8.889 95 HB3 CYS 26 2HB CYS 26 2.889 21.501 9.863 96 H GLU 27 H GLU 27 1.582 25.262 9.662 97 HA GLU 27 HA GLU 27 4.216 26.443 10.023 98 HB2 GLU 27 1HB GLU 27 1.467 27.291 11.022 99 HB3 GLU 27 2HB GLU 27 2.930 28.249 11.203 100 HG2 GLU 27 1HG GLU 27 3.154 28.374 8.754 101 HG3 GLU 27 2HG GLU 27 1.685 27.416 8.574 102 H SER 28 H SER 28 5.053 24.558 11.252 103 HA SER 28 HA SER 28 4.858 25.145 14.124 104 HB2 SER 28 1HB SER 28 3.042 23.542 13.846 105 HB3 SER 28 2HB SER 28 4.099 22.438 12.980 106 HG SER 28 HG SER 28 3.669 22.450 15.470 107 H GLN 29 H GLN 29 6.623 24.480 15.303 108 HA GLN 29 HA GLN 29 8.873 23.407 13.667 109 HB2 GLN 29 1HB GLN 29 8.948 24.911 16.314 110 HB3 GLN 29 2HB GLN 29 10.349 24.376 15.397 111 HG2 GLN 29 1HG GLN 29 8.294 26.387 14.453 112 HG3 GLN 29 2HG GLN 29 9.921 26.754 15.093 113 HE21 GLN 29 1HE2 GLN 29 9.493 26.295 11.210 114 HE22 GLN 29 2HE2 GLN 29 8.275 26.781 12.342 115 H GLU 30 H GLU 30 6.604 21.964 15.144 116 HA GLU 30 HA GLU 30 7.786 20.630 17.394 117 HB2 GLU 30 1HB GLU 30 5.338 20.746 17.004 118 HB3 GLU 30 2HB GLU 30 5.512 19.742 15.572 119 HG2 GLU 30 1HG GLU 30 4.716 18.396 17.384 120 HG3 GLU 30 2HG GLU 30 6.357 17.896 16.981 121 H GLY 31 H GLY 31 7.670 19.927 13.928 122 HA2 GLY 31 1HA GLY 31 10.034 18.326 13.993 123 HA3 GLY 31 2HA GLY 31 8.646 17.254 14.018 124 H THR 32 H THR 32 10.020 16.815 11.900 125 HA THR 32 HA THR 32 8.732 18.387 9.710 126 HB THR 32 HB THR 32 10.757 18.221 8.374 127 HG1 THR 32 HG1 THR 32 12.517 17.082 9.060 128 HG21 THR 32 1HG2 THR 32 12.304 19.583 9.723 129 HG22 THR 32 2HG2 THR 32 10.622 20.116 9.954 130 HG23 THR 32 3HG2 THR 32 11.422 19.131 11.200 131 H HIS 33 H HIS 33 9.124 17.124 7.536 132 HA HIS 33 HA HIS 33 9.009 14.198 7.855 133 HB2 HIS 33 1HB HIS 33 6.825 13.939 6.806 134 HB3 HIS 33 2HB HIS 33 6.670 14.848 8.302 135 HD1 HIS 33 HD1 HIS 33 6.023 17.361 8.136 136 HD2 HIS 33 HD2 HIS 33 6.213 15.479 4.369 137 HE1 HIS 33 HE1 HIS 33 4.873 18.852 6.578 138 H ALA 34 H ALA 34 9.019 13.056 5.837 139 HA ALA 34 HA ALA 34 10.054 14.741 3.608 140 HB1 ALA 34 1HB ALA 34 11.023 12.642 2.727 141 HB2 ALA 34 2HB ALA 34 11.594 12.990 4.376 142 HB3 ALA 34 3HB ALA 34 10.341 11.756 4.110 143 H SER 35 H SER 35 9.208 14.657 1.579 144 HA SER 35 HA SER 35 6.830 12.969 1.113 145 HB2 SER 35 1HB SER 35 5.901 14.922 2.247 146 HB3 SER 35 2HB SER 35 6.743 16.003 1.148 147 HG SER 35 HG SER 35 5.026 14.013 0.200 148 H TYR 36 H TYR 36 6.395 12.588 -1.006 149 HA TYR 36 HA TYR 36 8.501 13.369 -2.895 150 HB2 TYR 36 1HB TYR 36 7.616 11.043 -2.836 151 HB3 TYR 36 2HB TYR 36 6.025 11.640 -3.289 152 HD1 TYR 36 HD1 TYR 36 9.522 11.233 -4.442 153 HD2 TYR 36 HD2 TYR 36 5.477 12.148 -5.541 154 HE1 TYR 36 HE1 TYR 36 10.124 11.030 -6.831 155 HE2 TYR 36 HE2 TYR 36 6.079 11.945 -7.930 156 HH TYR 36 HH TYR 36 9.415 11.233 -8.931 157 H ASN 37 H ASN 37 8.436 15.295 -3.786 158 HA ASN 37 HA ASN 37 5.853 16.623 -4.251 159 HB2 ASN 37 1HB ASN 37 7.832 17.853 -3.355 160 HB3 ASN 37 2HB ASN 37 8.671 17.566 -4.874 161 HD21 ASN 37 1HD2 ASN 37 6.913 20.914 -4.754 162 HD22 ASN 37 2HD2 ASN 37 7.903 20.078 -3.605 163 H ARG 38 H ARG 38 4.692 16.104 -5.951 164 HA ARG 38 HA ARG 38 5.890 14.598 -8.110 165 HB2 ARG 38 1HB ARG 38 3.092 15.715 -7.739 166 HB3 ARG 38 2HB ARG 38 3.568 14.671 -9.069 167 HG2 ARG 38 1HG ARG 38 4.002 12.838 -7.575 168 HG3 ARG 38 2HG ARG 38 3.768 13.883 -6.153 169 HD2 ARG 38 1HD ARG 38 1.677 13.247 -8.221 170 HD3 ARG 38 2HD ARG 38 1.831 12.478 -6.625 171 HE ARG 38 HE ARG 38 1.719 15.211 -6.145 172 HH11 ARG 38 1HH1 ARG 38 -0.336 12.785 -7.639 173 HH12 ARG 38 2HH1 ARG 38 -1.823 13.606 -7.220 174 HH21 ARG 38 1HH2 ARG 38 -0.218 16.267 -5.607 175 HH22 ARG 38 2HH2 ARG 38 -1.757 15.577 -6.069 176 H LYS 39 H LYS 39 5.360 17.935 -7.529 177 HA LYS 39 HA LYS 39 5.143 18.720 -10.326 178 HB2 LYS 39 1HB LYS 39 5.704 20.301 -7.788 179 HB3 LYS 39 2HB LYS 39 5.553 21.034 -9.379 180 HG2 LYS 39 1HG LYS 39 3.238 20.205 -9.552 181 HG3 LYS 39 2HG LYS 39 3.388 19.460 -7.954 182 HD2 LYS 39 1HD LYS 39 3.815 21.682 -6.954 183 HD3 LYS 39 2HD LYS 39 3.671 22.429 -8.552 184 HE2 LYS 39 1HE LYS 39 1.340 21.646 -8.722 185 HE3 LYS 39 2HE LYS 39 1.477 20.860 -7.148 186 HZ1 LYS 39 1HZ LYS 39 0.423 22.993 -6.980 187 HZ2 LYS 39 2HZ LYS 39 1.859 23.017 -6.169 188 HZ3 LYS 39 3HZ LYS 39 1.730 23.752 -7.640 189 H THR 40 H THR 40 7.697 17.821 -8.235 190 HA THR 40 HA THR 40 9.671 19.070 -10.101 191 HB THR 40 HB THR 40 11.318 18.903 -8.256 192 HG1 THR 40 HG1 THR 40 9.196 17.530 -7.076 193 HG21 THR 40 1HG2 THR 40 10.354 20.638 -6.796 194 HG22 THR 40 2HG2 THR 40 9.988 20.970 -8.505 195 HG23 THR 40 3HG2 THR 40 8.735 20.289 -7.443 196 H GLY 41 H GLY 41 8.534 16.127 -8.598 197 HA2 GLY 41 1HA GLY 41 8.874 13.941 -9.414 198 HA3 GLY 41 2HA GLY 41 10.106 14.540 -10.509 199 H GLN 42 H GLN 42 9.984 15.190 -7.026 200 HA GLN 42 HA GLN 42 11.972 13.142 -6.402 201 HB2 GLN 42 1HB GLN 42 13.748 14.654 -5.713 202 HB3 GLN 42 2HB GLN 42 13.381 14.931 -7.410 203 HG2 GLN 42 1HG GLN 42 12.211 16.950 -6.924 204 HG3 GLN 42 2HG GLN 42 12.261 16.621 -5.169 205 HE21 GLN 42 1HE2 GLN 42 15.365 18.420 -7.090 206 HE22 GLN 42 2HE2 GLN 42 13.944 17.887 -7.927 207 H CYS 43 H CYS 43 12.578 13.137 -4.117 208 HA CYS 43 HA CYS 43 10.263 14.024 -2.493 209 HB2 CYS 43 1HB CYS 43 10.972 11.646 -2.369 210 HB3 CYS 43 2HB CYS 43 12.559 12.148 -1.804 211 H GLU 44 H GLU 44 10.378 15.429 -0.828 212 HA GLU 44 HA GLU 44 13.050 16.558 -0.157 213 HB2 GLU 44 1HB GLU 44 12.190 18.840 -0.326 214 HB3 GLU 44 2HB GLU 44 12.029 18.024 -1.875 215 HG2 GLU 44 1HG GLU 44 9.633 17.587 -1.349 216 HG3 GLU 44 2HG GLU 44 9.824 18.515 0.137 217 H GLU 45 H GLU 45 13.046 17.870 1.808 218 HA GLU 45 HA GLU 45 11.170 16.694 3.785 219 HB2 GLU 45 1HB GLU 45 13.614 16.519 4.216 220 HB3 GLU 45 2HB GLU 45 13.743 18.272 4.196 221 HG2 GLU 45 1HG GLU 45 12.272 18.415 6.155 222 HG3 GLU 45 2HG GLU 45 12.110 16.660 6.169 223 H GLN 46 H GLN 46 9.588 17.795 4.694 224 HA GLN 46 HA GLN 46 9.711 20.778 4.560 225 HB2 GLN 46 1HB GLN 46 7.264 18.996 4.225 226 HB3 GLN 46 2HB GLN 46 7.217 20.748 4.356 227 HG2 GLN 46 1HG GLN 46 8.558 20.938 2.299 228 HG3 GLN 46 2HG GLN 46 8.558 19.157 2.160 229 HE21 GLN 46 1HE2 GLN 46 5.895 20.040 -0.083 230 HE22 GLN 46 2HE2 GLN 46 7.621 19.917 -0.002 231 H LYS 47 H LYS 47 8.850 21.937 6.281 232 HA LYS 47 HA LYS 47 8.801 20.509 8.835 233 HB2 LYS 47 1HB LYS 47 8.359 23.431 8.110 234 HB3 LYS 47 2HB LYS 47 8.328 22.816 9.756 235 HG2 LYS 47 1HG LYS 47 10.685 22.015 9.443 236 HG3 LYS 47 2HG LYS 47 10.691 22.806 7.860 237 HD2 LYS 47 1HD LYS 47 10.254 24.979 8.906 238 HD3 LYS 47 2HD LYS 47 10.133 24.214 10.497 239 HE2 LYS 47 1HE LYS 47 12.500 23.434 10.255 240 HE3 LYS 47 2HE LYS 47 12.604 24.315 8.728 241 HZ1 LYS 47 1HZ LYS 47 13.481 25.590 10.544 242 HZ2 LYS 47 2HZ LYS 47 12.145 26.340 9.932 243 HZ3 LYS 47 3HZ LYS 47 12.049 25.517 11.358 244 H GLY 48 H GLY 48 7.110 20.009 10.090 245 HA2 GLY 48 1HA GLY 48 4.731 20.978 10.608 246 HA3 GLY 48 2HA GLY 48 4.393 20.504 8.954 247 H THR 49 H THR 49 3.042 19.500 11.246 248 HA THR 49 HA THR 49 3.854 16.629 11.095 249 HB THR 49 HB THR 49 3.035 16.362 13.448 250 HG1 THR 49 HG1 THR 49 1.805 18.460 13.264 251 HG21 THR 49 1HG2 THR 49 4.984 17.411 14.529 252 HG22 THR 49 2HG2 THR 49 5.444 16.658 12.984 253 HG23 THR 49 3HG2 THR 49 5.245 18.423 13.090 254 H GLU 50 H GLU 50 2.302 16.746 9.271 255 HA GLU 50 HA GLU 50 0.251 16.153 8.408 256 HB2 GLU 50 1HB GLU 50 -0.148 15.070 11.226 257 HB3 GLU 50 2HB GLU 50 -1.172 14.687 9.850 258 HG2 GLU 50 1HG GLU 50 0.816 13.716 8.697 259 HG3 GLU 50 2HG GLU 50 1.760 14.011 10.156 260 H CYS 51 H CYS 51 -0.045 18.577 8.411 261 HA CYS 51 HA CYS 51 -2.518 19.187 9.976 262 HB2 CYS 51 1HB CYS 51 -0.540 21.151 8.754 263 HB3 CYS 51 2HB CYS 51 -1.981 21.570 9.669 264 H GLY 52 H GLY 52 -3.131 17.677 7.960 265 HA2 GLY 52 1HA GLY 52 -4.868 17.903 6.325 266 HA3 GLY 52 2HA GLY 52 -4.368 19.556 6.022 267 H GLY 53 H GLY 53 -4.854 17.762 3.949 268 HA2 GLY 53 1HA GLY 53 -3.493 17.731 1.884 269 HA3 GLY 53 2HA GLY 53 -2.099 17.312 2.862 270 H GLY 54 H GLY 54 -1.897 15.517 1.317 271 HA2 GLY 54 1HA GLY 54 -3.892 13.341 1.598 272 HA3 GLY 54 2HA GLY 54 -2.566 13.392 0.452 273 H GLU 55 H GLU 55 -2.138 11.185 1.156 274 HA GLU 55 HA GLU 55 -0.962 10.926 3.864 275 HB2 GLU 55 1HB GLU 55 -1.499 8.853 1.698 276 HB3 GLU 55 2HB GLU 55 -0.821 8.497 3.280 277 HG2 GLU 55 1HG GLU 55 -3.558 9.691 2.783 278 HG3 GLU 55 2HG GLU 55 -3.224 7.992 3.112 279 H ASN 56 H ASN 56 0.150 12.250 1.223 280 HA ASN 56 HA ASN 56 2.548 10.657 0.724 281 HB2 ASN 56 1HB ASN 56 1.435 12.001 -1.050 282 HB3 ASN 56 2HB ASN 56 1.848 13.471 -0.177 283 HD21 ASN 56 1HD2 ASN 56 4.358 12.626 -2.862 284 HD22 ASN 56 2HD2 ASN 56 2.627 12.673 -2.844 285 H HIS 57 H HIS 57 3.180 10.603 3.018 286 HA HIS 57 HA HIS 57 5.441 12.434 3.243 287 HB2 HIS 57 1HB HIS 57 4.916 13.249 5.503 288 HB3 HIS 57 2HB HIS 57 3.751 13.832 4.323 289 HD2 HIS 57 HD2 HIS 57 3.810 11.931 7.644 290 HE1 HIS 57 HE1 HIS 57 -0.126 11.538 6.057 291 HE2 HIS 57 HE2 HIS 57 1.355 11.200 8.105 292 H PHE 58 H PHE 58 6.976 11.796 4.829 293 HA PHE 58 HA PHE 58 6.599 8.990 5.754 294 HB2 PHE 58 1HB PHE 58 8.965 9.994 4.120 295 HB3 PHE 58 2HB PHE 58 8.831 8.400 4.845 296 HD1 PHE 58 HD1 PHE 58 7.660 10.599 2.162 297 HD2 PHE 58 HD2 PHE 58 7.341 6.719 3.922 298 HE1 PHE 58 HE1 PHE 58 6.535 9.768 0.124 299 HE2 PHE 58 HE2 PHE 58 6.217 5.884 1.884 300 HZ PHE 58 HZ PHE 58 5.813 7.411 -0.015 301 H GLU 59 H GLU 59 8.289 8.264 7.247 302 HA GLU 59 HA GLU 59 8.592 10.147 9.362 303 HB2 GLU 59 1HB GLU 59 9.944 7.472 8.842 304 HB3 GLU 59 2HB GLU 59 10.149 8.385 10.329 305 HG2 GLU 59 1HG GLU 59 7.810 8.181 10.861 306 HG3 GLU 59 2HG GLU 59 7.465 7.461 9.290 307 H THR 60 H THR 60 10.816 9.053 6.826 308 HA THR 60 HA THR 60 12.408 11.482 7.229 309 HB THR 60 HB THR 60 13.412 9.819 8.844 310 HG1 THR 60 HG1 THR 60 15.143 10.926 8.378 311 HG21 THR 60 1HG2 THR 60 14.713 7.953 7.897 312 HG22 THR 60 2HG2 THR 60 12.983 7.776 7.522 313 HG23 THR 60 3HG2 THR 60 14.109 8.351 6.272 314 H LEU 61 H LEU 61 14.476 11.223 5.682 315 HA LEU 61 HA LEU 61 13.244 11.252 3.082 316 HB2 LEU 61 1HB LEU 61 15.098 12.754 3.741 317 HB3 LEU 61 2HB LEU 61 16.182 11.364 3.859 318 HG LEU 61 HG LEU 61 15.929 10.968 1.427 319 HD11 LEU 61 1HD1 LEU 61 14.794 12.650 0.046 320 HD12 LEU 61 2HD1 LEU 61 13.667 11.851 1.169 321 HD13 LEU 61 3HD1 LEU 61 14.256 13.495 1.517 322 HD21 LEU 61 1HD2 LEU 61 17.194 12.967 0.710 323 HD22 LEU 61 2HD2 LEU 61 16.690 13.818 2.190 324 HD23 LEU 61 3HD2 LEU 61 17.752 12.393 2.300 325 H LEU 62 H LEU 62 15.533 9.050 4.694 326 HA LEU 62 HA LEU 62 16.054 7.304 2.561 327 HB2 LEU 62 1HB LEU 62 17.198 7.122 4.699 328 HB3 LEU 62 2HB LEU 62 15.689 6.710 5.518 329 HG LEU 62 HG LEU 62 15.600 4.584 4.214 330 HD11 LEU 62 1HD1 LEU 62 17.600 3.882 2.976 331 HD12 LEU 62 2HD1 LEU 62 16.859 5.332 2.260 332 HD13 LEU 62 3HD1 LEU 62 18.331 5.480 3.250 333 HD21 LEU 62 1HD2 LEU 62 17.444 3.499 5.452 334 HD22 LEU 62 2HD2 LEU 62 18.174 5.093 5.761 335 HD23 LEU 62 3HD2 LEU 62 16.596 4.684 6.475 336 H LYS 63 H LYS 63 13.420 7.081 4.978 337 HA LYS 63 HA LYS 63 12.163 4.801 3.854 338 HB2 LYS 63 1HB LYS 63 11.661 5.732 6.112 339 HB3 LYS 63 2HB LYS 63 10.875 7.113 5.360 340 HG2 LYS 63 1HG LYS 63 9.152 5.684 4.413 341 HG3 LYS 63 2HG LYS 63 9.979 4.239 5.010 342 HD2 LYS 63 1HD LYS 63 9.684 5.044 7.340 343 HD3 LYS 63 2HD LYS 63 8.828 6.468 6.729 344 HE2 LYS 63 1HE LYS 63 7.077 5.051 5.774 345 HE3 LYS 63 2HE LYS 63 7.951 3.595 6.258 346 HZ1 LYS 63 1HZ LYS 63 6.209 4.132 7.797 347 HZ2 LYS 63 2HZ LYS 63 7.673 4.260 8.547 348 HZ3 LYS 63 3HZ LYS 63 6.856 5.619 8.094 349 H CYS 64 H CYS 64 11.755 8.260 3.163 350 HA CYS 64 HA CYS 64 9.539 8.000 1.397 351 HB2 CYS 64 1HB CYS 64 10.324 10.164 2.324 352 HB3 CYS 64 2HB CYS 64 11.788 10.051 1.357 353 H ASN 65 H ASN 65 13.054 8.134 0.718 354 HA ASN 65 HA ASN 65 12.712 7.933 -2.127 355 HB2 ASN 65 1HB ASN 65 15.076 7.497 -0.286 356 HB3 ASN 65 2HB ASN 65 15.194 7.284 -2.028 357 HD21 ASN 65 1HD2 ASN 65 16.262 10.711 -1.293 358 HD22 ASN 65 2HD2 ASN 65 16.795 9.102 -0.936 359 H GLU 66 H GLU 66 13.300 5.535 0.415 360 HA GLU 66 HA GLU 66 13.693 3.333 -1.393 361 HB2 GLU 66 1HB GLU 66 12.885 3.475 1.534 362 HB3 GLU 66 2HB GLU 66 13.120 1.954 0.685 363 HG2 GLU 66 1HG GLU 66 15.228 4.101 1.014 364 HG3 GLU 66 2HG GLU 66 15.074 2.660 2.017 365 H SER 67 H SER 67 10.850 4.742 0.175 366 HA SER 67 HA SER 67 9.010 2.698 -0.663 367 HB2 SER 67 1HB SER 67 8.598 5.619 0.050 368 HB3 SER 67 2HB SER 67 7.289 4.484 -0.242 369 HG SER 67 HG SER 67 9.197 4.533 1.791 370 H CYS 68 H CYS 68 9.945 5.851 -2.052 371 HA CYS 68 HA CYS 68 8.111 5.723 -4.246 372 HB2 CYS 68 1HB CYS 68 10.728 7.239 -3.916 373 HB3 CYS 68 2HB CYS 68 9.624 7.466 -5.265 374 H ASN 69 H ASN 69 11.281 4.358 -3.690 375 HA ASN 69 HA ASN 69 11.988 3.830 -6.407 376 HB2 ASN 69 1HB ASN 69 13.523 3.671 -4.427 377 HB3 ASN 69 2HB ASN 69 12.698 2.192 -3.952 378 HD21 ASN 69 1HD2 ASN 69 14.630 0.188 -5.982 379 HD22 ASN 69 2HD2 ASN 69 13.602 0.378 -4.601 380 H ASP 70 H ASP 70 9.653 2.386 -4.307 381 HA ASP 70 HA ASP 70 9.545 -0.066 -5.978 382 HB2 ASP 70 1HB ASP 70 8.222 0.655 -3.333 383 HB3 ASP 70 2HB ASP 70 7.926 -0.847 -4.199 384 H ALA 71 H ALA 71 8.378 2.913 -6.275 385 HA ALA 71 HA ALA 71 5.560 2.366 -6.705 386 HB1 ALA 71 1HB ALA 71 5.518 4.636 -7.687 387 HB2 ALA 71 2HB ALA 71 6.336 4.616 -6.106 388 HB3 ALA 71 3HB ALA 71 7.294 4.696 -7.603 389 HA PRO 72 HA PRO 72 5.755 0.794 -10.735 390 HB2 PRO 72 1HB PRO 72 3.279 1.465 -11.710 391 HB3 PRO 72 2HB PRO 72 3.493 0.256 -10.437 392 HG2 PRO 72 1HG PRO 72 2.777 3.207 -10.169 393 HG3 PRO 72 2HG PRO 72 2.001 1.819 -9.400 394 HD2 PRO 72 1HD PRO 72 3.865 3.310 -8.083 395 HD3 PRO 72 2HD PRO 72 3.735 1.522 -7.831 396 H LYS 73 H LYS 73 5.427 4.153 -10.088 397 HA LYS 73 HA LYS 73 5.183 5.298 -12.646 398 HB2 LYS 73 1HB LYS 73 5.184 6.557 -10.483 399 HB3 LYS 73 2HB LYS 73 6.917 6.292 -10.349 400 HG2 LYS 73 1HG LYS 73 7.325 7.610 -12.352 401 HG3 LYS 73 2HG LYS 73 5.585 7.790 -12.624 402 HD2 LYS 73 1HD LYS 73 5.383 8.974 -10.447 403 HD3 LYS 73 2HD LYS 73 7.132 8.826 -10.219 404 HE2 LYS 73 1HE LYS 73 7.542 10.161 -12.230 405 HE3 LYS 73 2HE LYS 73 5.810 10.244 -12.561 406 HZ1 LYS 73 1HZ LYS 73 6.599 12.223 -11.490 407 HZ2 LYS 73 2HZ LYS 73 5.533 11.444 -10.502 408 HZ3 LYS 73 3HZ LYS 73 7.151 11.368 -10.193 409 HA PRO 74 HA PRO 74 8.612 3.732 -14.834 410 HB2 PRO 74 1HB PRO 74 8.209 6.368 -16.311 411 HB3 PRO 74 2HB PRO 74 8.467 4.752 -16.980 412 HG2 PRO 74 1HG PRO 74 5.989 5.711 -16.949 413 HG3 PRO 74 2HG PRO 74 6.253 4.033 -16.469 414 HD2 PRO 74 1HD PRO 74 5.806 6.481 -14.723 415 HD3 PRO 74 2HD PRO 74 5.154 4.805 -14.528 416 HA PRO 75 HA PRO 75 11.919 5.739 -12.719 417 HB2 PRO 75 1HB PRO 75 13.472 4.632 -15.096 418 HB3 PRO 75 2HB PRO 75 13.878 4.560 -13.377 419 HG2 PRO 75 1HG PRO 75 12.846 2.389 -14.511 420 HG3 PRO 75 2HG PRO 75 12.255 2.876 -12.919 421 HD2 PRO 75 1HD PRO 75 10.981 3.292 -15.648 422 HD3 PRO 75 2HD PRO 75 10.201 2.834 -14.081 423 H CYS 76 H CYS 76 11.388 6.062 -16.213 424 HA CYS 76 HA CYS 76 13.251 8.268 -16.530 425 HB2 CYS 76 1HB CYS 76 11.085 7.154 -18.352 426 HB3 CYS 76 2HB CYS 76 12.183 8.447 -18.812 427 H SER 77 H SER 77 10.201 8.036 -15.171 428 HA SER 77 HA SER 77 9.410 10.783 -15.960 429 HB2 SER 77 1HB SER 77 8.017 8.683 -14.264 430 HB3 SER 77 2HB SER 77 7.360 10.272 -14.627 431 HG SER 77 HG SER 77 7.531 9.742 -16.828 432 H LEU 78 H LEU 78 11.463 9.441 -13.787 433 HA LEU 78 HA LEU 78 10.781 11.396 -11.641 434 HB2 LEU 78 1HB LEU 78 12.390 8.835 -11.675 435 HB3 LEU 78 2HB LEU 78 12.564 10.012 -10.370 436 HG LEU 78 HG LEU 78 9.941 9.752 -10.186 437 HD11 LEU 78 1HD1 LEU 78 9.203 7.485 -10.767 438 HD12 LEU 78 2HD1 LEU 78 9.700 8.404 -12.208 439 HD13 LEU 78 3HD1 LEU 78 10.780 7.165 -11.525 440 HD21 LEU 78 1HD2 LEU 78 10.320 7.927 -8.564 441 HD22 LEU 78 2HD2 LEU 78 11.915 7.613 -9.290 442 HD23 LEU 78 3HD2 LEU 78 11.605 9.155 -8.458 443 H GLU 79 H GLU 79 12.411 12.701 -10.719 444 HA GLU 79 HA GLU 79 14.135 13.807 -12.781 445 HB2 GLU 79 1HB GLU 79 12.903 15.197 -11.093 446 HB3 GLU 79 2HB GLU 79 13.932 14.535 -9.831 447 HG2 GLU 79 1HG GLU 79 15.903 15.526 -10.874 448 HG3 GLU 79 2HG GLU 79 14.920 16.130 -12.205 449 H VAL 80 H VAL 80 16.362 13.986 -12.808 450 HA VAL 80 HA VAL 80 17.883 11.765 -11.986 451 HB VAL 80 HB VAL 80 18.766 14.626 -12.555 452 HG11 VAL 80 1HG1 VAL 80 20.998 13.694 -12.927 453 HG12 VAL 80 2HG1 VAL 80 20.459 13.482 -11.244 454 HG13 VAL 80 3HG1 VAL 80 20.425 12.104 -12.370 455 HG21 VAL 80 1HG2 VAL 80 19.341 13.694 -14.774 456 HG22 VAL 80 2HG2 VAL 80 18.711 12.108 -14.269 457 HG23 VAL 80 3HG2 VAL 80 17.608 13.496 -14.422 458 H ASP 81 H ASP 81 18.773 11.130 -10.143 459 HA ASP 81 HA ASP 81 19.458 13.136 -8.085 460 HB2 ASP 81 1HB ASP 81 17.119 12.427 -7.567 461 HB3 ASP 81 2HB ASP 81 17.655 10.755 -7.485 462 H TYR 82 H TYR 82 21.598 12.710 -8.235 463 HA TYR 82 HA TYR 82 22.463 9.882 -7.892 464 HB2 TYR 82 1HB TYR 82 24.734 10.806 -8.527 465 HB3 TYR 82 2HB TYR 82 23.513 10.901 -9.788 466 HD1 TYR 82 HD1 TYR 82 25.464 12.829 -7.323 467 HD2 TYR 82 HD2 TYR 82 22.691 13.008 -10.593 468 HE1 TYR 82 HE1 TYR 82 25.880 15.255 -7.545 469 HE2 TYR 82 HE2 TYR 82 23.108 15.434 -10.814 470 HH TYR 82 HH TYR 82 25.367 17.118 -8.642 471 H GLY 83 H GLY 83 21.472 11.990 -5.836 472 HA2 GLY 83 1HA GLY 83 21.803 11.932 -3.512 473 HA3 GLY 83 2HA GLY 83 23.261 10.986 -3.749 474 H VAL 84 H VAL 84 23.471 12.846 -1.883 475 HA VAL 84 HA VAL 84 25.192 14.898 -3.202 476 HB VAL 84 HB VAL 84 24.580 16.463 -1.336 477 HG11 VAL 84 1HG1 VAL 84 22.393 17.090 -2.237 478 HG12 VAL 84 2HG1 VAL 84 23.552 16.683 -3.524 479 HG13 VAL 84 3HG1 VAL 84 22.285 15.520 -3.066 480 HG21 VAL 84 1HG2 VAL 84 22.539 15.966 -0.030 481 HG22 VAL 84 2HG2 VAL 84 22.444 14.360 -0.792 482 HG23 VAL 84 3HG2 VAL 84 23.809 14.759 0.278 483 H GLY 85 H GLY 85 26.259 12.510 -2.475 484 HA2 GLY 85 1HA GLY 85 27.166 12.708 0.351 485 HA3 GLY 85 2HA GLY 85 27.250 11.279 -0.662 486 H ARG 86 H ARG 86 29.351 10.759 -0.848 487 HA ARG 86 HA ARG 86 31.276 12.879 -1.633 488 HB2 ARG 86 1HB ARG 86 31.578 11.067 0.786 489 HB3 ARG 86 2HB ARG 86 32.880 12.028 0.102 490 HG2 ARG 86 1HG ARG 86 30.300 13.191 1.177 491 HG3 ARG 86 2HG ARG 86 31.816 13.041 2.098 492 HD2 ARG 86 1HD ARG 86 32.942 14.424 0.432 493 HD3 ARG 86 2HD ARG 86 31.401 14.605 -0.438 494 HE ARG 86 HE ARG 86 32.178 15.856 2.093 495 HH11 ARG 86 1HH1 ARG 86 29.621 15.159 -0.212 496 HH12 ARG 86 2HH1 ARG 86 28.584 16.448 0.358 497 HH21 ARG 86 1HH2 ARG 86 30.824 17.525 2.825 498 HH22 ARG 86 2HH2 ARG 86 29.264 17.787 2.077 499 H ALA 87 H ALA 87 30.023 9.806 -2.001 500 HA ALA 87 HA ALA 87 32.445 8.418 -2.774 501 HB1 ALA 87 1HB ALA 87 30.894 6.721 -3.688 502 HB2 ALA 87 2HB ALA 87 30.453 7.192 -2.029 503 HB3 ALA 87 3HB ALA 87 29.531 7.829 -3.410 504 H ASN 88 H ASN 88 32.778 7.531 -4.970 505 HA ASN 88 HA ASN 88 31.925 9.464 -7.077 506 HB2 ASN 88 1HB ASN 88 34.732 8.387 -6.648 507 HB3 ASN 88 2HB ASN 88 34.210 9.318 -8.045 508 HD21 ASN 88 1HD2 ASN 88 35.304 11.145 -4.643 509 HD22 ASN 88 2HD2 ASN 88 35.427 9.435 -4.895 510 H ILE 89 H ILE 89 30.334 7.710 -7.363 511 HA ILE 89 HA ILE 89 31.519 5.488 -8.972 512 HB ILE 89 HB ILE 89 28.882 5.553 -7.443 513 HG12 ILE 89 1HG1 ILE 89 31.362 3.902 -6.921 514 HG13 ILE 89 2HG1 ILE 89 30.965 5.382 -6.063 515 HG21 ILE 89 1HG2 ILE 89 28.710 3.184 -8.094 516 HG22 ILE 89 2HG2 ILE 89 28.733 4.240 -9.525 517 HG23 ILE 89 3HG2 ILE 89 30.195 3.339 -9.062 518 HD11 ILE 89 1HD1 ILE 89 30.309 3.423 -4.782 519 HD12 ILE 89 2HD1 ILE 89 28.877 4.370 -5.255 520 HD13 ILE 89 3HD1 ILE 89 29.280 2.869 -6.123 521 HA PRO 90 HA PRO 90 29.605 7.821 -12.270 522 HB2 PRO 90 1HB PRO 90 30.765 5.437 -13.748 523 HB3 PRO 90 2HB PRO 90 30.860 7.155 -14.157 524 HG2 PRO 90 1HG PRO 90 33.001 5.994 -13.085 525 HG3 PRO 90 2HG PRO 90 32.530 7.600 -12.521 526 HD2 PRO 90 1HD PRO 90 32.002 4.886 -11.236 527 HD3 PRO 90 2HD PRO 90 32.561 6.423 -10.461 528 H ARG 91 H ARG 91 27.471 7.604 -12.566 529 HA ARG 91 HA ARG 91 26.408 4.963 -13.399 530 HB2 ARG 91 1HB ARG 91 25.234 6.648 -11.161 531 HB3 ARG 91 2HB ARG 91 24.436 5.267 -11.899 532 HG2 ARG 91 1HG ARG 91 26.334 3.828 -11.145 533 HG3 ARG 91 2HG ARG 91 26.995 5.240 -10.285 534 HD2 ARG 91 1HD ARG 91 25.746 3.879 -8.770 535 HD3 ARG 91 2HD ARG 91 24.887 5.413 -9.037 536 HE ARG 91 HE ARG 91 23.170 4.273 -10.076 537 HH11 ARG 91 1HH1 ARG 91 25.885 2.111 -9.536 538 HH12 ARG 91 2HH1 ARG 91 24.975 0.668 -9.922 539 HH21 ARG 91 1HH2 ARG 91 21.998 2.393 -10.576 540 HH22 ARG 91 2HH2 ARG 91 22.775 0.827 -10.511 541 H TRP 92 H TRP 92 24.199 5.124 -14.302 542 HA TRP 92 HA TRP 92 24.177 7.564 -16.000 543 HB2 TRP 92 1HB TRP 92 23.124 4.746 -16.395 544 HB3 TRP 92 2HB TRP 92 22.646 6.070 -17.447 545 HD1 TRP 92 HD1 TRP 92 25.624 3.817 -16.620 546 HE1 TRP 92 HE1 TRP 92 27.442 4.101 -18.435 547 HE3 TRP 92 HE3 TRP 92 23.605 7.802 -19.138 548 HZ2 TRP 92 HZ2 TRP 92 27.929 5.799 -20.638 549 HZ3 TRP 92 HZ3 TRP 92 24.799 8.711 -21.091 550 HH2 TRP 92 HH2 TRP 92 26.926 7.728 -21.836 551 H TYR 93 H TYR 93 22.547 8.963 -16.030 552 HA TYR 93 HA TYR 93 19.974 8.144 -14.766 553 HB2 TYR 93 1HB TYR 93 21.424 10.787 -14.324 554 HB3 TYR 93 2HB TYR 93 19.801 10.417 -13.759 555 HD1 TYR 93 HD1 TYR 93 23.370 9.425 -13.445 556 HD2 TYR 93 HD2 TYR 93 19.434 9.259 -11.744 557 HE1 TYR 93 HE1 TYR 93 24.308 8.478 -11.364 558 HE2 TYR 93 HE2 TYR 93 20.373 8.312 -9.663 559 HH TYR 93 HH TYR 93 22.201 7.635 -8.611 560 H TYR 94 H TYR 94 18.116 9.041 -15.592 561 HA TYR 94 HA TYR 94 18.419 10.095 -18.332 562 HB2 TYR 94 1HB TYR 94 16.826 8.261 -17.963 563 HB3 TYR 94 2HB TYR 94 15.968 9.211 -16.758 564 HD1 TYR 94 HD1 TYR 94 17.032 9.381 -20.346 565 HD2 TYR 94 HD2 TYR 94 14.105 10.419 -17.385 566 HE1 TYR 94 HE1 TYR 94 15.573 10.308 -22.112 567 HE2 TYR 94 HE2 TYR 94 12.646 11.346 -19.152 568 HH TYR 94 HH TYR 94 12.386 11.702 -21.324 569 H ASP 95 H ASP 95 18.490 12.164 -18.746 570 HA ASP 95 HA ASP 95 17.522 14.123 -16.796 571 HB2 ASP 95 1HB ASP 95 19.587 14.526 -18.119 572 HB3 ASP 95 2HB ASP 95 18.644 14.502 -19.602 573 H THR 96 H THR 96 15.442 14.555 -16.610 574 HA THR 96 HA THR 96 13.600 13.802 -18.737 575 HB THR 96 HB THR 96 11.832 14.497 -17.169 576 HG1 THR 96 HG1 THR 96 12.956 16.324 -16.291 577 HG21 THR 96 1HG2 THR 96 12.377 12.984 -15.302 578 HG22 THR 96 2HG2 THR 96 12.876 12.279 -16.858 579 HG23 THR 96 3HG2 THR 96 14.090 13.005 -15.780 580 H ASN 97 H ASN 97 15.282 16.656 -17.843 581 HA ASN 97 HA ASN 97 13.292 18.470 -19.025 582 HB2 ASN 97 1HB ASN 97 16.047 18.899 -17.835 583 HB3 ASN 97 2HB ASN 97 15.107 20.192 -18.568 584 HD21 ASN 97 1HD2 ASN 97 14.559 20.028 -14.864 585 HD22 ASN 97 2HD2 ASN 97 15.972 20.068 -15.865 586 H ASN 98 H ASN 98 16.390 17.015 -19.882 587 HA ASN 98 HA ASN 98 16.202 18.361 -22.539 588 HB2 ASN 98 1HB ASN 98 18.533 17.045 -21.112 589 HB3 ASN 98 2HB ASN 98 18.591 17.571 -22.788 590 HD21 ASN 98 1HD2 ASN 98 19.308 20.159 -19.855 591 HD22 ASN 98 2HD2 ASN 98 19.231 18.440 -19.660 592 H ALA 99 H ALA 99 15.396 15.523 -21.024 593 HA ALA 99 HA ALA 99 14.791 13.451 -21.806 594 HB1 ALA 99 1HB ALA 99 13.938 13.339 -24.125 595 HB2 ALA 99 2HB ALA 99 13.342 14.783 -23.272 596 HB3 ALA 99 3HB ALA 99 14.659 14.930 -24.458 597 H THR 100 H THR 100 17.363 13.444 -21.326 598 HA THR 100 HA THR 100 18.450 11.715 -23.443 599 HB THR 100 HB THR 100 19.195 14.006 -24.118 600 HG1 THR 100 HG1 THR 100 21.448 12.613 -23.117 601 HG21 THR 100 1HG2 THR 100 20.841 15.175 -22.707 602 HG22 THR 100 2HG2 THR 100 19.282 15.013 -21.864 603 HG23 THR 100 3HG2 THR 100 20.638 13.943 -21.441 604 H CYS 101 H CYS 101 20.222 10.439 -22.784 605 HA CYS 101 HA CYS 101 20.258 10.057 -19.845 606 HB2 CYS 101 1HB CYS 101 21.337 8.307 -22.090 607 HB3 CYS 101 2HB CYS 101 21.354 7.892 -20.382 608 H GLU 102 H GLU 102 21.918 10.581 -18.600 609 HA GLU 102 HA GLU 102 24.561 11.059 -19.892 610 HB2 GLU 102 1HB GLU 102 23.132 12.928 -17.959 611 HB3 GLU 102 2HB GLU 102 24.822 13.083 -18.416 612 HG2 GLU 102 1HG GLU 102 24.116 13.352 -20.789 613 HG3 GLU 102 2HG GLU 102 22.435 13.303 -20.261 614 H MET 103 H MET 103 26.364 11.103 -18.388 615 HA MET 103 HA MET 103 25.892 9.187 -16.169 616 HB2 MET 103 1HB MET 103 27.625 8.606 -17.828 617 HB3 MET 103 2HB MET 103 28.468 10.113 -17.501 618 HG2 MET 103 1HG MET 103 28.898 9.381 -15.190 619 HG3 MET 103 2HG MET 103 28.036 7.872 -15.504 620 HE1 MET 103 1HE MET 103 30.344 5.900 -17.848 621 HE2 MET 103 2HE MET 103 28.989 5.838 -16.694 622 HE3 MET 103 3HE MET 103 28.834 6.773 -18.201 623 H PHE 104 H PHE 104 26.030 9.693 -14.104 624 HA PHE 104 HA PHE 104 27.208 12.351 -13.411 625 HB2 PHE 104 1HB PHE 104 24.700 11.055 -12.274 626 HB3 PHE 104 2HB PHE 104 25.470 12.478 -11.593 627 HD1 PHE 104 HD1 PHE 104 23.563 11.157 -14.442 628 HD2 PHE 104 HD2 PHE 104 25.299 14.630 -12.661 629 HE1 PHE 104 HE1 PHE 104 22.264 12.592 -15.979 630 HE2 PHE 104 HE2 PHE 104 24.000 16.069 -14.195 631 HZ PHE 104 HZ PHE 104 22.483 15.049 -15.856 632 H THR 105 H THR 105 27.870 12.547 -11.137 633 HA THR 105 HA THR 105 29.281 10.083 -10.337 634 HB THR 105 HB THR 105 29.454 12.923 -9.241 635 HG1 THR 105 HG1 THR 105 31.615 12.583 -10.352 636 HG21 THR 105 1HG2 THR 105 31.499 12.118 -8.127 637 HG22 THR 105 2HG2 THR 105 30.072 11.216 -7.566 638 HG23 THR 105 3HG2 THR 105 31.189 10.476 -8.735 639 H TYR 106 H TYR 106 28.118 8.684 -9.209 640 HA TYR 106 HA TYR 106 25.957 9.480 -7.466 641 HB2 TYR 106 1HB TYR 106 26.064 7.276 -8.642 642 HB3 TYR 106 2HB TYR 106 27.428 6.819 -7.631 643 HD1 TYR 106 HD1 TYR 106 24.127 8.459 -6.914 644 HD2 TYR 106 HD2 TYR 106 26.818 5.216 -6.108 645 HE1 TYR 106 HE1 TYR 106 22.569 7.590 -5.203 646 HE2 TYR 106 HE2 TYR 106 25.260 4.347 -4.398 647 HH TYR 106 HH TYR 106 22.160 5.963 -3.743 648 H GLY 107 H GLY 107 25.958 10.097 -5.432 649 HA2 GLY 107 1HA GLY 107 28.600 10.388 -4.137 650 HA3 GLY 107 2HA GLY 107 27.117 11.202 -3.677 651 H GLY 108 H GLY 108 25.798 8.383 -3.966 652 HA2 GLY 108 1HA GLY 108 25.873 6.298 -2.782 653 HA3 GLY 108 2HA GLY 108 27.014 6.987 -1.642 654 H ILE 109 H ILE 109 24.265 8.910 -2.549 655 HA ILE 109 HA ILE 109 23.112 8.435 0.164 656 HB ILE 109 HB ILE 109 22.849 10.895 -1.618 657 HG12 ILE 109 1HG1 ILE 109 25.130 10.647 -0.824 658 HG13 ILE 109 2HG1 ILE 109 24.332 11.995 -0.029 659 HG21 ILE 109 1HG2 ILE 109 21.876 11.929 0.393 660 HG22 ILE 109 2HG2 ILE 109 20.913 10.530 -0.136 661 HG23 ILE 109 3HG2 ILE 109 22.008 10.380 1.258 662 HD11 ILE 109 1HD1 ILE 109 25.682 10.723 1.543 663 HD12 ILE 109 2HD1 ILE 109 23.957 10.611 1.967 664 HD13 ILE 109 3HD1 ILE 109 24.767 9.246 1.162 665 H THR 110 H THR 110 21.909 6.613 -0.569 666 HA THR 110 HA THR 110 20.050 5.572 -1.475 667 HB THR 110 HB THR 110 17.940 6.672 -1.002 668 HG1 THR 110 HG1 THR 110 19.343 8.889 -1.632 669 HG21 THR 110 1HG2 THR 110 18.297 7.391 1.327 670 HG22 THR 110 2HG2 THR 110 19.258 5.941 0.955 671 HG23 THR 110 3HG2 THR 110 20.043 7.536 1.019 672 H GLY 111 H GLY 111 17.899 7.575 -2.628 673 HA2 GLY 111 1HA GLY 111 18.304 8.828 -4.903 674 HA3 GLY 111 2HA GLY 111 18.903 7.263 -5.421 675 H ASN 112 H ASN 112 17.028 7.820 -6.984 676 HA ASN 112 HA ASN 112 14.594 6.455 -5.922 677 HB2 ASN 112 1HB ASN 112 13.184 7.896 -7.280 678 HB3 ASN 112 2HB ASN 112 14.141 8.866 -6.169 679 HD21 ASN 112 1HD2 ASN 112 15.038 10.913 -8.808 680 HD22 ASN 112 2HD2 ASN 112 14.340 10.738 -7.233 681 H LYS 113 H LYS 113 13.158 6.332 -8.277 682 HA LYS 113 HA LYS 113 14.240 3.882 -9.240 683 HB2 LYS 113 1HB LYS 113 12.040 5.673 -10.337 684 HB3 LYS 113 2HB LYS 113 12.419 4.090 -11.000 685 HG2 LYS 113 1HG LYS 113 11.946 3.091 -8.749 686 HG3 LYS 113 2HG LYS 113 11.429 4.692 -8.201 687 HD2 LYS 113 1HD LYS 113 9.430 3.610 -8.849 688 HD3 LYS 113 2HD LYS 113 9.814 4.682 -10.205 689 HE2 LYS 113 1HE LYS 113 9.189 2.555 -11.126 690 HE3 LYS 113 2HE LYS 113 10.933 2.726 -11.340 691 HZ1 LYS 113 1HZ LYS 113 10.352 0.557 -10.537 692 HZ2 LYS 113 2HZ LYS 113 11.248 1.349 -9.401 693 HZ3 LYS 113 3HZ LYS 113 9.618 1.188 -9.202 694 H ASN 114 H ASN 114 14.474 7.183 -10.427 695 HA ASN 114 HA ASN 114 15.611 6.458 -12.989 696 HB2 ASN 114 1HB ASN 114 14.502 8.649 -12.484 697 HB3 ASN 114 2HB ASN 114 15.870 9.068 -11.461 698 HD21 ASN 114 1HD2 ASN 114 16.337 10.514 -14.853 699 HD22 ASN 114 2HD2 ASN 114 15.098 10.593 -13.646 700 H ASN 115 H ASN 115 17.198 4.927 -12.553 701 HA ASN 115 HA ASN 115 19.824 5.969 -11.997 702 HB2 ASN 115 1HB ASN 115 18.910 5.927 -9.682 703 HB3 ASN 115 2HB ASN 115 18.603 4.204 -9.850 704 HD21 ASN 115 1HD2 ASN 115 21.835 4.702 -8.110 705 HD22 ASN 115 2HD2 ASN 115 20.194 5.186 -7.840 706 H PHE 116 H PHE 116 20.839 4.936 -13.564 707 HA PHE 116 HA PHE 116 20.027 2.102 -14.068 708 HB2 PHE 116 1HB PHE 116 20.913 4.163 -16.125 709 HB3 PHE 116 2HB PHE 116 20.371 2.525 -16.453 710 HD1 PHE 116 HD1 PHE 116 19.374 5.936 -15.798 711 HD2 PHE 116 HD2 PHE 116 17.987 1.903 -16.038 712 HE1 PHE 116 HE1 PHE 116 17.048 6.750 -16.000 713 HE2 PHE 116 HE2 PHE 116 15.660 2.712 -16.243 714 HZ PHE 116 HZ PHE 116 15.191 5.137 -16.222 715 H GLU 117 H GLU 117 21.589 0.671 -14.905 716 HA GLU 117 HA GLU 117 24.278 1.213 -13.873 717 HB2 GLU 117 1HB GLU 117 23.060 -1.217 -15.244 718 HB3 GLU 117 2HB GLU 117 24.715 -1.150 -14.655 719 HG2 GLU 117 1HG GLU 117 22.286 -0.736 -12.900 720 HG3 GLU 117 2HG GLU 117 23.075 -2.292 -13.148 721 H SER 118 H SER 118 22.627 1.258 -16.932 722 HA SER 118 HA SER 118 25.155 2.000 -18.276 723 HB2 SER 118 1HB SER 118 24.884 0.394 -20.055 724 HB3 SER 118 2HB SER 118 24.931 -0.467 -18.525 725 HG SER 118 HG SER 118 23.089 -1.207 -18.973 726 H GLU 119 H GLU 119 24.853 3.002 -20.345 727 HA GLU 119 HA GLU 119 22.640 4.750 -20.556 728 HB2 GLU 119 1HB GLU 119 24.812 5.080 -21.721 729 HB3 GLU 119 2HB GLU 119 24.455 3.719 -22.775 730 HG2 GLU 119 1HG GLU 119 22.522 4.911 -23.692 731 HG3 GLU 119 2HG GLU 119 22.829 6.266 -22.608 732 H GLU 120 H GLU 120 23.182 1.527 -21.933 733 HA GLU 120 HA GLU 120 20.945 1.401 -23.644 734 HB2 GLU 120 1HB GLU 120 22.708 -0.332 -23.550 735 HB3 GLU 120 2HB GLU 120 22.170 -0.812 -21.947 736 HG2 GLU 120 1HG GLU 120 20.007 -1.513 -22.867 737 HG3 GLU 120 2HG GLU 120 20.516 -1.002 -24.474 738 H GLU 121 H GLU 121 21.176 0.460 -20.197 739 HA GLU 121 HA GLU 121 18.467 -0.295 -19.882 740 HB2 GLU 121 1HB GLU 121 20.492 0.834 -17.917 741 HB3 GLU 121 2HB GLU 121 18.887 0.310 -17.426 742 HG2 GLU 121 1HG GLU 121 19.367 -1.956 -18.251 743 HG3 GLU 121 2HG GLU 121 20.973 -1.433 -18.756 744 H CYS 122 H CYS 122 20.041 2.876 -19.462 745 HA CYS 122 HA CYS 122 17.819 4.317 -18.510 746 HB2 CYS 122 1HB CYS 122 20.098 5.252 -18.629 747 HB3 CYS 122 2HB CYS 122 20.027 5.251 -20.386 748 H LYS 123 H LYS 123 18.902 3.933 -21.911 749 HA LYS 123 HA LYS 123 16.714 5.510 -22.922 750 HB2 LYS 123 1HB LYS 123 18.707 3.648 -24.260 751 HB3 LYS 123 2HB LYS 123 17.480 4.529 -25.160 752 HG2 LYS 123 1HG LYS 123 18.418 6.665 -24.373 753 HG3 LYS 123 2HG LYS 123 19.641 5.788 -23.444 754 HD2 LYS 123 1HD LYS 123 20.572 4.830 -25.487 755 HD3 LYS 123 2HD LYS 123 19.284 5.561 -26.455 756 HE2 LYS 123 1HE LYS 123 20.073 7.803 -25.883 757 HE3 LYS 123 2HE LYS 123 21.296 7.130 -24.802 758 HZ1 LYS 123 1HZ LYS 123 22.219 7.715 -26.922 759 HZ2 LYS 123 2HZ LYS 123 22.318 6.083 -26.704 760 HZ3 LYS 123 3HZ LYS 123 21.176 6.713 -27.714 761 H GLU 124 H GLU 124 17.299 2.021 -22.631 762 HA GLU 124 HA GLU 124 15.017 1.278 -24.228 763 HB2 GLU 124 1HB GLU 124 16.699 -0.269 -22.220 764 HB3 GLU 124 2HB GLU 124 15.407 -0.999 -23.162 765 HG2 GLU 124 1HG GLU 124 17.907 0.300 -24.267 766 HG3 GLU 124 2HG GLU 124 17.588 -1.429 -24.148 767 H THR 125 H THR 125 15.557 1.773 -20.765 768 HA THR 125 HA THR 125 12.999 0.882 -19.871 769 HB THR 125 HB THR 125 14.828 3.042 -18.739 770 HG1 THR 125 HG1 THR 125 15.828 1.062 -18.644 771 HG21 THR 125 1HG2 THR 125 13.572 2.712 -16.646 772 HG22 THR 125 2HG2 THR 125 12.504 3.301 -17.942 773 HG23 THR 125 3HG2 THR 125 12.476 1.585 -17.476 774 H CYS 126 H CYS 126 14.132 4.050 -21.037 775 HA CYS 126 HA CYS 126 11.646 5.410 -20.636 776 HB2 CYS 126 1HB CYS 126 13.926 5.931 -22.581 777 HB3 CYS 126 2HB CYS 126 12.563 7.019 -22.356 778 H LYS 127 H LYS 127 12.953 3.485 -23.309 779 HA LYS 127 HA LYS 127 10.796 3.938 -25.135 780 HB2 LYS 127 1HB LYS 127 12.702 1.596 -24.778 781 HB3 LYS 127 2HB LYS 127 11.525 1.686 -26.081 782 HG2 LYS 127 1HG LYS 127 12.582 3.733 -26.927 783 HG3 LYS 127 2HG LYS 127 13.744 3.695 -25.593 784 HD2 LYS 127 1HD LYS 127 14.489 1.425 -26.391 785 HD3 LYS 127 2HD LYS 127 13.429 1.623 -27.794 786 HE2 LYS 127 1HE LYS 127 14.664 3.636 -28.472 787 HE3 LYS 127 2HE LYS 127 15.694 3.508 -27.044 788 HZ1 LYS 127 1HZ LYS 127 16.751 2.596 -28.977 789 HZ2 LYS 127 2HZ LYS 127 16.484 1.400 -27.874 790 HZ3 LYS 127 3HZ LYS 127 15.523 1.520 -29.209 791 H GLY 128 H GLY 128 11.263 1.618 -22.492 792 HA2 GLY 128 1HA GLY 128 9.124 1.163 -21.235 793 HA3 GLY 128 2HA GLY 128 8.373 0.871 -22.793 794 H PHE 129 H PHE 129 11.656 -0.128 -21.910 795 HA PHE 129 HA PHE 129 10.718 -2.968 -21.938 796 HB2 PHE 129 1HB PHE 129 13.340 -1.836 -22.996 797 HB3 PHE 129 2HB PHE 129 12.947 -3.545 -22.902 798 HD1 PHE 129 HD1 PHE 129 12.522 -0.470 -24.757 799 HD2 PHE 129 HD2 PHE 129 11.108 -4.476 -24.306 800 HE1 PHE 129 HE1 PHE 129 11.477 -0.351 -26.994 801 HE2 PHE 129 HE2 PHE 129 10.063 -4.362 -26.544 802 HZ PHE 129 HZ PHE 129 10.247 -2.297 -27.887 803 H SER 130 H SER 130 11.677 -4.416 -20.532 804 HA SER 130 HA SER 130 13.828 -3.616 -18.758 805 HB2 SER 130 1HB SER 130 12.000 -2.364 -17.713 806 HB3 SER 130 2HB SER 130 11.011 -3.814 -17.644 807 HG SER 130 HG SER 130 13.343 -3.171 -16.253 Start of MODEL 5 1 H GLU 13 1H GLU 13 -0.334 -0.943 -0.000 2 HA GLU 13 HA GLU 13 1.804 -0.498 0.906 3 HB2 GLU 13 1HB GLU 13 1.583 -0.329 -2.126 4 HB3 GLU 13 2HB GLU 13 3.076 -0.663 -1.260 5 HG2 GLU 13 1HG GLU 13 2.083 -2.707 -0.321 6 HG3 GLU 13 2HG GLU 13 0.579 -2.371 -1.176 7 H SER 14 H SER 14 3.761 0.783 0.785 8 HA SER 14 HA SER 14 2.894 3.449 1.469 9 HB2 SER 14 1HB SER 14 5.154 3.780 2.237 10 HB3 SER 14 2HB SER 14 4.638 2.168 2.706 11 HG SER 14 HG SER 14 6.711 2.860 1.299 12 H TRP 15 H TRP 15 4.372 2.005 -1.331 13 HA TRP 15 HA TRP 15 5.690 4.314 -2.367 14 HB2 TRP 15 1HB TRP 15 5.788 3.111 -4.462 15 HB3 TRP 15 2HB TRP 15 6.062 1.967 -3.156 16 HD1 TRP 15 HD1 TRP 15 4.371 -0.034 -2.903 17 HE1 TRP 15 HE1 TRP 15 2.357 -0.873 -4.290 18 HE3 TRP 15 HE3 TRP 15 3.753 4.051 -5.942 19 HZ2 TRP 15 HZ2 TRP 15 0.735 0.094 -6.389 20 HZ3 TRP 15 HZ3 TRP 15 1.952 4.029 -7.621 21 HH2 TRP 15 HH2 TRP 15 0.461 2.086 -7.844 22 H VAL 16 H VAL 16 2.354 3.435 -2.194 23 HA VAL 16 HA VAL 16 1.363 4.907 -4.430 24 HB VAL 16 HB VAL 16 0.066 4.215 -1.761 25 HG11 VAL 16 1HG1 VAL 16 -2.072 4.670 -2.861 26 HG12 VAL 16 2HG1 VAL 16 -1.056 6.127 -2.752 27 HG13 VAL 16 3HG1 VAL 16 -1.206 5.260 -4.299 28 HG21 VAL 16 1HG2 VAL 16 -1.022 2.434 -3.089 29 HG22 VAL 16 2HG2 VAL 16 -0.116 2.957 -4.529 30 HG23 VAL 16 3HG2 VAL 16 0.750 2.277 -3.131 31 H SER 17 H SER 17 2.390 5.860 -1.215 32 HA SER 17 HA SER 17 0.957 8.344 -1.105 33 HB2 SER 17 1HB SER 17 3.468 7.393 0.308 34 HB3 SER 17 2HB SER 17 2.647 8.901 0.680 35 HG SER 17 HG SER 17 1.150 7.872 1.644 36 H CYS 18 H CYS 18 3.738 7.342 -2.846 37 HA CYS 18 HA CYS 18 4.973 9.963 -3.055 38 HB2 CYS 18 1HB CYS 18 5.309 7.421 -4.691 39 HB3 CYS 18 2HB CYS 18 6.267 8.875 -4.928 40 H LEU 19 H LEU 19 2.270 8.439 -4.497 41 HA LEU 19 HA LEU 19 2.289 10.425 -6.722 42 HB2 LEU 19 1HB LEU 19 0.595 7.931 -6.337 43 HB3 LEU 19 2HB LEU 19 0.511 9.024 -7.722 44 HG LEU 19 HG LEU 19 2.904 7.313 -6.958 45 HD11 LEU 19 1HD1 LEU 19 2.314 6.050 -8.978 46 HD12 LEU 19 2HD1 LEU 19 1.007 6.008 -7.771 47 HD13 LEU 19 3HD1 LEU 19 0.871 7.069 -9.194 48 HD21 LEU 19 1HD2 LEU 19 3.797 8.069 -9.136 49 HD22 LEU 19 2HD2 LEU 19 2.375 9.117 -9.355 50 HD23 LEU 19 3HD2 LEU 19 3.530 9.446 -8.041 51 H ASP 20 H ASP 20 0.812 9.586 -3.725 52 HA ASP 20 HA ASP 20 -1.721 10.870 -4.094 53 HB2 ASP 20 1HB ASP 20 -0.059 10.268 -1.624 54 HB3 ASP 20 2HB ASP 20 -1.635 11.042 -1.532 55 HA PRO 21 HA PRO 21 -1.033 15.141 -3.988 56 HB2 PRO 21 1HB PRO 21 -2.935 15.205 -1.612 57 HB3 PRO 21 2HB PRO 21 -2.955 16.195 -3.077 58 HG2 PRO 21 1HG PRO 21 -4.676 14.176 -2.904 59 HG3 PRO 21 2HG PRO 21 -3.820 14.434 -4.427 60 HD2 PRO 21 1HD PRO 21 -3.248 12.416 -2.222 61 HD3 PRO 21 2HD PRO 21 -3.214 12.185 -4.016 62 H GLU 22 H GLU 22 0.367 16.552 -3.001 63 HA GLU 22 HA GLU 22 2.167 15.497 -1.093 64 HB2 GLU 22 1HB GLU 22 1.658 18.334 -2.049 65 HB3 GLU 22 2HB GLU 22 2.938 17.945 -0.909 66 HG2 GLU 22 1HG GLU 22 4.076 17.923 -2.895 67 HG3 GLU 22 2HG GLU 22 3.684 16.215 -2.710 68 H GLN 23 H GLN 23 2.420 15.655 1.072 69 HA GLN 23 HA GLN 23 0.258 16.571 2.742 70 HB2 GLN 23 1HB GLN 23 1.760 14.848 3.558 71 HB3 GLN 23 2HB GLN 23 3.160 15.889 3.345 72 HG2 GLN 23 1HG GLN 23 2.655 15.816 5.661 73 HG3 GLN 23 2HG GLN 23 2.183 17.433 5.067 74 HE21 GLN 23 1HE2 GLN 23 -0.971 17.152 6.456 75 HE22 GLN 23 2HE2 GLN 23 0.424 18.111 6.090 76 H VAL 24 H VAL 24 -0.188 18.482 3.595 77 HA VAL 24 HA VAL 24 1.376 20.778 2.669 78 HB VAL 24 HB VAL 24 -1.118 20.613 4.416 79 HG11 VAL 24 1HG1 VAL 24 -1.384 22.996 3.931 80 HG12 VAL 24 2HG1 VAL 24 0.112 22.663 4.836 81 HG13 VAL 24 3HG1 VAL 24 0.183 22.999 3.089 82 HG21 VAL 24 1HG2 VAL 24 -2.283 21.311 2.347 83 HG22 VAL 24 2HG2 VAL 24 -0.740 21.256 1.462 84 HG23 VAL 24 3HG2 VAL 24 -1.443 19.759 2.120 85 H THR 25 H THR 25 2.776 21.971 3.792 86 HA THR 25 HA THR 25 3.774 21.062 6.320 87 HB THR 25 HB THR 25 5.164 22.327 4.692 88 HG1 THR 25 HG1 THR 25 5.416 22.378 7.135 89 HG21 THR 25 1HG2 THR 25 4.895 24.770 4.521 90 HG22 THR 25 2HG2 THR 25 3.440 23.927 3.936 91 HG23 THR 25 3HG2 THR 25 3.443 24.686 5.545 92 H CYS 26 H CYS 26 3.615 21.889 8.375 93 HA CYS 26 HA CYS 26 1.242 23.658 8.799 94 HB2 CYS 26 1HB CYS 26 2.272 21.397 10.557 95 HB3 CYS 26 2HB CYS 26 0.945 22.471 10.971 96 H GLU 27 H GLU 27 1.317 25.190 10.441 97 HA GLU 27 HA GLU 27 3.976 26.275 10.900 98 HB2 GLU 27 1HB GLU 27 1.237 27.144 11.908 99 HB3 GLU 27 2HB GLU 27 2.722 28.050 12.160 100 HG2 GLU 27 1HG GLU 27 2.985 28.300 9.724 101 HG3 GLU 27 2HG GLU 27 1.494 27.394 9.473 102 H SER 28 H SER 28 4.784 24.347 12.043 103 HA SER 28 HA SER 28 4.423 24.734 14.952 104 HB2 SER 28 1HB SER 28 2.809 22.985 14.428 105 HB3 SER 28 2HB SER 28 4.023 22.078 13.540 106 HG SER 28 HG SER 28 3.460 21.817 15.989 107 H GLN 29 H GLN 29 6.199 24.259 16.164 108 HA GLN 29 HA GLN 29 8.630 23.513 14.606 109 HB2 GLN 29 1HB GLN 29 8.408 24.940 17.287 110 HB3 GLN 29 2HB GLN 29 9.903 24.597 16.428 111 HG2 GLN 29 1HG GLN 29 7.671 26.377 15.425 112 HG3 GLN 29 2HG GLN 29 9.207 26.918 16.158 113 HE21 GLN 29 1HE2 GLN 29 9.043 26.545 12.253 114 HE22 GLN 29 2HE2 GLN 29 7.726 26.866 13.331 115 H GLU 30 H GLU 30 6.441 21.844 16.077 116 HA GLU 30 HA GLU 30 7.780 20.602 18.298 117 HB2 GLU 30 1HB GLU 30 5.444 19.718 16.563 118 HB3 GLU 30 2HB GLU 30 6.008 18.803 17.954 119 HG2 GLU 30 1HG GLU 30 5.542 20.734 19.412 120 HG3 GLU 30 2HG GLU 30 4.968 21.644 18.016 121 H GLY 31 H GLY 31 7.705 19.987 14.836 122 HA2 GLY 31 1HA GLY 31 10.134 18.515 14.842 123 HA3 GLY 31 2HA GLY 31 8.821 17.352 14.871 124 H THR 32 H THR 32 9.940 16.853 12.737 125 HA THR 32 HA THR 32 8.667 18.485 10.585 126 HB THR 32 HB THR 32 10.641 18.199 9.171 127 HG1 THR 32 HG1 THR 32 12.383 17.033 9.841 128 HG21 THR 32 1HG2 THR 32 12.257 19.571 10.426 129 HG22 THR 32 2HG2 THR 32 10.595 20.154 10.681 130 HG23 THR 32 3HG2 THR 32 11.406 19.196 11.942 131 H HIS 33 H HIS 33 8.758 17.248 8.431 132 HA HIS 33 HA HIS 33 8.782 14.316 8.687 133 HB2 HIS 33 1HB HIS 33 6.504 14.018 7.817 134 HB3 HIS 33 2HB HIS 33 6.488 14.807 9.388 135 HD1 HIS 33 HD1 HIS 33 5.909 17.389 9.431 136 HD2 HIS 33 HD2 HIS 33 5.402 15.610 5.644 137 HE1 HIS 33 HE1 HIS 33 4.505 18.924 8.148 138 H ALA 34 H ALA 34 8.349 13.252 6.577 139 HA ALA 34 HA ALA 34 9.608 14.933 4.463 140 HB1 ALA 34 1HB ALA 34 10.405 12.797 3.503 141 HB2 ALA 34 2HB ALA 34 10.959 13.013 5.181 142 HB3 ALA 34 3HB ALA 34 9.606 11.914 4.825 143 H SER 35 H SER 35 8.864 14.934 2.371 144 HA SER 35 HA SER 35 6.534 13.276 1.681 145 HB2 SER 35 1HB SER 35 5.480 15.216 2.732 146 HB3 SER 35 2HB SER 35 6.409 16.309 1.718 147 HG SER 35 HG SER 35 4.833 14.299 0.592 148 H TYR 36 H TYR 36 6.302 12.923 -0.479 149 HA TYR 36 HA TYR 36 8.602 13.697 -2.127 150 HB2 TYR 36 1HB TYR 36 7.713 11.382 -2.191 151 HB3 TYR 36 2HB TYR 36 6.168 11.985 -2.775 152 HD1 TYR 36 HD1 TYR 36 9.753 11.589 -3.623 153 HD2 TYR 36 HD2 TYR 36 5.818 12.516 -5.061 154 HE1 TYR 36 HE1 TYR 36 10.561 11.410 -5.952 155 HE2 TYR 36 HE2 TYR 36 6.627 12.337 -7.390 156 HH TYR 36 HH TYR 36 10.026 11.564 -8.102 157 H ASN 37 H ASN 37 8.649 15.633 -3.000 158 HA ASN 37 HA ASN 37 6.138 16.979 -3.740 159 HB2 ASN 37 1HB ASN 37 8.003 18.188 -2.600 160 HB3 ASN 37 2HB ASN 37 9.010 17.924 -4.017 161 HD21 ASN 37 1HD2 ASN 37 7.551 21.294 -4.273 162 HD22 ASN 37 2HD2 ASN 37 8.592 20.450 -3.176 163 H ARG 38 H ARG 38 5.185 16.511 -5.570 164 HA ARG 38 HA ARG 38 6.612 15.108 -7.660 165 HB2 ARG 38 1HB ARG 38 3.799 16.243 -7.550 166 HB3 ARG 38 2HB ARG 38 4.417 15.266 -8.873 167 HG2 ARG 38 1HG ARG 38 4.660 13.348 -7.443 168 HG3 ARG 38 2HG ARG 38 4.272 14.318 -6.001 169 HD2 ARG 38 1HD ARG 38 2.428 13.825 -8.327 170 HD3 ARG 38 2HD ARG 38 2.390 12.971 -6.767 171 HE ARG 38 HE ARG 38 2.254 15.707 -6.206 172 HH11 ARG 38 1HH1 ARG 38 0.340 13.283 -7.878 173 HH12 ARG 38 2HH1 ARG 38 -1.183 14.077 -7.549 174 HH21 ARG 38 1HH2 ARG 38 0.271 16.729 -5.784 175 HH22 ARG 38 2HH2 ARG 38 -1.223 16.028 -6.364 176 H LYS 39 H LYS 39 6.059 18.412 -6.949 177 HA LYS 39 HA LYS 39 6.173 19.379 -9.689 178 HB2 LYS 39 1HB LYS 39 6.535 20.765 -7.006 179 HB3 LYS 39 2HB LYS 39 6.585 21.607 -8.548 180 HG2 LYS 39 1HG LYS 39 4.268 20.908 -9.016 181 HG3 LYS 39 2HG LYS 39 4.217 20.052 -7.468 182 HD2 LYS 39 1HD LYS 39 4.631 22.180 -6.275 183 HD3 LYS 39 2HD LYS 39 4.685 23.036 -7.823 184 HE2 LYS 39 1HE LYS 39 2.354 22.381 -8.283 185 HE3 LYS 39 2HE LYS 39 2.293 21.487 -6.762 186 HZ1 LYS 39 1HZ LYS 39 1.318 23.653 -6.551 187 HZ2 LYS 39 2HZ LYS 39 2.661 23.553 -5.599 188 HZ3 LYS 39 3HZ LYS 39 2.717 24.389 -7.019 189 H THR 40 H THR 40 8.482 18.366 -7.327 190 HA THR 40 HA THR 40 10.663 19.464 -9.053 191 HB THR 40 HB THR 40 12.128 19.360 -7.049 192 HG1 THR 40 HG1 THR 40 10.963 19.052 -4.999 193 HG21 THR 40 1HG2 THR 40 11.110 21.232 -5.814 194 HG22 THR 40 2HG2 THR 40 10.925 21.454 -7.570 195 HG23 THR 40 3HG2 THR 40 9.546 20.901 -6.592 196 H GLY 41 H GLY 41 9.171 16.659 -7.706 197 HA2 GLY 41 1HA GLY 41 9.456 14.453 -8.428 198 HA3 GLY 41 2HA GLY 41 10.773 14.975 -9.461 199 H GLN 42 H GLN 42 10.413 15.431 -5.942 200 HA GLN 42 HA GLN 42 12.407 13.388 -5.329 201 HB2 GLN 42 1HB GLN 42 14.090 14.905 -4.410 202 HB3 GLN 42 2HB GLN 42 13.858 15.230 -6.122 203 HG2 GLN 42 1HG GLN 42 12.471 17.170 -5.593 204 HG3 GLN 42 2HG GLN 42 12.661 16.831 -3.850 205 HE21 GLN 42 1HE2 GLN 42 15.130 19.385 -4.283 206 HE22 GLN 42 2HE2 GLN 42 13.440 19.143 -3.989 207 H CYS 43 H CYS 43 12.814 13.166 -3.039 208 HA CYS 43 HA CYS 43 10.472 13.898 -1.438 209 HB2 CYS 43 1HB CYS 43 13.013 12.379 -0.735 210 HB3 CYS 43 2HB CYS 43 11.663 12.619 0.364 211 H GLU 44 H GLU 44 10.296 15.506 -0.022 212 HA GLU 44 HA GLU 44 12.774 17.035 0.645 213 HB2 GLU 44 1HB GLU 44 10.070 18.180 -0.165 214 HB3 GLU 44 2HB GLU 44 11.421 19.127 0.441 215 HG2 GLU 44 1HG GLU 44 12.766 18.534 -1.488 216 HG3 GLU 44 2HG GLU 44 11.507 17.449 -2.074 217 H GLU 45 H GLU 45 12.893 17.959 2.651 218 HA GLU 45 HA GLU 45 10.927 16.884 4.598 219 HB2 GLU 45 1HB GLU 45 13.352 16.442 4.967 220 HB3 GLU 45 2HB GLU 45 13.650 18.172 5.051 221 HG2 GLU 45 1HG GLU 45 12.222 18.335 7.041 222 HG3 GLU 45 2HG GLU 45 11.889 16.607 6.950 223 H GLN 46 H GLN 46 9.699 18.106 5.919 224 HA GLN 46 HA GLN 46 10.015 21.046 5.850 225 HB2 GLN 46 1HB GLN 46 7.679 21.424 5.217 226 HB3 GLN 46 2HB GLN 46 8.520 20.548 3.946 227 HG2 GLN 46 1HG GLN 46 7.534 18.430 4.804 228 HG3 GLN 46 2HG GLN 46 6.598 19.399 5.976 229 HE21 GLN 46 1HE2 GLN 46 4.109 19.087 3.463 230 HE22 GLN 46 2HE2 GLN 46 4.738 18.372 4.910 231 H LYS 47 H LYS 47 8.790 22.161 7.461 232 HA LYS 47 HA LYS 47 8.591 20.571 9.910 233 HB2 LYS 47 1HB LYS 47 8.150 23.530 9.351 234 HB3 LYS 47 2HB LYS 47 8.038 22.804 10.949 235 HG2 LYS 47 1HG LYS 47 10.405 22.107 10.797 236 HG3 LYS 47 2HG LYS 47 10.514 22.858 9.199 237 HD2 LYS 47 1HD LYS 47 9.961 25.052 10.174 238 HD3 LYS 47 2HD LYS 47 9.802 24.312 11.774 239 HE2 LYS 47 1HE LYS 47 12.181 23.613 11.675 240 HE3 LYS 47 2HE LYS 47 12.336 24.380 10.092 241 HZ1 LYS 47 1HZ LYS 47 13.122 25.799 11.841 242 HZ2 LYS 47 2HZ LYS 47 11.802 26.481 11.123 243 HZ3 LYS 47 3HZ LYS 47 11.659 25.764 12.602 244 H GLY 48 H GLY 48 6.792 20.312 11.222 245 HA2 GLY 48 1HA GLY 48 4.366 21.323 11.385 246 HA3 GLY 48 2HA GLY 48 4.178 20.573 9.811 247 H THR 49 H THR 49 2.411 19.579 11.316 248 HA THR 49 HA THR 49 3.537 17.081 12.512 249 HB THR 49 HB THR 49 1.615 17.102 14.103 250 HG1 THR 49 HG1 THR 49 0.243 18.826 14.150 251 HG21 THR 49 1HG2 THR 49 2.442 18.929 15.534 252 HG22 THR 49 2HG2 THR 49 3.794 18.048 14.782 253 HG23 THR 49 3HG2 THR 49 3.301 19.634 14.145 254 H GLU 50 H GLU 50 2.504 17.751 9.772 255 HA GLU 50 HA GLU 50 1.283 16.663 8.154 256 HB2 GLU 50 1HB GLU 50 0.979 14.520 10.298 257 HB3 GLU 50 2HB GLU 50 0.604 14.312 8.593 258 HG2 GLU 50 1HG GLU 50 2.970 14.736 8.028 259 HG3 GLU 50 2HG GLU 50 3.338 14.913 9.743 260 H CYS 51 H CYS 51 -0.136 18.624 9.035 261 HA CYS 51 HA CYS 51 -2.717 17.521 10.064 262 HB2 CYS 51 1HB CYS 51 -3.057 19.529 11.301 263 HB3 CYS 51 2HB CYS 51 -1.403 19.032 11.630 264 H GLY 52 H GLY 52 -2.711 17.277 7.501 265 HA2 GLY 52 1HA GLY 52 -4.802 18.183 6.294 266 HA3 GLY 52 2HA GLY 52 -4.000 19.740 6.388 267 H GLY 53 H GLY 53 -4.805 17.869 4.112 268 HA2 GLY 53 1HA GLY 53 -3.514 18.240 1.959 269 HA3 GLY 53 2HA GLY 53 -2.113 17.623 2.814 270 H GLY 54 H GLY 54 -1.927 15.974 1.200 271 HA2 GLY 54 1HA GLY 54 -4.055 13.915 1.107 272 HA3 GLY 54 2HA GLY 54 -2.624 13.979 0.096 273 H GLU 55 H GLU 55 -2.426 11.684 0.632 274 HA GLU 55 HA GLU 55 -1.490 11.113 3.383 275 HB2 GLU 55 1HB GLU 55 -1.943 9.282 0.991 276 HB3 GLU 55 2HB GLU 55 -1.425 8.744 2.583 277 HG2 GLU 55 1HG GLU 55 -4.042 10.140 1.980 278 HG3 GLU 55 2HG GLU 55 -3.828 8.401 2.169 279 H ASN 56 H ASN 56 -0.098 12.582 0.942 280 HA ASN 56 HA ASN 56 2.289 10.943 0.566 281 HB2 ASN 56 1HB ASN 56 1.408 12.483 -1.185 282 HB3 ASN 56 2HB ASN 56 1.793 13.851 -0.149 283 HD21 ASN 56 1HD2 ASN 56 4.519 13.015 -2.656 284 HD22 ASN 56 2HD2 ASN 56 2.796 13.093 -2.812 285 H HIS 57 H HIS 57 2.696 10.656 2.875 286 HA HIS 57 HA HIS 57 4.714 12.646 3.712 287 HB2 HIS 57 1HB HIS 57 3.826 12.841 5.988 288 HB3 HIS 57 2HB HIS 57 2.687 13.482 4.812 289 HD2 HIS 57 HD2 HIS 57 0.114 12.147 4.765 290 HE1 HIS 57 HE1 HIS 57 1.196 9.298 7.724 291 HE2 HIS 57 HE2 HIS 57 -0.726 10.316 6.260 292 H PHE 58 H PHE 58 6.257 11.860 5.135 293 HA PHE 58 HA PHE 58 6.136 8.940 5.682 294 HB2 PHE 58 1HB PHE 58 8.455 10.317 4.270 295 HB3 PHE 58 2HB PHE 58 8.407 8.633 4.766 296 HD1 PHE 58 HD1 PHE 58 7.215 11.097 2.345 297 HD2 PHE 58 HD2 PHE 58 7.023 7.013 3.582 298 HE1 PHE 58 HE1 PHE 58 6.213 10.487 0.169 299 HE2 PHE 58 HE2 PHE 58 6.023 6.398 1.406 300 HZ PHE 58 HZ PHE 58 5.617 8.138 -0.300 301 H GLU 59 H GLU 59 7.718 8.192 7.211 302 HA GLU 59 HA GLU 59 7.950 9.933 9.458 303 HB2 GLU 59 1HB GLU 59 9.327 7.304 8.792 304 HB3 GLU 59 2HB GLU 59 9.501 8.119 10.339 305 HG2 GLU 59 1HG GLU 59 7.140 7.884 10.797 306 HG3 GLU 59 2HG GLU 59 6.850 7.233 9.185 307 H THR 60 H THR 60 10.218 9.049 6.886 308 HA THR 60 HA THR 60 11.746 11.477 7.434 309 HB THR 60 HB THR 60 12.755 9.809 9.035 310 HG1 THR 60 HG1 THR 60 14.461 10.980 8.643 311 HG21 THR 60 1HG2 THR 60 14.134 8.001 8.087 312 HG22 THR 60 2HG2 THR 60 12.420 7.785 7.659 313 HG23 THR 60 3HG2 THR 60 13.565 8.418 6.454 314 H LEU 61 H LEU 61 13.850 11.359 5.940 315 HA LEU 61 HA LEU 61 12.657 11.413 3.316 316 HB2 LEU 61 1HB LEU 61 15.506 11.804 4.285 317 HB3 LEU 61 2HB LEU 61 15.017 12.002 2.599 318 HG LEU 61 HG LEU 61 13.904 13.629 4.912 319 HD11 LEU 61 1HD1 LEU 61 15.331 15.429 4.048 320 HD12 LEU 61 2HD1 LEU 61 16.291 14.038 4.603 321 HD13 LEU 61 3HD1 LEU 61 16.033 14.304 2.862 322 HD21 LEU 61 1HD2 LEU 61 13.042 15.055 3.087 323 HD22 LEU 61 2HD2 LEU 61 13.712 13.924 1.886 324 HD23 LEU 61 3HD2 LEU 61 12.397 13.400 2.965 325 H LEU 62 H LEU 62 14.800 9.193 5.020 326 HA LEU 62 HA LEU 62 15.579 7.632 2.756 327 HB2 LEU 62 1HB LEU 62 15.294 6.937 5.697 328 HB3 LEU 62 2HB LEU 62 15.972 5.833 4.496 329 HG LEU 62 HG LEU 62 17.124 8.563 5.172 330 HD11 LEU 62 1HD1 LEU 62 18.857 7.291 6.358 331 HD12 LEU 62 2HD1 LEU 62 17.249 7.039 7.076 332 HD13 LEU 62 3HD1 LEU 62 17.968 5.783 6.040 333 HD21 LEU 62 1HD2 LEU 62 19.064 7.720 3.893 334 HD22 LEU 62 2HD2 LEU 62 18.178 6.217 3.539 335 HD23 LEU 62 3HD2 LEU 62 17.601 7.766 2.880 336 H LYS 63 H LYS 63 12.837 7.383 5.014 337 HA LYS 63 HA LYS 63 11.745 4.993 3.866 338 HB2 LYS 63 1HB LYS 63 11.130 5.876 6.116 339 HB3 LYS 63 2HB LYS 63 10.319 7.236 5.351 340 HG2 LYS 63 1HG LYS 63 8.668 5.783 4.353 341 HG3 LYS 63 2HG LYS 63 9.543 4.343 4.893 342 HD2 LYS 63 1HD LYS 63 9.187 5.030 7.256 343 HD3 LYS 63 2HD LYS 63 8.276 6.440 6.695 344 HE2 LYS 63 1HE LYS 63 6.606 4.987 5.649 345 HE3 LYS 63 2HE LYS 63 7.537 3.553 6.088 346 HZ1 LYS 63 1HZ LYS 63 5.750 3.947 7.617 347 HZ2 LYS 63 2HZ LYS 63 7.194 4.110 8.397 348 HZ3 LYS 63 3HZ LYS 63 6.323 5.448 7.986 349 H CYS 64 H CYS 64 11.230 8.446 3.207 350 HA CYS 64 HA CYS 64 9.179 8.133 1.263 351 HB2 CYS 64 1HB CYS 64 9.834 10.314 2.252 352 HB3 CYS 64 2HB CYS 64 11.371 10.239 1.403 353 H ASN 65 H ASN 65 12.733 8.332 0.887 354 HA ASN 65 HA ASN 65 12.720 8.136 -1.955 355 HB2 ASN 65 1HB ASN 65 14.810 7.505 0.140 356 HB3 ASN 65 2HB ASN 65 15.122 7.301 -1.578 357 HD21 ASN 65 1HD2 ASN 65 16.150 10.702 -0.320 358 HD22 ASN 65 2HD2 ASN 65 16.407 9.098 0.281 359 H GLU 66 H GLU 66 13.022 5.629 0.556 360 HA GLU 66 HA GLU 66 13.405 3.463 -1.272 361 HB2 GLU 66 1HB GLU 66 12.352 3.579 1.577 362 HB3 GLU 66 2HB GLU 66 12.566 2.067 0.706 363 HG2 GLU 66 1HG GLU 66 14.953 2.492 0.481 364 HG3 GLU 66 2HG GLU 66 14.771 4.066 1.252 365 H SER 67 H SER 67 10.481 4.786 0.287 366 HA SER 67 HA SER 67 8.658 2.859 -0.717 367 HB2 SER 67 1HB SER 67 8.270 5.786 -0.018 368 HB3 SER 67 2HB SER 67 6.951 4.683 -0.379 369 HG SER 67 HG SER 67 8.766 4.672 1.742 370 H CYS 68 H CYS 68 9.778 5.947 -2.095 371 HA CYS 68 HA CYS 68 8.063 5.854 -4.392 372 HB2 CYS 68 1HB CYS 68 10.709 7.272 -3.906 373 HB3 CYS 68 2HB CYS 68 9.735 7.497 -5.352 374 H ASN 69 H ASN 69 11.273 4.560 -3.689 375 HA ASN 69 HA ASN 69 11.749 3.730 -6.444 376 HB2 ASN 69 1HB ASN 69 13.125 3.136 -3.812 377 HB3 ASN 69 2HB ASN 69 13.619 2.385 -5.324 378 HD21 ASN 69 1HD2 ASN 69 15.656 5.429 -4.708 379 HD22 ASN 69 2HD2 ASN 69 15.314 3.979 -3.825 380 H ASP 70 H ASP 70 9.948 2.504 -3.810 381 HA ASP 70 HA ASP 70 9.934 -0.245 -4.864 382 HB2 ASP 70 1HB ASP 70 8.423 1.121 -2.606 383 HB3 ASP 70 2HB ASP 70 8.134 -0.548 -3.080 384 H ALA 71 H ALA 71 8.612 2.594 -5.857 385 HA ALA 71 HA ALA 71 5.944 1.696 -6.529 386 HB1 ALA 71 1HB ALA 71 5.892 3.701 -7.977 387 HB2 ALA 71 2HB ALA 71 6.480 4.083 -6.342 388 HB3 ALA 71 3HB ALA 71 7.630 3.943 -7.691 389 HA PRO 72 HA PRO 72 6.809 -0.658 -10.045 390 HB2 PRO 72 1HB PRO 72 4.452 -0.486 -11.432 391 HB3 PRO 72 2HB PRO 72 4.569 -1.338 -9.887 392 HG2 PRO 72 1HG PRO 72 3.621 1.507 -10.432 393 HG3 PRO 72 2HG PRO 72 2.840 0.264 -9.451 394 HD2 PRO 72 1HD PRO 72 4.397 2.199 -8.321 395 HD3 PRO 72 2HD PRO 72 4.344 0.517 -7.656 396 H LYS 73 H LYS 73 6.265 2.706 -10.210 397 HA LYS 73 HA LYS 73 6.153 3.222 -12.983 398 HB2 LYS 73 1HB LYS 73 7.480 4.848 -10.777 399 HB3 LYS 73 2HB LYS 73 7.146 5.445 -12.397 400 HG2 LYS 73 1HG LYS 73 5.022 4.471 -10.464 401 HG3 LYS 73 2HG LYS 73 5.486 6.163 -10.693 402 HD2 LYS 73 1HD LYS 73 4.880 5.969 -13.109 403 HD3 LYS 73 2HD LYS 73 4.338 4.310 -12.813 404 HE2 LYS 73 1HE LYS 73 2.692 5.164 -11.155 405 HE3 LYS 73 2HE LYS 73 3.211 6.814 -11.507 406 HZ1 LYS 73 1HZ LYS 73 1.252 6.225 -12.734 407 HZ2 LYS 73 2HZ LYS 73 2.503 6.491 -13.777 408 HZ3 LYS 73 3HZ LYS 73 2.017 4.950 -13.448 409 HA PRO 74 HA PRO 74 9.963 1.603 -14.394 410 HB2 PRO 74 1HB PRO 74 9.378 3.568 -16.640 411 HB3 PRO 74 2HB PRO 74 9.852 1.868 -16.746 412 HG2 PRO 74 1HG PRO 74 7.294 2.489 -17.135 413 HG3 PRO 74 2HG PRO 74 7.687 1.080 -16.145 414 HD2 PRO 74 1HD PRO 74 6.881 3.880 -15.263 415 HD3 PRO 74 2HD PRO 74 6.343 2.280 -14.611 416 HA PRO 75 HA PRO 75 12.904 4.624 -13.065 417 HB2 PRO 75 1HB PRO 75 14.595 3.315 -15.232 418 HB3 PRO 75 2HB PRO 75 15.034 3.701 -13.563 419 HG2 PRO 75 1HG PRO 75 14.429 1.180 -14.148 420 HG3 PRO 75 2HG PRO 75 13.782 1.885 -12.664 421 HD2 PRO 75 1HD PRO 75 12.406 1.460 -15.345 422 HD3 PRO 75 2HD PRO 75 11.761 1.190 -13.676 423 H CYS 76 H CYS 76 12.278 3.988 -16.505 424 HA CYS 76 HA CYS 76 13.570 6.269 -17.595 425 HB2 CYS 76 1HB CYS 76 12.776 4.363 -18.958 426 HB3 CYS 76 2HB CYS 76 11.108 4.793 -18.607 427 H SER 77 H SER 77 10.485 5.880 -15.982 428 HA SER 77 HA SER 77 9.349 8.337 -17.061 429 HB2 SER 77 1HB SER 77 7.464 7.860 -15.656 430 HB3 SER 77 2HB SER 77 7.999 6.344 -16.366 431 HG SER 77 HG SER 77 9.278 6.131 -14.393 432 H LEU 78 H LEU 78 11.631 7.657 -14.681 433 HA LEU 78 HA LEU 78 10.892 10.032 -13.055 434 HB2 LEU 78 1HB LEU 78 13.025 7.920 -12.582 435 HB3 LEU 78 2HB LEU 78 12.582 9.216 -11.467 436 HG LEU 78 HG LEU 78 10.796 6.904 -12.306 437 HD11 LEU 78 1HD1 LEU 78 11.103 6.174 -9.983 438 HD12 LEU 78 2HD1 LEU 78 12.648 6.229 -10.864 439 HD13 LEU 78 3HD1 LEU 78 12.235 7.519 -9.709 440 HD21 LEU 78 1HD2 LEU 78 9.278 7.794 -10.570 441 HD22 LEU 78 2HD2 LEU 78 10.384 9.164 -10.304 442 HD23 LEU 78 3HD2 LEU 78 9.543 8.989 -11.863 443 H GLU 79 H GLU 79 12.524 11.583 -12.466 444 HA GLU 79 HA GLU 79 14.078 12.305 -14.856 445 HB2 GLU 79 1HB GLU 79 13.562 13.778 -12.242 446 HB3 GLU 79 2HB GLU 79 14.479 14.439 -13.587 447 HG2 GLU 79 1HG GLU 79 12.478 14.252 -15.027 448 HG3 GLU 79 2HG GLU 79 11.564 13.632 -13.654 449 H VAL 80 H VAL 80 16.261 13.378 -14.451 450 HA VAL 80 HA VAL 80 18.066 11.384 -13.519 451 HB VAL 80 HB VAL 80 18.496 14.354 -14.051 452 HG11 VAL 80 1HG1 VAL 80 20.878 13.814 -14.207 453 HG12 VAL 80 2HG1 VAL 80 20.231 13.512 -12.577 454 HG13 VAL 80 3HG1 VAL 80 20.534 12.150 -13.682 455 HG21 VAL 80 1HG2 VAL 80 19.421 13.536 -16.196 456 HG22 VAL 80 2HG2 VAL 80 19.025 11.865 -15.727 457 HG23 VAL 80 3HG2 VAL 80 17.722 13.046 -15.999 458 H ASP 81 H ASP 81 18.817 10.892 -11.577 459 HA ASP 81 HA ASP 81 19.070 13.012 -9.539 460 HB2 ASP 81 1HB ASP 81 16.807 12.047 -9.161 461 HB3 ASP 81 2HB ASP 81 17.516 10.445 -9.015 462 H TYR 82 H TYR 82 21.256 12.850 -9.524 463 HA TYR 82 HA TYR 82 22.462 10.155 -9.252 464 HB2 TYR 82 1HB TYR 82 24.624 11.418 -9.600 465 HB3 TYR 82 2HB TYR 82 23.500 11.494 -10.950 466 HD1 TYR 82 HD1 TYR 82 24.943 13.378 -8.119 467 HD2 TYR 82 HD2 TYR 82 22.513 13.554 -11.651 468 HE1 TYR 82 HE1 TYR 82 25.052 15.847 -8.071 469 HE2 TYR 82 HE2 TYR 82 22.622 16.023 -11.603 470 HH TYR 82 HH TYR 82 24.427 17.736 -9.060 471 H GLY 83 H GLY 83 20.981 11.649 -7.078 472 HA2 GLY 83 1HA GLY 83 21.187 11.120 -4.789 473 HA3 GLY 83 2HA GLY 83 22.872 10.703 -5.037 474 H VAL 84 H VAL 84 22.614 12.030 -2.852 475 HA VAL 84 HA VAL 84 23.357 14.845 -3.527 476 HB VAL 84 HB VAL 84 22.389 15.508 -1.316 477 HG11 VAL 84 1HG1 VAL 84 20.043 15.412 -2.005 478 HG12 VAL 84 2HG1 VAL 84 21.118 15.836 -3.358 479 HG13 VAL 84 3HG1 VAL 84 20.453 14.190 -3.230 480 HG21 VAL 84 1HG2 VAL 84 20.854 13.930 -0.188 481 HG22 VAL 84 2HG2 VAL 84 21.297 12.664 -1.358 482 HG23 VAL 84 3HG2 VAL 84 22.516 13.295 -0.225 483 H GLY 85 H GLY 85 25.188 12.710 -3.388 484 HA2 GLY 85 1HA GLY 85 26.388 12.848 -0.670 485 HA3 GLY 85 2HA GLY 85 26.792 11.686 -1.919 486 H ARG 86 H ARG 86 28.966 12.010 -2.095 487 HA ARG 86 HA ARG 86 29.861 14.690 -3.011 488 HB2 ARG 86 1HB ARG 86 31.057 13.164 -0.674 489 HB3 ARG 86 2HB ARG 86 31.828 14.535 -1.457 490 HG2 ARG 86 1HG ARG 86 29.116 14.654 -0.117 491 HG3 ARG 86 2HG ARG 86 30.657 15.099 0.655 492 HD2 ARG 86 1HD ARG 86 31.015 16.778 -1.084 493 HD3 ARG 86 2HD ARG 86 29.438 16.357 -1.792 494 HE ARG 86 HE ARG 86 29.947 17.847 0.676 495 HH11 ARG 86 1HH1 ARG 86 27.612 16.201 -1.368 496 HH12 ARG 86 2HH1 ARG 86 26.233 17.013 -0.663 497 HH21 ARG 86 1HH2 ARG 86 28.149 18.896 1.584 498 HH22 ARG 86 2HH2 ARG 86 26.536 18.539 1.008 499 H ALA 87 H ALA 87 29.838 11.364 -3.322 500 HA ALA 87 HA ALA 87 32.532 11.047 -4.386 501 HB1 ALA 87 1HB ALA 87 31.747 8.792 -5.033 502 HB2 ALA 87 2HB ALA 87 31.374 9.157 -3.331 503 HB3 ALA 87 3HB ALA 87 30.092 9.241 -4.561 504 H ASN 88 H ASN 88 32.863 10.147 -6.609 505 HA ASN 88 HA ASN 88 30.970 11.375 -8.564 506 HB2 ASN 88 1HB ASN 88 34.004 11.415 -8.708 507 HB3 ASN 88 2HB ASN 88 32.919 11.959 -9.981 508 HD21 ASN 88 1HD2 ASN 88 33.909 14.387 -6.946 509 HD22 ASN 88 2HD2 ASN 88 34.604 12.819 -7.188 510 H ILE 89 H ILE 89 30.149 9.120 -8.392 511 HA ILE 89 HA ILE 89 31.848 7.133 -9.783 512 HB ILE 89 HB ILE 89 29.132 6.856 -8.428 513 HG12 ILE 89 1HG1 ILE 89 31.826 5.811 -7.538 514 HG13 ILE 89 2HG1 ILE 89 31.133 7.321 -6.967 515 HG21 ILE 89 1HG2 ILE 89 29.480 4.435 -8.706 516 HG22 ILE 89 2HG2 ILE 89 29.401 5.255 -10.282 517 HG23 ILE 89 3HG2 ILE 89 30.974 4.751 -9.621 518 HD11 ILE 89 1HD1 ILE 89 30.727 5.518 -5.388 519 HD12 ILE 89 2HD1 ILE 89 29.193 6.108 -6.072 520 HD13 ILE 89 3HD1 ILE 89 29.895 4.578 -6.649 521 HA PRO 90 HA PRO 90 29.997 8.253 -13.622 522 HB2 PRO 90 1HB PRO 90 31.197 5.553 -14.340 523 HB3 PRO 90 2HB PRO 90 31.305 7.086 -15.215 524 HG2 PRO 90 1HG PRO 90 33.406 6.304 -13.784 525 HG3 PRO 90 2HG PRO 90 32.908 7.997 -13.708 526 HD2 PRO 90 1HD PRO 90 32.360 5.746 -11.731 527 HD3 PRO 90 2HD PRO 90 32.850 7.457 -11.403 528 H ARG 91 H ARG 91 27.811 8.024 -13.378 529 HA ARG 91 HA ARG 91 26.747 5.312 -14.006 530 HB2 ARG 91 1HB ARG 91 25.537 7.248 -12.002 531 HB3 ARG 91 2HB ARG 91 24.823 5.727 -12.517 532 HG2 ARG 91 1HG ARG 91 27.497 5.937 -11.115 533 HG3 ARG 91 2HG ARG 91 25.943 5.650 -10.295 534 HD2 ARG 91 1HD ARG 91 27.160 3.917 -12.434 535 HD3 ARG 91 2HD ARG 91 27.168 3.591 -10.686 536 HE ARG 91 HE ARG 91 24.503 4.014 -11.622 537 HH11 ARG 91 1HH1 ARG 91 27.105 1.653 -11.622 538 HH12 ARG 91 2HH1 ARG 91 26.029 0.282 -11.768 539 HH21 ARG 91 1HH2 ARG 91 23.117 2.226 -11.812 540 HH22 ARG 91 2HH2 ARG 91 23.772 0.605 -11.876 541 H TRP 92 H TRP 92 24.738 5.287 -15.123 542 HA TRP 92 HA TRP 92 24.497 7.698 -16.843 543 HB2 TRP 92 1HB TRP 92 23.685 4.795 -17.223 544 HB3 TRP 92 2HB TRP 92 23.178 6.071 -18.321 545 HD1 TRP 92 HD1 TRP 92 26.278 4.075 -17.263 546 HE1 TRP 92 HE1 TRP 92 28.152 4.426 -19.010 547 HE3 TRP 92 HE3 TRP 92 24.066 7.761 -20.059 548 HZ2 TRP 92 HZ2 TRP 92 28.603 6.056 -21.271 549 HZ3 TRP 92 HZ3 TRP 92 25.273 8.675 -22.001 550 HH2 TRP 92 HH2 TRP 92 27.505 7.838 -22.605 551 H TYR 93 H TYR 93 22.670 8.850 -17.069 552 HA TYR 93 HA TYR 93 20.237 7.880 -15.649 553 HB2 TYR 93 1HB TYR 93 21.415 10.680 -15.417 554 HB3 TYR 93 2HB TYR 93 19.869 10.168 -14.755 555 HD1 TYR 93 HD1 TYR 93 23.538 9.682 -14.529 556 HD2 TYR 93 HD2 TYR 93 19.718 9.013 -12.693 557 HE1 TYR 93 HE1 TYR 93 24.663 8.970 -12.447 558 HE2 TYR 93 HE2 TYR 93 20.844 8.302 -10.611 559 HH TYR 93 HH TYR 93 22.781 7.917 -9.606 560 H TYR 94 H TYR 94 18.331 8.308 -16.592 561 HA TYR 94 HA TYR 94 18.473 9.393 -19.333 562 HB2 TYR 94 1HB TYR 94 17.269 7.268 -18.927 563 HB3 TYR 94 2HB TYR 94 16.182 8.085 -17.812 564 HD1 TYR 94 HD1 TYR 94 17.342 8.138 -21.361 565 HD2 TYR 94 HD2 TYR 94 14.210 9.056 -18.576 566 HE1 TYR 94 HE1 TYR 94 15.835 8.695 -23.239 567 HE2 TYR 94 HE2 TYR 94 12.703 9.613 -20.454 568 HH TYR 94 HH TYR 94 13.795 9.349 -23.829 569 H ASP 95 H ASP 95 18.099 11.420 -19.793 570 HA ASP 95 HA ASP 95 16.642 13.120 -17.875 571 HB2 ASP 95 1HB ASP 95 18.709 13.960 -18.971 572 HB3 ASP 95 2HB ASP 95 17.943 13.798 -20.545 573 H THR 96 H THR 96 14.515 13.192 -17.911 574 HA THR 96 HA THR 96 13.057 12.111 -20.183 575 HB THR 96 HB THR 96 11.044 12.516 -18.821 576 HG1 THR 96 HG1 THR 96 11.681 14.509 -17.883 577 HG21 THR 96 1HG2 THR 96 11.645 11.149 -16.862 578 HG22 THR 96 2HG2 THR 96 12.412 10.517 -18.337 579 HG23 THR 96 3HG2 THR 96 13.369 11.458 -17.169 580 H ASN 97 H ASN 97 14.085 15.242 -19.187 581 HA ASN 97 HA ASN 97 11.952 16.647 -20.640 582 HB2 ASN 97 1HB ASN 97 14.430 17.585 -19.167 583 HB3 ASN 97 2HB ASN 97 13.362 18.677 -20.038 584 HD21 ASN 97 1HD2 ASN 97 12.438 18.435 -16.409 585 HD22 ASN 97 2HD2 ASN 97 13.930 18.712 -17.245 586 H ASN 98 H ASN 98 15.331 15.761 -21.118 587 HA ASN 98 HA ASN 98 15.206 17.021 -23.819 588 HB2 ASN 98 1HB ASN 98 17.546 16.104 -22.121 589 HB3 ASN 98 2HB ASN 98 17.704 16.587 -23.805 590 HD21 ASN 98 1HD2 ASN 98 17.706 19.333 -20.926 591 HD22 ASN 98 2HD2 ASN 98 17.861 17.628 -20.665 592 H ALA 99 H ALA 99 14.676 14.111 -22.325 593 HA ALA 99 HA ALA 99 14.468 11.965 -23.115 594 HB1 ALA 99 1HB ALA 99 13.859 11.716 -25.499 595 HB2 ALA 99 2HB ALA 99 12.980 13.060 -24.731 596 HB3 ALA 99 3HB ALA 99 14.365 13.395 -25.796 597 H THR 100 H THR 100 16.980 12.408 -22.424 598 HA THR 100 HA THR 100 18.472 10.772 -24.361 599 HB THR 100 HB THR 100 18.950 13.099 -25.109 600 HG1 THR 100 HG1 THR 100 21.391 12.606 -24.085 601 HG21 THR 100 1HG2 THR 100 20.244 14.589 -23.634 602 HG22 THR 100 2HG2 THR 100 18.649 14.229 -22.933 603 HG23 THR 100 3HG2 THR 100 20.100 13.411 -22.310 604 H CYS 101 H CYS 101 20.205 9.662 -23.490 605 HA CYS 101 HA CYS 101 20.196 9.639 -20.511 606 HB2 CYS 101 1HB CYS 101 19.591 7.517 -21.647 607 HB3 CYS 101 2HB CYS 101 21.136 7.522 -22.485 608 H GLU 102 H GLU 102 21.867 10.433 -19.449 609 HA GLU 102 HA GLU 102 24.484 10.617 -20.873 610 HB2 GLU 102 1HB GLU 102 23.131 12.815 -19.255 611 HB3 GLU 102 2HB GLU 102 24.780 12.885 -19.860 612 HG2 GLU 102 1HG GLU 102 23.936 12.744 -22.172 613 HG3 GLU 102 2HG GLU 102 22.285 12.688 -21.560 614 H MET 103 H MET 103 26.328 10.986 -19.449 615 HA MET 103 HA MET 103 26.024 9.346 -17.016 616 HB2 MET 103 1HB MET 103 27.868 8.864 -18.593 617 HB3 MET 103 2HB MET 103 28.498 10.490 -18.373 618 HG2 MET 103 1HG MET 103 28.953 10.009 -16.005 619 HG3 MET 103 2HG MET 103 28.289 8.385 -16.200 620 HE1 MET 103 1HE MET 103 30.881 6.533 -18.348 621 HE2 MET 103 2HE MET 103 29.504 6.393 -17.227 622 HE3 MET 103 3HE MET 103 29.293 7.194 -18.803 623 H PHE 104 H PHE 104 26.031 10.049 -15.004 624 HA PHE 104 HA PHE 104 26.949 12.851 -14.518 625 HB2 PHE 104 1HB PHE 104 24.528 11.440 -13.333 626 HB3 PHE 104 2HB PHE 104 25.174 12.954 -12.722 627 HD1 PHE 104 HD1 PHE 104 23.537 11.334 -15.606 628 HD2 PHE 104 HD2 PHE 104 24.771 15.022 -13.836 629 HE1 PHE 104 HE1 PHE 104 22.173 12.578 -17.250 630 HE2 PHE 104 HE2 PHE 104 23.406 16.269 -15.477 631 HZ PHE 104 HZ PHE 104 22.107 15.046 -17.185 632 H THR 105 H THR 105 27.455 13.267 -12.197 633 HA THR 105 HA THR 105 29.185 11.065 -11.275 634 HB THR 105 HB THR 105 30.063 12.790 -9.667 635 HG1 THR 105 HG1 THR 105 29.103 14.689 -9.521 636 HG21 THR 105 1HG2 THR 105 31.159 14.181 -11.380 637 HG22 THR 105 2HG2 THR 105 31.100 12.476 -11.888 638 HG23 THR 105 3HG2 THR 105 29.961 13.652 -12.583 639 H TYR 106 H TYR 106 27.905 9.552 -10.326 640 HA TYR 106 HA TYR 106 25.756 10.152 -8.537 641 HB2 TYR 106 1HB TYR 106 25.989 7.974 -9.685 642 HB3 TYR 106 2HB TYR 106 27.455 7.636 -8.775 643 HD1 TYR 106 HD1 TYR 106 24.054 8.921 -7.833 644 HD2 TYR 106 HD2 TYR 106 27.120 5.982 -7.225 645 HE1 TYR 106 HE1 TYR 106 22.705 7.884 -6.041 646 HE2 TYR 106 HE2 TYR 106 25.771 4.945 -5.433 647 HH TYR 106 HH TYR 106 22.611 6.286 -4.499 648 H GLY 107 H GLY 107 25.678 10.716 -6.482 649 HA2 GLY 107 1HA GLY 107 28.210 11.504 -5.259 650 HA3 GLY 107 2HA GLY 107 26.602 11.842 -4.647 651 H GLY 108 H GLY 108 25.916 8.889 -4.945 652 HA2 GLY 108 1HA GLY 108 26.690 6.804 -3.957 653 HA3 GLY 108 2HA GLY 108 27.653 7.722 -2.814 654 H ILE 109 H ILE 109 24.915 9.473 -2.966 655 HA ILE 109 HA ILE 109 23.805 8.057 -0.585 656 HB ILE 109 HB ILE 109 23.684 11.014 -1.321 657 HG12 ILE 109 1HG1 ILE 109 25.917 10.338 -0.651 658 HG13 ILE 109 2HG1 ILE 109 25.171 11.343 0.581 659 HG21 ILE 109 1HG2 ILE 109 22.703 11.293 0.920 660 HG22 ILE 109 2HG2 ILE 109 21.679 10.257 -0.102 661 HG23 ILE 109 3HG2 ILE 109 22.713 9.528 1.149 662 HD11 ILE 109 1HD1 ILE 109 26.390 9.492 1.580 663 HD12 ILE 109 2HD1 ILE 109 24.647 9.346 1.912 664 HD13 ILE 109 3HD1 ILE 109 25.405 8.327 0.665 665 H THR 110 H THR 110 21.990 7.009 -0.923 666 HA THR 110 HA THR 110 19.967 6.402 -1.870 667 HB THR 110 HB THR 110 18.238 8.136 -1.807 668 HG1 THR 110 HG1 THR 110 20.186 9.728 -2.552 669 HG21 THR 110 1HG2 THR 110 18.564 8.947 0.497 670 HG22 THR 110 2HG2 THR 110 19.051 7.241 0.348 671 HG23 THR 110 3HG2 THR 110 20.288 8.518 0.408 672 H GLY 111 H GLY 111 18.618 8.818 -3.477 673 HA2 GLY 111 1HA GLY 111 18.798 9.349 -5.869 674 HA3 GLY 111 2HA GLY 111 19.733 7.883 -6.092 675 H ASN 112 H ASN 112 17.600 8.315 -7.720 676 HA ASN 112 HA ASN 112 15.370 6.695 -6.581 677 HB2 ASN 112 1HB ASN 112 13.989 7.613 -8.360 678 HB3 ASN 112 2HB ASN 112 14.751 8.914 -7.456 679 HD21 ASN 112 1HD2 ASN 112 15.196 10.026 -10.827 680 HD22 ASN 112 2HD2 ASN 112 14.023 9.965 -9.554 681 H LYS 113 H LYS 113 14.146 5.697 -8.723 682 HA LYS 113 HA LYS 113 15.730 3.372 -9.229 683 HB2 LYS 113 1HB LYS 113 13.171 4.378 -10.531 684 HB3 LYS 113 2HB LYS 113 13.876 2.800 -10.854 685 HG2 LYS 113 1HG LYS 113 13.572 2.136 -8.531 686 HG3 LYS 113 2HG LYS 113 12.978 3.751 -8.119 687 HD2 LYS 113 1HD LYS 113 11.024 2.452 -8.396 688 HD3 LYS 113 2HD LYS 113 11.166 3.366 -9.905 689 HE2 LYS 113 1HE LYS 113 12.251 1.399 -10.972 690 HE3 LYS 113 2HE LYS 113 12.052 0.489 -9.472 691 HZ1 LYS 113 1HZ LYS 113 10.306 0.019 -11.028 692 HZ2 LYS 113 2HZ LYS 113 9.678 0.758 -9.694 693 HZ3 LYS 113 3HZ LYS 113 9.864 1.607 -11.095 694 H ASN 114 H ASN 114 15.320 6.378 -10.955 695 HA ASN 114 HA ASN 114 16.328 5.447 -13.489 696 HB2 ASN 114 1HB ASN 114 15.012 7.538 -13.192 697 HB3 ASN 114 2HB ASN 114 16.361 8.247 -12.316 698 HD21 ASN 114 1HD2 ASN 114 16.381 9.199 -15.954 699 HD22 ASN 114 2HD2 ASN 114 15.151 9.201 -14.735 700 H ASN 115 H ASN 115 18.112 4.152 -12.957 701 HA ASN 115 HA ASN 115 20.604 5.665 -12.966 702 HB2 ASN 115 1HB ASN 115 20.076 5.556 -10.534 703 HB3 ASN 115 2HB ASN 115 20.040 3.801 -10.637 704 HD21 ASN 115 1HD2 ASN 115 23.387 5.074 -9.495 705 HD22 ASN 115 2HD2 ASN 115 21.759 5.411 -9.009 706 H PHE 116 H PHE 116 21.710 4.748 -14.523 707 HA PHE 116 HA PHE 116 21.234 1.833 -14.990 708 HB2 PHE 116 1HB PHE 116 21.613 3.995 -17.099 709 HB3 PHE 116 2HB PHE 116 21.309 2.291 -17.398 710 HD1 PHE 116 HD1 PHE 116 19.847 5.499 -16.543 711 HD2 PHE 116 HD2 PHE 116 19.100 1.304 -16.860 712 HE1 PHE 116 HE1 PHE 116 17.414 5.933 -16.532 713 HE2 PHE 116 HE2 PHE 116 16.665 1.735 -16.852 714 HZ PHE 116 HZ PHE 116 15.823 4.051 -16.686 715 H GLU 117 H GLU 117 22.897 0.722 -16.224 716 HA GLU 117 HA GLU 117 25.587 1.722 -15.478 717 HB2 GLU 117 1HB GLU 117 24.645 -0.992 -16.490 718 HB3 GLU 117 2HB GLU 117 26.317 -0.598 -16.115 719 HG2 GLU 117 1HG GLU 117 25.674 -0.145 -13.772 720 HG3 GLU 117 2HG GLU 117 24.010 -0.580 -14.157 721 H SER 118 H SER 118 23.504 1.698 -18.129 722 HA SER 118 HA SER 118 25.632 2.733 -19.841 723 HB2 SER 118 1HB SER 118 25.408 1.144 -21.626 724 HB3 SER 118 2HB SER 118 25.786 0.255 -20.159 725 HG SER 118 HG SER 118 24.021 -0.740 -20.362 726 H GLU 119 H GLU 119 24.826 3.640 -21.843 727 HA GLU 119 HA GLU 119 22.234 4.881 -21.512 728 HB2 GLU 119 1HB GLU 119 22.701 5.972 -23.632 729 HB3 GLU 119 2HB GLU 119 24.156 5.993 -22.646 730 HG2 GLU 119 1HG GLU 119 23.747 3.807 -24.664 731 HG3 GLU 119 2HG GLU 119 24.283 5.405 -25.178 732 H GLU 120 H GLU 120 23.321 1.930 -22.900 733 HA GLU 120 HA GLU 120 21.076 1.563 -24.702 734 HB2 GLU 120 1HB GLU 120 23.031 -0.406 -23.451 735 HB3 GLU 120 2HB GLU 120 21.810 -0.856 -24.632 736 HG2 GLU 120 1HG GLU 120 24.090 1.084 -25.075 737 HG3 GLU 120 2HG GLU 120 23.996 -0.575 -25.662 738 H GLU 121 H GLU 121 21.773 0.752 -21.323 739 HA GLU 121 HA GLU 121 19.339 -0.684 -20.839 740 HB2 GLU 121 1HB GLU 121 21.187 0.902 -19.019 741 HB3 GLU 121 2HB GLU 121 19.774 0.043 -18.422 742 HG2 GLU 121 1HG GLU 121 20.693 -2.075 -19.253 743 HG3 GLU 121 2HG GLU 121 22.099 -1.223 -19.887 744 H CYS 122 H CYS 122 20.190 2.765 -20.689 745 HA CYS 122 HA CYS 122 17.706 3.775 -19.806 746 HB2 CYS 122 1HB CYS 122 19.734 4.888 -21.774 747 HB3 CYS 122 2HB CYS 122 18.316 5.790 -21.258 748 H LYS 123 H LYS 123 18.800 2.964 -23.110 749 HA LYS 123 HA LYS 123 16.427 3.792 -24.440 750 HB2 LYS 123 1HB LYS 123 18.509 1.696 -25.159 751 HB3 LYS 123 2HB LYS 123 17.201 2.164 -26.238 752 HG2 LYS 123 1HG LYS 123 18.035 4.447 -26.340 753 HG3 LYS 123 2HG LYS 123 19.285 4.076 -25.144 754 HD2 LYS 123 1HD LYS 123 20.204 2.348 -26.717 755 HD3 LYS 123 2HD LYS 123 19.021 2.874 -27.923 756 HE2 LYS 123 1HE LYS 123 19.976 5.126 -27.932 757 HE3 LYS 123 2HE LYS 123 21.098 4.688 -26.641 758 HZ1 LYS 123 1HZ LYS 123 22.141 4.602 -28.784 759 HZ2 LYS 123 2HZ LYS 123 22.093 3.089 -28.129 760 HZ3 LYS 123 3HZ LYS 123 21.045 3.500 -29.335 761 H GLU 124 H GLU 124 17.400 0.544 -23.285 762 HA GLU 124 HA GLU 124 15.042 -0.691 -24.392 763 HB2 GLU 124 1HB GLU 124 17.062 -1.684 -22.341 764 HB3 GLU 124 2HB GLU 124 15.796 -2.682 -23.044 765 HG2 GLU 124 1HG GLU 124 18.068 -1.355 -24.537 766 HG3 GLU 124 2HG GLU 124 17.931 -3.065 -24.134 767 H THR 125 H THR 125 15.907 0.578 -21.212 768 HA THR 125 HA THR 125 13.643 -0.429 -19.793 769 HB THR 125 HB THR 125 15.263 2.115 -19.345 770 HG1 THR 125 HG1 THR 125 16.580 0.379 -19.036 771 HG21 THR 125 1HG2 THR 125 14.355 2.034 -17.056 772 HG22 THR 125 2HG2 THR 125 13.051 2.227 -18.252 773 HG23 THR 125 3HG2 THR 125 13.343 0.641 -17.502 774 H CYS 126 H CYS 126 14.149 2.577 -21.635 775 HA CYS 126 HA CYS 126 11.537 3.645 -21.079 776 HB2 CYS 126 1HB CYS 126 13.538 4.206 -23.297 777 HB3 CYS 126 2HB CYS 126 12.031 5.090 -23.111 778 H LYS 127 H LYS 127 12.847 1.515 -23.577 779 HA LYS 127 HA LYS 127 10.523 1.429 -25.235 780 HB2 LYS 127 1HB LYS 127 12.712 -0.607 -24.689 781 HB3 LYS 127 2HB LYS 127 11.432 -0.876 -25.863 782 HG2 LYS 127 1HG LYS 127 12.158 1.097 -27.136 783 HG3 LYS 127 2HG LYS 127 13.425 1.409 -25.941 784 HD2 LYS 127 1HD LYS 127 14.369 -0.870 -26.434 785 HD3 LYS 127 2HD LYS 127 13.171 -1.039 -27.725 786 HE2 LYS 127 1HE LYS 127 14.081 0.951 -28.853 787 HE3 LYS 127 2HE LYS 127 15.254 1.170 -27.551 788 HZ1 LYS 127 1HZ LYS 127 16.215 0.052 -29.426 789 HZ2 LYS 127 2HZ LYS 127 16.199 -0.960 -28.123 790 HZ3 LYS 127 3HZ LYS 127 15.104 -1.164 -29.340 791 H GLY 128 H GLY 128 11.465 -0.428 -22.353 792 HA2 GLY 128 1HA GLY 128 9.521 -0.841 -20.805 793 HA3 GLY 128 2HA GLY 128 8.631 -1.399 -22.209 794 H PHE 129 H PHE 129 12.058 -2.050 -21.587 795 HA PHE 129 HA PHE 129 11.363 -4.944 -21.314 796 HB2 PHE 129 1HB PHE 129 13.877 -3.640 -22.432 797 HB3 PHE 129 2HB PHE 129 13.669 -5.369 -22.198 798 HD1 PHE 129 HD1 PHE 129 13.311 -2.682 -24.458 799 HD2 PHE 129 HD2 PHE 129 11.592 -6.440 -23.376 800 HE1 PHE 129 HE1 PHE 129 12.291 -2.860 -26.703 801 HE2 PHE 129 HE2 PHE 129 10.572 -6.623 -25.621 802 HZ PHE 129 HZ PHE 129 10.921 -4.830 -27.284 803 H SER 130 H SER 130 11.393 -3.062 -19.125 804 HA SER 130 HA SER 130 13.324 -4.507 -17.431 805 HB2 SER 130 1HB SER 130 14.615 -2.565 -18.173 806 HB3 SER 130 2HB SER 130 13.318 -1.483 -17.691 807 HG SER 130 HG SER 130 15.257 -2.155 -16.255 Start of MODEL 6 1 H GLU 13 1H GLU 13 -0.464 -0.466 -0.040 2 HA GLU 13 HA GLU 13 1.671 -0.134 0.919 3 HB2 GLU 13 1HB GLU 13 1.533 0.035 -2.119 4 HB3 GLU 13 2HB GLU 13 2.985 -0.372 -1.216 5 HG2 GLU 13 1HG GLU 13 1.855 -2.355 -0.289 6 HG3 GLU 13 2HG GLU 13 0.402 -1.948 -1.200 7 H SER 14 H SER 14 3.713 1.028 0.798 8 HA SER 14 HA SER 14 3.027 3.739 1.485 9 HB2 SER 14 1HB SER 14 5.336 3.943 2.171 10 HB3 SER 14 2HB SER 14 4.723 2.379 2.685 11 HG SER 14 HG SER 14 6.774 2.935 1.142 12 H TRP 15 H TRP 15 4.412 2.217 -1.335 13 HA TRP 15 HA TRP 15 5.782 4.486 -2.397 14 HB2 TRP 15 1HB TRP 15 5.856 3.260 -4.475 15 HB3 TRP 15 2HB TRP 15 6.093 2.117 -3.161 16 HD1 TRP 15 HD1 TRP 15 4.345 0.168 -2.900 17 HE1 TRP 15 HE1 TRP 15 2.312 -0.623 -4.290 18 HE3 TRP 15 HE3 TRP 15 3.854 4.248 -5.969 19 HZ2 TRP 15 HZ2 TRP 15 0.726 0.376 -6.402 20 HZ3 TRP 15 HZ3 TRP 15 2.059 4.266 -7.654 21 HH2 TRP 15 HH2 TRP 15 0.514 2.365 -7.871 22 H VAL 16 H VAL 16 2.430 3.696 -2.185 23 HA VAL 16 HA VAL 16 1.463 5.123 -4.461 24 HB VAL 16 HB VAL 16 0.153 4.531 -1.774 25 HG11 VAL 16 1HG1 VAL 16 -1.976 4.979 -2.895 26 HG12 VAL 16 2HG1 VAL 16 -0.939 6.424 -2.831 27 HG13 VAL 16 3HG1 VAL 16 -1.097 5.508 -4.350 28 HG21 VAL 16 1HG2 VAL 16 -0.957 2.721 -3.046 29 HG22 VAL 16 2HG2 VAL 16 -0.040 3.184 -4.500 30 HG23 VAL 16 3HG2 VAL 16 0.813 2.538 -3.077 31 H SER 17 H SER 17 2.527 6.145 -1.285 32 HA SER 17 HA SER 17 1.149 8.661 -1.229 33 HB2 SER 17 1HB SER 17 3.660 7.692 0.172 34 HB3 SER 17 2HB SER 17 2.893 9.237 0.504 35 HG SER 17 HG SER 17 1.360 8.292 1.507 36 H CYS 18 H CYS 18 3.863 7.549 -3.000 37 HA CYS 18 HA CYS 18 5.187 10.103 -3.315 38 HB2 CYS 18 1HB CYS 18 5.285 7.577 -5.010 39 HB3 CYS 18 2HB CYS 18 6.337 8.968 -5.229 40 H LEU 19 H LEU 19 2.376 8.641 -4.678 41 HA LEU 19 HA LEU 19 2.369 10.645 -6.887 42 HB2 LEU 19 1HB LEU 19 0.698 8.134 -6.512 43 HB3 LEU 19 2HB LEU 19 0.589 9.242 -7.884 44 HG LEU 19 HG LEU 19 3.006 7.545 -7.166 45 HD11 LEU 19 1HD1 LEU 19 2.405 6.299 -9.193 46 HD12 LEU 19 2HD1 LEU 19 1.112 6.231 -7.972 47 HD13 LEU 19 3HD1 LEU 19 0.951 7.306 -9.382 48 HD21 LEU 19 1HD2 LEU 19 3.867 8.333 -9.345 49 HD22 LEU 19 2HD2 LEU 19 2.433 9.371 -9.536 50 HD23 LEU 19 3HD2 LEU 19 3.599 9.696 -8.232 51 H ASP 20 H ASP 20 0.947 9.804 -3.874 52 HA ASP 20 HA ASP 20 -1.599 11.083 -4.207 53 HB2 ASP 20 1HB ASP 20 0.096 10.472 -1.761 54 HB3 ASP 20 2HB ASP 20 -1.480 11.243 -1.648 55 HA PRO 21 HA PRO 21 -0.865 15.316 -4.144 56 HB2 PRO 21 1HB PRO 21 -2.823 15.505 -1.828 57 HB3 PRO 21 2HB PRO 21 -2.818 16.395 -3.355 58 HG2 PRO 21 1HG PRO 21 -4.533 14.378 -3.074 59 HG3 PRO 21 2HG PRO 21 -3.660 14.550 -4.599 60 HD2 PRO 21 1HD PRO 21 -3.089 12.682 -2.263 61 HD3 PRO 21 2HD PRO 21 -3.053 12.331 -4.038 62 H GLU 22 H GLU 22 0.303 16.934 -3.058 63 HA GLU 22 HA GLU 22 2.194 16.043 -1.165 64 HB2 GLU 22 1HB GLU 22 2.532 17.995 -2.655 65 HB3 GLU 22 2HB GLU 22 1.313 18.896 -1.765 66 HG2 GLU 22 1HG GLU 22 3.436 19.643 -1.026 67 HG3 GLU 22 2HG GLU 22 2.731 18.695 0.281 68 H GLN 23 H GLN 23 2.218 15.807 0.963 69 HA GLN 23 HA GLN 23 -0.022 16.515 2.631 70 HB2 GLN 23 1HB GLN 23 1.494 14.673 3.221 71 HB3 GLN 23 2HB GLN 23 2.847 15.788 3.344 72 HG2 GLN 23 1HG GLN 23 2.168 15.335 5.546 73 HG3 GLN 23 2HG GLN 23 1.553 16.971 5.179 74 HE21 GLN 23 1HE2 GLN 23 -1.624 16.107 6.241 75 HE22 GLN 23 2HE2 GLN 23 -0.320 17.246 6.197 76 H VAL 24 H VAL 24 -0.551 18.350 3.566 77 HA VAL 24 HA VAL 24 1.090 20.709 3.104 78 HB VAL 24 HB VAL 24 -1.503 20.303 4.654 79 HG11 VAL 24 1HG1 VAL 24 -1.721 22.740 4.604 80 HG12 VAL 24 2HG1 VAL 24 -0.296 22.218 5.532 81 HG13 VAL 24 3HG1 VAL 24 -0.098 22.870 3.887 82 HG21 VAL 24 1HG2 VAL 24 -2.514 21.393 2.676 83 HG22 VAL 24 2HG2 VAL 24 -0.912 21.475 1.904 84 HG23 VAL 24 3HG2 VAL 24 -1.668 19.895 2.223 85 H THR 25 H THR 25 2.331 21.834 4.495 86 HA THR 25 HA THR 25 3.168 20.389 6.904 87 HB THR 25 HB THR 25 4.964 22.048 7.043 88 HG1 THR 25 HG1 THR 25 4.295 23.975 6.410 89 HG21 THR 25 1HG2 THR 25 6.020 21.691 4.846 90 HG22 THR 25 2HG2 THR 25 5.228 20.204 5.420 91 HG23 THR 25 3HG2 THR 25 4.451 21.199 4.167 92 H CYS 26 H CYS 26 3.738 21.824 8.866 93 HA CYS 26 HA CYS 26 1.217 23.277 9.545 94 HB2 CYS 26 1HB CYS 26 3.096 21.774 11.408 95 HB3 CYS 26 2HB CYS 26 1.598 22.569 11.869 96 H GLU 27 H GLU 27 1.376 24.993 11.132 97 HA GLU 27 HA GLU 27 3.604 26.765 10.659 98 HB2 GLU 27 1HB GLU 27 1.321 26.839 12.669 99 HB3 GLU 27 2HB GLU 27 2.510 28.124 12.508 100 HG2 GLU 27 1HG GLU 27 1.820 28.503 10.191 101 HG3 GLU 27 2HG GLU 27 0.663 27.179 10.305 102 H SER 28 H SER 28 2.715 24.529 13.251 103 HA SER 28 HA SER 28 4.835 25.305 15.037 104 HB2 SER 28 1HB SER 28 2.922 24.061 15.853 105 HB3 SER 28 2HB SER 28 3.252 22.734 14.751 106 HG SER 28 HG SER 28 4.045 22.860 17.110 107 H GLN 29 H GLN 29 6.875 24.555 15.312 108 HA GLN 29 HA GLN 29 7.901 22.767 13.151 109 HB2 GLN 29 1HB GLN 29 9.363 24.863 14.806 110 HB3 GLN 29 2HB GLN 29 10.129 23.795 13.639 111 HG2 GLN 29 1HG GLN 29 8.799 24.778 11.836 112 HG3 GLN 29 2HG GLN 29 7.997 25.851 13.017 113 HE21 GLN 29 1HE2 GLN 29 10.355 28.299 12.301 114 HE22 GLN 29 2HE2 GLN 29 8.691 27.823 12.379 115 H GLU 30 H GLU 30 6.666 22.195 15.900 116 HA GLU 30 HA GLU 30 8.824 21.176 17.528 117 HB2 GLU 30 1HB GLU 30 5.825 20.664 17.543 118 HB3 GLU 30 2HB GLU 30 6.928 19.978 18.728 119 HG2 GLU 30 1HG GLU 30 7.569 22.218 19.467 120 HG3 GLU 30 2HG GLU 30 6.525 22.937 18.243 121 H GLY 31 H GLY 31 6.652 19.776 15.105 122 HA2 GLY 31 1HA GLY 31 8.095 17.170 15.393 123 HA3 GLY 31 2HA GLY 31 6.485 17.357 14.723 124 H THR 32 H THR 32 7.726 15.991 13.045 125 HA THR 32 HA THR 32 8.414 17.741 10.813 126 HB THR 32 HB THR 32 10.602 17.590 12.018 127 HG1 THR 32 HG1 THR 32 11.684 16.556 10.082 128 HG21 THR 32 1HG2 THR 32 11.780 15.427 12.059 129 HG22 THR 32 2HG2 THR 32 10.284 15.355 13.021 130 HG23 THR 32 3HG2 THR 32 10.336 14.623 11.401 131 H HIS 33 H HIS 33 8.602 16.628 8.800 132 HA HIS 33 HA HIS 33 8.178 13.737 8.702 133 HB2 HIS 33 1HB HIS 33 6.019 13.791 7.573 134 HB3 HIS 33 2HB HIS 33 5.877 14.490 9.180 135 HD1 HIS 33 HD1 HIS 33 5.662 17.141 9.314 136 HD2 HIS 33 HD2 HIS 33 5.353 15.598 5.405 137 HE1 HIS 33 HE1 HIS 33 4.621 18.900 7.975 138 H ALA 34 H ALA 34 8.353 12.860 6.622 139 HA ALA 34 HA ALA 34 9.678 14.730 4.727 140 HB1 ALA 34 1HB ALA 34 10.638 12.690 3.709 141 HB2 ALA 34 2HB ALA 34 11.023 12.805 5.443 142 HB3 ALA 34 3HB ALA 34 9.750 11.694 4.886 143 H SER 35 H SER 35 9.327 14.462 2.433 144 HA SER 35 HA SER 35 6.966 12.964 1.570 145 HB2 SER 35 1HB SER 35 5.711 14.858 0.751 146 HB3 SER 35 2HB SER 35 5.990 15.066 2.474 147 HG SER 35 HG SER 35 6.428 16.824 0.833 148 H TYR 36 H TYR 36 6.667 12.993 -0.744 149 HA TYR 36 HA TYR 36 9.265 13.346 -2.119 150 HB2 TYR 36 1HB TYR 36 8.065 11.180 -2.334 151 HB3 TYR 36 2HB TYR 36 6.692 12.012 -3.051 152 HD1 TYR 36 HD1 TYR 36 10.412 12.042 -3.578 153 HD2 TYR 36 HD2 TYR 36 6.501 11.698 -5.310 154 HE1 TYR 36 HE1 TYR 36 11.425 11.788 -5.818 155 HE2 TYR 36 HE2 TYR 36 7.515 11.444 -7.549 156 HH TYR 36 HH TYR 36 9.393 11.386 -8.723 157 H ASN 37 H ASN 37 9.692 15.191 -3.057 158 HA ASN 37 HA ASN 37 7.477 16.943 -3.909 159 HB2 ASN 37 1HB ASN 37 9.423 17.847 -2.643 160 HB3 ASN 37 2HB ASN 37 10.476 17.406 -3.980 161 HD21 ASN 37 1HD2 ASN 37 9.151 20.995 -4.074 162 HD22 ASN 37 2HD2 ASN 37 9.660 20.020 -2.736 163 H ARG 38 H ARG 38 6.558 16.179 -5.720 164 HA ARG 38 HA ARG 38 8.027 14.787 -7.746 165 HB2 ARG 38 1HB ARG 38 5.264 16.032 -7.711 166 HB3 ARG 38 2HB ARG 38 5.893 15.160 -9.101 167 HG2 ARG 38 1HG ARG 38 6.228 13.169 -7.575 168 HG3 ARG 38 2HG ARG 38 5.315 14.073 -6.343 169 HD2 ARG 38 1HD ARG 38 4.307 13.474 -9.111 170 HD3 ARG 38 2HD ARG 38 3.959 12.493 -7.669 171 HE ARG 38 HE ARG 38 2.880 15.123 -8.339 172 HH11 ARG 38 1HH1 ARG 38 3.337 12.663 -5.873 173 HH12 ARG 38 2HH1 ARG 38 2.019 13.239 -4.877 174 HH21 ARG 38 1HH2 ARG 38 1.171 15.861 -7.038 175 HH22 ARG 38 2HH2 ARG 38 0.792 15.048 -5.535 176 H LYS 39 H LYS 39 7.288 18.158 -7.215 177 HA LYS 39 HA LYS 39 7.664 19.049 -9.921 178 HB2 LYS 39 1HB LYS 39 7.888 20.488 -7.252 179 HB3 LYS 39 2HB LYS 39 8.048 21.301 -8.803 180 HG2 LYS 39 1HG LYS 39 5.756 20.627 -9.405 181 HG3 LYS 39 2HG LYS 39 5.594 19.795 -7.852 182 HD2 LYS 39 1HD LYS 39 5.961 21.934 -6.665 183 HD3 LYS 39 2HD LYS 39 6.125 22.767 -8.218 184 HE2 LYS 39 1HE LYS 39 3.819 22.136 -8.815 185 HE3 LYS 39 2HE LYS 39 3.650 21.264 -7.289 186 HZ1 LYS 39 1HZ LYS 39 2.692 23.445 -7.170 187 HZ2 LYS 39 2HZ LYS 39 3.971 23.342 -6.133 188 HZ3 LYS 39 3HZ LYS 39 4.128 24.156 -7.559 189 H THR 40 H THR 40 9.850 18.139 -7.388 190 HA THR 40 HA THR 40 12.124 19.219 -8.993 191 HB THR 40 HB THR 40 13.490 18.960 -6.946 192 HG1 THR 40 HG1 THR 40 11.157 17.693 -6.075 193 HG21 THR 40 1HG2 THR 40 12.421 20.723 -5.598 194 HG22 THR 40 2HG2 THR 40 12.303 21.091 -7.335 195 HG23 THR 40 3HG2 THR 40 10.888 20.460 -6.462 196 H GLY 41 H GLY 41 10.563 16.347 -7.830 197 HA2 GLY 41 1HA GLY 41 10.870 14.175 -8.681 198 HA3 GLY 41 2HA GLY 41 12.302 14.715 -9.537 199 H GLN 42 H GLN 42 11.698 15.233 -6.085 200 HA GLN 42 HA GLN 42 13.318 12.964 -5.249 201 HB2 GLN 42 1HB GLN 42 15.148 14.251 -4.250 202 HB3 GLN 42 2HB GLN 42 15.103 14.504 -5.989 203 HG2 GLN 42 1HG GLN 42 14.026 16.667 -5.682 204 HG3 GLN 42 2HG GLN 42 13.994 16.408 -3.915 205 HE21 GLN 42 1HE2 GLN 42 17.638 17.045 -5.770 206 HE22 GLN 42 2HE2 GLN 42 16.378 16.195 -6.602 207 H CYS 43 H CYS 43 13.596 12.870 -2.901 208 HA CYS 43 HA CYS 43 11.163 13.896 -1.603 209 HB2 CYS 43 1HB CYS 43 13.347 11.992 -0.683 210 HB3 CYS 43 2HB CYS 43 12.001 12.485 0.335 211 H GLU 44 H GLU 44 11.162 14.990 0.422 212 HA GLU 44 HA GLU 44 13.706 16.098 1.396 213 HB2 GLU 44 1HB GLU 44 12.942 18.438 1.280 214 HB3 GLU 44 2HB GLU 44 13.080 17.737 -0.326 215 HG2 GLU 44 1HG GLU 44 10.620 17.354 -0.329 216 HG3 GLU 44 2HG GLU 44 10.523 18.163 1.233 217 H GLU 45 H GLU 45 13.485 17.235 3.435 218 HA GLU 45 HA GLU 45 11.213 16.090 4.982 219 HB2 GLU 45 1HB GLU 45 13.498 15.474 5.723 220 HB3 GLU 45 2HB GLU 45 13.901 17.173 5.923 221 HG2 GLU 45 1HG GLU 45 12.194 17.384 7.675 222 HG3 GLU 45 2HG GLU 45 11.764 15.688 7.466 223 H GLN 46 H GLN 46 9.649 17.330 5.708 224 HA GLN 46 HA GLN 46 10.153 20.271 5.853 225 HB2 GLN 46 1HB GLN 46 7.530 18.771 5.475 226 HB3 GLN 46 2HB GLN 46 7.682 20.515 5.626 227 HG2 GLN 46 1HG GLN 46 8.958 18.868 3.434 228 HG3 GLN 46 2HG GLN 46 7.409 19.748 3.300 229 HE21 GLN 46 1HE2 GLN 46 10.771 21.613 2.372 230 HE22 GLN 46 2HE2 GLN 46 10.526 19.898 2.402 231 H LYS 47 H LYS 47 8.708 21.405 7.469 232 HA LYS 47 HA LYS 47 8.930 19.907 10.033 233 HB2 LYS 47 1HB LYS 47 8.771 22.893 9.465 234 HB3 LYS 47 2HB LYS 47 8.808 22.191 11.076 235 HG2 LYS 47 1HG LYS 47 11.036 21.238 10.620 236 HG3 LYS 47 2HG LYS 47 10.998 21.933 8.993 237 HD2 LYS 47 1HD LYS 47 10.817 24.202 9.965 238 HD3 LYS 47 2HD LYS 47 10.855 23.507 11.592 239 HE2 LYS 47 1HE LYS 47 13.101 22.587 11.160 240 HE3 LYS 47 2HE LYS 47 13.065 23.239 9.520 241 HZ1 LYS 47 1HZ LYS 47 14.271 24.660 11.008 242 HZ2 LYS 47 2HZ LYS 47 12.925 25.442 10.461 243 HZ3 LYS 47 3HZ LYS 47 12.960 24.832 11.994 244 H GLY 48 H GLY 48 7.278 19.790 11.502 245 HA2 GLY 48 1HA GLY 48 5.017 20.723 12.146 246 HA3 GLY 48 2HA GLY 48 4.585 20.590 10.452 247 H THR 49 H THR 49 2.933 19.361 12.132 248 HA THR 49 HA THR 49 3.749 16.487 12.120 249 HB THR 49 HB THR 49 2.016 16.169 13.894 250 HG1 THR 49 HG1 THR 49 0.936 18.257 13.172 251 HG21 THR 49 1HG2 THR 49 3.268 17.273 15.706 252 HG22 THR 49 2HG2 THR 49 4.376 16.556 14.512 253 HG23 THR 49 3HG2 THR 49 4.085 18.311 14.515 254 H GLU 50 H GLU 50 2.702 17.920 9.828 255 HA GLU 50 HA GLU 50 1.340 17.299 8.074 256 HB2 GLU 50 1HB GLU 50 0.422 15.081 9.949 257 HB3 GLU 50 2HB GLU 50 0.022 15.190 8.241 258 HG2 GLU 50 1HG GLU 50 2.369 14.950 7.637 259 HG3 GLU 50 2HG GLU 50 2.832 14.948 9.337 260 H CYS 51 H CYS 51 0.082 19.079 7.951 261 HA CYS 51 HA CYS 51 -2.445 19.027 9.550 262 HB2 CYS 51 1HB CYS 51 -0.794 21.414 8.636 263 HB3 CYS 51 2HB CYS 51 -2.402 21.538 9.335 264 H GLY 52 H GLY 52 -3.091 17.679 7.612 265 HA2 GLY 52 1HA GLY 52 -4.889 17.798 6.061 266 HA3 GLY 52 2HA GLY 52 -4.570 19.505 5.817 267 H GLY 53 H GLY 53 -4.993 18.353 3.555 268 HA2 GLY 53 1HA GLY 53 -3.748 18.495 1.483 269 HA3 GLY 53 2HA GLY 53 -2.299 17.987 2.330 270 H GLY 54 H GLY 54 -1.925 16.322 0.812 271 HA2 GLY 54 1HA GLY 54 -3.932 14.146 0.623 272 HA3 GLY 54 2HA GLY 54 -2.479 14.306 -0.346 273 H GLU 55 H GLU 55 -2.070 12.057 0.149 274 HA GLU 55 HA GLU 55 -1.272 11.523 2.966 275 HB2 GLU 55 1HB GLU 55 -1.770 9.624 0.637 276 HB3 GLU 55 2HB GLU 55 -1.262 9.124 2.244 277 HG2 GLU 55 1HG GLU 55 -3.840 10.580 1.618 278 HG3 GLU 55 2HG GLU 55 -3.680 8.838 1.825 279 H ASN 56 H ASN 56 0.184 12.896 0.530 280 HA ASN 56 HA ASN 56 2.559 11.262 0.202 281 HB2 ASN 56 1HB ASN 56 1.799 12.968 -1.454 282 HB3 ASN 56 2HB ASN 56 2.180 14.233 -0.293 283 HD21 ASN 56 1HD2 ASN 56 5.054 13.981 -2.540 284 HD22 ASN 56 2HD2 ASN 56 3.383 14.428 -2.634 285 H HIS 57 H HIS 57 2.915 10.754 2.455 286 HA HIS 57 HA HIS 57 4.919 12.623 3.548 287 HB2 HIS 57 1HB HIS 57 3.942 12.613 5.810 288 HB3 HIS 57 2HB HIS 57 2.899 13.430 4.655 289 HD2 HIS 57 HD2 HIS 57 2.936 9.718 6.335 290 HE1 HIS 57 HE1 HIS 57 -1.017 11.021 5.482 291 HE2 HIS 57 HE2 HIS 57 0.499 9.148 6.515 292 H PHE 58 H PHE 58 6.376 11.684 4.976 293 HA PHE 58 HA PHE 58 6.145 8.740 5.313 294 HB2 PHE 58 1HB PHE 58 8.565 10.139 4.105 295 HB3 PHE 58 2HB PHE 58 8.468 8.433 4.512 296 HD1 PHE 58 HD1 PHE 58 7.451 11.032 2.157 297 HD2 PHE 58 HD2 PHE 58 7.107 6.900 3.186 298 HE1 PHE 58 HE1 PHE 58 6.550 10.548 -0.094 299 HE2 PHE 58 HE2 PHE 58 6.209 6.411 0.935 300 HZ PHE 58 HZ PHE 58 5.930 8.237 -0.705 301 H GLU 59 H GLU 59 7.638 7.845 6.863 302 HA GLU 59 HA GLU 59 7.713 9.451 9.232 303 HB2 GLU 59 1HB GLU 59 9.005 6.785 8.542 304 HB3 GLU 59 2HB GLU 59 9.086 7.509 10.142 305 HG2 GLU 59 1HG GLU 59 6.630 7.453 10.294 306 HG3 GLU 59 2HG GLU 59 6.548 6.730 8.690 307 H THR 60 H THR 60 10.136 8.628 6.796 308 HA THR 60 HA THR 60 11.783 10.865 7.726 309 HB THR 60 HB THR 60 12.547 8.915 9.143 310 HG1 THR 60 HG1 THR 60 14.212 10.230 8.973 311 HG21 THR 60 1HG2 THR 60 13.868 7.154 8.036 312 HG22 THR 60 2HG2 THR 60 12.179 7.131 7.473 313 HG23 THR 60 3HG2 THR 60 13.450 7.834 6.446 314 H LEU 61 H LEU 61 13.961 10.778 6.350 315 HA LEU 61 HA LEU 61 12.946 11.269 3.698 316 HB2 LEU 61 1HB LEU 61 14.737 12.613 4.774 317 HB3 LEU 61 2HB LEU 61 15.814 11.215 4.707 318 HG LEU 61 HG LEU 61 15.731 11.281 2.231 319 HD11 LEU 61 1HD1 LEU 61 14.696 13.208 1.116 320 HD12 LEU 61 2HD1 LEU 61 13.493 12.229 1.988 321 HD13 LEU 61 3HD1 LEU 61 14.058 13.769 2.678 322 HD21 LEU 61 1HD2 LEU 61 17.044 13.361 1.990 323 HD22 LEU 61 2HD2 LEU 61 16.439 13.926 3.566 324 HD23 LEU 61 3HD2 LEU 61 17.489 12.492 3.479 325 H LEU 62 H LEU 62 15.009 8.763 5.138 326 HA LEU 62 HA LEU 62 15.833 7.571 2.682 327 HB2 LEU 62 1HB LEU 62 15.542 6.429 5.480 328 HB3 LEU 62 2HB LEU 62 16.271 5.546 4.134 329 HG LEU 62 HG LEU 62 17.320 8.171 5.249 330 HD11 LEU 62 1HD1 LEU 62 19.090 6.784 6.233 331 HD12 LEU 62 2HD1 LEU 62 17.487 6.363 6.882 332 HD13 LEU 62 3HD1 LEU 62 18.257 5.318 5.664 333 HD21 LEU 62 1HD2 LEU 62 19.297 7.615 3.874 334 HD22 LEU 62 2HD2 LEU 62 18.468 6.159 3.270 335 HD23 LEU 62 3HD2 LEU 62 17.840 7.775 2.864 336 H LYS 63 H LYS 63 12.996 7.086 4.737 337 HA LYS 63 HA LYS 63 12.111 4.719 3.304 338 HB2 LYS 63 1HB LYS 63 10.754 6.563 5.303 339 HB3 LYS 63 2HB LYS 63 9.946 5.176 4.587 340 HG2 LYS 63 1HG LYS 63 11.713 3.694 5.529 341 HG3 LYS 63 2HG LYS 63 12.439 5.106 6.310 342 HD2 LYS 63 1HD LYS 63 10.355 5.504 7.564 343 HD3 LYS 63 2HD LYS 63 9.597 4.121 6.761 344 HE2 LYS 63 1HE LYS 63 11.368 2.642 7.729 345 HE3 LYS 63 2HE LYS 63 12.016 4.033 8.601 346 HZ1 LYS 63 1HZ LYS 63 10.551 2.739 9.968 347 HZ2 LYS 63 2HZ LYS 63 9.905 4.238 9.725 348 HZ3 LYS 63 3HZ LYS 63 9.301 2.937 8.911 349 H CYS 64 H CYS 64 11.556 8.182 3.051 350 HA CYS 64 HA CYS 64 9.418 8.097 1.169 351 HB2 CYS 64 1HB CYS 64 10.178 10.167 2.306 352 HB3 CYS 64 2HB CYS 64 11.685 10.113 1.403 353 H ASN 65 H ASN 65 12.957 8.327 0.650 354 HA ASN 65 HA ASN 65 12.808 8.120 -2.197 355 HB2 ASN 65 1HB ASN 65 15.011 7.582 -0.195 356 HB3 ASN 65 2HB ASN 65 15.247 7.341 -1.921 357 HD21 ASN 65 1HD2 ASN 65 16.226 10.805 -0.766 358 HD22 ASN 65 2HD2 ASN 65 16.537 9.227 -0.121 359 H GLU 66 H GLU 66 13.204 5.666 0.342 360 HA GLU 66 HA GLU 66 13.593 3.442 -1.377 361 HB2 GLU 66 1HB GLU 66 13.945 3.369 1.075 362 HB3 GLU 66 2HB GLU 66 12.217 3.554 1.338 363 HG2 GLU 66 1HG GLU 66 11.798 1.405 0.244 364 HG3 GLU 66 2HG GLU 66 13.519 1.223 -0.087 365 H SER 67 H SER 67 10.582 4.773 0.021 366 HA SER 67 HA SER 67 8.852 2.806 -1.070 367 HB2 SER 67 1HB SER 67 8.339 5.707 -0.341 368 HB3 SER 67 2HB SER 67 7.075 4.553 -0.738 369 HG SER 67 HG SER 67 8.859 4.578 1.413 370 H CYS 68 H CYS 68 9.926 5.948 -2.356 371 HA CYS 68 HA CYS 68 8.243 5.870 -4.679 372 HB2 CYS 68 1HB CYS 68 10.830 7.361 -4.106 373 HB3 CYS 68 2HB CYS 68 9.876 7.595 -5.564 374 H ASN 69 H ASN 69 11.468 4.634 -3.956 375 HA ASN 69 HA ASN 69 12.025 3.844 -6.696 376 HB2 ASN 69 1HB ASN 69 13.246 3.076 -4.030 377 HB3 ASN 69 2HB ASN 69 13.805 2.421 -5.563 378 HD21 ASN 69 1HD2 ASN 69 15.878 5.354 -4.650 379 HD22 ASN 69 2HD2 ASN 69 15.471 3.847 -3.901 380 H ASP 70 H ASP 70 10.308 2.456 -4.002 381 HA ASP 70 HA ASP 70 10.300 -0.235 -5.161 382 HB2 ASP 70 1HB ASP 70 8.866 1.013 -2.789 383 HB3 ASP 70 2HB ASP 70 8.608 -0.652 -3.292 384 H ALA 71 H ALA 71 8.677 2.625 -5.805 385 HA ALA 71 HA ALA 71 6.071 1.651 -6.447 386 HB1 ALA 71 1HB ALA 71 5.916 3.652 -7.893 387 HB2 ALA 71 2HB ALA 71 6.583 4.046 -6.291 388 HB3 ALA 71 3HB ALA 71 7.664 3.918 -7.698 389 HA PRO 72 HA PRO 72 6.825 -0.782 -9.925 390 HB2 PRO 72 1HB PRO 72 4.358 -0.740 -11.141 391 HB3 PRO 72 2HB PRO 72 4.647 -1.579 -9.612 392 HG2 PRO 72 1HG PRO 72 3.506 1.209 -10.076 393 HG3 PRO 72 2HG PRO 72 2.879 -0.069 -9.030 394 HD2 PRO 72 1HD PRO 72 4.405 1.947 -8.026 395 HD3 PRO 72 2HD PRO 72 4.530 0.263 -7.376 396 H LYS 73 H LYS 73 5.952 2.541 -10.175 397 HA LYS 73 HA LYS 73 5.800 2.963 -12.953 398 HB2 LYS 73 1HB LYS 73 5.408 4.688 -11.163 399 HB3 LYS 73 2HB LYS 73 7.146 4.780 -10.916 400 HG2 LYS 73 1HG LYS 73 7.480 5.622 -13.167 401 HG3 LYS 73 2HG LYS 73 5.767 5.392 -13.545 402 HD2 LYS 73 1HD LYS 73 5.178 7.014 -11.746 403 HD3 LYS 73 2HD LYS 73 6.902 7.277 -11.446 404 HE2 LYS 73 1HE LYS 73 7.204 8.116 -13.727 405 HE3 LYS 73 2HE LYS 73 5.515 7.770 -14.107 406 HZ1 LYS 73 1HZ LYS 73 5.845 10.071 -13.572 407 HZ2 LYS 73 2HZ LYS 73 4.872 9.371 -12.439 408 HZ3 LYS 73 3HZ LYS 73 6.450 9.695 -12.085 409 HA PRO 74 HA PRO 74 9.692 1.489 -14.322 410 HB2 PRO 74 1HB PRO 74 8.922 3.249 -16.681 411 HB3 PRO 74 2HB PRO 74 9.527 1.587 -16.686 412 HG2 PRO 74 1HG PRO 74 6.923 1.977 -17.059 413 HG3 PRO 74 2HG PRO 74 7.441 0.676 -15.984 414 HD2 PRO 74 1HD PRO 74 6.428 3.458 -15.278 415 HD3 PRO 74 2HD PRO 74 6.034 1.871 -14.505 416 HA PRO 75 HA PRO 75 12.344 4.826 -13.163 417 HB2 PRO 75 1HB PRO 75 14.229 3.401 -15.084 418 HB3 PRO 75 2HB PRO 75 14.549 3.991 -13.448 419 HG2 PRO 75 1HG PRO 75 14.121 1.388 -13.782 420 HG3 PRO 75 2HG PRO 75 13.355 2.206 -12.417 421 HD2 PRO 75 1HD PRO 75 12.154 1.409 -15.096 422 HD3 PRO 75 2HD PRO 75 11.433 1.288 -13.441 423 H CYS 76 H CYS 76 11.841 3.816 -16.519 424 HA CYS 76 HA CYS 76 13.143 6.119 -17.699 425 HB2 CYS 76 1HB CYS 76 11.235 4.047 -18.846 426 HB3 CYS 76 2HB CYS 76 11.996 5.308 -19.804 427 H SER 77 H SER 77 10.193 5.699 -16.119 428 HA SER 77 HA SER 77 8.822 7.816 -17.671 429 HB2 SER 77 1HB SER 77 7.933 6.142 -15.299 430 HB3 SER 77 2HB SER 77 6.936 7.346 -16.101 431 HG SER 77 HG SER 77 7.503 6.105 -18.065 432 H LEU 78 H LEU 78 11.145 7.769 -15.388 433 HA LEU 78 HA LEU 78 10.047 10.170 -13.989 434 HB2 LEU 78 1HB LEU 78 12.079 8.090 -13.136 435 HB3 LEU 78 2HB LEU 78 11.918 9.645 -12.313 436 HG LEU 78 HG LEU 78 9.364 8.876 -12.135 437 HD11 LEU 78 1HD1 LEU 78 9.224 6.450 -11.783 438 HD12 LEU 78 2HD1 LEU 78 9.678 6.847 -13.457 439 HD13 LEU 78 3HD1 LEU 78 10.914 6.276 -12.311 440 HD21 LEU 78 1HD2 LEU 78 9.937 7.962 -9.911 441 HD22 LEU 78 2HD2 LEU 78 11.639 7.808 -10.412 442 HD23 LEU 78 3HD2 LEU 78 10.895 9.419 -10.270 443 H GLU 79 H GLU 79 11.550 11.892 -13.489 444 HA GLU 79 HA GLU 79 13.091 12.433 -15.942 445 HB2 GLU 79 1HB GLU 79 12.289 14.216 -13.607 446 HB3 GLU 79 2HB GLU 79 13.179 14.770 -15.018 447 HG2 GLU 79 1HG GLU 79 11.282 14.129 -16.459 448 HG3 GLU 79 2HG GLU 79 10.389 13.599 -15.035 449 H VAL 80 H VAL 80 15.186 13.450 -15.888 450 HA VAL 80 HA VAL 80 17.039 11.951 -14.315 451 HB VAL 80 HB VAL 80 17.412 14.514 -15.922 452 HG11 VAL 80 1HG1 VAL 80 19.800 13.983 -15.902 453 HG12 VAL 80 2HG1 VAL 80 19.174 14.301 -14.267 454 HG13 VAL 80 3HG1 VAL 80 19.489 12.629 -14.791 455 HG21 VAL 80 1HG2 VAL 80 18.329 12.968 -17.623 456 HG22 VAL 80 2HG2 VAL 80 17.966 11.587 -16.562 457 HG23 VAL 80 3HG2 VAL 80 16.640 12.567 -17.233 458 H ASP 81 H ASP 81 17.828 12.241 -12.343 459 HA ASP 81 HA ASP 81 18.213 14.979 -11.339 460 HB2 ASP 81 1HB ASP 81 15.922 14.333 -10.548 461 HB3 ASP 81 2HB ASP 81 16.621 12.945 -9.726 462 H TYR 82 H TYR 82 20.378 14.768 -11.252 463 HA TYR 82 HA TYR 82 21.550 12.330 -10.077 464 HB2 TYR 82 1HB TYR 82 23.729 13.455 -10.700 465 HB3 TYR 82 2HB TYR 82 22.658 13.114 -12.052 466 HD1 TYR 82 HD1 TYR 82 24.029 15.762 -9.881 467 HD2 TYR 82 HD2 TYR 82 21.662 14.871 -13.347 468 HE1 TYR 82 HE1 TYR 82 24.137 18.135 -10.566 469 HE2 TYR 82 HE2 TYR 82 21.770 17.243 -14.031 470 HH TYR 82 HH TYR 82 23.497 19.649 -12.061 471 H GLY 83 H GLY 83 20.205 14.992 -8.796 472 HA2 GLY 83 1HA GLY 83 20.165 15.371 -6.451 473 HA3 GLY 83 2HA GLY 83 21.708 14.555 -6.290 474 H VAL 84 H VAL 84 21.643 16.728 -4.877 475 HA VAL 84 HA VAL 84 23.181 18.717 -6.488 476 HB VAL 84 HB VAL 84 22.236 20.500 -4.995 477 HG11 VAL 84 1HG1 VAL 84 20.056 20.629 -6.099 478 HG12 VAL 84 2HG1 VAL 84 21.348 20.158 -7.228 479 HG13 VAL 84 3HG1 VAL 84 20.215 18.932 -6.609 480 HG21 VAL 84 1HG2 VAL 84 20.188 19.971 -3.710 481 HG22 VAL 84 2HG2 VAL 84 20.359 18.254 -4.147 482 HG23 VAL 84 3HG2 VAL 84 21.580 19.037 -3.115 483 H GLY 85 H GLY 85 24.438 16.641 -5.217 484 HA2 GLY 85 1HA GLY 85 25.257 17.596 -2.525 485 HA3 GLY 85 2HA GLY 85 25.586 16.014 -3.207 486 H ARG 86 H ARG 86 27.763 15.855 -3.189 487 HA ARG 86 HA ARG 86 29.330 17.968 -4.568 488 HB2 ARG 86 1HB ARG 86 29.862 16.971 -1.750 489 HB3 ARG 86 2HB ARG 86 31.005 17.908 -2.699 490 HG2 ARG 86 1HG ARG 86 28.240 18.876 -1.938 491 HG3 ARG 86 2HG ARG 86 29.732 19.239 -1.038 492 HD2 ARG 86 1HD ARG 86 30.663 20.277 -3.043 493 HD3 ARG 86 2HD ARG 86 29.138 19.955 -3.900 494 HE ARG 86 HE ARG 86 29.632 21.964 -1.828 495 HH11 ARG 86 1HH1 ARG 86 27.284 20.247 -3.798 496 HH12 ARG 86 2HH1 ARG 86 26.036 21.453 -3.584 497 HH21 ARG 86 1HH2 ARG 86 28.002 23.523 -1.557 498 HH22 ARG 86 2HH2 ARG 86 26.441 23.307 -2.316 499 H ALA 87 H ALA 87 28.620 14.746 -4.036 500 HA ALA 87 HA ALA 87 31.278 13.651 -4.458 501 HB1 ALA 87 1HB ALA 87 30.084 11.502 -4.732 502 HB2 ALA 87 2HB ALA 87 29.557 12.367 -3.269 503 HB3 ALA 87 3HB ALA 87 28.533 12.372 -4.723 504 H ASN 88 H ASN 88 31.754 12.185 -6.303 505 HA ASN 88 HA ASN 88 30.562 13.200 -8.841 506 HB2 ASN 88 1HB ASN 88 33.524 12.825 -8.286 507 HB3 ASN 88 2HB ASN 88 32.823 13.208 -9.853 508 HD21 ASN 88 1HD2 ASN 88 33.551 16.093 -7.148 509 HD22 ASN 88 2HD2 ASN 88 33.972 14.431 -6.902 510 H ILE 89 H ILE 89 29.365 11.139 -8.361 511 HA ILE 89 HA ILE 89 30.940 8.768 -9.230 512 HB ILE 89 HB ILE 89 28.124 8.917 -8.070 513 HG12 ILE 89 1HG1 ILE 89 29.757 9.591 -6.419 514 HG13 ILE 89 2HG1 ILE 89 29.124 7.998 -6.036 515 HG21 ILE 89 1HG2 ILE 89 28.362 6.478 -7.839 516 HG22 ILE 89 2HG2 ILE 89 28.477 6.973 -9.544 517 HG23 ILE 89 3HG2 ILE 89 29.950 6.552 -8.639 518 HD11 ILE 89 1HD1 ILE 89 31.523 8.104 -5.654 519 HD12 ILE 89 2HD1 ILE 89 31.148 6.957 -6.963 520 HD13 ILE 89 3HD1 ILE 89 31.790 8.571 -7.349 521 HA PRO 90 HA PRO 90 29.213 9.364 -13.173 522 HB2 PRO 90 1HB PRO 90 30.280 7.172 -14.428 523 HB3 PRO 90 2HB PRO 90 31.273 8.552 -13.942 524 HG2 PRO 90 1HG PRO 90 30.822 5.914 -12.478 525 HG3 PRO 90 2HG PRO 90 32.353 6.723 -12.824 526 HD2 PRO 90 1HD PRO 90 31.135 6.990 -10.405 527 HD3 PRO 90 2HD PRO 90 32.041 8.363 -11.157 528 H ARG 91 H ARG 91 27.067 8.899 -12.063 529 HA ARG 91 HA ARG 91 25.989 6.208 -12.648 530 HB2 ARG 91 1HB ARG 91 24.655 8.648 -11.424 531 HB3 ARG 91 2HB ARG 91 23.934 7.053 -11.570 532 HG2 ARG 91 1HG ARG 91 26.406 7.698 -9.945 533 HG3 ARG 91 2HG ARG 91 24.755 7.510 -9.306 534 HD2 ARG 91 1HD ARG 91 26.376 5.411 -10.728 535 HD3 ARG 91 2HD ARG 91 26.042 5.500 -8.983 536 HE ARG 91 HE ARG 91 23.598 5.514 -10.433 537 HH11 ARG 91 1HH1 ARG 91 26.244 3.380 -9.548 538 HH12 ARG 91 2HH1 ARG 91 25.261 1.934 -9.601 539 HH21 ARG 91 1HH2 ARG 91 22.332 3.630 -10.498 540 HH22 ARG 91 2HH2 ARG 91 23.047 2.074 -10.139 541 H TRP 92 H TRP 92 24.081 5.901 -13.910 542 HA TRP 92 HA TRP 92 24.012 7.804 -16.202 543 HB2 TRP 92 1HB TRP 92 23.314 4.856 -15.969 544 HB3 TRP 92 2HB TRP 92 22.899 5.821 -17.378 545 HD1 TRP 92 HD1 TRP 92 25.963 4.395 -15.521 546 HE1 TRP 92 HE1 TRP 92 27.983 4.370 -17.135 547 HE3 TRP 92 HE3 TRP 92 23.859 6.924 -19.456 548 HZ2 TRP 92 HZ2 TRP 92 28.577 5.304 -19.732 549 HZ3 TRP 92 HZ3 TRP 92 25.208 7.327 -21.476 550 HH2 TRP 92 HH2 TRP 92 27.530 6.529 -21.620 551 H TYR 93 H TYR 93 22.159 8.716 -16.922 552 HA TYR 93 HA TYR 93 19.640 8.003 -15.500 553 HB2 TYR 93 1HB TYR 93 20.679 10.831 -15.951 554 HB3 TYR 93 2HB TYR 93 19.085 10.425 -15.329 555 HD1 TYR 93 HD1 TYR 93 22.722 10.213 -14.616 556 HD2 TYR 93 HD2 TYR 93 18.739 9.908 -13.051 557 HE1 TYR 93 HE1 TYR 93 23.628 10.171 -12.317 558 HE2 TYR 93 HE2 TYR 93 19.645 9.866 -10.752 559 HH TYR 93 HH TYR 93 21.464 9.951 -9.490 560 H TYR 94 H TYR 94 17.792 8.109 -16.663 561 HA TYR 94 HA TYR 94 18.162 8.375 -19.582 562 HB2 TYR 94 1HB TYR 94 16.977 6.393 -18.736 563 HB3 TYR 94 2HB TYR 94 15.799 7.412 -17.920 564 HD1 TYR 94 HD1 TYR 94 17.188 6.704 -21.320 565 HD2 TYR 94 HD2 TYR 94 13.826 7.993 -18.987 566 HE1 TYR 94 HE1 TYR 94 15.779 6.703 -23.350 567 HE2 TYR 94 HE2 TYR 94 12.417 7.991 -21.017 568 HH TYR 94 HH TYR 94 13.749 7.058 -24.181 569 H ASP 95 H ASP 95 17.816 10.191 -20.600 570 HA ASP 95 HA ASP 95 16.225 12.319 -19.350 571 HB2 ASP 95 1HB ASP 95 18.326 12.837 -20.577 572 HB3 ASP 95 2HB ASP 95 17.614 12.213 -22.058 573 H THR 96 H THR 96 14.100 12.348 -19.484 574 HA THR 96 HA THR 96 12.750 10.610 -21.393 575 HB THR 96 HB THR 96 10.682 11.308 -20.254 576 HG1 THR 96 HG1 THR 96 11.280 13.514 -19.910 577 HG21 THR 96 1HG2 THR 96 11.246 10.568 -17.972 578 HG22 THR 96 2HG2 THR 96 12.084 9.575 -19.188 579 HG23 THR 96 3HG2 THR 96 12.972 10.839 -18.307 580 H ASN 97 H ASN 97 13.701 13.908 -21.308 581 HA ASN 97 HA ASN 97 11.596 14.786 -23.167 582 HB2 ASN 97 1HB ASN 97 13.992 16.176 -21.934 583 HB3 ASN 97 2HB ASN 97 12.942 16.944 -23.118 584 HD21 ASN 97 1HD2 ASN 97 11.865 17.727 -19.614 585 HD22 ASN 97 2HD2 ASN 97 13.383 17.806 -20.445 586 H ASN 98 H ASN 98 15.010 13.907 -23.244 587 HA ASN 98 HA ASN 98 14.983 14.348 -26.194 588 HB2 ASN 98 1HB ASN 98 17.266 14.046 -24.221 589 HB3 ASN 98 2HB ASN 98 17.487 14.052 -25.965 590 HD21 ASN 98 1HD2 ASN 98 17.260 17.484 -23.963 591 HD22 ASN 98 2HD2 ASN 98 17.454 15.926 -23.232 592 H ALA 99 H ALA 99 14.473 11.962 -23.952 593 HA ALA 99 HA ALA 99 14.369 9.673 -24.104 594 HB1 ALA 99 1HB ALA 99 13.894 8.729 -26.341 595 HB2 ALA 99 2HB ALA 99 12.936 10.196 -26.027 596 HB3 ALA 99 3HB ALA 99 14.364 10.275 -27.084 597 H THR 100 H THR 100 16.818 10.384 -23.451 598 HA THR 100 HA THR 100 18.464 8.345 -24.787 599 HB THR 100 HB THR 100 18.916 10.391 -26.133 600 HG1 THR 100 HG1 THR 100 21.306 10.306 -24.888 601 HG21 THR 100 1HG2 THR 100 20.078 12.289 -25.077 602 HG22 THR 100 2HG2 THR 100 18.457 12.067 -24.377 603 HG23 THR 100 3HG2 THR 100 19.895 11.520 -23.483 604 H CYS 101 H CYS 101 20.170 7.591 -23.560 605 HA CYS 101 HA CYS 101 19.991 8.376 -20.696 606 HB2 CYS 101 1HB CYS 101 19.592 5.998 -21.202 607 HB3 CYS 101 2HB CYS 101 21.149 5.888 -22.011 608 H GLU 102 H GLU 102 21.545 9.517 -19.782 609 HA GLU 102 HA GLU 102 24.241 9.509 -21.061 610 HB2 GLU 102 1HB GLU 102 22.666 11.955 -20.157 611 HB3 GLU 102 2HB GLU 102 24.353 11.977 -20.653 612 HG2 GLU 102 1HG GLU 102 23.700 11.189 -22.897 613 HG3 GLU 102 2HG GLU 102 22.010 11.189 -22.397 614 H MET 103 H MET 103 25.957 10.355 -19.678 615 HA MET 103 HA MET 103 25.560 9.416 -16.911 616 HB2 MET 103 1HB MET 103 27.556 8.705 -18.210 617 HB3 MET 103 2HB MET 103 28.065 10.381 -18.348 618 HG2 MET 103 1HG MET 103 28.313 10.512 -15.898 619 HG3 MET 103 2HG MET 103 27.797 8.830 -15.756 620 HE1 MET 103 1HE MET 103 30.708 6.850 -17.393 621 HE2 MET 103 2HE MET 103 29.213 6.762 -16.429 622 HE3 MET 103 3HE MET 103 29.153 7.326 -18.117 623 H PHE 104 H PHE 104 25.375 10.626 -15.165 624 HA PHE 104 HA PHE 104 26.002 13.535 -15.423 625 HB2 PHE 104 1HB PHE 104 23.590 12.262 -14.073 626 HB3 PHE 104 2HB PHE 104 24.047 13.947 -13.880 627 HD1 PHE 104 HD1 PHE 104 22.759 11.426 -16.226 628 HD2 PHE 104 HD2 PHE 104 23.685 15.554 -15.631 629 HE1 PHE 104 HE1 PHE 104 21.474 12.004 -18.257 630 HE2 PHE 104 HE2 PHE 104 22.398 16.137 -17.661 631 HZ PHE 104 HZ PHE 104 21.294 14.360 -18.975 632 H THR 105 H THR 105 26.368 14.629 -13.357 633 HA THR 105 HA THR 105 28.221 12.982 -11.804 634 HB THR 105 HB THR 105 27.500 15.933 -11.543 635 HG1 THR 105 HG1 THR 105 29.746 15.966 -12.524 636 HG21 THR 105 1HG2 THR 105 29.595 16.083 -10.255 637 HG22 THR 105 2HG2 THR 105 28.441 14.982 -9.466 638 HG23 THR 105 3HG2 THR 105 29.809 14.322 -10.391 639 H TYR 106 H TYR 106 26.921 11.537 -10.681 640 HA TYR 106 HA TYR 106 24.763 12.264 -8.983 641 HB2 TYR 106 1HB TYR 106 25.268 9.929 -9.612 642 HB3 TYR 106 2HB TYR 106 26.768 9.990 -8.698 643 HD1 TYR 106 HD1 TYR 106 23.120 10.692 -8.154 644 HD2 TYR 106 HD2 TYR 106 26.766 9.039 -6.611 645 HE1 TYR 106 HE1 TYR 106 21.920 9.932 -6.132 646 HE2 TYR 106 HE2 TYR 106 25.566 8.278 -4.588 647 HH TYR 106 HH TYR 106 23.631 8.224 -3.509 648 H GLY 107 H GLY 107 24.754 13.666 -7.391 649 HA2 GLY 107 1HA GLY 107 27.308 14.547 -6.246 650 HA3 GLY 107 2HA GLY 107 25.736 15.283 -5.992 651 H GLY 108 H GLY 108 24.815 12.327 -5.440 652 HA2 GLY 108 1HA GLY 108 25.518 10.790 -3.565 653 HA3 GLY 108 2HA GLY 108 25.801 12.233 -2.609 654 H ILE 109 H ILE 109 23.277 13.258 -4.265 655 HA ILE 109 HA ILE 109 21.321 12.353 -2.247 656 HB ILE 109 HB ILE 109 21.044 14.413 -4.478 657 HG12 ILE 109 1HG1 ILE 109 22.729 15.103 -2.888 658 HG13 ILE 109 2HG1 ILE 109 21.280 16.077 -2.699 659 HG21 ILE 109 1HG2 ILE 109 19.050 15.134 -3.228 660 HG22 ILE 109 2HG2 ILE 109 18.889 13.448 -3.770 661 HG23 ILE 109 3HG2 ILE 109 19.288 13.802 -2.072 662 HD11 ILE 109 1HD1 ILE 109 22.225 15.481 -0.539 663 HD12 ILE 109 2HD1 ILE 109 20.620 14.739 -0.746 664 HD13 ILE 109 3HD1 ILE 109 22.090 13.753 -0.937 665 H THR 110 H THR 110 19.907 10.789 -2.566 666 HA THR 110 HA THR 110 20.172 9.023 -4.709 667 HB THR 110 HB THR 110 17.727 9.453 -2.939 668 HG1 THR 110 HG1 THR 110 20.193 8.188 -2.636 669 HG21 THR 110 1HG2 THR 110 17.165 7.128 -3.529 670 HG22 THR 110 2HG2 THR 110 17.186 8.164 -4.976 671 HG23 THR 110 3HG2 THR 110 18.550 7.072 -4.644 672 H GLY 111 H GLY 111 17.757 11.616 -4.300 673 HA2 GLY 111 1HA GLY 111 16.597 12.778 -5.979 674 HA3 GLY 111 2HA GLY 111 17.376 11.787 -7.198 675 H ASN 112 H ASN 112 16.283 10.117 -8.094 676 HA ASN 112 HA ASN 112 13.893 9.038 -6.730 677 HB2 ASN 112 1HB ASN 112 12.431 9.427 -8.637 678 HB3 ASN 112 2HB ASN 112 13.035 10.956 -8.014 679 HD21 ASN 112 1HD2 ASN 112 14.305 11.960 -11.055 680 HD22 ASN 112 2HD2 ASN 112 13.714 12.348 -9.474 681 H LYS 113 H LYS 113 12.805 7.588 -8.780 682 HA LYS 113 HA LYS 113 14.485 5.301 -8.472 683 HB2 LYS 113 1HB LYS 113 11.955 5.321 -8.722 684 HB3 LYS 113 2HB LYS 113 12.187 5.617 -10.440 685 HG2 LYS 113 1HG LYS 113 13.353 3.487 -10.692 686 HG3 LYS 113 2HG LYS 113 13.243 3.196 -8.950 687 HD2 LYS 113 1HD LYS 113 10.781 3.187 -9.093 688 HD3 LYS 113 2HD LYS 113 10.873 3.515 -10.829 689 HE2 LYS 113 1HE LYS 113 12.170 1.379 -11.104 690 HE3 LYS 113 2HE LYS 113 11.899 1.041 -9.393 691 HZ1 LYS 113 1HZ LYS 113 10.287 -0.048 -10.773 692 HZ2 LYS 113 2HZ LYS 113 9.538 1.071 -9.820 693 HZ3 LYS 113 3HZ LYS 113 9.791 1.386 -11.419 694 H ASN 114 H ASN 114 14.278 7.728 -10.948 695 HA ASN 114 HA ASN 114 15.459 6.174 -13.068 696 HB2 ASN 114 1HB ASN 114 14.164 8.264 -13.432 697 HB3 ASN 114 2HB ASN 114 15.448 9.183 -12.658 698 HD21 ASN 114 1HD2 ASN 114 15.752 9.104 -16.424 699 HD22 ASN 114 2HD2 ASN 114 14.407 9.375 -15.367 700 H ASN 115 H ASN 115 17.182 5.065 -12.117 701 HA ASN 115 HA ASN 115 19.678 6.572 -12.338 702 HB2 ASN 115 1HB ASN 115 19.011 6.938 -9.960 703 HB3 ASN 115 2HB ASN 115 19.005 5.196 -9.717 704 HD21 ASN 115 1HD2 ASN 115 22.259 6.663 -8.632 705 HD22 ASN 115 2HD2 ASN 115 20.598 6.993 -8.271 706 H PHE 116 H PHE 116 20.904 5.378 -13.585 707 HA PHE 116 HA PHE 116 20.345 2.441 -13.592 708 HB2 PHE 116 1HB PHE 116 21.169 4.243 -15.904 709 HB3 PHE 116 2HB PHE 116 20.914 2.508 -16.008 710 HD1 PHE 116 HD1 PHE 116 19.319 5.779 -15.775 711 HD2 PHE 116 HD2 PHE 116 18.662 1.558 -15.846 712 HE1 PHE 116 HE1 PHE 116 16.924 6.162 -16.256 713 HE2 PHE 116 HE2 PHE 116 16.267 1.937 -16.330 714 HZ PHE 116 HZ PHE 116 15.398 4.240 -16.533 715 H GLU 117 H GLU 117 22.057 1.012 -14.151 716 HA GLU 117 HA GLU 117 24.646 1.868 -13.097 717 HB2 GLU 117 1HB GLU 117 23.692 -0.766 -14.288 718 HB3 GLU 117 2HB GLU 117 25.302 -0.511 -13.631 719 HG2 GLU 117 1HG GLU 117 22.753 -0.155 -12.042 720 HG3 GLU 117 2HG GLU 117 23.692 -1.645 -12.097 721 H SER 118 H SER 118 23.174 1.354 -16.234 722 HA SER 118 HA SER 118 25.580 2.370 -17.569 723 HB2 SER 118 1HB SER 118 25.941 0.447 -18.975 724 HB3 SER 118 2HB SER 118 26.031 -0.067 -17.297 725 HG SER 118 HG SER 118 24.569 -1.403 -17.773 726 H GLU 119 H GLU 119 25.254 2.728 -19.872 727 HA GLU 119 HA GLU 119 22.702 3.750 -20.565 728 HB2 GLU 119 1HB GLU 119 24.813 4.392 -21.701 729 HB3 GLU 119 2HB GLU 119 24.934 2.783 -22.398 730 HG2 GLU 119 1HG GLU 119 22.835 3.157 -23.631 731 HG3 GLU 119 2HG GLU 119 22.718 4.772 -22.935 732 H GLU 120 H GLU 120 24.166 0.566 -21.096 733 HA GLU 120 HA GLU 120 22.209 -0.538 -22.800 734 HB2 GLU 120 1HB GLU 120 24.334 -1.668 -22.217 735 HB3 GLU 120 2HB GLU 120 23.772 -1.900 -20.568 736 HG2 GLU 120 1HG GLU 120 21.961 -3.343 -21.369 737 HG3 GLU 120 2HG GLU 120 22.479 -3.086 -23.033 738 H GLU 121 H GLU 121 22.314 -0.482 -19.226 739 HA GLU 121 HA GLU 121 19.873 -1.873 -18.817 740 HB2 GLU 121 1HB GLU 121 21.601 -1.367 -17.057 741 HB3 GLU 121 2HB GLU 121 21.075 0.310 -17.067 742 HG2 GLU 121 1HG GLU 121 18.827 -0.387 -16.348 743 HG3 GLU 121 2HG GLU 121 19.351 -2.069 -16.342 744 H CYS 122 H CYS 122 20.540 1.613 -19.161 745 HA CYS 122 HA CYS 122 17.988 2.652 -18.764 746 HB2 CYS 122 1HB CYS 122 20.097 3.427 -20.810 747 HB3 CYS 122 2HB CYS 122 18.639 4.368 -20.530 748 H LYS 123 H LYS 123 19.332 1.413 -21.850 749 HA LYS 123 HA LYS 123 16.946 1.985 -23.332 750 HB2 LYS 123 1HB LYS 123 19.298 0.141 -23.898 751 HB3 LYS 123 2HB LYS 123 17.998 0.427 -25.047 752 HG2 LYS 123 1HG LYS 123 18.555 2.809 -25.135 753 HG3 LYS 123 2HG LYS 123 19.817 2.574 -23.917 754 HD2 LYS 123 1HD LYS 123 20.986 1.005 -25.446 755 HD3 LYS 123 2HD LYS 123 19.734 1.276 -26.666 756 HE2 LYS 123 1HE LYS 123 20.316 3.655 -26.779 757 HE3 LYS 123 2HE LYS 123 21.510 3.448 -25.495 758 HZ1 LYS 123 1HZ LYS 123 22.525 3.435 -27.653 759 HZ2 LYS 123 2HZ LYS 123 22.719 1.961 -26.938 760 HZ3 LYS 123 3HZ LYS 123 21.605 2.155 -28.138 761 H GLU 124 H GLU 124 18.178 -0.981 -21.798 762 HA GLU 124 HA GLU 124 16.089 -2.647 -22.894 763 HB2 GLU 124 1HB GLU 124 18.023 -3.060 -20.580 764 HB3 GLU 124 2HB GLU 124 16.914 -4.297 -21.156 765 HG2 GLU 124 1HG GLU 124 19.148 -3.009 -22.739 766 HG3 GLU 124 2HG GLU 124 19.139 -4.634 -22.055 767 H THR 125 H THR 125 16.525 -0.864 -19.869 768 HA THR 125 HA THR 125 14.195 -1.872 -18.548 769 HB THR 125 HB THR 125 15.578 0.833 -18.279 770 HG1 THR 125 HG1 THR 125 16.969 -0.796 -17.679 771 HG21 THR 125 1HG2 THR 125 14.458 0.936 -16.087 772 HG22 THR 125 2HG2 THR 125 13.267 0.872 -17.407 773 HG23 THR 125 3HG2 THR 125 13.607 -0.585 -16.445 774 H CYS 126 H CYS 126 14.709 0.895 -20.729 775 HA CYS 126 HA CYS 126 12.019 1.861 -20.614 776 HB2 CYS 126 1HB CYS 126 14.147 2.096 -22.774 777 HB3 CYS 126 2HB CYS 126 12.605 2.938 -22.829 778 H LYS 127 H LYS 127 13.629 -0.583 -22.615 779 HA LYS 127 HA LYS 127 11.394 -1.165 -24.302 780 HB2 LYS 127 1HB LYS 127 13.715 -2.873 -23.333 781 HB3 LYS 127 2HB LYS 127 12.516 -3.451 -24.482 782 HG2 LYS 127 1HG LYS 127 13.147 -1.704 -26.072 783 HG3 LYS 127 2HG LYS 127 14.299 -1.036 -24.908 784 HD2 LYS 127 1HD LYS 127 15.486 -3.258 -24.906 785 HD3 LYS 127 2HD LYS 127 14.402 -3.783 -26.202 786 HE2 LYS 127 1HE LYS 127 15.202 -1.962 -27.642 787 HE3 LYS 127 2HE LYS 127 16.237 -1.362 -26.344 788 HZ1 LYS 127 1HZ LYS 127 17.457 -2.695 -27.900 789 HZ2 LYS 127 2HZ LYS 127 17.442 -3.435 -26.426 790 HZ3 LYS 127 3HZ LYS 127 16.476 -3.995 -27.640 791 H GLY 128 H GLY 128 12.339 -2.332 -21.085 792 HA2 GLY 128 1HA GLY 128 10.352 -2.692 -19.574 793 HA3 GLY 128 2HA GLY 128 9.635 -3.613 -20.882 794 H PHE 129 H PHE 129 13.065 -3.685 -19.997 795 HA PHE 129 HA PHE 129 12.675 -6.478 -19.002 796 HB2 PHE 129 1HB PHE 129 15.006 -5.370 -20.617 797 HB3 PHE 129 2HB PHE 129 14.931 -6.985 -19.931 798 HD1 PHE 129 HD1 PHE 129 13.923 -4.840 -22.655 799 HD2 PHE 129 HD2 PHE 129 13.218 -8.606 -20.765 800 HE1 PHE 129 HE1 PHE 129 12.797 -5.654 -24.700 801 HE2 PHE 129 HE2 PHE 129 12.094 -9.424 -22.809 802 HZ PHE 129 HZ PHE 129 11.883 -7.946 -24.777 803 H SER 130 H SER 130 13.904 -7.166 -17.277 804 HA SER 130 HA SER 130 15.971 -5.513 -16.105 805 HB2 SER 130 1HB SER 130 14.028 -4.197 -15.403 806 HB3 SER 130 2HB SER 130 13.268 -5.630 -14.728 807 HG SER 130 HG SER 130 15.545 -4.249 -13.891 Start of MODEL 7 1 H GLU 13 1H GLU 13 2.147 -1.736 1.186 2 HA GLU 13 HA GLU 13 3.380 -0.654 -0.516 3 HB2 GLU 13 1HB GLU 13 0.442 0.125 -0.331 4 HB3 GLU 13 2HB GLU 13 1.409 0.219 -1.796 5 HG2 GLU 13 1HG GLU 13 1.767 -2.218 -1.714 6 HG3 GLU 13 2HG GLU 13 0.791 -2.308 -0.250 7 H SER 14 H SER 14 4.763 0.845 0.754 8 HA SER 14 HA SER 14 3.767 3.477 1.407 9 HB2 SER 14 1HB SER 14 6.077 4.000 1.922 10 HB3 SER 14 2HB SER 14 5.684 2.410 2.557 11 HG SER 14 HG SER 14 7.549 3.114 0.831 12 H TRP 15 H TRP 15 4.927 1.993 -1.481 13 HA TRP 15 HA TRP 15 5.874 4.311 -2.854 14 HB2 TRP 15 1HB TRP 15 5.457 3.005 -4.910 15 HB3 TRP 15 2HB TRP 15 6.294 2.050 -3.695 16 HD1 TRP 15 HD1 TRP 15 5.122 -0.139 -2.838 17 HE1 TRP 15 HE1 TRP 15 2.946 -1.385 -3.471 18 HE3 TRP 15 HE3 TRP 15 2.930 3.509 -5.700 19 HZ2 TRP 15 HZ2 TRP 15 0.619 -0.862 -4.983 20 HZ3 TRP 15 HZ3 TRP 15 0.728 3.072 -6.713 21 HH2 TRP 15 HH2 TRP 15 -0.416 0.923 -6.362 22 H VAL 16 H VAL 16 2.711 3.318 -1.916 23 HA VAL 16 HA VAL 16 1.196 4.774 -3.865 24 HB VAL 16 HB VAL 16 0.572 4.021 -0.979 25 HG11 VAL 16 1HG1 VAL 16 -1.769 4.469 -1.528 26 HG12 VAL 16 2HG1 VAL 16 -0.768 5.937 -1.630 27 HG13 VAL 16 3HG1 VAL 16 -1.276 5.100 -3.116 28 HG21 VAL 16 1HG2 VAL 16 -0.786 2.252 -2.051 29 HG22 VAL 16 2HG2 VAL 16 -0.255 2.817 -3.653 30 HG23 VAL 16 3HG2 VAL 16 0.926 2.120 -2.517 31 H SER 17 H SER 17 2.421 5.642 -0.620 32 HA SER 17 HA SER 17 1.364 8.261 -0.513 33 HB2 SER 17 1HB SER 17 3.926 7.116 0.640 34 HB3 SER 17 2HB SER 17 3.294 8.705 1.046 35 HG SER 17 HG SER 17 1.775 7.853 2.163 36 H CYS 18 H CYS 18 4.368 7.037 -1.963 37 HA CYS 18 HA CYS 18 5.566 9.487 -2.647 38 HB2 CYS 18 1HB CYS 18 6.667 7.301 -2.951 39 HB3 CYS 18 2HB CYS 18 5.533 6.887 -4.228 40 H LEU 19 H LEU 19 2.823 7.824 -4.080 41 HA LEU 19 HA LEU 19 2.901 9.666 -6.415 42 HB2 LEU 19 1HB LEU 19 1.278 7.140 -5.941 43 HB3 LEU 19 2HB LEU 19 1.266 8.105 -7.420 44 HG LEU 19 HG LEU 19 3.662 6.589 -6.323 45 HD11 LEU 19 1HD1 LEU 19 3.277 5.104 -8.240 46 HD12 LEU 19 2HD1 LEU 19 1.889 5.114 -7.126 47 HD13 LEU 19 3HD1 LEU 19 1.810 6.021 -8.656 48 HD21 LEU 19 1HD2 LEU 19 4.676 7.172 -8.501 49 HD22 LEU 19 2HD2 LEU 19 3.228 8.119 -8.922 50 HD23 LEU 19 3HD2 LEU 19 4.268 8.635 -7.573 51 H ASP 20 H ASP 20 1.724 9.805 -3.431 52 HA ASP 20 HA ASP 20 -1.027 10.631 -4.140 53 HB2 ASP 20 1HB ASP 20 0.435 10.233 -1.512 54 HB3 ASP 20 2HB ASP 20 -1.127 11.037 -1.586 55 HA PRO 21 HA PRO 21 -0.478 14.966 -4.149 56 HB2 PRO 21 1HB PRO 21 -2.471 15.043 -1.855 57 HB3 PRO 21 2HB PRO 21 -2.465 15.981 -3.354 58 HG2 PRO 21 1HG PRO 21 -4.137 13.922 -3.169 59 HG3 PRO 21 2HG PRO 21 -3.233 14.150 -4.669 60 HD2 PRO 21 1HD PRO 21 -2.676 12.236 -2.367 61 HD3 PRO 21 2HD PRO 21 -2.596 11.929 -4.148 62 H GLU 22 H GLU 22 0.829 16.443 -3.121 63 HA GLU 22 HA GLU 22 2.599 15.478 -1.147 64 HB2 GLU 22 1HB GLU 22 1.982 18.299 -2.094 65 HB3 GLU 22 2HB GLU 22 3.253 17.951 -0.930 66 HG2 GLU 22 1HG GLU 22 4.425 18.016 -2.900 67 HG3 GLU 22 2HG GLU 22 4.126 16.288 -2.728 68 H GLN 23 H GLN 23 2.750 15.603 1.018 69 HA GLN 23 HA GLN 23 0.461 16.291 2.611 70 HB2 GLN 23 1HB GLN 23 2.046 14.686 3.468 71 HB3 GLN 23 2HB GLN 23 3.382 15.817 3.305 72 HG2 GLN 23 1HG GLN 23 2.803 15.655 5.611 73 HG3 GLN 23 2HG GLN 23 2.298 17.266 5.027 74 HE21 GLN 23 1HE2 GLN 23 -0.894 16.858 6.290 75 HE22 GLN 23 2HE2 GLN 23 0.478 17.870 5.984 76 H VAL 24 H VAL 24 -0.194 18.123 3.501 77 HA VAL 24 HA VAL 24 1.203 20.589 2.789 78 HB VAL 24 HB VAL 24 -1.323 20.075 4.416 79 HG11 VAL 24 1HG1 VAL 24 -1.763 22.470 4.174 80 HG12 VAL 24 2HG1 VAL 24 -0.283 22.156 5.111 81 HG13 VAL 24 3HG1 VAL 24 -0.168 22.686 3.415 82 HG21 VAL 24 1HG2 VAL 24 -2.456 20.904 2.379 83 HG22 VAL 24 2HG2 VAL 24 -0.880 21.065 1.569 84 HG23 VAL 24 3HG2 VAL 24 -1.484 19.455 2.030 85 H THR 25 H THR 25 2.315 21.950 4.085 86 HA THR 25 HA THR 25 3.501 20.816 6.456 87 HB THR 25 HB THR 25 4.688 22.973 6.649 88 HG1 THR 25 HG1 THR 25 3.742 24.692 5.882 89 HG21 THR 25 1HG2 THR 25 5.788 22.968 4.444 90 HG22 THR 25 2HG2 THR 25 5.503 21.307 5.017 91 HG23 THR 25 3HG2 THR 25 4.446 22.014 3.772 92 H CYS 26 H CYS 26 3.672 22.125 8.516 93 HA CYS 26 HA CYS 26 1.071 23.333 9.263 94 HB2 CYS 26 1HB CYS 26 1.009 20.795 9.630 95 HB3 CYS 26 2HB CYS 26 2.241 21.032 10.861 96 H GLU 27 H GLU 27 1.197 24.820 10.858 97 HA GLU 27 HA GLU 27 3.956 25.416 11.810 98 HB2 GLU 27 1HB GLU 27 1.486 27.187 11.607 99 HB3 GLU 27 2HB GLU 27 3.035 27.705 12.258 100 HG2 GLU 27 1HG GLU 27 4.096 27.277 10.076 101 HG3 GLU 27 2HG GLU 27 2.541 26.763 9.425 102 H SER 28 H SER 28 1.658 23.585 12.915 103 HA SER 28 HA SER 28 1.236 24.760 15.566 104 HB2 SER 28 1HB SER 28 -0.504 23.377 14.539 105 HB3 SER 28 2HB SER 28 0.601 22.015 14.436 106 HG SER 28 HG SER 28 -0.760 23.055 16.563 107 H GLN 29 H GLN 29 2.935 21.881 14.274 108 HA GLN 29 HA GLN 29 4.429 21.743 16.850 109 HB2 GLN 29 1HB GLN 29 4.143 19.625 14.682 110 HB3 GLN 29 2HB GLN 29 4.938 19.418 16.235 111 HG2 GLN 29 1HG GLN 29 1.998 20.017 15.847 112 HG3 GLN 29 2HG GLN 29 2.710 18.415 16.191 113 HE21 GLN 29 1HE2 GLN 29 1.682 20.826 19.192 114 HE22 GLN 29 2HE2 GLN 29 1.151 20.994 17.551 115 H GLU 30 H GLU 30 6.699 21.065 16.743 116 HA GLU 30 HA GLU 30 8.053 22.564 14.569 117 HB2 GLU 30 1HB GLU 30 9.086 21.499 17.229 118 HB3 GLU 30 2HB GLU 30 10.061 22.377 16.059 119 HG2 GLU 30 1HG GLU 30 7.609 23.474 17.453 120 HG3 GLU 30 2HG GLU 30 9.278 23.774 17.932 121 H GLY 31 H GLY 31 7.075 19.474 15.114 122 HA2 GLY 31 1HA GLY 31 9.450 17.971 14.435 123 HA3 GLY 31 2HA GLY 31 7.800 17.378 14.405 124 H THR 32 H THR 32 10.013 17.001 12.478 125 HA THR 32 HA THR 32 8.735 18.235 10.072 126 HB THR 32 HB THR 32 10.923 18.183 8.964 127 HG1 THR 32 HG1 THR 32 12.630 17.225 9.865 128 HG21 THR 32 1HG2 THR 32 12.097 19.865 10.327 129 HG22 THR 32 2HG2 THR 32 10.347 20.184 10.294 130 HG23 THR 32 3HG2 THR 32 11.089 19.440 11.729 131 H HIS 33 H HIS 33 9.099 16.982 8.046 132 HA HIS 33 HA HIS 33 9.474 14.078 8.389 133 HB2 HIS 33 1HB HIS 33 7.293 13.465 7.499 134 HB3 HIS 33 2HB HIS 33 7.096 14.375 8.990 135 HD1 HIS 33 HD1 HIS 33 5.964 16.684 8.863 136 HD2 HIS 33 HD2 HIS 33 6.390 14.908 5.064 137 HE1 HIS 33 HE1 HIS 33 4.521 17.958 7.357 138 H ALA 34 H ALA 34 9.332 12.912 6.324 139 HA ALA 34 HA ALA 34 10.396 14.629 4.159 140 HB1 ALA 34 1HB ALA 34 11.103 12.496 3.125 141 HB2 ALA 34 2HB ALA 34 11.720 12.659 4.786 142 HB3 ALA 34 3HB ALA 34 10.327 11.604 4.454 143 H SER 35 H SER 35 9.608 14.638 2.066 144 HA SER 35 HA SER 35 7.224 13.058 1.419 145 HB2 SER 35 1HB SER 35 6.212 14.961 2.564 146 HB3 SER 35 2HB SER 35 7.124 16.088 1.571 147 HG SER 35 HG SER 35 5.473 14.137 0.436 148 H TYR 36 H TYR 36 6.879 12.820 -0.753 149 HA TYR 36 HA TYR 36 9.131 13.636 -2.456 150 HB2 TYR 36 1HB TYR 36 8.239 11.325 -2.572 151 HB3 TYR 36 2HB TYR 36 6.672 11.948 -3.070 152 HD1 TYR 36 HD1 TYR 36 10.272 11.911 -4.072 153 HD2 TYR 36 HD2 TYR 36 6.181 12.241 -5.323 154 HE1 TYR 36 HE1 TYR 36 10.987 11.821 -6.436 155 HE2 TYR 36 HE2 TYR 36 6.896 12.151 -7.687 156 HH TYR 36 HH TYR 36 8.603 11.960 -9.086 157 H ASN 37 H ASN 37 9.122 15.649 -3.164 158 HA ASN 37 HA ASN 37 6.576 16.972 -3.820 159 HB2 ASN 37 1HB ASN 37 8.407 18.163 -2.614 160 HB3 ASN 37 2HB ASN 37 9.424 18.001 -4.039 161 HD21 ASN 37 1HD2 ASN 37 7.924 21.345 -4.152 162 HD22 ASN 37 2HD2 ASN 37 9.003 20.467 -3.121 163 H ARG 38 H ARG 38 5.628 16.623 -5.677 164 HA ARG 38 HA ARG 38 7.065 15.351 -7.843 165 HB2 ARG 38 1HB ARG 38 4.243 16.456 -7.659 166 HB3 ARG 38 2HB ARG 38 4.865 15.576 -9.047 167 HG2 ARG 38 1HG ARG 38 5.134 13.570 -7.747 168 HG3 ARG 38 2HG ARG 38 4.731 14.437 -6.245 169 HD2 ARG 38 1HD ARG 38 2.896 14.094 -8.605 170 HD3 ARG 38 2HD ARG 38 2.872 13.114 -7.121 171 HE ARG 38 HE ARG 38 2.696 15.782 -6.323 172 HH11 ARG 38 1HH1 ARG 38 0.820 13.510 -8.235 173 HH12 ARG 38 2HH1 ARG 38 -0.713 14.260 -7.852 174 HH21 ARG 38 1HH2 ARG 38 0.699 16.747 -5.832 175 HH22 ARG 38 2HH2 ARG 38 -0.783 16.092 -6.492 176 H LYS 39 H LYS 39 6.490 18.607 -6.945 177 HA LYS 39 HA LYS 39 6.602 19.738 -9.617 178 HB2 LYS 39 1HB LYS 39 7.002 20.952 -6.857 179 HB3 LYS 39 2HB LYS 39 7.047 21.888 -8.344 180 HG2 LYS 39 1HG LYS 39 4.719 21.241 -8.833 181 HG3 LYS 39 2HG LYS 39 4.673 20.289 -7.342 182 HD2 LYS 39 1HD LYS 39 5.118 22.334 -6.021 183 HD3 LYS 39 2HD LYS 39 5.166 23.286 -7.512 184 HE2 LYS 39 1HE LYS 39 2.825 22.680 -7.988 185 HE3 LYS 39 2HE LYS 39 2.770 21.693 -6.526 186 HZ1 LYS 39 1HZ LYS 39 1.817 23.850 -6.170 187 HZ2 LYS 39 2HZ LYS 39 3.168 23.680 -5.240 188 HZ3 LYS 39 3HZ LYS 39 3.218 24.602 -6.606 189 H THR 40 H THR 40 8.923 18.548 -7.358 190 HA THR 40 HA THR 40 11.097 19.722 -9.043 191 HB THR 40 HB THR 40 12.579 19.520 -7.050 192 HG1 THR 40 HG1 THR 40 11.415 19.177 -5.007 193 HG21 THR 40 1HG2 THR 40 11.602 21.378 -5.761 194 HG22 THR 40 2HG2 THR 40 11.418 21.652 -7.510 195 HG23 THR 40 3HG2 THR 40 10.030 21.102 -6.544 196 H GLY 41 H GLY 41 9.610 16.876 -7.772 197 HA2 GLY 41 1HA GLY 41 9.872 14.698 -8.586 198 HA3 GLY 41 2HA GLY 41 11.185 15.251 -9.609 199 H GLN 42 H GLN 42 10.932 15.680 -6.089 200 HA GLN 42 HA GLN 42 12.946 13.605 -5.579 201 HB2 GLN 42 1HB GLN 42 14.606 15.124 -4.628 202 HB3 GLN 42 2HB GLN 42 14.332 15.523 -6.318 203 HG2 GLN 42 1HG GLN 42 12.908 17.399 -5.674 204 HG3 GLN 42 2HG GLN 42 13.136 16.982 -3.952 205 HE21 GLN 42 1HE2 GLN 42 15.532 19.617 -4.299 206 HE22 GLN 42 2HE2 GLN 42 13.854 19.317 -3.990 207 H CYS 43 H CYS 43 13.447 13.372 -3.283 208 HA CYS 43 HA CYS 43 11.069 13.921 -1.647 209 HB2 CYS 43 1HB CYS 43 13.657 12.441 -1.039 210 HB3 CYS 43 2HB CYS 43 12.315 12.593 0.086 211 H GLU 44 H GLU 44 10.859 15.435 -0.130 212 HA GLU 44 HA GLU 44 13.288 17.004 0.605 213 HB2 GLU 44 1HB GLU 44 10.575 18.136 -0.193 214 HB3 GLU 44 2HB GLU 44 11.914 19.078 0.445 215 HG2 GLU 44 1HG GLU 44 13.267 18.581 -1.496 216 HG3 GLU 44 2HG GLU 44 12.046 17.471 -2.113 217 H GLU 45 H GLU 45 13.345 17.877 2.642 218 HA GLU 45 HA GLU 45 11.394 16.725 4.541 219 HB2 GLU 45 1HB GLU 45 13.838 16.551 5.002 220 HB3 GLU 45 2HB GLU 45 13.949 18.305 5.045 221 HG2 GLU 45 1HG GLU 45 12.438 18.364 6.980 222 HG3 GLU 45 2HG GLU 45 12.298 16.608 6.930 223 H GLN 46 H GLN 46 9.954 17.835 5.719 224 HA GLN 46 HA GLN 46 9.991 20.788 5.644 225 HB2 GLN 46 1HB GLN 46 7.663 20.921 4.836 226 HB3 GLN 46 2HB GLN 46 8.720 20.208 3.627 227 HG2 GLN 46 1HG GLN 46 7.932 17.959 4.285 228 HG3 GLN 46 2HG GLN 46 6.811 18.726 5.444 229 HE21 GLN 46 1HE2 GLN 46 4.514 18.307 2.782 230 HE22 GLN 46 2HE2 GLN 46 5.126 17.604 4.242 231 H LYS 47 H LYS 47 8.581 21.786 7.158 232 HA LYS 47 HA LYS 47 8.303 20.090 9.553 233 HB2 LYS 47 1HB LYS 47 9.404 22.330 9.680 234 HB3 LYS 47 2HB LYS 47 7.889 23.086 9.206 235 HG2 LYS 47 1HG LYS 47 6.812 22.214 11.252 236 HG3 LYS 47 2HG LYS 47 8.343 21.468 11.730 237 HD2 LYS 47 1HD LYS 47 8.019 24.442 11.195 238 HD3 LYS 47 2HD LYS 47 7.866 23.709 12.799 239 HE2 LYS 47 1HE LYS 47 10.178 22.804 12.576 240 HE3 LYS 47 2HE LYS 47 10.325 23.613 11.014 241 HZ1 LYS 47 1HZ LYS 47 11.291 24.905 12.771 242 HZ2 LYS 47 2HZ LYS 47 9.999 25.710 12.135 243 HZ3 LYS 47 3HZ LYS 47 9.863 24.954 13.594 244 H GLY 48 H GLY 48 6.485 19.333 10.368 245 HA2 GLY 48 1HA GLY 48 4.021 20.463 10.634 246 HA3 GLY 48 2HA GLY 48 3.950 19.895 8.976 247 H THR 49 H THR 49 2.221 18.924 10.921 248 HA THR 49 HA THR 49 3.139 16.099 11.147 249 HB THR 49 HB THR 49 2.006 15.955 13.382 250 HG1 THR 49 HG1 THR 49 0.789 18.008 12.920 251 HG21 THR 49 1HG2 THR 49 3.789 17.096 14.644 252 HG22 THR 49 2HG2 THR 49 4.453 16.256 13.223 253 HG23 THR 49 3HG2 THR 49 4.232 18.021 13.191 254 H GLU 50 H GLU 50 1.740 16.515 9.042 255 HA GLU 50 HA GLU 50 -0.056 15.551 7.973 256 HB2 GLU 50 1HB GLU 50 -0.715 14.485 10.750 257 HB3 GLU 50 2HB GLU 50 -1.498 13.969 9.263 258 HG2 GLU 50 1HG GLU 50 0.702 13.179 8.416 259 HG3 GLU 50 2HG GLU 50 1.425 13.623 9.960 260 H CYS 51 H CYS 51 -0.205 18.243 8.974 261 HA CYS 51 HA CYS 51 -2.983 18.595 9.860 262 HB2 CYS 51 1HB CYS 51 -0.866 20.623 9.042 263 HB3 CYS 51 2HB CYS 51 -2.448 21.026 9.695 264 H GLY 52 H GLY 52 -3.544 17.280 7.793 265 HA2 GLY 52 1HA GLY 52 -5.084 17.595 6.018 266 HA3 GLY 52 2HA GLY 52 -4.603 19.277 5.895 267 H GLY 53 H GLY 53 -4.880 17.945 3.584 268 HA2 GLY 53 1HA GLY 53 -3.422 18.031 1.642 269 HA3 GLY 53 2HA GLY 53 -2.069 17.564 2.656 270 H GLY 54 H GLY 54 -1.640 15.899 1.072 271 HA2 GLY 54 1HA GLY 54 -3.578 13.660 0.934 272 HA3 GLY 54 2HA GLY 54 -2.115 13.828 -0.018 273 H GLU 55 H GLU 55 -1.806 11.547 0.614 274 HA GLU 55 HA GLU 55 -0.847 11.199 3.405 275 HB2 GLU 55 1HB GLU 55 -1.359 9.169 1.193 276 HB3 GLU 55 2HB GLU 55 -0.778 8.769 2.803 277 HG2 GLU 55 1HG GLU 55 -3.432 10.083 2.180 278 HG3 GLU 55 2HG GLU 55 -3.188 8.370 2.513 279 H ASN 56 H ASN 56 0.481 12.533 0.900 280 HA ASN 56 HA ASN 56 2.835 10.853 0.487 281 HB2 ASN 56 1HB ASN 56 1.917 12.315 -1.297 282 HB3 ASN 56 2HB ASN 56 2.307 13.730 -0.328 283 HD21 ASN 56 1HD2 ASN 56 4.986 12.882 -2.859 284 HD22 ASN 56 2HD2 ASN 56 3.259 12.963 -2.972 285 H HIS 57 H HIS 57 3.360 10.644 2.776 286 HA HIS 57 HA HIS 57 5.602 12.462 3.277 287 HB2 HIS 57 1HB HIS 57 4.950 13.020 5.583 288 HB3 HIS 57 2HB HIS 57 3.831 13.708 4.414 289 HD2 HIS 57 HD2 HIS 57 3.753 11.524 7.539 290 HE1 HIS 57 HE1 HIS 57 -0.060 11.130 5.676 291 HE2 HIS 57 HE2 HIS 57 1.305 10.675 7.781 292 H PHE 58 H PHE 58 7.058 11.690 4.898 293 HA PHE 58 HA PHE 58 6.732 8.781 5.437 294 HB2 PHE 58 1HB PHE 58 9.143 10.010 4.040 295 HB3 PHE 58 2HB PHE 58 8.972 8.327 4.512 296 HD1 PHE 58 HD1 PHE 58 7.912 10.918 2.149 297 HD2 PHE 58 HD2 PHE 58 7.528 6.816 3.282 298 HE1 PHE 58 HE1 PHE 58 6.870 10.413 -0.036 299 HE2 PHE 58 HE2 PHE 58 6.489 6.307 1.097 300 HZ PHE 58 HZ PHE 58 6.159 8.108 -0.562 301 H GLU 59 H GLU 59 8.334 7.912 6.917 302 HA GLU 59 HA GLU 59 8.663 9.562 9.212 303 HB2 GLU 59 1HB GLU 59 10.000 6.945 8.425 304 HB3 GLU 59 2HB GLU 59 10.179 7.694 10.005 305 HG2 GLU 59 1HG GLU 59 7.810 7.462 10.445 306 HG3 GLU 59 2HG GLU 59 7.527 6.865 8.812 307 H THR 60 H THR 60 10.859 8.731 6.561 308 HA THR 60 HA THR 60 12.471 11.088 7.187 309 HB THR 60 HB THR 60 13.459 9.309 8.679 310 HG1 THR 60 HG1 THR 60 15.191 10.448 8.303 311 HG21 THR 60 1HG2 THR 60 14.753 7.506 7.610 312 HG22 THR 60 2HG2 THR 60 13.024 7.369 7.213 313 HG23 THR 60 3HG2 THR 60 14.163 8.023 6.014 314 H LEU 61 H LEU 61 14.525 11.002 5.639 315 HA LEU 61 HA LEU 61 13.280 11.208 3.048 316 HB2 LEU 61 1HB LEU 61 16.153 11.487 3.982 317 HB3 LEU 61 2HB LEU 61 15.651 11.756 2.310 318 HG LEU 61 HG LEU 61 14.591 13.326 4.687 319 HD11 LEU 61 1HD1 LEU 61 16.066 15.119 3.889 320 HD12 LEU 61 2HD1 LEU 61 16.989 13.683 4.392 321 HD13 LEU 61 3HD1 LEU 61 16.739 14.020 2.662 322 HD21 LEU 61 1HD2 LEU 61 13.769 14.841 2.916 323 HD22 LEU 61 2HD2 LEU 61 14.409 13.739 1.674 324 HD23 LEU 61 3HD2 LEU 61 13.080 13.210 2.733 325 H LEU 62 H LEU 62 15.377 8.844 4.603 326 HA LEU 62 HA LEU 62 16.096 7.387 2.253 327 HB2 LEU 62 1HB LEU 62 15.813 6.541 5.154 328 HB3 LEU 62 2HB LEU 62 16.453 5.487 3.890 329 HG LEU 62 HG LEU 62 17.681 8.144 4.707 330 HD11 LEU 62 1HD1 LEU 62 19.390 6.763 5.801 331 HD12 LEU 62 2HD1 LEU 62 17.781 6.511 6.519 332 HD13 LEU 62 3HD1 LEU 62 18.459 5.299 5.406 333 HD21 LEU 62 1HD2 LEU 62 19.588 7.327 3.363 334 HD22 LEU 62 2HD2 LEU 62 18.661 5.870 2.932 335 HD23 LEU 62 3HD2 LEU 62 18.119 7.469 2.369 336 H LYS 63 H LYS 63 13.348 7.122 4.495 337 HA LYS 63 HA LYS 63 12.182 4.814 3.264 338 HB2 LYS 63 1HB LYS 63 11.585 5.691 5.537 339 HB3 LYS 63 2HB LYS 63 10.790 7.061 4.774 340 HG2 LYS 63 1HG LYS 63 9.194 5.543 3.676 341 HG3 LYS 63 2HG LYS 63 10.001 4.155 4.418 342 HD2 LYS 63 1HD LYS 63 9.504 5.129 6.674 343 HD3 LYS 63 2HD LYS 63 8.598 6.424 5.876 344 HE2 LYS 63 1HE LYS 63 7.102 4.718 4.852 345 HE3 LYS 63 2HE LYS 63 7.985 3.450 5.707 346 HZ1 LYS 63 1HZ LYS 63 6.004 4.087 6.874 347 HZ2 LYS 63 2HZ LYS 63 7.329 4.471 7.778 348 HZ3 LYS 63 3HZ LYS 63 6.504 5.655 6.979 349 H CYS 64 H CYS 64 11.714 8.306 2.746 350 HA CYS 64 HA CYS 64 9.699 8.108 0.760 351 HB2 CYS 64 1HB CYS 64 10.360 10.237 1.829 352 HB3 CYS 64 2HB CYS 64 11.926 10.165 1.033 353 H ASN 65 H ASN 65 13.260 8.271 0.422 354 HA ASN 65 HA ASN 65 13.321 8.207 -2.407 355 HB2 ASN 65 1HB ASN 65 15.261 8.752 -0.956 356 HB3 ASN 65 2HB ASN 65 15.356 7.066 -0.464 357 HD21 ASN 65 1HD2 ASN 65 17.611 6.479 -3.015 358 HD22 ASN 65 2HD2 ASN 65 17.211 6.394 -1.332 359 H GLU 66 H GLU 66 13.515 5.502 -0.082 360 HA GLU 66 HA GLU 66 13.785 3.483 -2.088 361 HB2 GLU 66 1HB GLU 66 12.793 3.382 0.785 362 HB3 GLU 66 2HB GLU 66 12.980 1.947 -0.213 363 HG2 GLU 66 1HG GLU 66 15.372 2.394 -0.451 364 HG3 GLU 66 2HG GLU 66 15.204 3.876 0.487 365 H SER 67 H SER 67 10.960 4.892 -0.465 366 HA SER 67 HA SER 67 9.022 3.065 -1.448 367 HB2 SER 67 1HB SER 67 8.781 6.010 -0.753 368 HB3 SER 67 2HB SER 67 7.414 4.950 -1.058 369 HG SER 67 HG SER 67 9.305 4.877 0.998 370 H CYS 68 H CYS 68 10.339 6.061 -2.840 371 HA CYS 68 HA CYS 68 8.560 5.967 -5.139 372 HB2 CYS 68 1HB CYS 68 11.076 7.578 -4.570 373 HB3 CYS 68 2HB CYS 68 10.099 7.768 -6.019 374 H ASN 69 H ASN 69 11.786 4.810 -4.355 375 HA ASN 69 HA ASN 69 12.535 4.123 -7.053 376 HB2 ASN 69 1HB ASN 69 13.456 3.167 -4.332 377 HB3 ASN 69 2HB ASN 69 14.116 2.518 -5.827 378 HD21 ASN 69 1HD2 ASN 69 16.244 5.313 -4.614 379 HD22 ASN 69 2HD2 ASN 69 15.667 3.827 -3.937 380 H ASP 70 H ASP 70 10.477 2.647 -4.671 381 HA ASP 70 HA ASP 70 10.363 0.145 -6.268 382 HB2 ASP 70 1HB ASP 70 9.215 0.879 -3.547 383 HB3 ASP 70 2HB ASP 70 8.904 -0.650 -4.357 384 H ALA 71 H ALA 71 9.137 2.989 -6.766 385 HA ALA 71 HA ALA 71 6.291 2.563 -6.744 386 HB1 ALA 71 1HB ALA 71 6.213 4.569 -8.188 387 HB2 ALA 71 2HB ALA 71 7.268 4.814 -6.776 388 HB3 ALA 71 3HB ALA 71 7.980 4.494 -8.375 389 HA PRO 72 HA PRO 72 5.813 0.119 -10.279 390 HB2 PRO 72 1HB PRO 72 3.200 0.630 -10.931 391 HB3 PRO 72 2HB PRO 72 3.645 -0.260 -9.470 392 HG2 PRO 72 1HG PRO 72 2.964 2.695 -9.774 393 HG3 PRO 72 2HG PRO 72 2.346 1.548 -8.582 394 HD2 PRO 72 1HD PRO 72 4.403 3.239 -7.993 395 HD3 PRO 72 2HD PRO 72 4.330 1.565 -7.310 396 H LYS 73 H LYS 73 5.622 3.541 -10.363 397 HA LYS 73 HA LYS 73 4.923 3.897 -13.141 398 HB2 LYS 73 1HB LYS 73 6.394 5.751 -11.224 399 HB3 LYS 73 2HB LYS 73 5.764 6.216 -12.798 400 HG2 LYS 73 1HG LYS 73 4.069 5.202 -10.496 401 HG3 LYS 73 2HG LYS 73 4.317 6.904 -10.910 402 HD2 LYS 73 1HD LYS 73 3.369 6.449 -13.182 403 HD3 LYS 73 2HD LYS 73 3.037 4.786 -12.676 404 HE2 LYS 73 1HE LYS 73 1.591 5.642 -10.850 405 HE3 LYS 73 2HE LYS 73 1.905 7.295 -11.382 406 HZ1 LYS 73 1HZ LYS 73 -0.159 6.469 -12.244 407 HZ2 LYS 73 2HZ LYS 73 0.889 6.749 -13.487 408 HZ3 LYS 73 3HZ LYS 73 0.594 5.205 -12.988 409 HA PRO 74 HA PRO 74 8.566 2.828 -15.237 410 HB2 PRO 74 1HB PRO 74 7.960 5.327 -16.863 411 HB3 PRO 74 2HB PRO 74 8.334 3.695 -17.431 412 HG2 PRO 74 1HG PRO 74 5.796 4.487 -17.470 413 HG3 PRO 74 2HG PRO 74 6.168 2.859 -16.896 414 HD2 PRO 74 1HD PRO 74 5.568 5.371 -15.284 415 HD3 PRO 74 2HD PRO 74 4.982 3.680 -15.019 416 HA PRO 75 HA PRO 75 11.458 5.537 -13.315 417 HB2 PRO 75 1HB PRO 75 13.786 4.396 -14.222 418 HB3 PRO 75 2HB PRO 75 12.763 3.617 -13.008 419 HG2 PRO 75 1HG PRO 75 12.855 3.143 -16.019 420 HG3 PRO 75 2HG PRO 75 12.877 1.944 -14.722 421 HD2 PRO 75 1HD PRO 75 10.569 2.567 -16.022 422 HD3 PRO 75 2HD PRO 75 10.576 2.180 -14.255 423 H CYS 76 H CYS 76 11.046 5.131 -16.712 424 HA CYS 76 HA CYS 76 12.945 7.302 -17.384 425 HB2 CYS 76 1HB CYS 76 11.186 5.552 -19.146 426 HB3 CYS 76 2HB CYS 76 12.283 6.790 -19.742 427 H SER 77 H SER 77 10.027 7.272 -16.057 428 HA SER 77 HA SER 77 8.768 9.277 -17.827 429 HB2 SER 77 1HB SER 77 6.854 9.093 -16.377 430 HB3 SER 77 2HB SER 77 7.417 7.473 -16.761 431 HG SER 77 HG SER 77 8.465 7.411 -14.797 432 H LEU 78 H LEU 78 10.704 9.082 -14.963 433 HA LEU 78 HA LEU 78 10.012 11.873 -14.215 434 HB2 LEU 78 1HB LEU 78 11.721 9.814 -12.774 435 HB3 LEU 78 2HB LEU 78 11.288 11.412 -12.157 436 HG LEU 78 HG LEU 78 9.369 9.113 -12.677 437 HD11 LEU 78 1HD1 LEU 78 9.150 9.109 -10.233 438 HD12 LEU 78 2HD1 LEU 78 10.821 8.774 -10.743 439 HD13 LEU 78 3HD1 LEU 78 10.387 10.383 -10.119 440 HD21 LEU 78 1HD2 LEU 78 7.699 10.605 -11.632 441 HD22 LEU 78 2HD2 LEU 78 8.915 11.902 -11.538 442 HD23 LEU 78 3HD2 LEU 78 8.353 11.322 -13.124 443 H GLU 79 H GLU 79 11.834 13.288 -13.529 444 HA GLU 79 HA GLU 79 13.718 13.346 -15.789 445 HB2 GLU 79 1HB GLU 79 13.167 15.349 -13.562 446 HB3 GLU 79 2HB GLU 79 14.275 15.621 -14.899 447 HG2 GLU 79 1HG GLU 79 12.411 15.426 -16.491 448 HG3 GLU 79 2HG GLU 79 11.298 15.143 -15.155 449 H VAL 80 H VAL 80 15.984 14.088 -15.371 450 HA VAL 80 HA VAL 80 17.341 12.139 -13.813 451 HB VAL 80 HB VAL 80 18.305 14.810 -14.919 452 HG11 VAL 80 1HG1 VAL 80 20.569 13.919 -14.657 453 HG12 VAL 80 2HG1 VAL 80 19.740 14.103 -13.093 454 HG13 VAL 80 3HG1 VAL 80 19.910 12.490 -13.827 455 HG21 VAL 80 1HG2 VAL 80 19.267 13.389 -16.702 456 HG22 VAL 80 2HG2 VAL 80 18.561 11.948 -15.932 457 HG23 VAL 80 3HG2 VAL 80 17.499 13.203 -16.614 458 H ASP 81 H ASP 81 17.908 12.022 -11.748 459 HA ASP 81 HA ASP 81 18.204 14.512 -10.180 460 HB2 ASP 81 1HB ASP 81 15.841 13.823 -9.844 461 HB3 ASP 81 2HB ASP 81 16.376 12.233 -9.317 462 H TYR 82 H TYR 82 20.355 14.202 -9.908 463 HA TYR 82 HA TYR 82 21.204 11.629 -8.663 464 HB2 TYR 82 1HB TYR 82 23.525 12.403 -9.272 465 HB3 TYR 82 2HB TYR 82 22.473 12.102 -10.649 466 HD1 TYR 82 HD1 TYR 82 24.104 14.707 -8.609 467 HD2 TYR 82 HD2 TYR 82 21.779 13.868 -12.116 468 HE1 TYR 82 HE1 TYR 82 24.561 16.984 -9.457 469 HE2 TYR 82 HE2 TYR 82 22.236 16.144 -12.964 470 HH TYR 82 HH TYR 82 24.194 18.447 -11.089 471 H GLY 83 H GLY 83 19.897 14.129 -7.438 472 HA2 GLY 83 1HA GLY 83 19.945 14.815 -5.198 473 HA3 GLY 83 2HA GLY 83 21.439 13.928 -4.967 474 H VAL 84 H VAL 84 21.418 16.243 -3.732 475 HA VAL 84 HA VAL 84 23.141 17.974 -5.455 476 HB VAL 84 HB VAL 84 22.352 19.917 -4.093 477 HG11 VAL 84 1HG1 VAL 84 20.158 20.130 -5.156 478 HG12 VAL 84 2HG1 VAL 84 21.380 19.479 -6.274 479 HG13 VAL 84 3HG1 VAL 84 20.177 18.392 -5.540 480 HG21 VAL 84 1HG2 VAL 84 20.306 19.642 -2.728 481 HG22 VAL 84 2HG2 VAL 84 20.338 17.889 -3.037 482 HG23 VAL 84 3HG2 VAL 84 21.641 18.651 -2.094 483 H GLY 85 H GLY 85 24.011 15.772 -3.853 484 HA2 GLY 85 1HA GLY 85 25.047 16.959 -1.342 485 HA3 GLY 85 2HA GLY 85 25.109 15.266 -1.795 486 H ARG 86 H ARG 86 27.350 15.255 -1.206 487 HA ARG 86 HA ARG 86 29.098 16.457 -3.304 488 HB2 ARG 86 1HB ARG 86 29.586 16.460 -0.307 489 HB3 ARG 86 2HB ARG 86 30.803 16.866 -1.506 490 HG2 ARG 86 1HG ARG 86 28.187 18.351 -1.163 491 HG3 ARG 86 2HG ARG 86 29.745 18.837 -0.451 492 HD2 ARG 86 1HD ARG 86 30.701 18.982 -2.691 493 HD3 ARG 86 2HD ARG 86 29.121 18.547 -3.381 494 HE ARG 86 HE ARG 86 29.898 21.096 -2.169 495 HH11 ARG 86 1HH1 ARG 86 27.311 19.058 -3.391 496 HH12 ARG 86 2HH1 ARG 86 26.203 20.391 -3.627 497 HH21 ARG 86 1HH2 ARG 86 28.451 22.818 -2.479 498 HH22 ARG 86 2HH2 ARG 86 26.847 22.520 -3.111 499 H ALA 87 H ALA 87 27.930 13.705 -2.610 500 HA ALA 87 HA ALA 87 30.376 12.132 -2.279 501 HB1 ALA 87 1HB ALA 87 28.902 10.199 -2.732 502 HB2 ALA 87 2HB ALA 87 28.235 11.253 -1.463 503 HB3 ALA 87 3HB ALA 87 27.569 11.314 -3.111 504 H ASN 88 H ASN 88 30.899 10.420 -3.923 505 HA ASN 88 HA ASN 88 30.571 11.489 -6.690 506 HB2 ASN 88 1HB ASN 88 33.151 10.507 -5.424 507 HB3 ASN 88 2HB ASN 88 32.942 10.873 -7.131 508 HD21 ASN 88 1HD2 ASN 88 33.736 13.781 -4.485 509 HD22 ASN 88 2HD2 ASN 88 33.710 12.098 -4.080 510 H ILE 89 H ILE 89 28.847 9.824 -6.569 511 HA ILE 89 HA ILE 89 30.019 7.148 -7.203 512 HB ILE 89 HB ILE 89 27.251 7.802 -6.104 513 HG12 ILE 89 1HG1 ILE 89 29.539 6.321 -4.791 514 HG13 ILE 89 2HG1 ILE 89 29.158 8.010 -4.497 515 HG21 ILE 89 1HG2 ILE 89 26.972 5.359 -5.987 516 HG22 ILE 89 2HG2 ILE 89 27.219 5.894 -7.665 517 HG23 ILE 89 3HG2 ILE 89 28.555 5.136 -6.768 518 HD11 ILE 89 1HD1 ILE 89 28.236 6.588 -2.754 519 HD12 ILE 89 2HD1 ILE 89 26.932 7.379 -3.672 520 HD13 ILE 89 3HD1 ILE 89 27.318 5.667 -3.967 521 HA PRO 90 HA PRO 90 28.623 8.438 -11.261 522 HB2 PRO 90 1HB PRO 90 29.869 5.726 -11.820 523 HB3 PRO 90 2HB PRO 90 30.070 7.247 -12.700 524 HG2 PRO 90 1HG PRO 90 32.027 6.461 -11.077 525 HG3 PRO 90 2HG PRO 90 31.546 8.160 -11.072 526 HD2 PRO 90 1HD PRO 90 30.780 5.945 -9.123 527 HD3 PRO 90 2HD PRO 90 31.288 7.645 -8.770 528 H ARG 91 H ARG 91 26.534 8.141 -11.748 529 HA ARG 91 HA ARG 91 25.499 5.368 -11.934 530 HB2 ARG 91 1HB ARG 91 24.097 7.614 -10.444 531 HB3 ARG 91 2HB ARG 91 23.363 6.072 -10.857 532 HG2 ARG 91 1HG ARG 91 25.124 4.934 -9.482 533 HG3 ARG 91 2HG ARG 91 25.673 6.547 -8.964 534 HD2 ARG 91 1HD ARG 91 24.199 5.624 -7.324 535 HD3 ARG 91 2HD ARG 91 23.410 7.002 -8.125 536 HE ARG 91 HE ARG 91 21.843 5.577 -9.038 537 HH11 ARG 91 1HH1 ARG 91 24.424 3.716 -7.551 538 HH12 ARG 91 2HH1 ARG 91 23.558 2.199 -7.651 539 HH21 ARG 91 1HH2 ARG 91 20.729 3.602 -9.163 540 HH22 ARG 91 2HH2 ARG 91 21.467 2.134 -8.564 541 H TRP 92 H TRP 92 23.424 5.261 -13.124 542 HA TRP 92 HA TRP 92 23.660 7.155 -15.408 543 HB2 TRP 92 1HB TRP 92 22.634 4.307 -15.183 544 HB3 TRP 92 2HB TRP 92 22.336 5.298 -16.603 545 HD1 TRP 92 HD1 TRP 92 25.134 3.421 -14.784 546 HE1 TRP 92 HE1 TRP 92 27.192 3.242 -16.339 547 HE3 TRP 92 HE3 TRP 92 23.541 6.508 -18.557 548 HZ2 TRP 92 HZ2 TRP 92 28.005 4.280 -18.835 549 HZ3 TRP 92 HZ3 TRP 92 25.009 6.875 -20.501 550 HH2 TRP 92 HH2 TRP 92 27.206 5.779 -20.645 551 H TYR 93 H TYR 93 22.029 8.401 -16.076 552 HA TYR 93 HA TYR 93 19.329 7.910 -14.917 553 HB2 TYR 93 1HB TYR 93 20.738 10.609 -15.038 554 HB3 TYR 93 2HB TYR 93 19.060 10.362 -14.575 555 HD1 TYR 93 HD1 TYR 93 22.574 9.721 -13.603 556 HD2 TYR 93 HD2 TYR 93 18.458 9.629 -12.394 557 HE1 TYR 93 HE1 TYR 93 23.270 9.385 -11.255 558 HE2 TYR 93 HE2 TYR 93 19.155 9.292 -10.047 559 HH TYR 93 HH TYR 93 20.857 9.096 -8.643 560 H TYR 94 H TYR 94 17.588 8.511 -16.159 561 HA TYR 94 HA TYR 94 18.216 8.783 -19.029 562 HB2 TYR 94 1HB TYR 94 16.564 7.093 -18.342 563 HB3 TYR 94 2HB TYR 94 15.584 8.331 -17.567 564 HD1 TYR 94 HD1 TYR 94 17.101 7.555 -20.907 565 HD2 TYR 94 HD2 TYR 94 13.802 9.217 -18.725 566 HE1 TYR 94 HE1 TYR 94 15.881 7.915 -23.026 567 HE2 TYR 94 HE2 TYR 94 12.582 9.577 -20.844 568 HH TYR 94 HH TYR 94 13.991 8.617 -23.965 569 H ASP 95 H ASP 95 18.305 10.641 -20.030 570 HA ASP 95 HA ASP 95 17.103 13.037 -18.818 571 HB2 ASP 95 1HB ASP 95 19.344 13.148 -19.887 572 HB3 ASP 95 2HB ASP 95 18.636 12.681 -21.427 573 H THR 96 H THR 96 15.024 13.432 -19.066 574 HA THR 96 HA THR 96 13.512 12.056 -21.138 575 HB THR 96 HB THR 96 11.538 13.125 -20.111 576 HG1 THR 96 HG1 THR 96 12.511 15.144 -19.599 577 HG21 THR 96 1HG2 THR 96 11.768 12.189 -17.843 578 HG22 THR 96 2HG2 THR 96 12.475 11.096 -19.057 579 HG23 THR 96 3HG2 THR 96 13.533 12.111 -18.050 580 H ASN 97 H ASN 97 15.065 15.104 -20.849 581 HA ASN 97 HA ASN 97 13.298 16.444 -22.779 582 HB2 ASN 97 1HB ASN 97 15.850 17.272 -21.369 583 HB3 ASN 97 2HB ASN 97 15.057 18.275 -22.577 584 HD21 ASN 97 1HD2 ASN 97 13.953 19.151 -19.098 585 HD22 ASN 97 2HD2 ASN 97 15.504 18.925 -19.834 586 H ASN 98 H ASN 98 16.470 14.899 -22.729 587 HA ASN 98 HA ASN 98 16.687 15.419 -25.659 588 HB2 ASN 98 1HB ASN 98 18.757 14.610 -23.595 589 HB3 ASN 98 2HB ASN 98 19.067 14.622 -25.326 590 HD21 ASN 98 1HD2 ASN 98 19.437 17.966 -23.208 591 HD22 ASN 98 2HD2 ASN 98 19.290 16.378 -22.533 592 H ALA 99 H ALA 99 15.612 13.115 -23.525 593 HA ALA 99 HA ALA 99 15.069 10.897 -23.765 594 HB1 ALA 99 1HB ALA 99 14.528 10.125 -26.052 595 HB2 ALA 99 2HB ALA 99 13.860 11.742 -25.727 596 HB3 ALA 99 3HB ALA 99 15.325 11.568 -26.719 597 H THR 100 H THR 100 17.557 11.068 -22.966 598 HA THR 100 HA THR 100 18.883 8.839 -24.356 599 HB THR 100 HB THR 100 19.751 10.868 -25.534 600 HG1 THR 100 HG1 THR 100 21.929 10.026 -24.011 601 HG21 THR 100 1HG2 THR 100 21.216 12.415 -24.297 602 HG22 THR 100 2HG2 THR 100 19.556 12.461 -23.656 603 HG23 THR 100 3HG2 THR 100 20.825 11.577 -22.777 604 H CYS 101 H CYS 101 20.538 7.837 -23.142 605 HA CYS 101 HA CYS 101 20.218 8.332 -20.232 606 HB2 CYS 101 1HB CYS 101 21.450 5.973 -21.710 607 HB3 CYS 101 2HB CYS 101 21.248 6.091 -19.968 608 H GLU 102 H GLU 102 21.756 9.219 -19.040 609 HA GLU 102 HA GLU 102 24.538 9.250 -20.108 610 HB2 GLU 102 1HB GLU 102 22.982 11.646 -19.056 611 HB3 GLU 102 2HB GLU 102 24.717 11.642 -19.338 612 HG2 GLU 102 1HG GLU 102 24.291 11.137 -21.736 613 HG3 GLU 102 2HG GLU 102 22.561 11.250 -21.424 614 H MET 103 H MET 103 26.187 9.563 -18.551 615 HA MET 103 HA MET 103 25.428 8.534 -15.894 616 HB2 MET 103 1HB MET 103 27.361 7.547 -17.068 617 HB3 MET 103 2HB MET 103 28.148 9.117 -17.132 618 HG2 MET 103 1HG MET 103 28.289 9.156 -14.674 619 HG3 MET 103 2HG MET 103 27.480 7.588 -14.599 620 HE1 MET 103 1HE MET 103 30.072 5.077 -15.867 621 HE2 MET 103 2HE MET 103 28.595 5.337 -14.907 622 HE3 MET 103 3HE MET 103 28.602 5.708 -16.648 623 H PHE 104 H PHE 104 25.302 9.653 -14.084 624 HA PHE 104 HA PHE 104 26.485 12.397 -14.066 625 HB2 PHE 104 1HB PHE 104 23.815 11.512 -12.902 626 HB3 PHE 104 2HB PHE 104 24.561 13.072 -12.596 627 HD1 PHE 104 HD1 PHE 104 22.921 10.958 -15.113 628 HD2 PHE 104 HD2 PHE 104 24.599 14.798 -14.279 629 HE1 PHE 104 HE1 PHE 104 21.856 11.865 -17.152 630 HE2 PHE 104 HE2 PHE 104 23.533 15.708 -16.315 631 HZ PHE 104 HZ PHE 104 22.162 14.240 -17.753 632 H THR 105 H THR 105 26.955 13.242 -11.919 633 HA THR 105 HA THR 105 28.121 11.112 -10.249 634 HB THR 105 HB THR 105 28.316 14.148 -10.030 635 HG1 THR 105 HG1 THR 105 30.569 13.451 -10.719 636 HG21 THR 105 1HG2 THR 105 30.182 13.682 -8.490 637 HG22 THR 105 2HG2 THR 105 28.657 13.011 -7.863 638 HG23 THR 105 3HG2 THR 105 29.858 11.938 -8.619 639 H TYR 106 H TYR 106 26.753 10.132 -8.923 640 HA TYR 106 HA TYR 106 24.454 11.421 -7.770 641 HB2 TYR 106 1HB TYR 106 24.636 8.959 -8.159 642 HB3 TYR 106 2HB TYR 106 25.865 8.865 -6.905 643 HD1 TYR 106 HD1 TYR 106 22.558 10.630 -7.115 644 HD2 TYR 106 HD2 TYR 106 25.034 7.799 -5.050 645 HE1 TYR 106 HE1 TYR 106 20.795 10.332 -5.409 646 HE2 TYR 106 HE2 TYR 106 23.271 7.502 -3.344 647 HH TYR 106 HH TYR 106 20.184 9.256 -3.563 648 H GLY 107 H GLY 107 24.226 12.646 -6.046 649 HA2 GLY 107 1HA GLY 107 26.699 13.400 -4.622 650 HA3 GLY 107 2HA GLY 107 25.171 14.260 -4.591 651 H GLY 108 H GLY 108 23.874 11.469 -4.128 652 HA2 GLY 108 1HA GLY 108 23.857 9.833 -2.358 653 HA3 GLY 108 2HA GLY 108 24.825 10.906 -1.364 654 H ILE 109 H ILE 109 22.348 12.543 -3.047 655 HA ILE 109 HA ILE 109 20.798 12.732 -0.506 656 HB ILE 109 HB ILE 109 20.906 14.681 -2.849 657 HG12 ILE 109 1HG1 ILE 109 23.037 14.609 -1.696 658 HG13 ILE 109 2HG1 ILE 109 22.201 16.116 -1.358 659 HG21 ILE 109 1HG2 ILE 109 19.716 16.194 -1.314 660 HG22 ILE 109 2HG2 ILE 109 18.765 14.724 -1.627 661 HG23 ILE 109 3HG2 ILE 109 19.644 14.904 -0.091 662 HD11 ILE 109 1HD1 ILE 109 23.262 15.234 0.644 663 HD12 ILE 109 2HD1 ILE 109 21.491 15.247 0.828 664 HD13 ILE 109 3HD1 ILE 109 22.340 13.721 0.487 665 H THR 110 H THR 110 19.383 11.045 -0.706 666 HA THR 110 HA THR 110 17.523 9.906 -1.485 667 HB THR 110 HB THR 110 15.584 11.306 -1.931 668 HG1 THR 110 HG1 THR 110 17.418 12.913 -3.057 669 HG21 THR 110 1HG2 THR 110 15.701 12.856 -0.020 670 HG22 THR 110 2HG2 THR 110 16.435 11.287 0.388 671 HG23 THR 110 3HG2 THR 110 17.471 12.685 0.017 672 H GLY 111 H GLY 111 15.933 11.454 -3.734 673 HA2 GLY 111 1HA GLY 111 16.891 11.546 -6.196 674 HA3 GLY 111 2HA GLY 111 17.203 9.847 -5.898 675 H ASN 112 H ASN 112 15.755 9.421 -7.689 676 HA ASN 112 HA ASN 112 13.021 9.004 -6.694 677 HB2 ASN 112 1HB ASN 112 11.936 10.004 -8.635 678 HB3 ASN 112 2HB ASN 112 12.860 11.215 -7.757 679 HD21 ASN 112 1HD2 ASN 112 14.056 12.185 -10.887 680 HD22 ASN 112 2HD2 ASN 112 13.027 12.554 -9.543 681 H LYS 113 H LYS 113 11.742 8.064 -8.823 682 HA LYS 113 HA LYS 113 12.751 5.435 -8.971 683 HB2 LYS 113 1HB LYS 113 10.375 6.090 -9.377 684 HB3 LYS 113 2HB LYS 113 10.846 6.804 -10.913 685 HG2 LYS 113 1HG LYS 113 9.975 4.707 -11.478 686 HG3 LYS 113 2HG LYS 113 11.728 4.477 -11.547 687 HD2 LYS 113 1HD LYS 113 11.620 3.601 -9.173 688 HD3 LYS 113 2HD LYS 113 9.856 3.656 -9.300 689 HE2 LYS 113 1HE LYS 113 10.065 2.188 -11.366 690 HE3 LYS 113 2HE LYS 113 11.773 1.992 -10.965 691 HZ1 LYS 113 1HZ LYS 113 10.453 0.207 -10.094 692 HZ2 LYS 113 2HZ LYS 113 11.111 1.069 -8.851 693 HZ3 LYS 113 3HZ LYS 113 9.515 1.251 -9.227 694 H ASN 114 H ASN 114 13.205 8.183 -11.146 695 HA ASN 114 HA ASN 114 14.598 6.673 -13.177 696 HB2 ASN 114 1HB ASN 114 13.548 8.897 -13.566 697 HB3 ASN 114 2HB ASN 114 14.758 9.635 -12.526 698 HD21 ASN 114 1HD2 ASN 114 15.775 9.941 -16.092 699 HD22 ASN 114 2HD2 ASN 114 14.365 10.368 -15.182 700 H ASN 115 H ASN 115 16.035 5.350 -12.041 701 HA ASN 115 HA ASN 115 18.637 6.582 -11.620 702 HB2 ASN 115 1HB ASN 115 17.492 7.022 -9.441 703 HB3 ASN 115 2HB ASN 115 17.268 5.290 -9.238 704 HD21 ASN 115 1HD2 ASN 115 20.306 6.365 -7.404 705 HD22 ASN 115 2HD2 ASN 115 18.632 6.810 -7.390 706 H PHE 116 H PHE 116 19.942 5.261 -12.640 707 HA PHE 116 HA PHE 116 19.164 2.374 -12.707 708 HB2 PHE 116 1HB PHE 116 20.432 3.988 -14.954 709 HB3 PHE 116 2HB PHE 116 19.921 2.309 -15.032 710 HD1 PHE 116 HD1 PHE 116 18.956 5.710 -15.496 711 HD2 PHE 116 HD2 PHE 116 17.429 1.804 -14.686 712 HE1 PHE 116 HE1 PHE 116 16.717 6.430 -16.258 713 HE2 PHE 116 HE2 PHE 116 15.188 2.519 -15.449 714 HZ PHE 116 HZ PHE 116 14.833 4.834 -16.234 715 H GLU 117 H GLU 117 20.816 0.828 -12.937 716 HA GLU 117 HA GLU 117 23.342 1.658 -11.678 717 HB2 GLU 117 1HB GLU 117 22.252 -1.061 -12.502 718 HB3 GLU 117 2HB GLU 117 23.823 -0.826 -11.750 719 HG2 GLU 117 1HG GLU 117 21.215 0.028 -10.481 720 HG3 GLU 117 2HG GLU 117 21.974 -1.540 -10.216 721 H SER 118 H SER 118 22.119 0.837 -14.834 722 HA SER 118 HA SER 118 24.830 1.192 -15.968 723 HB2 SER 118 1HB SER 118 24.730 -0.849 -17.257 724 HB3 SER 118 2HB SER 118 24.557 -1.244 -15.554 725 HG SER 118 HG SER 118 22.921 -2.272 -16.291 726 H GLU 119 H GLU 119 24.844 1.566 -18.257 727 HA GLU 119 HA GLU 119 22.723 3.195 -19.214 728 HB2 GLU 119 1HB GLU 119 25.045 3.294 -20.081 729 HB3 GLU 119 2HB GLU 119 24.856 1.697 -20.791 730 HG2 GLU 119 1HG GLU 119 23.083 2.554 -22.263 731 HG3 GLU 119 2HG GLU 119 23.260 4.154 -21.547 732 H GLU 120 H GLU 120 23.501 -0.229 -19.827 733 HA GLU 120 HA GLU 120 21.484 -0.782 -21.711 734 HB2 GLU 120 1HB GLU 120 23.270 -2.378 -21.082 735 HB3 GLU 120 2HB GLU 120 22.546 -2.579 -19.493 736 HG2 GLU 120 1HG GLU 120 20.532 -3.539 -20.516 737 HG3 GLU 120 2HG GLU 120 21.233 -3.314 -22.118 738 H GLU 121 H GLU 121 21.322 -1.053 -18.144 739 HA GLU 121 HA GLU 121 18.627 -1.826 -17.940 740 HB2 GLU 121 1HB GLU 121 20.223 -1.742 -16.034 741 HB3 GLU 121 2HB GLU 121 20.188 0.015 -16.082 742 HG2 GLU 121 1HG GLU 121 17.753 -0.051 -15.584 743 HG3 GLU 121 2HG GLU 121 17.855 -1.806 -15.454 744 H CYS 122 H CYS 122 19.987 1.485 -17.955 745 HA CYS 122 HA CYS 122 17.620 2.937 -17.709 746 HB2 CYS 122 1HB CYS 122 19.847 3.982 -17.760 747 HB3 CYS 122 2HB CYS 122 20.027 3.568 -19.459 748 H LYS 123 H LYS 123 19.147 1.837 -20.764 749 HA LYS 123 HA LYS 123 17.117 3.032 -22.402 750 HB2 LYS 123 1HB LYS 123 19.214 0.904 -22.964 751 HB3 LYS 123 2HB LYS 123 18.132 1.527 -24.201 752 HG2 LYS 123 1HG LYS 123 19.029 3.791 -23.877 753 HG3 LYS 123 2HG LYS 123 20.092 3.193 -22.595 754 HD2 LYS 123 1HD LYS 123 21.232 1.716 -24.191 755 HD3 LYS 123 2HD LYS 123 20.131 2.227 -25.479 756 HE2 LYS 123 1HE LYS 123 20.962 4.523 -25.328 757 HE3 LYS 123 2HE LYS 123 21.993 4.091 -23.961 758 HZ1 LYS 123 1HZ LYS 123 23.216 4.140 -26.008 759 HZ2 LYS 123 2HZ LYS 123 23.192 2.602 -25.411 760 HZ3 LYS 123 3HZ LYS 123 22.230 3.007 -26.688 761 H GLU 124 H GLU 124 17.551 -0.214 -21.061 762 HA GLU 124 HA GLU 124 15.528 -1.422 -22.731 763 HB2 GLU 124 1HB GLU 124 16.890 -2.315 -20.163 764 HB3 GLU 124 2HB GLU 124 15.703 -3.301 -21.006 765 HG2 GLU 124 1HG GLU 124 18.345 -2.343 -22.130 766 HG3 GLU 124 2HG GLU 124 17.981 -3.966 -21.549 767 H THR 125 H THR 125 15.561 -0.002 -19.489 768 HA THR 125 HA THR 125 12.839 -0.768 -18.873 769 HB THR 125 HB THR 125 13.047 0.940 -17.040 770 HG1 THR 125 HG1 THR 125 15.146 1.713 -18.622 771 HG21 THR 125 1HG2 THR 125 14.841 -0.227 -15.820 772 HG22 THR 125 2HG2 THR 125 13.816 -1.383 -16.704 773 HG23 THR 125 3HG2 THR 125 15.417 -0.943 -17.343 774 H CYS 126 H CYS 126 14.349 1.917 -20.549 775 HA CYS 126 HA CYS 126 11.949 3.511 -20.753 776 HB2 CYS 126 1HB CYS 126 14.462 3.373 -22.458 777 HB3 CYS 126 2HB CYS 126 13.162 4.521 -22.743 778 H LYS 127 H LYS 127 13.391 0.903 -22.685 779 HA LYS 127 HA LYS 127 11.404 0.887 -24.745 780 HB2 LYS 127 1HB LYS 127 13.143 -1.329 -23.596 781 HB3 LYS 127 2HB LYS 127 12.096 -1.545 -24.992 782 HG2 LYS 127 1HG LYS 127 13.348 0.144 -26.238 783 HG3 LYS 127 2HG LYS 127 14.363 0.463 -24.824 784 HD2 LYS 127 1HD LYS 127 15.087 -1.944 -24.871 785 HD3 LYS 127 2HD LYS 127 14.175 -2.145 -26.375 786 HE2 LYS 127 1HE LYS 127 15.554 -0.442 -27.474 787 HE3 LYS 127 2HE LYS 127 16.425 -0.141 -25.968 788 HZ1 LYS 127 1HZ LYS 127 17.644 -1.592 -27.417 789 HZ2 LYS 127 2HZ LYS 127 17.222 -2.403 -26.044 790 HZ3 LYS 127 3HZ LYS 127 16.409 -2.684 -27.451 791 H GLY 128 H GLY 128 11.487 -0.438 -21.482 792 HA2 GLY 128 1HA GLY 128 9.188 -0.474 -20.438 793 HA3 GLY 128 2HA GLY 128 8.649 -1.325 -21.874 794 H PHE 129 H PHE 129 11.790 -1.880 -20.359 795 HA PHE 129 HA PHE 129 11.289 -4.696 -20.004 796 HB2 PHE 129 1HB PHE 129 13.556 -3.778 -20.371 797 HB3 PHE 129 2HB PHE 129 13.471 -2.918 -18.843 798 HD1 PHE 129 HD1 PHE 129 13.410 -6.330 -20.322 799 HD2 PHE 129 HD2 PHE 129 14.117 -3.948 -16.847 800 HE1 PHE 129 HE1 PHE 129 14.341 -8.304 -19.161 801 HE2 PHE 129 HE2 PHE 129 15.051 -5.919 -15.683 802 HZ PHE 129 HZ PHE 129 15.162 -8.098 -16.841 803 H SER 130 H SER 130 10.390 -5.773 -18.397 804 HA SER 130 HA SER 130 10.491 -4.818 -15.653 805 HB2 SER 130 1HB SER 130 8.661 -3.419 -16.483 806 HB3 SER 130 2HB SER 130 7.836 -4.832 -17.125 807 HG SER 130 HG SER 130 8.309 -4.087 -14.476 Start of MODEL 8 1 H GLU 13 1H GLU 13 -0.502 -1.149 1.214 2 HA GLU 13 HA GLU 13 1.669 -0.659 2.011 3 HB2 GLU 13 1HB GLU 13 1.355 -0.779 -1.015 4 HB3 GLU 13 2HB GLU 13 2.871 -1.049 -0.168 5 HG2 GLU 13 1HG GLU 13 1.881 -2.976 0.999 6 HG3 GLU 13 2HG GLU 13 0.359 -2.704 0.154 7 H SER 14 H SER 14 3.643 0.566 1.702 8 HA SER 14 HA SER 14 2.857 3.297 2.174 9 HB2 SER 14 1HB SER 14 5.171 3.658 2.764 10 HB3 SER 14 2HB SER 14 4.652 2.115 3.425 11 HG SER 14 HG SER 14 6.613 2.647 1.745 12 H TRP 15 H TRP 15 4.192 1.588 -0.556 13 HA TRP 15 HA TRP 15 5.447 3.797 -1.859 14 HB2 TRP 15 1HB TRP 15 5.481 2.401 -3.829 15 HB3 TRP 15 2HB TRP 15 5.805 1.382 -2.434 16 HD1 TRP 15 HD1 TRP 15 4.108 -0.569 -1.912 17 HE1 TRP 15 HE1 TRP 15 2.060 -1.542 -3.155 18 HE3 TRP 15 HE3 TRP 15 3.426 3.171 -5.353 19 HZ2 TRP 15 HZ2 TRP 15 0.391 -0.798 -5.306 20 HZ3 TRP 15 HZ3 TRP 15 1.585 2.979 -6.978 21 HH2 TRP 15 HH2 TRP 15 0.086 1.029 -6.959 22 H VAL 16 H VAL 16 2.132 2.926 -1.453 23 HA VAL 16 HA VAL 16 1.032 4.170 -3.776 24 HB VAL 16 HB VAL 16 -0.141 3.727 -0.999 25 HG11 VAL 16 1HG1 VAL 16 -2.329 4.068 -2.039 26 HG12 VAL 16 2HG1 VAL 16 -1.321 5.533 -2.111 27 HG13 VAL 16 3HG1 VAL 16 -1.533 4.525 -3.563 28 HG21 VAL 16 1HG2 VAL 16 -1.272 1.825 -2.105 29 HG22 VAL 16 2HG2 VAL 16 -0.436 2.215 -3.627 30 HG23 VAL 16 3HG2 VAL 16 0.497 1.672 -2.213 31 H SER 17 H SER 17 2.182 5.429 -0.712 32 HA SER 17 HA SER 17 0.778 7.936 -0.825 33 HB2 SER 17 1HB SER 17 3.306 7.096 0.627 34 HB3 SER 17 2HB SER 17 2.510 8.645 0.859 35 HG SER 17 HG SER 17 1.176 7.720 2.088 36 H CYS 18 H CYS 18 3.436 6.697 -2.570 37 HA CYS 18 HA CYS 18 4.706 9.259 -3.114 38 HB2 CYS 18 1HB CYS 18 4.919 6.575 -4.533 39 HB3 CYS 18 2HB CYS 18 5.922 7.976 -4.881 40 H LEU 19 H LEU 19 1.891 7.668 -4.206 41 HA LEU 19 HA LEU 19 1.808 9.390 -6.638 42 HB2 LEU 19 1HB LEU 19 0.042 7.055 -5.823 43 HB3 LEU 19 2HB LEU 19 -0.113 7.984 -7.317 44 HG LEU 19 HG LEU 19 2.257 6.242 -6.549 45 HD11 LEU 19 1HD1 LEU 19 1.438 4.792 -8.352 46 HD12 LEU 19 2HD1 LEU 19 0.239 4.961 -7.049 47 HD13 LEU 19 3HD1 LEU 19 0.031 5.858 -8.572 48 HD21 LEU 19 1HD2 LEU 19 2.994 6.694 -8.865 49 HD22 LEU 19 2HD2 LEU 19 1.608 7.788 -9.093 50 HD23 LEU 19 3HD2 LEU 19 2.885 8.200 -7.923 51 H ASP 20 H ASP 20 0.491 8.927 -3.470 52 HA ASP 20 HA ASP 20 -1.973 10.346 -3.818 53 HB2 ASP 20 1HB ASP 20 -0.217 9.845 -1.389 54 HB3 ASP 20 2HB ASP 20 -1.743 10.713 -1.291 55 HA PRO 21 HA PRO 21 -0.975 14.541 -4.138 56 HB2 PRO 21 1HB PRO 21 -2.816 14.972 -1.756 57 HB3 PRO 21 2HB PRO 21 -2.806 15.803 -3.316 58 HG2 PRO 21 1HG PRO 21 -4.650 13.931 -2.900 59 HG3 PRO 21 2HG PRO 21 -3.818 13.974 -4.458 60 HD2 PRO 21 1HD PRO 21 -3.316 12.162 -2.064 61 HD3 PRO 21 2HD PRO 21 -3.350 11.743 -3.824 62 H GLU 22 H GLU 22 0.513 15.965 -3.300 63 HA GLU 22 HA GLU 22 2.284 15.037 -1.308 64 HB2 GLU 22 1HB GLU 22 1.846 17.793 -2.505 65 HB3 GLU 22 2HB GLU 22 3.117 17.474 -1.333 66 HG2 GLU 22 1HG GLU 22 4.263 17.238 -3.294 67 HG3 GLU 22 2HG GLU 22 3.802 15.566 -2.984 68 H GLN 23 H GLN 23 2.571 15.396 0.830 69 HA GLN 23 HA GLN 23 0.399 16.419 2.423 70 HB2 GLN 23 1HB GLN 23 1.888 14.760 3.370 71 HB3 GLN 23 2HB GLN 23 3.296 15.772 3.080 72 HG2 GLN 23 1HG GLN 23 2.780 15.862 5.399 73 HG3 GLN 23 2HG GLN 23 2.351 17.442 4.687 74 HE21 GLN 23 1HE2 GLN 23 -0.822 17.343 6.054 75 HE22 GLN 23 2HE2 GLN 23 0.593 18.240 5.616 76 H VAL 24 H VAL 24 -0.060 18.384 3.131 77 HA VAL 24 HA VAL 24 1.449 20.626 2.045 78 HB VAL 24 HB VAL 24 -0.932 20.529 3.946 79 HG11 VAL 24 1HG1 VAL 24 -1.243 22.891 3.388 80 HG12 VAL 24 2HG1 VAL 24 0.304 22.600 4.217 81 HG13 VAL 24 3HG1 VAL 24 0.274 22.870 2.458 82 HG21 VAL 24 1HG2 VAL 24 -2.218 21.142 1.923 83 HG22 VAL 24 2HG2 VAL 24 -0.728 21.060 0.953 84 HG23 VAL 24 3HG2 VAL 24 -1.382 19.586 1.707 85 H THR 25 H THR 25 2.982 21.794 2.984 86 HA THR 25 HA THR 25 4.034 21.116 5.568 87 HB THR 25 HB THR 25 5.417 22.132 3.764 88 HG1 THR 25 HG1 THR 25 5.750 22.433 6.183 89 HG21 THR 25 1HG2 THR 25 5.246 24.553 3.341 90 HG22 THR 25 2HG2 THR 25 3.737 23.722 2.896 91 HG23 THR 25 3HG2 THR 25 3.830 24.645 4.413 92 H CYS 26 H CYS 26 4.010 22.217 7.512 93 HA CYS 26 HA CYS 26 1.646 24.023 7.816 94 HB2 CYS 26 1HB CYS 26 2.714 22.003 9.825 95 HB3 CYS 26 2HB CYS 26 1.324 23.053 10.055 96 H GLU 27 H GLU 27 1.765 25.708 9.300 97 HA GLU 27 HA GLU 27 4.438 26.805 9.637 98 HB2 GLU 27 1HB GLU 27 1.717 27.778 10.599 99 HB3 GLU 27 2HB GLU 27 3.212 28.689 10.758 100 HG2 GLU 27 1HG GLU 27 3.447 28.733 8.307 101 HG3 GLU 27 2HG GLU 27 1.947 27.823 8.149 102 H SER 28 H SER 28 5.236 24.963 10.927 103 HA SER 28 HA SER 28 4.913 25.581 13.798 104 HB2 SER 28 1HB SER 28 3.247 23.841 13.429 105 HB3 SER 28 2HB SER 28 4.426 22.833 12.605 106 HG SER 28 HG SER 28 3.888 22.740 15.052 107 H GLN 29 H GLN 29 6.680 25.114 15.042 108 HA GLN 29 HA GLN 29 9.072 24.187 13.517 109 HB2 GLN 29 1HB GLN 29 8.935 25.874 16.049 110 HB3 GLN 29 2HB GLN 29 10.404 25.410 15.203 111 HG2 GLN 29 1HG GLN 29 8.198 27.134 14.056 112 HG3 GLN 29 2HG GLN 29 9.748 27.715 14.727 113 HE21 GLN 29 1HE2 GLN 29 9.558 26.983 10.877 114 HE22 GLN 29 2HE2 GLN 29 8.255 27.436 11.925 115 H GLU 30 H GLU 30 6.885 22.688 15.117 116 HA GLU 30 HA GLU 30 8.206 21.654 17.461 117 HB2 GLU 30 1HB GLU 30 5.841 20.654 15.830 118 HB3 GLU 30 2HB GLU 30 6.394 19.869 17.302 119 HG2 GLU 30 1HG GLU 30 5.990 21.964 18.554 120 HG3 GLU 30 2HG GLU 30 5.394 22.715 17.075 121 H GLY 31 H GLY 31 8.111 20.718 14.074 122 HA2 GLY 31 1HA GLY 31 10.495 19.185 14.213 123 HA3 GLY 31 2HA GLY 31 9.154 18.066 14.366 124 H THR 32 H THR 32 10.283 17.353 12.280 125 HA THR 32 HA THR 32 9.015 18.782 9.985 126 HB THR 32 HB THR 32 10.984 18.345 8.603 127 HG1 THR 32 HG1 THR 32 12.707 17.223 9.370 128 HG21 THR 32 1HG2 THR 32 12.612 19.820 9.717 129 HG22 THR 32 2HG2 THR 32 10.954 20.438 9.915 130 HG23 THR 32 3HG2 THR 32 11.759 19.601 11.263 131 H HIS 33 H HIS 33 9.060 17.357 7.964 132 HA HIS 33 HA HIS 33 9.108 14.460 8.468 133 HB2 HIS 33 1HB HIS 33 6.812 14.070 7.691 134 HB3 HIS 33 2HB HIS 33 6.827 14.995 9.186 135 HD1 HIS 33 HD1 HIS 33 6.232 17.570 9.012 136 HD2 HIS 33 HD2 HIS 33 5.627 15.449 5.421 137 HE1 HIS 33 HE1 HIS 33 4.778 18.973 7.637 138 H ALA 34 H ALA 34 8.770 13.200 6.505 139 HA ALA 34 HA ALA 34 9.931 14.678 4.214 140 HB1 ALA 34 1HB ALA 34 10.468 12.431 3.329 141 HB2 ALA 34 2HB ALA 34 11.119 12.667 4.969 142 HB3 ALA 34 3HB ALA 34 9.650 11.694 4.726 143 H SER 35 H SER 35 9.126 14.552 2.118 144 HA SER 35 HA SER 35 6.625 13.077 1.654 145 HB2 SER 35 1HB SER 35 5.811 15.226 2.511 146 HB3 SER 35 2HB SER 35 6.793 16.092 1.339 147 HG SER 35 HG SER 35 5.042 14.120 0.464 148 H TYR 36 H TYR 36 6.235 12.605 -0.484 149 HA TYR 36 HA TYR 36 8.626 12.900 -2.188 150 HB2 TYR 36 1HB TYR 36 7.693 10.661 -1.980 151 HB3 TYR 36 2HB TYR 36 6.099 11.228 -2.459 152 HD1 TYR 36 HD1 TYR 36 9.606 10.897 -3.689 153 HD2 TYR 36 HD2 TYR 36 5.448 11.215 -4.697 154 HE1 TYR 36 HE1 TYR 36 10.141 10.408 -6.052 155 HE2 TYR 36 HE2 TYR 36 5.983 10.725 -7.060 156 HH TYR 36 HH TYR 36 9.277 9.912 -8.070 157 H ASN 37 H ASN 37 8.832 14.498 -3.551 158 HA ASN 37 HA ASN 37 6.458 16.012 -4.405 159 HB2 ASN 37 1HB ASN 37 8.577 17.142 -3.710 160 HB3 ASN 37 2HB ASN 37 9.383 16.428 -5.100 161 HD21 ASN 37 1HD2 ASN 37 8.117 19.915 -5.787 162 HD22 ASN 37 2HD2 ASN 37 8.998 19.224 -4.465 163 H ARG 38 H ARG 38 5.262 15.271 -5.996 164 HA ARG 38 HA ARG 38 6.285 13.192 -7.727 165 HB2 ARG 38 1HB ARG 38 3.653 14.708 -7.750 166 HB3 ARG 38 2HB ARG 38 4.011 13.324 -8.771 167 HG2 ARG 38 1HG ARG 38 4.185 11.869 -6.855 168 HG3 ARG 38 2HG ARG 38 4.026 13.251 -5.744 169 HD2 ARG 38 1HD ARG 38 1.955 12.320 -7.720 170 HD3 ARG 38 2HD ARG 38 1.949 12.021 -5.967 171 HE ARG 38 HE ARG 38 2.158 14.781 -6.298 172 HH11 ARG 38 1HH1 ARG 38 -0.131 12.240 -7.101 173 HH12 ARG 38 2HH1 ARG 38 -1.524 13.294 -7.009 174 HH21 ARG 38 1HH2 ARG 38 0.342 16.139 -6.181 175 HH22 ARG 38 2HH2 ARG 38 -1.258 15.501 -6.488 176 H LYS 39 H LYS 39 6.242 16.606 -7.893 177 HA LYS 39 HA LYS 39 6.018 16.785 -10.798 178 HB2 LYS 39 1HB LYS 39 6.763 18.817 -8.661 179 HB3 LYS 39 2HB LYS 39 6.667 19.201 -10.374 180 HG2 LYS 39 1HG LYS 39 4.280 18.580 -10.387 181 HG3 LYS 39 2HG LYS 39 4.376 18.188 -8.664 182 HD2 LYS 39 1HD LYS 39 5.025 20.522 -8.165 183 HD3 LYS 39 2HD LYS 39 4.937 20.916 -9.889 184 HE2 LYS 39 1HE LYS 39 2.540 20.344 -9.910 185 HE3 LYS 39 2HE LYS 39 2.617 19.907 -8.201 186 HZ1 LYS 39 1HZ LYS 39 1.776 22.118 -8.510 187 HZ2 LYS 39 2HZ LYS 39 3.216 22.178 -7.708 188 HZ3 LYS 39 3HZ LYS 39 3.143 22.586 -9.304 189 H THR 40 H THR 40 8.542 16.249 -8.511 190 HA THR 40 HA THR 40 10.567 16.805 -10.639 191 HB THR 40 HB THR 40 12.210 17.168 -8.832 192 HG1 THR 40 HG1 THR 40 11.439 17.225 -6.667 193 HG21 THR 40 1HG2 THR 40 11.302 19.281 -7.948 194 HG22 THR 40 2HG2 THR 40 10.925 19.101 -9.678 195 HG23 THR 40 3HG2 THR 40 9.668 18.797 -8.457 196 H GLY 41 H GLY 41 9.209 14.486 -8.453 197 HA2 GLY 41 1HA GLY 41 9.523 12.155 -8.477 198 HA3 GLY 41 2HA GLY 41 10.834 12.346 -9.625 199 H GLN 42 H GLN 42 10.628 14.156 -6.600 200 HA GLN 42 HA GLN 42 12.860 12.526 -5.493 201 HB2 GLN 42 1HB GLN 42 12.858 15.557 -5.784 202 HB3 GLN 42 2HB GLN 42 14.045 14.638 -4.870 203 HG2 GLN 42 1HG GLN 42 14.725 13.473 -6.934 204 HG3 GLN 42 2HG GLN 42 13.551 14.461 -7.849 205 HE21 GLN 42 1HE2 GLN 42 16.938 15.985 -8.141 206 HE22 GLN 42 2HE2 GLN 42 16.246 14.441 -8.514 207 H CYS 43 H CYS 43 13.095 12.558 -3.263 208 HA CYS 43 HA CYS 43 10.661 13.369 -1.810 209 HB2 CYS 43 1HB CYS 43 13.142 11.847 -0.921 210 HB3 CYS 43 2HB CYS 43 11.764 12.193 0.115 211 H GLU 44 H GLU 44 10.498 14.992 -0.383 212 HA GLU 44 HA GLU 44 12.975 16.570 0.161 213 HB2 GLU 44 1HB GLU 44 10.223 17.644 -0.580 214 HB3 GLU 44 2HB GLU 44 11.570 18.634 -0.034 215 HG2 GLU 44 1HG GLU 44 12.881 17.958 -1.993 216 HG3 GLU 44 2HG GLU 44 11.555 16.932 -2.536 217 H GLU 45 H GLU 45 13.130 17.593 2.130 218 HA GLU 45 HA GLU 45 11.179 16.656 4.168 219 HB2 GLU 45 1HB GLU 45 13.592 16.193 4.561 220 HB3 GLU 45 2HB GLU 45 13.932 17.917 4.505 221 HG2 GLU 45 1HG GLU 45 12.525 18.271 6.486 222 HG3 GLU 45 2HG GLU 45 12.155 16.548 6.537 223 H GLN 46 H GLN 46 9.964 17.986 5.386 224 HA GLN 46 HA GLN 46 10.294 20.911 5.052 225 HB2 GLN 46 1HB GLN 46 7.947 21.225 4.421 226 HB3 GLN 46 2HB GLN 46 8.772 20.232 3.228 227 HG2 GLN 46 1HG GLN 46 7.800 18.206 4.282 228 HG3 GLN 46 2HG GLN 46 6.894 19.271 5.394 229 HE21 GLN 46 1HE2 GLN 46 4.334 18.763 2.991 230 HE22 GLN 46 2HE2 GLN 46 4.999 18.179 4.480 231 H LYS 47 H LYS 47 9.118 22.177 6.575 232 HA LYS 47 HA LYS 47 8.897 20.809 9.157 233 HB2 LYS 47 1HB LYS 47 8.544 23.724 8.354 234 HB3 LYS 47 2HB LYS 47 8.432 23.136 10.007 235 HG2 LYS 47 1HG LYS 47 10.771 22.373 9.908 236 HG3 LYS 47 2HG LYS 47 10.887 22.944 8.238 237 HD2 LYS 47 1HD LYS 47 10.414 25.248 8.977 238 HD3 LYS 47 2HD LYS 47 10.252 24.687 10.648 239 HE2 LYS 47 1HE LYS 47 12.606 23.907 10.606 240 HE3 LYS 47 2HE LYS 47 12.766 24.489 8.948 241 HZ1 LYS 47 1HZ LYS 47 13.618 26.065 10.522 242 HZ2 LYS 47 2HZ LYS 47 12.313 26.707 9.744 243 HZ3 LYS 47 3HZ LYS 47 12.164 26.163 11.294 244 H GLY 48 H GLY 48 7.096 20.693 10.478 245 HA2 GLY 48 1HA GLY 48 4.730 21.866 10.574 246 HA3 GLY 48 2HA GLY 48 4.479 20.979 9.082 247 H THR 49 H THR 49 2.688 20.244 10.715 248 HA THR 49 HA THR 49 3.697 17.807 12.123 249 HB THR 49 HB THR 49 1.806 18.088 13.730 250 HG1 THR 49 HG1 THR 49 0.484 19.398 12.347 251 HG21 THR 49 1HG2 THR 49 2.769 19.984 14.974 252 HG22 THR 49 2HG2 THR 49 4.051 18.956 14.290 253 HG23 THR 49 3HG2 THR 49 3.642 20.504 13.515 254 H GLU 50 H GLU 50 2.730 18.171 9.351 255 HA GLU 50 HA GLU 50 1.310 17.145 7.858 256 HB2 GLU 50 1HB GLU 50 0.932 15.163 10.140 257 HB3 GLU 50 2HB GLU 50 0.497 14.881 8.461 258 HG2 GLU 50 1HG GLU 50 2.860 15.073 7.809 259 HG3 GLU 50 2HG GLU 50 3.301 15.370 9.489 260 H CYS 51 H CYS 51 -0.063 19.065 8.121 261 HA CYS 51 HA CYS 51 -2.625 18.402 9.510 262 HB2 CYS 51 1HB CYS 51 -2.841 20.689 10.229 263 HB3 CYS 51 2HB CYS 51 -1.260 20.116 10.740 264 H GLY 52 H GLY 52 -2.850 17.590 7.142 265 HA2 GLY 52 1HA GLY 52 -4.808 18.219 5.720 266 HA3 GLY 52 2HA GLY 52 -4.119 19.827 5.601 267 H GLY 53 H GLY 53 -4.797 18.122 3.401 268 HA2 GLY 53 1HA GLY 53 -3.469 18.113 1.310 269 HA3 GLY 53 2HA GLY 53 -2.082 17.591 2.249 270 H GLY 54 H GLY 54 -1.830 15.763 0.881 271 HA2 GLY 54 1HA GLY 54 -3.961 13.699 0.962 272 HA3 GLY 54 2HA GLY 54 -2.515 13.659 -0.029 273 H GLU 55 H GLU 55 -2.358 11.428 0.789 274 HA GLU 55 HA GLU 55 -1.371 11.212 3.575 275 HB2 GLU 55 1HB GLU 55 -1.892 9.087 1.456 276 HB3 GLU 55 2HB GLU 55 -1.338 8.758 3.091 277 HG2 GLU 55 1HG GLU 55 -3.961 10.086 2.374 278 HG3 GLU 55 2HG GLU 55 -3.752 8.385 2.782 279 H ASN 56 H ASN 56 -0.016 12.375 0.978 280 HA ASN 56 HA ASN 56 2.315 10.651 0.673 281 HB2 ASN 56 1HB ASN 56 1.447 12.044 -1.182 282 HB3 ASN 56 2HB ASN 56 1.831 13.497 -0.269 283 HD21 ASN 56 1HD2 ASN 56 4.539 12.439 -2.725 284 HD22 ASN 56 2HD2 ASN 56 2.813 12.469 -2.869 285 H HIS 57 H HIS 57 2.853 10.512 2.947 286 HA HIS 57 HA HIS 57 4.974 12.477 3.519 287 HB2 HIS 57 1HB HIS 57 4.219 12.881 5.832 288 HB3 HIS 57 2HB HIS 57 3.087 13.528 4.653 289 HD2 HIS 57 HD2 HIS 57 0.414 12.440 4.825 290 HE1 HIS 57 HE1 HIS 57 1.402 9.646 7.869 291 HE2 HIS 57 HE2 HIS 57 -0.499 10.763 6.451 292 H PHE 58 H PHE 58 6.553 11.742 4.933 293 HA PHE 58 HA PHE 58 6.326 8.886 5.734 294 HB2 PHE 58 1HB PHE 58 8.643 10.040 4.131 295 HB3 PHE 58 2HB PHE 58 8.547 8.407 4.769 296 HD1 PHE 58 HD1 PHE 58 7.353 10.713 2.195 297 HD2 PHE 58 HD2 PHE 58 7.061 6.753 3.772 298 HE1 PHE 58 HE1 PHE 58 6.242 9.968 0.116 299 HE2 PHE 58 HE2 PHE 58 5.952 6.004 1.694 300 HZ PHE 58 HZ PHE 58 5.542 7.614 -0.135 301 H GLU 59 H GLU 59 7.843 8.205 7.316 302 HA GLU 59 HA GLU 59 8.322 10.188 9.329 303 HB2 GLU 59 1HB GLU 59 9.298 7.326 9.009 304 HB3 GLU 59 2HB GLU 59 9.653 8.307 10.425 305 HG2 GLU 59 1HG GLU 59 7.334 8.455 11.006 306 HG3 GLU 59 2HG GLU 59 6.843 7.729 9.477 307 H THR 60 H THR 60 10.447 8.555 6.989 308 HA THR 60 HA THR 60 12.454 10.698 7.507 309 HB THR 60 HB THR 60 14.291 9.092 7.344 310 HG1 THR 60 HG1 THR 60 13.222 6.750 7.573 311 HG21 THR 60 1HG2 THR 60 13.925 7.830 9.428 312 HG22 THR 60 2HG2 THR 60 13.325 9.498 9.581 313 HG23 THR 60 3HG2 THR 60 12.180 8.160 9.327 314 H LEU 61 H LEU 61 14.042 10.937 5.754 315 HA LEU 61 HA LEU 61 12.751 11.008 3.185 316 HB2 LEU 61 1HB LEU 61 15.634 11.398 4.046 317 HB3 LEU 61 2HB LEU 61 15.085 11.608 2.381 318 HG LEU 61 HG LEU 61 14.041 13.209 4.742 319 HD11 LEU 61 1HD1 LEU 61 15.437 15.023 3.855 320 HD12 LEU 61 2HD1 LEU 61 16.417 13.629 4.369 321 HD13 LEU 61 3HD1 LEU 61 16.108 13.911 2.639 322 HD21 LEU 61 1HD2 LEU 61 13.123 14.650 2.956 323 HD22 LEU 61 2HD2 LEU 61 13.762 13.533 1.726 324 HD23 LEU 61 3HD2 LEU 61 12.480 12.995 2.837 325 H LEU 62 H LEU 62 14.969 8.765 4.758 326 HA LEU 62 HA LEU 62 15.548 7.194 2.425 327 HB2 LEU 62 1HB LEU 62 15.556 6.526 5.386 328 HB3 LEU 62 2HB LEU 62 16.105 5.409 4.133 329 HG LEU 62 HG LEU 62 17.333 8.135 4.680 330 HD11 LEU 62 1HD1 LEU 62 19.176 6.852 5.671 331 HD12 LEU 62 2HD1 LEU 62 17.651 6.603 6.554 332 HD13 LEU 62 3HD1 LEU 62 18.252 5.349 5.443 333 HD21 LEU 62 1HD2 LEU 62 19.123 7.291 3.200 334 HD22 LEU 62 2HD2 LEU 62 18.199 5.792 2.936 335 HD23 LEU 62 3HD2 LEU 62 17.561 7.347 2.348 336 H LYS 63 H LYS 63 13.037 6.997 4.941 337 HA LYS 63 HA LYS 63 11.759 4.647 3.954 338 HB2 LYS 63 1HB LYS 63 11.303 5.684 6.179 339 HB3 LYS 63 2HB LYS 63 10.511 7.033 5.376 340 HG2 LYS 63 1HG LYS 63 8.763 5.581 4.529 341 HG3 LYS 63 2HG LYS 63 9.596 4.152 5.157 342 HD2 LYS 63 1HD LYS 63 9.363 5.058 7.466 343 HD3 LYS 63 2HD LYS 63 8.473 6.442 6.814 344 HE2 LYS 63 1HE LYS 63 6.725 4.953 5.956 345 HE3 LYS 63 2HE LYS 63 7.628 3.538 6.503 346 HZ1 LYS 63 1HZ LYS 63 5.905 4.134 8.042 347 HZ2 LYS 63 2HZ LYS 63 7.380 4.323 8.757 348 HZ3 LYS 63 3HZ LYS 63 6.535 5.644 8.246 349 H CYS 64 H CYS 64 11.323 8.088 3.157 350 HA CYS 64 HA CYS 64 9.214 7.754 1.284 351 HB2 CYS 64 1HB CYS 64 9.966 9.956 2.132 352 HB3 CYS 64 2HB CYS 64 11.487 9.778 1.268 353 H ASN 65 H ASN 65 12.760 7.808 0.795 354 HA ASN 65 HA ASN 65 12.687 7.464 -2.021 355 HB2 ASN 65 1HB ASN 65 14.767 6.765 0.064 356 HB3 ASN 65 2HB ASN 65 15.032 6.492 -1.652 357 HD21 ASN 65 1HD2 ASN 65 16.352 9.830 -0.579 358 HD22 ASN 65 2HD2 ASN 65 16.543 8.216 0.019 359 H GLU 66 H GLU 66 12.929 5.033 0.579 360 HA GLU 66 HA GLU 66 13.195 2.803 -1.188 361 HB2 GLU 66 1HB GLU 66 12.226 3.027 1.685 362 HB3 GLU 66 2HB GLU 66 12.399 1.487 0.855 363 HG2 GLU 66 1HG GLU 66 14.786 1.876 0.556 364 HG3 GLU 66 2HG GLU 66 14.641 3.473 1.286 365 H SER 67 H SER 67 10.364 4.326 0.335 366 HA SER 67 HA SER 67 8.447 2.412 -0.556 367 HB2 SER 67 1HB SER 67 8.168 5.371 0.059 368 HB3 SER 67 2HB SER 67 6.813 4.289 -0.221 369 HG SER 67 HG SER 67 8.679 4.325 1.850 370 H CYS 68 H CYS 68 9.724 5.376 -2.048 371 HA CYS 68 HA CYS 68 7.879 5.203 -4.298 372 HB2 CYS 68 1HB CYS 68 10.358 6.915 -3.863 373 HB3 CYS 68 2HB CYS 68 9.247 7.083 -5.216 374 H ASN 69 H ASN 69 10.996 3.920 -3.501 375 HA ASN 69 HA ASN 69 11.666 3.176 -6.238 376 HB2 ASN 69 1HB ASN 69 12.670 2.286 -3.523 377 HB3 ASN 69 2HB ASN 69 13.235 1.559 -5.021 378 HD21 ASN 69 1HD2 ASN 69 15.475 4.358 -3.945 379 HD22 ASN 69 2HD2 ASN 69 14.839 2.954 -3.154 380 H ASP 70 H ASP 70 9.879 1.729 -3.565 381 HA ASP 70 HA ASP 70 9.422 -0.788 -4.906 382 HB2 ASP 70 1HB ASP 70 7.977 0.652 -2.655 383 HB3 ASP 70 2HB ASP 70 7.459 -0.915 -3.263 384 H ALA 71 H ALA 71 7.917 2.380 -4.997 385 HA ALA 71 HA ALA 71 5.507 1.651 -6.316 386 HB1 ALA 71 1HB ALA 71 5.458 4.003 -7.082 387 HB2 ALA 71 2HB ALA 71 5.873 3.880 -5.356 388 HB3 ALA 71 3HB ALA 71 7.146 4.200 -6.557 389 HA PRO 72 HA PRO 72 6.939 0.460 -10.169 390 HB2 PRO 72 1HB PRO 72 4.635 0.407 -11.608 391 HB3 PRO 72 2HB PRO 72 4.851 -0.637 -10.197 392 HG2 PRO 72 1HG PRO 72 3.410 2.043 -10.387 393 HG3 PRO 72 2HG PRO 72 2.837 0.544 -9.651 394 HD2 PRO 72 1HD PRO 72 4.000 2.551 -8.177 395 HD3 PRO 72 2HD PRO 72 4.152 0.805 -7.728 396 H LYS 73 H LYS 73 6.345 3.602 -9.558 397 HA LYS 73 HA LYS 73 5.729 4.823 -12.032 398 HB2 LYS 73 1HB LYS 73 5.779 5.976 -9.806 399 HB3 LYS 73 2HB LYS 73 7.536 5.909 -9.836 400 HG2 LYS 73 1HG LYS 73 7.629 7.369 -11.759 401 HG3 LYS 73 2HG LYS 73 5.870 7.316 -11.940 402 HD2 LYS 73 1HD LYS 73 5.603 8.397 -9.734 403 HD3 LYS 73 2HD LYS 73 7.362 8.439 -9.539 404 HE2 LYS 73 1HE LYS 73 7.557 9.874 -11.537 405 HE3 LYS 73 2HE LYS 73 5.807 9.819 -11.759 406 HZ1 LYS 73 1HZ LYS 73 6.492 11.808 -10.636 407 HZ2 LYS 73 2HZ LYS 73 5.562 10.893 -9.627 408 HZ3 LYS 73 3HZ LYS 73 7.197 10.946 -9.421 409 HA PRO 74 HA PRO 74 9.121 3.731 -14.519 410 HB2 PRO 74 1HB PRO 74 8.312 6.310 -15.923 411 HB3 PRO 74 2HB PRO 74 8.658 4.725 -16.627 412 HG2 PRO 74 1HG PRO 74 6.114 5.444 -16.354 413 HG3 PRO 74 2HG PRO 74 6.581 3.798 -15.917 414 HD2 PRO 74 1HD PRO 74 6.086 6.195 -14.110 415 HD3 PRO 74 2HD PRO 74 5.590 4.471 -13.879 416 HA PRO 75 HA PRO 75 12.290 6.262 -12.648 417 HB2 PRO 75 1HB PRO 75 13.880 4.889 -14.843 418 HB3 PRO 75 2HB PRO 75 14.279 5.076 -13.130 419 HG2 PRO 75 1HG PRO 75 13.374 2.716 -13.964 420 HG3 PRO 75 2HG PRO 75 12.760 3.376 -12.445 421 HD2 PRO 75 1HD PRO 75 11.467 3.392 -15.203 422 HD3 PRO 75 2HD PRO 75 10.717 3.038 -13.595 423 H CYS 76 H CYS 76 11.566 5.954 -16.097 424 HA CYS 76 HA CYS 76 13.197 8.014 -17.130 425 HB2 CYS 76 1HB CYS 76 11.957 6.432 -18.555 426 HB3 CYS 76 2HB CYS 76 10.429 7.126 -18.032 427 H SER 77 H SER 77 10.204 8.152 -15.314 428 HA SER 77 HA SER 77 9.685 10.937 -16.119 429 HB2 SER 77 1HB SER 77 7.653 10.722 -14.819 430 HB3 SER 77 2HB SER 77 7.831 9.312 -15.852 431 HG SER 77 HG SER 77 8.914 8.372 -13.956 432 H LEU 78 H LEU 78 11.850 9.622 -14.108 433 HA LEU 78 HA LEU 78 11.364 11.545 -11.884 434 HB2 LEU 78 1HB LEU 78 13.266 9.178 -11.980 435 HB3 LEU 78 2HB LEU 78 12.881 10.166 -10.567 436 HG LEU 78 HG LEU 78 10.969 8.301 -12.017 437 HD11 LEU 78 1HD1 LEU 78 11.118 6.986 -9.950 438 HD12 LEU 78 2HD1 LEU 78 12.701 7.141 -10.746 439 HD13 LEU 78 3HD1 LEU 78 12.326 8.126 -9.312 440 HD21 LEU 78 1HD2 LEU 78 9.438 8.840 -10.153 441 HD22 LEU 78 2HD2 LEU 78 10.623 10.007 -9.517 442 HD23 LEU 78 3HD2 LEU 78 9.843 10.298 -11.090 443 H GLU 79 H GLU 79 12.891 13.005 -11.234 444 HA GLU 79 HA GLU 79 14.678 13.937 -13.308 445 HB2 GLU 79 1HB GLU 79 13.512 15.461 -11.722 446 HB3 GLU 79 2HB GLU 79 14.446 14.790 -10.393 447 HG2 GLU 79 1HG GLU 79 16.507 15.646 -11.342 448 HG3 GLU 79 2HG GLU 79 15.652 16.206 -12.778 449 H VAL 80 H VAL 80 16.897 13.992 -13.386 450 HA VAL 80 HA VAL 80 18.484 11.914 -12.601 451 HB VAL 80 HB VAL 80 19.235 14.866 -12.659 452 HG11 VAL 80 1HG1 VAL 80 21.550 14.117 -12.913 453 HG12 VAL 80 2HG1 VAL 80 20.863 13.638 -11.343 454 HG13 VAL 80 3HG1 VAL 80 21.035 12.436 -12.644 455 HG21 VAL 80 1HG2 VAL 80 20.089 14.294 -14.910 456 HG22 VAL 80 2HG2 VAL 80 19.522 12.621 -14.698 457 HG23 VAL 80 3HG2 VAL 80 18.347 13.955 -14.778 458 H ASP 81 H ASP 81 19.319 11.068 -10.809 459 HA ASP 81 HA ASP 81 19.541 12.738 -8.377 460 HB2 ASP 81 1HB ASP 81 17.278 11.689 -8.279 461 HB3 ASP 81 2HB ASP 81 18.019 10.100 -8.420 462 H TYR 82 H TYR 82 21.753 12.584 -8.498 463 HA TYR 82 HA TYR 82 22.912 9.848 -8.353 464 HB2 TYR 82 1HB TYR 82 25.101 11.068 -8.669 465 HB3 TYR 82 2HB TYR 82 23.985 11.196 -10.022 466 HD1 TYR 82 HD1 TYR 82 25.463 12.992 -7.152 467 HD2 TYR 82 HD2 TYR 82 23.042 13.292 -10.682 468 HE1 TYR 82 HE1 TYR 82 25.626 15.456 -7.055 469 HE2 TYR 82 HE2 TYR 82 23.205 15.756 -10.584 470 HH TYR 82 HH TYR 82 25.031 17.378 -7.998 471 H GLY 83 H GLY 83 21.496 11.557 -6.192 472 HA2 GLY 83 1HA GLY 83 21.628 11.297 -3.869 473 HA3 GLY 83 2HA GLY 83 23.176 10.495 -4.058 474 H VAL 84 H VAL 84 23.359 11.978 -2.023 475 HA VAL 84 HA VAL 84 24.733 14.460 -2.957 476 HB VAL 84 HB VAL 84 24.072 15.517 -0.780 477 HG11 VAL 84 1HG1 VAL 84 21.761 16.005 -1.419 478 HG12 VAL 84 2HG1 VAL 84 22.858 16.029 -2.820 479 HG13 VAL 84 3HG1 VAL 84 21.785 14.634 -2.552 480 HG21 VAL 84 1HG2 VAL 84 22.215 14.491 0.494 481 HG22 VAL 84 2HG2 VAL 84 22.262 13.074 -0.582 482 HG23 VAL 84 3HG2 VAL 84 23.646 13.434 0.478 483 H GLY 85 H GLY 85 26.047 12.042 -2.746 484 HA2 GLY 85 1HA GLY 85 27.301 11.911 -0.070 485 HA3 GLY 85 2HA GLY 85 27.537 10.780 -1.389 486 H ARG 86 H ARG 86 29.806 10.876 -1.163 487 HA ARG 86 HA ARG 86 31.023 13.462 -2.040 488 HB2 ARG 86 1HB ARG 86 32.065 11.514 0.044 489 HB3 ARG 86 2HB ARG 86 32.987 12.862 -0.604 490 HG2 ARG 86 1HG ARG 86 30.364 13.145 0.884 491 HG3 ARG 86 2HG ARG 86 31.982 13.318 1.608 492 HD2 ARG 86 1HD ARG 86 32.465 15.154 0.105 493 HD3 ARG 86 2HD ARG 86 30.861 14.974 -0.641 494 HE ARG 86 HE ARG 86 31.487 16.094 1.994 495 HH11 ARG 86 1HH1 ARG 86 29.034 14.994 -0.267 496 HH12 ARG 86 2HH1 ARG 86 27.738 15.865 0.521 497 HH21 ARG 86 1HH2 ARG 86 29.796 17.220 3.009 498 HH22 ARG 86 2HH2 ARG 86 28.168 17.125 2.375 499 H ALA 87 H ALA 87 30.456 10.293 -2.812 500 HA ALA 87 HA ALA 87 33.042 9.712 -4.038 501 HB1 ALA 87 1HB ALA 87 31.881 7.734 -4.965 502 HB2 ALA 87 2HB ALA 87 31.626 7.887 -3.210 503 HB3 ALA 87 3HB ALA 87 30.337 8.358 -4.342 504 H ASN 88 H ASN 88 33.247 9.219 -6.355 505 HA ASN 88 HA ASN 88 31.445 10.871 -8.055 506 HB2 ASN 88 1HB ASN 88 34.480 10.916 -8.139 507 HB3 ASN 88 2HB ASN 88 33.423 11.685 -9.316 508 HD21 ASN 88 1HD2 ASN 88 34.341 13.513 -5.860 509 HD22 ASN 88 2HD2 ASN 88 35.027 12.001 -6.354 510 H ILE 89 H ILE 89 30.633 8.598 -8.276 511 HA ILE 89 HA ILE 89 32.279 7.049 -10.212 512 HB ILE 89 HB ILE 89 29.806 6.250 -8.619 513 HG12 ILE 89 1HG1 ILE 89 32.660 5.288 -8.345 514 HG13 ILE 89 2HG1 ILE 89 31.952 6.549 -7.347 515 HG21 ILE 89 1HG2 ILE 89 30.242 3.988 -9.486 516 HG22 ILE 89 2HG2 ILE 89 29.892 5.124 -10.810 517 HG23 ILE 89 3HG2 ILE 89 31.569 4.623 -10.488 518 HD11 ILE 89 1HD1 ILE 89 31.902 4.400 -6.211 519 HD12 ILE 89 2HD1 ILE 89 30.249 4.973 -6.540 520 HD13 ILE 89 3HD1 ILE 89 30.967 3.695 -7.549 521 HA PRO 90 HA PRO 90 29.818 8.869 -13.401 522 HB2 PRO 90 1HB PRO 90 31.124 6.561 -14.891 523 HB3 PRO 90 2HB PRO 90 30.965 8.252 -15.382 524 HG2 PRO 90 1HG PRO 90 33.317 7.430 -14.451 525 HG3 PRO 90 2HG PRO 90 32.687 8.989 -13.910 526 HD2 PRO 90 1HD PRO 90 32.647 6.303 -12.477 527 HD3 PRO 90 2HD PRO 90 33.017 7.944 -11.812 528 H ARG 91 H ARG 91 27.702 8.379 -13.104 529 HA ARG 91 HA ARG 91 26.827 5.685 -14.044 530 HB2 ARG 91 1HB ARG 91 25.706 7.263 -11.705 531 HB3 ARG 91 2HB ARG 91 24.926 5.856 -12.411 532 HG2 ARG 91 1HG ARG 91 27.723 5.765 -11.270 533 HG3 ARG 91 2HG ARG 91 26.256 5.458 -10.309 534 HD2 ARG 91 1HD ARG 91 27.089 3.962 -12.784 535 HD3 ARG 91 2HD ARG 91 27.279 3.405 -11.106 536 HE ARG 91 HE ARG 91 24.574 4.056 -11.491 537 HH11 ARG 91 1HH1 ARG 91 26.931 1.728 -12.660 538 HH12 ARG 91 2HH1 ARG 91 25.738 0.486 -12.967 539 HH21 ARG 91 1HH2 ARG 91 23.034 2.435 -11.894 540 HH22 ARG 91 2HH2 ARG 91 23.532 0.885 -12.534 541 H TRP 92 H TRP 92 24.838 5.601 -15.131 542 HA TRP 92 HA TRP 92 24.389 8.066 -16.660 543 HB2 TRP 92 1HB TRP 92 23.343 5.225 -16.940 544 HB3 TRP 92 2HB TRP 92 22.837 6.540 -17.992 545 HD1 TRP 92 HD1 TRP 92 25.676 4.104 -17.414 546 HE1 TRP 92 HE1 TRP 92 27.464 4.382 -19.261 547 HE3 TRP 92 HE3 TRP 92 23.934 8.427 -19.553 548 HZ2 TRP 92 HZ2 TRP 92 28.034 6.202 -21.342 549 HZ3 TRP 92 HZ3 TRP 92 25.148 9.386 -21.469 550 HH2 TRP 92 HH2 TRP 92 27.165 8.294 -22.356 551 H TYR 93 H TYR 93 22.784 9.451 -16.410 552 HA TYR 93 HA TYR 93 20.310 8.507 -15.038 553 HB2 TYR 93 1HB TYR 93 21.736 11.150 -14.524 554 HB3 TYR 93 2HB TYR 93 20.169 10.696 -13.867 555 HD1 TYR 93 HD1 TYR 93 23.790 10.174 -13.684 556 HD2 TYR 93 HD2 TYR 93 19.969 9.019 -12.111 557 HE1 TYR 93 HE1 TYR 93 24.906 9.122 -11.746 558 HE2 TYR 93 HE2 TYR 93 21.085 7.967 -10.172 559 HH TYR 93 HH TYR 93 23.014 7.533 -9.172 560 H TYR 94 H TYR 94 18.395 9.361 -15.725 561 HA TYR 94 HA TYR 94 18.528 10.628 -18.390 562 HB2 TYR 94 1HB TYR 94 17.063 8.656 -18.051 563 HB3 TYR 94 2HB TYR 94 16.162 9.530 -16.820 564 HD1 TYR 94 HD1 TYR 94 17.123 9.666 -20.424 565 HD2 TYR 94 HD2 TYR 94 14.324 10.842 -17.392 566 HE1 TYR 94 HE1 TYR 94 15.616 10.566 -22.163 567 HE2 TYR 94 HE2 TYR 94 12.817 11.741 -19.132 568 HH TYR 94 HH TYR 94 12.457 11.979 -21.311 569 H ASP 95 H ASP 95 18.404 12.717 -18.676 570 HA ASP 95 HA ASP 95 17.331 14.429 -16.527 571 HB2 ASP 95 1HB ASP 95 19.430 15.065 -17.697 572 HB3 ASP 95 2HB ASP 95 18.556 15.153 -19.220 573 H THR 96 H THR 96 15.242 14.816 -16.405 574 HA THR 96 HA THR 96 13.507 14.151 -18.644 575 HB THR 96 HB THR 96 11.661 14.731 -17.112 576 HG1 THR 96 HG1 THR 96 12.709 16.511 -16.072 577 HG21 THR 96 1HG2 THR 96 12.158 13.108 -15.325 578 HG22 THR 96 2HG2 THR 96 12.726 12.511 -16.903 579 HG23 THR 96 3HG2 THR 96 13.887 13.182 -15.734 580 H ASN 97 H ASN 97 15.057 17.000 -17.501 581 HA ASN 97 HA ASN 97 13.075 18.818 -18.688 582 HB2 ASN 97 1HB ASN 97 15.750 19.263 -17.333 583 HB3 ASN 97 2HB ASN 97 14.800 20.566 -18.035 584 HD21 ASN 97 1HD2 ASN 97 14.086 20.136 -14.374 585 HD22 ASN 97 2HD2 ASN 97 15.547 20.267 -15.295 586 H ASN 98 H ASN 98 16.247 17.491 -19.464 587 HA ASN 98 HA ASN 98 16.165 18.992 -22.042 588 HB2 ASN 98 1HB ASN 98 18.444 17.634 -20.571 589 HB3 ASN 98 2HB ASN 98 18.578 18.244 -22.215 590 HD21 ASN 98 1HD2 ASN 98 19.090 20.692 -19.120 591 HD22 ASN 98 2HD2 ASN 98 19.026 18.965 -19.012 592 H ALA 99 H ALA 99 15.346 16.049 -20.740 593 HA ALA 99 HA ALA 99 14.828 14.017 -21.672 594 HB1 ALA 99 1HB ALA 99 14.069 14.035 -24.027 595 HB2 ALA 99 2HB ALA 99 13.406 15.408 -23.110 596 HB3 ALA 99 3HB ALA 99 14.764 15.659 -24.230 597 H THR 100 H THR 100 17.388 14.056 -21.095 598 HA THR 100 HA THR 100 18.585 12.465 -23.263 599 HB THR 100 HB THR 100 19.318 14.788 -23.793 600 HG1 THR 100 HG1 THR 100 21.723 13.925 -22.993 601 HG21 THR 100 1HG2 THR 100 20.852 15.939 -22.247 602 HG22 THR 100 2HG2 THR 100 19.255 15.700 -21.498 603 HG23 THR 100 3HG2 THR 100 20.617 14.649 -21.046 604 H CYS 101 H CYS 101 20.228 11.089 -22.603 605 HA CYS 101 HA CYS 101 20.322 10.739 -19.645 606 HB2 CYS 101 1HB CYS 101 19.418 8.837 -20.956 607 HB3 CYS 101 2HB CYS 101 20.915 8.752 -21.873 608 H GLU 102 H GLU 102 22.112 11.257 -18.607 609 HA GLU 102 HA GLU 102 24.690 11.198 -20.101 610 HB2 GLU 102 1HB GLU 102 23.659 13.511 -18.409 611 HB3 GLU 102 2HB GLU 102 25.289 13.387 -19.055 612 HG2 GLU 102 1HG GLU 102 24.371 13.397 -21.348 613 HG3 GLU 102 2HG GLU 102 22.746 13.552 -20.686 614 H MET 103 H MET 103 26.593 11.347 -18.688 615 HA MET 103 HA MET 103 26.166 9.678 -16.301 616 HB2 MET 103 1HB MET 103 28.671 10.671 -17.710 617 HB3 MET 103 2HB MET 103 28.704 9.696 -16.248 618 HG2 MET 103 1HG MET 103 27.551 7.869 -17.426 619 HG3 MET 103 2HG MET 103 27.483 8.850 -18.892 620 HE1 MET 103 1HE MET 103 31.104 8.986 -20.147 621 HE2 MET 103 2HE MET 103 29.380 9.173 -20.551 622 HE3 MET 103 3HE MET 103 30.129 10.233 -19.333 623 H PHE 104 H PHE 104 26.225 10.301 -14.262 624 HA PHE 104 HA PHE 104 27.315 13.021 -13.676 625 HB2 PHE 104 1HB PHE 104 24.821 11.710 -12.528 626 HB3 PHE 104 2HB PHE 104 25.563 13.154 -11.857 627 HD1 PHE 104 HD1 PHE 104 23.836 11.766 -14.813 628 HD2 PHE 104 HD2 PHE 104 25.256 15.289 -12.857 629 HE1 PHE 104 HE1 PHE 104 22.541 13.162 -16.389 630 HE2 PHE 104 HE2 PHE 104 23.960 16.688 -14.430 631 HZ PHE 104 HZ PHE 104 22.603 15.623 -16.198 632 H THR 105 H THR 105 27.915 13.322 -11.379 633 HA THR 105 HA THR 105 29.652 11.106 -10.633 634 HB THR 105 HB THR 105 30.391 12.641 -8.794 635 HG1 THR 105 HG1 THR 105 29.260 14.387 -8.352 636 HG21 THR 105 1HG2 THR 105 31.366 14.361 -10.265 637 HG22 THR 105 2HG2 THR 105 31.444 12.754 -11.027 638 HG23 THR 105 3HG2 THR 105 30.211 13.927 -11.546 639 H TYR 106 H TYR 106 28.295 9.418 -10.048 640 HA TYR 106 HA TYR 106 26.235 9.537 -8.118 641 HB2 TYR 106 1HB TYR 106 26.710 7.563 -9.557 642 HB3 TYR 106 2HB TYR 106 28.186 7.260 -8.651 643 HD1 TYR 106 HD1 TYR 106 24.655 8.078 -7.666 644 HD2 TYR 106 HD2 TYR 106 27.992 5.403 -7.322 645 HE1 TYR 106 HE1 TYR 106 23.385 6.700 -6.055 646 HE2 TYR 106 HE2 TYR 106 26.721 4.024 -5.712 647 HH TYR 106 HH TYR 106 24.856 3.846 -4.513 648 H GLY 107 H GLY 107 26.285 10.274 -6.134 649 HA2 GLY 107 1HA GLY 107 28.830 10.718 -4.788 650 HA3 GLY 107 2HA GLY 107 27.241 11.158 -4.191 651 H GLY 108 H GLY 108 26.368 8.265 -4.770 652 HA2 GLY 108 1HA GLY 108 27.230 6.105 -3.758 653 HA3 GLY 108 2HA GLY 108 27.610 7.045 -2.328 654 H ILE 109 H ILE 109 24.929 8.534 -3.353 655 HA ILE 109 HA ILE 109 23.118 6.683 -1.867 656 HB ILE 109 HB ILE 109 22.942 9.704 -2.240 657 HG12 ILE 109 1HG1 ILE 109 23.395 8.099 0.284 658 HG13 ILE 109 2HG1 ILE 109 24.683 8.844 -0.650 659 HG21 ILE 109 1HG2 ILE 109 21.005 9.561 -0.728 660 HG22 ILE 109 2HG2 ILE 109 20.714 8.647 -2.226 661 HG23 ILE 109 3HG2 ILE 109 21.131 7.786 -0.726 662 HD11 ILE 109 1HD1 ILE 109 24.053 10.236 1.241 663 HD12 ILE 109 2HD1 ILE 109 23.679 11.058 -0.294 664 HD13 ILE 109 3HD1 ILE 109 22.375 10.304 0.654 665 H THR 110 H THR 110 21.708 5.611 -3.038 666 HA THR 110 HA THR 110 21.458 6.089 -5.857 667 HB THR 110 HB THR 110 19.795 4.324 -4.009 668 HG1 THR 110 HG1 THR 110 22.303 4.134 -4.951 669 HG21 THR 110 1HG2 THR 110 19.150 3.150 -6.076 670 HG22 THR 110 2HG2 THR 110 18.613 4.846 -6.114 671 HG23 THR 110 3HG2 THR 110 20.046 4.346 -7.040 672 H GLY 111 H GLY 111 19.214 6.586 -3.123 673 HA2 GLY 111 1HA GLY 111 17.478 8.124 -2.905 674 HA3 GLY 111 2HA GLY 111 18.002 8.885 -4.396 675 H ASN 112 H ASN 112 16.600 8.797 -6.025 676 HA ASN 112 HA ASN 112 14.304 6.969 -5.833 677 HB2 ASN 112 1HB ASN 112 13.337 8.268 -7.602 678 HB3 ASN 112 2HB ASN 112 14.050 9.382 -6.443 679 HD21 ASN 112 1HD2 ASN 112 15.270 10.923 -9.365 680 HD22 ASN 112 2HD2 ASN 112 14.005 10.922 -8.182 681 H LYS 113 H LYS 113 13.633 6.555 -8.465 682 HA LYS 113 HA LYS 113 15.228 4.118 -8.730 683 HB2 LYS 113 1HB LYS 113 12.788 5.113 -10.257 684 HB3 LYS 113 2HB LYS 113 13.522 3.530 -10.470 685 HG2 LYS 113 1HG LYS 113 12.939 2.867 -8.233 686 HG3 LYS 113 2HG LYS 113 12.420 4.509 -7.825 687 HD2 LYS 113 1HD LYS 113 10.430 3.271 -8.270 688 HD3 LYS 113 2HD LYS 113 10.690 4.308 -9.680 689 HE2 LYS 113 1HE LYS 113 11.735 2.407 -10.878 690 HE3 LYS 113 2HE LYS 113 11.459 1.372 -9.474 691 HZ1 LYS 113 1HZ LYS 113 9.755 1.098 -11.121 692 HZ2 LYS 113 2HZ LYS 113 9.102 1.732 -9.746 693 HZ3 LYS 113 3HZ LYS 113 9.360 2.698 -11.058 694 H ASN 114 H ASN 114 15.473 7.214 -9.970 695 HA ASN 114 HA ASN 114 16.244 6.536 -12.688 696 HB2 ASN 114 1HB ASN 114 15.314 8.760 -11.976 697 HB3 ASN 114 2HB ASN 114 16.821 9.072 -11.125 698 HD21 ASN 114 1HD2 ASN 114 16.771 10.477 -14.640 699 HD22 ASN 114 2HD2 ASN 114 15.597 10.490 -13.366 700 H ASN 115 H ASN 115 17.817 4.992 -12.639 701 HA ASN 115 HA ASN 115 20.502 6.015 -12.462 702 HB2 ASN 115 1HB ASN 115 20.034 5.658 -10.037 703 HB3 ASN 115 2HB ASN 115 19.722 3.959 -10.368 704 HD21 ASN 115 1HD2 ASN 115 23.221 4.365 -9.214 705 HD22 ASN 115 2HD2 ASN 115 21.657 4.758 -8.582 706 H PHE 116 H PHE 116 21.194 5.206 -14.318 707 HA PHE 116 HA PHE 116 20.137 2.515 -15.073 708 HB2 PHE 116 1HB PHE 116 20.905 4.839 -16.884 709 HB3 PHE 116 2HB PHE 116 20.250 3.296 -17.409 710 HD1 PHE 116 HD1 PHE 116 19.503 6.548 -15.968 711 HD2 PHE 116 HD2 PHE 116 17.903 2.703 -16.922 712 HE1 PHE 116 HE1 PHE 116 17.211 7.447 -15.743 713 HE2 PHE 116 HE2 PHE 116 15.610 3.599 -16.700 714 HZ PHE 116 HZ PHE 116 15.265 5.973 -16.109 715 H GLU 117 H GLU 117 21.435 1.180 -16.444 716 HA GLU 117 HA GLU 117 24.267 1.296 -15.697 717 HB2 GLU 117 1HB GLU 117 22.727 -0.687 -17.422 718 HB3 GLU 117 2HB GLU 117 24.401 -0.874 -16.921 719 HG2 GLU 117 1HG GLU 117 21.992 -0.777 -15.092 720 HG3 GLU 117 2HG GLU 117 22.899 -2.215 -15.556 721 H SER 118 H SER 118 22.275 2.085 -18.442 722 HA SER 118 HA SER 118 24.634 3.130 -19.851 723 HB2 SER 118 1HB SER 118 24.268 1.892 -21.887 724 HB3 SER 118 2HB SER 118 24.486 0.750 -20.570 725 HG SER 118 HG SER 118 22.644 0.009 -21.015 726 H GLU 119 H GLU 119 24.055 4.391 -21.767 727 HA GLU 119 HA GLU 119 21.688 5.983 -21.328 728 HB2 GLU 119 1HB GLU 119 22.371 7.205 -23.307 729 HB3 GLU 119 2HB GLU 119 23.798 6.864 -22.339 730 HG2 GLU 119 1HG GLU 119 23.030 5.032 -24.593 731 HG3 GLU 119 2HG GLU 119 23.859 6.553 -24.917 732 H GLU 120 H GLU 120 22.348 3.088 -23.099 733 HA GLU 120 HA GLU 120 20.048 3.246 -24.851 734 HB2 GLU 120 1HB GLU 120 21.706 0.895 -23.860 735 HB3 GLU 120 2HB GLU 120 20.404 0.741 -25.030 736 HG2 GLU 120 1HG GLU 120 22.901 2.413 -25.393 737 HG3 GLU 120 2HG GLU 120 22.625 0.810 -26.072 738 H GLU 121 H GLU 121 20.666 1.834 -21.643 739 HA GLU 121 HA GLU 121 18.068 0.720 -21.266 740 HB2 GLU 121 1HB GLU 121 20.104 0.282 -19.835 741 HB3 GLU 121 2HB GLU 121 19.909 1.884 -19.139 742 HG2 GLU 121 1HG GLU 121 17.695 1.251 -18.280 743 HG3 GLU 121 2HG GLU 121 17.875 -0.352 -18.990 744 H CYS 122 H CYS 122 19.391 3.948 -20.527 745 HA CYS 122 HA CYS 122 17.155 5.156 -19.382 746 HB2 CYS 122 1HB CYS 122 19.168 6.240 -21.380 747 HB3 CYS 122 2HB CYS 122 17.934 7.250 -20.641 748 H LYS 123 H LYS 123 17.879 4.861 -22.881 749 HA LYS 123 HA LYS 123 15.489 6.190 -23.714 750 HB2 LYS 123 1HB LYS 123 17.374 4.282 -25.141 751 HB3 LYS 123 2HB LYS 123 15.999 5.030 -25.941 752 HG2 LYS 123 1HG LYS 123 16.945 7.275 -25.381 753 HG3 LYS 123 2HG LYS 123 18.366 6.464 -24.707 754 HD2 LYS 123 1HD LYS 123 17.412 5.985 -27.547 755 HD3 LYS 123 2HD LYS 123 18.551 7.273 -27.127 756 HE2 LYS 123 1HE LYS 123 20.038 5.529 -26.086 757 HE3 LYS 123 2HE LYS 123 18.937 4.290 -26.694 758 HZ1 LYS 123 1HZ LYS 123 20.780 4.633 -28.169 759 HZ2 LYS 123 2HZ LYS 123 19.378 5.072 -28.919 760 HZ3 LYS 123 3HZ LYS 123 20.407 6.229 -28.351 761 H GLU 124 H GLU 124 16.280 2.746 -23.294 762 HA GLU 124 HA GLU 124 13.815 1.804 -24.437 763 HB2 GLU 124 1HB GLU 124 15.822 0.478 -22.573 764 HB3 GLU 124 2HB GLU 124 14.452 -0.362 -23.286 765 HG2 GLU 124 1HG GLU 124 16.716 0.947 -24.809 766 HG3 GLU 124 2HG GLU 124 16.529 -0.778 -24.503 767 H THR 125 H THR 125 14.836 2.627 -21.152 768 HA THR 125 HA THR 125 12.503 1.689 -19.804 769 HB THR 125 HB THR 125 14.329 4.032 -19.118 770 HG1 THR 125 HG1 THR 125 15.476 2.114 -19.119 771 HG21 THR 125 1HG2 THR 125 13.464 3.741 -16.829 772 HG22 THR 125 2HG2 THR 125 12.152 4.162 -17.956 773 HG23 THR 125 3HG2 THR 125 12.349 2.481 -17.406 774 H CYS 126 H CYS 126 13.245 4.771 -21.409 775 HA CYS 126 HA CYS 126 10.759 6.029 -20.669 776 HB2 CYS 126 1HB CYS 126 12.762 6.608 -22.881 777 HB3 CYS 126 2HB CYS 126 11.348 7.606 -22.574 778 H LYS 127 H LYS 127 11.813 4.010 -23.368 779 HA LYS 127 HA LYS 127 9.439 4.284 -24.949 780 HB2 LYS 127 1HB LYS 127 11.463 2.029 -24.689 781 HB3 LYS 127 2HB LYS 127 10.138 2.003 -25.844 782 HG2 LYS 127 1HG LYS 127 11.011 4.034 -26.920 783 HG3 LYS 127 2HG LYS 127 12.330 4.096 -25.742 784 HD2 LYS 127 1HD LYS 127 13.035 1.801 -26.510 785 HD3 LYS 127 2HD LYS 127 11.808 1.905 -27.781 786 HE2 LYS 127 1HE LYS 127 12.898 3.907 -28.699 787 HE3 LYS 127 2HE LYS 127 14.096 3.871 -27.404 788 HZ1 LYS 127 1HZ LYS 127 14.934 2.886 -29.408 789 HZ2 LYS 127 2HZ LYS 127 14.834 1.741 -28.225 790 HZ3 LYS 127 3HZ LYS 127 13.715 1.775 -29.436 791 H GLY 128 H GLY 128 10.277 2.243 -22.187 792 HA2 GLY 128 1HA GLY 128 8.380 1.815 -20.639 793 HA3 GLY 128 2HA GLY 128 7.382 1.479 -22.042 794 H PHE 129 H PHE 129 10.742 0.426 -21.686 795 HA PHE 129 HA PHE 129 9.758 -2.393 -21.570 796 HB2 PHE 129 1HB PHE 129 12.374 -1.287 -22.668 797 HB3 PHE 129 2HB PHE 129 11.963 -2.992 -22.577 798 HD1 PHE 129 HD1 PHE 129 11.950 -0.141 -24.621 799 HD2 PHE 129 HD2 PHE 129 9.678 -3.650 -23.736 800 HE1 PHE 129 HE1 PHE 129 10.865 0.005 -26.837 801 HE2 PHE 129 HE2 PHE 129 8.593 -3.509 -25.953 802 HZ PHE 129 HZ PHE 129 9.186 -1.679 -27.503 803 H SER 130 H SER 130 10.050 -0.687 -19.256 804 HA SER 130 HA SER 130 11.676 -2.461 -17.638 805 HB2 SER 130 1HB SER 130 13.464 -1.054 -18.541 806 HB3 SER 130 2HB SER 130 12.606 0.399 -18.052 807 HG SER 130 HG SER 130 14.189 -0.212 -16.582 Start of MODEL 9 1 H GLU 13 1H GLU 13 -0.472 -0.443 0.386 2 HA GLU 13 HA GLU 13 1.776 -0.058 1.006 3 HB2 GLU 13 1HB GLU 13 1.191 0.052 -1.980 4 HB3 GLU 13 2HB GLU 13 2.761 -0.331 -1.290 5 HG2 GLU 13 1HG GLU 13 1.832 -2.317 -0.210 6 HG3 GLU 13 2HG GLU 13 0.229 -1.921 -0.827 7 H SER 14 H SER 14 3.706 1.184 0.755 8 HA SER 14 HA SER 14 2.890 3.890 1.380 9 HB2 SER 14 1HB SER 14 5.152 4.196 2.131 10 HB3 SER 14 2HB SER 14 4.623 2.599 2.636 11 HG SER 14 HG SER 14 6.642 3.306 1.066 12 H TRP 15 H TRP 15 4.123 2.328 -1.432 13 HA TRP 15 HA TRP 15 5.705 4.434 -2.514 14 HB2 TRP 15 1HB TRP 15 5.509 3.246 -4.640 15 HB3 TRP 15 2HB TRP 15 5.778 2.099 -3.336 16 HD1 TRP 15 HD1 TRP 15 3.956 0.251 -2.939 17 HE1 TRP 15 HE1 TRP 15 1.762 -0.407 -4.139 18 HE3 TRP 15 HE3 TRP 15 3.431 4.378 -5.938 19 HZ2 TRP 15 HZ2 TRP 15 0.052 0.700 -6.093 20 HZ3 TRP 15 HZ3 TRP 15 1.493 4.516 -7.453 21 HH2 TRP 15 HH2 TRP 15 -0.175 2.711 -7.532 22 H VAL 16 H VAL 16 2.284 4.028 -2.250 23 HA VAL 16 HA VAL 16 1.463 5.593 -4.496 24 HB VAL 16 HB VAL 16 0.043 4.053 -2.985 25 HG11 VAL 16 1HG1 VAL 16 -1.075 5.135 -1.096 26 HG12 VAL 16 2HG1 VAL 16 0.682 5.008 -0.846 27 HG13 VAL 16 3HG1 VAL 16 -0.041 6.568 -1.306 28 HG21 VAL 16 1HG2 VAL 16 -1.991 5.404 -3.387 29 HG22 VAL 16 2HG2 VAL 16 -0.979 6.840 -3.670 30 HG23 VAL 16 3HG2 VAL 16 -0.896 5.457 -4.788 31 H SER 17 H SER 17 2.814 6.434 -1.415 32 HA SER 17 HA SER 17 1.647 9.047 -1.161 33 HB2 SER 17 1HB SER 17 4.181 7.835 -0.014 34 HB3 SER 17 2HB SER 17 3.570 9.422 0.429 35 HG SER 17 HG SER 17 2.104 8.551 1.572 36 H CYS 18 H CYS 18 4.154 7.776 -3.147 37 HA CYS 18 HA CYS 18 5.571 10.296 -3.501 38 HB2 CYS 18 1HB CYS 18 5.625 7.687 -5.065 39 HB3 CYS 18 2HB CYS 18 6.660 9.064 -5.418 40 H LEU 19 H LEU 19 2.663 8.964 -4.682 41 HA LEU 19 HA LEU 19 2.681 10.868 -6.980 42 HB2 LEU 19 1HB LEU 19 0.851 8.508 -6.411 43 HB3 LEU 19 2HB LEU 19 0.745 9.571 -7.818 44 HG LEU 19 HG LEU 19 3.065 7.717 -7.168 45 HD11 LEU 19 1HD1 LEU 19 2.253 6.451 -9.108 46 HD12 LEU 19 2HD1 LEU 19 1.033 6.528 -7.815 47 HD13 LEU 19 3HD1 LEU 19 0.872 7.562 -9.255 48 HD21 LEU 19 1HD2 LEU 19 3.855 8.358 -9.421 49 HD22 LEU 19 2HD2 LEU 19 2.496 9.497 -9.574 50 HD23 LEU 19 3HD2 LEU 19 3.757 9.776 -8.349 51 H ASP 20 H ASP 20 1.259 10.129 -3.903 52 HA ASP 20 HA ASP 20 -1.176 11.614 -4.214 53 HB2 ASP 20 1HB ASP 20 0.441 10.776 -1.784 54 HB3 ASP 20 2HB ASP 20 -1.056 11.687 -1.644 55 HA PRO 21 HA PRO 21 -0.101 15.796 -4.000 56 HB2 PRO 21 1HB PRO 21 -2.090 15.989 -1.706 57 HB3 PRO 21 2HB PRO 21 -1.966 16.994 -3.155 58 HG2 PRO 21 1HG PRO 21 -3.857 15.124 -3.080 59 HG3 PRO 21 2HG PRO 21 -2.922 15.329 -4.564 60 HD2 PRO 21 1HD PRO 21 -2.605 13.244 -2.370 61 HD3 PRO 21 2HD PRO 21 -2.525 13.031 -4.165 62 H GLU 22 H GLU 22 1.374 17.057 -2.929 63 HA GLU 22 HA GLU 22 2.948 15.916 -0.881 64 HB2 GLU 22 1HB GLU 22 2.672 18.791 -1.828 65 HB3 GLU 22 2HB GLU 22 3.865 18.290 -0.639 66 HG2 GLU 22 1HG GLU 22 5.098 18.232 -2.565 67 HG3 GLU 22 2HG GLU 22 4.577 16.552 -2.449 68 H GLN 23 H GLN 23 2.951 15.953 1.274 69 HA GLN 23 HA GLN 23 0.627 16.643 2.740 70 HB2 GLN 23 1HB GLN 23 2.193 15.053 3.655 71 HB3 GLN 23 2HB GLN 23 3.508 16.218 3.607 72 HG2 GLN 23 1HG GLN 23 2.763 15.951 5.869 73 HG3 GLN 23 2HG GLN 23 2.318 17.586 5.304 74 HE21 GLN 23 1HE2 GLN 23 -0.962 17.176 6.316 75 HE22 GLN 23 2HE2 GLN 23 0.439 18.180 6.147 76 H VAL 24 H VAL 24 -0.124 18.427 3.658 77 HA VAL 24 HA VAL 24 1.013 20.959 2.908 78 HB VAL 24 HB VAL 24 -1.173 20.257 4.913 79 HG11 VAL 24 1HG1 VAL 24 -1.843 22.605 4.750 80 HG12 VAL 24 2HG1 VAL 24 -0.212 22.424 5.439 81 HG13 VAL 24 3HG1 VAL 24 -0.411 22.943 3.748 82 HG21 VAL 24 1HG2 VAL 24 -2.679 20.968 3.083 83 HG22 VAL 24 2HG2 VAL 24 -1.268 21.250 2.034 84 HG23 VAL 24 3HG2 VAL 24 -1.657 19.601 2.581 85 H THR 25 H THR 25 2.409 22.252 3.905 86 HA THR 25 HA THR 25 3.875 21.437 6.200 87 HB THR 25 HB THR 25 3.523 24.247 5.070 88 HG1 THR 25 HG1 THR 25 5.108 22.027 4.380 89 HG21 THR 25 1HG2 THR 25 5.683 24.694 6.168 90 HG22 THR 25 2HG2 THR 25 4.447 24.228 7.361 91 HG23 THR 25 3HG2 THR 25 5.680 23.052 6.852 92 H CYS 26 H CYS 26 3.703 21.788 8.334 93 HA CYS 26 HA CYS 26 1.323 23.303 9.279 94 HB2 CYS 26 1HB CYS 26 0.667 20.911 8.994 95 HB3 CYS 26 2HB CYS 26 1.964 20.438 10.082 96 H GLU 27 H GLU 27 1.636 24.402 11.111 97 HA GLU 27 HA GLU 27 4.287 24.388 12.320 98 HB2 GLU 27 1HB GLU 27 1.722 25.879 12.996 99 HB3 GLU 27 2HB GLU 27 3.230 26.097 13.873 100 HG2 GLU 27 1HG GLU 27 2.891 26.583 10.905 101 HG3 GLU 27 2HG GLU 27 2.775 27.827 12.148 102 H SER 28 H SER 28 4.000 21.994 12.815 103 HA SER 28 HA SER 28 2.394 21.487 15.240 104 HB2 SER 28 1HB SER 28 2.374 19.805 13.472 105 HB3 SER 28 2HB SER 28 4.126 19.682 13.521 106 HG SER 28 HG SER 28 2.637 18.186 14.769 107 H GLN 29 H GLN 29 3.190 20.950 17.229 108 HA GLN 29 HA GLN 29 5.630 22.262 17.956 109 HB2 GLN 29 1HB GLN 29 3.686 22.001 19.487 110 HB3 GLN 29 2HB GLN 29 3.964 20.266 19.543 111 HG2 GLN 29 1HG GLN 29 4.863 21.221 21.524 112 HG3 GLN 29 2HG GLN 29 6.237 20.727 20.494 113 HE21 GLN 29 1HE2 GLN 29 7.694 23.841 20.939 114 HE22 GLN 29 2HE2 GLN 29 7.827 22.114 20.988 115 H GLU 30 H GLU 30 7.575 21.591 17.416 116 HA GLU 30 HA GLU 30 9.346 20.196 16.940 117 HB2 GLU 30 1HB GLU 30 8.057 18.487 19.108 118 HB3 GLU 30 2HB GLU 30 9.692 18.282 18.495 119 HG2 GLU 30 1HG GLU 30 10.246 20.568 19.290 120 HG3 GLU 30 2HG GLU 30 8.624 20.702 19.963 121 H GLY 31 H GLY 31 7.062 19.937 15.270 122 HA2 GLY 31 1HA GLY 31 6.992 17.017 14.665 123 HA3 GLY 31 2HA GLY 31 5.869 18.217 14.051 124 H THR 32 H THR 32 7.535 16.223 12.628 125 HA THR 32 HA THR 32 8.348 17.891 10.439 126 HB THR 32 HB THR 32 10.305 18.325 11.920 127 HG1 THR 32 HG1 THR 32 11.816 17.144 10.246 128 HG21 THR 32 1HG2 THR 32 11.872 16.485 12.399 129 HG22 THR 32 2HG2 THR 32 10.287 16.183 13.150 130 HG23 THR 32 3HG2 THR 32 10.743 15.326 11.659 131 H HIS 33 H HIS 33 8.847 16.739 8.573 132 HA HIS 33 HA HIS 33 9.036 13.811 8.669 133 HB2 HIS 33 1HB HIS 33 7.002 13.370 7.408 134 HB3 HIS 33 2HB HIS 33 6.600 14.145 8.934 135 HD1 HIS 33 HD1 HIS 33 5.707 16.599 8.851 136 HD2 HIS 33 HD2 HIS 33 6.371 14.963 5.024 137 HE1 HIS 33 HE1 HIS 33 4.510 18.043 7.284 138 H ALA 34 H ALA 34 9.314 12.850 6.554 139 HA ALA 34 HA ALA 34 10.461 14.764 4.610 140 HB1 ALA 34 1HB ALA 34 11.299 12.740 3.462 141 HB2 ALA 34 2HB ALA 34 11.794 12.780 5.171 142 HB3 ALA 34 3HB ALA 34 10.459 11.724 4.655 143 H SER 35 H SER 35 9.910 14.733 2.386 144 HA SER 35 HA SER 35 7.344 13.468 1.665 145 HB2 SER 35 1HB SER 35 6.643 15.575 2.691 146 HB3 SER 35 2HB SER 35 7.756 16.475 1.673 147 HG SER 35 HG SER 35 5.883 14.758 0.531 148 H TYR 36 H TYR 36 6.993 13.280 -0.534 149 HA TYR 36 HA TYR 36 9.415 13.705 -2.180 150 HB2 TYR 36 1HB TYR 36 8.326 11.484 -2.223 151 HB3 TYR 36 2HB TYR 36 6.825 12.217 -2.774 152 HD1 TYR 36 HD1 TYR 36 10.403 11.736 -3.710 153 HD2 TYR 36 HD2 TYR 36 6.405 12.536 -5.049 154 HE1 TYR 36 HE1 TYR 36 11.136 11.477 -6.056 155 HE2 TYR 36 HE2 TYR 36 7.139 12.277 -7.395 156 HH TYR 36 HH TYR 36 8.836 11.859 -8.756 157 H ASN 37 H ASN 37 9.641 15.603 -3.100 158 HA ASN 37 HA ASN 37 7.283 17.206 -3.803 159 HB2 ASN 37 1HB ASN 37 9.335 18.212 -2.792 160 HB3 ASN 37 2HB ASN 37 10.230 17.786 -4.245 161 HD21 ASN 37 1HD2 ASN 37 8.785 21.317 -4.249 162 HD22 ASN 37 2HD2 ASN 37 9.528 20.396 -2.984 163 H ARG 38 H ARG 38 6.185 16.724 -5.562 164 HA ARG 38 HA ARG 38 7.362 15.012 -7.570 165 HB2 ARG 38 1HB ARG 38 4.683 16.439 -7.461 166 HB3 ARG 38 2HB ARG 38 5.136 15.279 -8.701 167 HG2 ARG 38 1HG ARG 38 5.253 13.493 -7.099 168 HG3 ARG 38 2HG ARG 38 5.041 14.631 -5.746 169 HD2 ARG 38 1HD ARG 38 3.040 14.099 -7.930 170 HD3 ARG 38 2HD ARG 38 2.992 13.436 -6.281 171 HE ARG 38 HE ARG 38 3.155 16.180 -5.963 172 HH11 ARG 38 1HH1 ARG 38 0.963 13.935 -7.543 173 HH12 ARG 38 2HH1 ARG 38 -0.442 14.951 -7.315 174 HH21 ARG 38 1HH2 ARG 38 1.324 17.490 -5.673 175 HH22 ARG 38 2HH2 ARG 38 -0.239 16.964 -6.257 176 H LYS 39 H LYS 39 7.152 18.411 -7.162 177 HA LYS 39 HA LYS 39 7.188 19.091 -9.992 178 HB2 LYS 39 1HB LYS 39 7.776 20.710 -7.484 179 HB3 LYS 39 2HB LYS 39 7.800 21.387 -9.107 180 HG2 LYS 39 1HG LYS 39 5.421 20.809 -9.394 181 HG3 LYS 39 2HG LYS 39 5.395 20.118 -7.766 182 HD2 LYS 39 1HD LYS 39 6.006 22.320 -6.818 183 HD3 LYS 39 2HD LYS 39 6.039 23.011 -8.447 184 HE2 LYS 39 1HE LYS 39 3.650 22.480 -8.735 185 HE3 LYS 39 2HE LYS 39 3.607 21.749 -7.129 186 HZ1 LYS 39 1HZ LYS 39 2.788 23.990 -7.101 187 HZ2 LYS 39 2HZ LYS 39 4.169 23.891 -6.203 188 HZ3 LYS 39 3HZ LYS 39 4.208 24.574 -7.703 189 H THR 40 H THR 40 9.522 18.076 -7.682 190 HA THR 40 HA THR 40 11.701 18.929 -9.543 191 HB THR 40 HB THR 40 13.234 18.866 -7.603 192 HG1 THR 40 HG1 THR 40 10.917 17.888 -6.354 193 HG21 THR 40 1HG2 THR 40 12.357 20.834 -6.408 194 HG22 THR 40 2HG2 THR 40 12.095 20.987 -8.162 195 HG23 THR 40 3HG2 THR 40 10.744 20.539 -7.096 196 H GLY 41 H GLY 41 10.108 16.312 -7.936 197 HA2 GLY 41 1HA GLY 41 10.358 14.011 -8.329 198 HA3 GLY 41 2HA GLY 41 11.733 14.343 -9.365 199 H GLN 42 H GLN 42 11.530 15.700 -6.132 200 HA GLN 42 HA GLN 42 13.707 13.842 -5.281 201 HB2 GLN 42 1HB GLN 42 13.633 16.865 -4.918 202 HB3 GLN 42 2HB GLN 42 14.834 15.794 -4.212 203 HG2 GLN 42 1HG GLN 42 15.604 15.147 -6.439 204 HG3 GLN 42 2HG GLN 42 14.366 16.204 -7.172 205 HE21 GLN 42 1HE2 GLN 42 17.557 18.057 -7.195 206 HE22 GLN 42 2HE2 GLN 42 16.932 16.608 -7.909 207 H CYS 43 H CYS 43 14.130 13.923 -2.915 208 HA CYS 43 HA CYS 43 11.560 14.292 -1.444 209 HB2 CYS 43 1HB CYS 43 13.987 12.586 -0.762 210 HB3 CYS 43 2HB CYS 43 12.561 12.756 0.251 211 H GLU 44 H GLU 44 11.501 15.365 0.518 212 HA GLU 44 HA GLU 44 13.942 16.673 1.507 213 HB2 GLU 44 1HB GLU 44 13.021 18.950 1.313 214 HB3 GLU 44 2HB GLU 44 13.238 18.218 -0.270 215 HG2 GLU 44 1HG GLU 44 10.804 17.654 -0.287 216 HG3 GLU 44 2HG GLU 44 10.633 18.529 1.233 217 H GLU 45 H GLU 45 13.616 17.820 3.517 218 HA GLU 45 HA GLU 45 11.385 16.580 5.048 219 HB2 GLU 45 1HB GLU 45 13.698 16.132 5.839 220 HB3 GLU 45 2HB GLU 45 13.973 17.858 6.022 221 HG2 GLU 45 1HG GLU 45 12.226 17.973 7.737 222 HG3 GLU 45 2HG GLU 45 11.903 16.252 7.536 223 H GLN 46 H GLN 46 9.932 17.733 6.197 224 HA GLN 46 HA GLN 46 10.201 20.676 6.292 225 HB2 GLN 46 1HB GLN 46 8.006 21.056 5.279 226 HB3 GLN 46 2HB GLN 46 9.062 20.231 4.142 227 HG2 GLN 46 1HG GLN 46 7.970 18.099 4.640 228 HG3 GLN 46 2HG GLN 46 6.909 18.922 5.817 229 HE21 GLN 46 1HE2 GLN 46 4.759 18.742 2.948 230 HE22 GLN 46 2HE2 GLN 46 5.319 17.804 4.292 231 H LYS 47 H LYS 47 8.630 21.711 7.672 232 HA LYS 47 HA LYS 47 8.154 20.067 10.040 233 HB2 LYS 47 1HB LYS 47 8.969 22.429 10.170 234 HB3 LYS 47 2HB LYS 47 7.437 22.978 9.505 235 HG2 LYS 47 1HG LYS 47 6.253 22.049 11.467 236 HG3 LYS 47 2HG LYS 47 7.801 21.516 12.137 237 HD2 LYS 47 1HD LYS 47 8.592 23.882 12.126 238 HD3 LYS 47 2HD LYS 47 7.004 24.387 11.530 239 HE2 LYS 47 1HE LYS 47 5.956 23.401 13.566 240 HE3 LYS 47 2HE LYS 47 7.562 22.982 14.168 241 HZ1 LYS 47 1HZ LYS 47 6.783 25.038 15.091 242 HZ2 LYS 47 2HZ LYS 47 8.112 25.318 14.156 243 HZ3 LYS 47 3HZ LYS 47 6.611 25.709 13.595 244 H GLY 48 H GLY 48 6.328 19.191 10.742 245 HA2 GLY 48 1HA GLY 48 3.807 20.065 10.848 246 HA3 GLY 48 2HA GLY 48 3.852 19.609 9.156 247 H THR 49 H THR 49 2.186 18.466 11.214 248 HA THR 49 HA THR 49 3.072 15.640 10.886 249 HB THR 49 HB THR 49 2.084 15.119 13.139 250 HG1 THR 49 HG1 THR 49 0.856 17.172 13.179 251 HG21 THR 49 1HG2 THR 49 3.978 15.998 14.447 252 HG22 THR 49 2HG2 THR 49 4.522 15.410 12.858 253 HG23 THR 49 3HG2 THR 49 4.344 17.156 13.147 254 H GLU 50 H GLU 50 1.614 16.060 8.979 255 HA GLU 50 HA GLU 50 -0.292 15.276 7.954 256 HB2 GLU 50 1HB GLU 50 -0.854 14.095 10.705 257 HB3 GLU 50 2HB GLU 50 -1.741 13.695 9.241 258 HG2 GLU 50 1HG GLU 50 0.373 12.856 8.231 259 HG3 GLU 50 2HG GLU 50 1.195 13.180 9.756 260 H CYS 51 H CYS 51 -0.453 17.863 8.487 261 HA CYS 51 HA CYS 51 -3.178 18.256 9.630 262 HB2 CYS 51 1HB CYS 51 -1.112 20.356 8.866 263 HB3 CYS 51 2HB CYS 51 -2.638 20.641 9.692 264 H GLY 52 H GLY 52 -3.701 17.025 7.496 265 HA2 GLY 52 1HA GLY 52 -5.209 17.430 5.710 266 HA3 GLY 52 2HA GLY 52 -4.708 19.109 5.662 267 H GLY 53 H GLY 53 -4.949 17.915 3.290 268 HA2 GLY 53 1HA GLY 53 -3.490 17.995 1.369 269 HA3 GLY 53 2HA GLY 53 -2.136 17.541 2.387 270 H GLY 54 H GLY 54 -1.636 15.883 0.839 271 HA2 GLY 54 1HA GLY 54 -3.524 13.603 0.660 272 HA3 GLY 54 2HA GLY 54 -2.035 13.794 -0.248 273 H GLU 55 H GLU 55 -1.587 11.571 0.376 274 HA GLU 55 HA GLU 55 -0.739 11.240 3.205 275 HB2 GLU 55 1HB GLU 55 -0.974 9.219 0.938 276 HB3 GLU 55 2HB GLU 55 -0.456 8.838 2.574 277 HG2 GLU 55 1HG GLU 55 -3.165 9.952 1.814 278 HG3 GLU 55 2HG GLU 55 -2.806 8.259 2.143 279 H ASN 56 H ASN 56 0.629 12.828 0.966 280 HA ASN 56 HA ASN 56 3.076 11.315 0.453 281 HB2 ASN 56 1HB ASN 56 2.118 12.937 -1.181 282 HB3 ASN 56 2HB ASN 56 2.455 14.243 -0.053 283 HD21 ASN 56 1HD2 ASN 56 5.193 13.684 -2.629 284 HD22 ASN 56 2HD2 ASN 56 3.467 13.692 -2.772 285 H HIS 57 H HIS 57 3.477 10.896 2.761 286 HA HIS 57 HA HIS 57 5.629 12.728 3.546 287 HB2 HIS 57 1HB HIS 57 4.847 13.027 5.859 288 HB3 HIS 57 2HB HIS 57 3.757 13.788 4.709 289 HD2 HIS 57 HD2 HIS 57 3.637 11.256 7.571 290 HE1 HIS 57 HE1 HIS 57 -0.092 10.987 5.525 291 HE2 HIS 57 HE2 HIS 57 1.209 10.320 7.614 292 H PHE 58 H PHE 58 7.103 11.827 5.023 293 HA PHE 58 HA PHE 58 6.815 8.882 5.348 294 HB2 PHE 58 1HB PHE 58 9.237 10.220 4.079 295 HB3 PHE 58 2HB PHE 58 9.018 8.499 4.357 296 HD1 PHE 58 HD1 PHE 58 8.171 11.339 2.239 297 HD2 PHE 58 HD2 PHE 58 7.429 7.202 3.006 298 HE1 PHE 58 HE1 PHE 58 7.141 11.111 0.004 299 HE2 PHE 58 HE2 PHE 58 6.400 6.970 0.770 300 HZ PHE 58 HZ PHE 58 6.255 8.926 -0.731 301 H GLU 59 H GLU 59 8.331 7.923 6.813 302 HA GLU 59 HA GLU 59 8.834 9.373 9.179 303 HB2 GLU 59 1HB GLU 59 8.809 6.903 9.057 304 HB3 GLU 59 2HB GLU 59 10.286 6.920 8.103 305 HG2 GLU 59 1HG GLU 59 11.507 7.908 9.991 306 HG3 GLU 59 2HG GLU 59 10.028 7.916 10.949 307 H THR 60 H THR 60 11.064 8.594 6.495 308 HA THR 60 HA THR 60 12.517 11.085 7.027 309 HB THR 60 HB THR 60 13.613 9.430 8.571 310 HG1 THR 60 HG1 THR 60 15.293 10.621 8.129 311 HG21 THR 60 1HG2 THR 60 14.984 7.644 7.571 312 HG22 THR 60 2HG2 THR 60 13.260 7.406 7.199 313 HG23 THR 60 3HG2 THR 60 14.357 8.058 5.959 314 H LEU 61 H LEU 61 14.733 10.756 5.518 315 HA LEU 61 HA LEU 61 13.515 11.041 2.909 316 HB2 LEU 61 1HB LEU 61 16.403 11.123 3.842 317 HB3 LEU 61 2HB LEU 61 15.899 11.455 2.182 318 HG LEU 61 HG LEU 61 15.040 13.057 4.618 319 HD11 LEU 61 1HD1 LEU 61 16.558 14.770 3.729 320 HD12 LEU 61 2HD1 LEU 61 17.429 13.279 4.160 321 HD13 LEU 61 3HD1 LEU 61 17.080 13.645 2.453 322 HD21 LEU 61 1HD2 LEU 61 14.187 14.633 2.915 323 HD22 LEU 61 2HD2 LEU 61 14.676 13.506 1.627 324 HD23 LEU 61 3HD2 LEU 61 13.394 13.045 2.773 325 H LEU 62 H LEU 62 15.462 8.581 4.517 326 HA LEU 62 HA LEU 62 16.031 6.986 2.222 327 HB2 LEU 62 1HB LEU 62 15.653 6.255 5.145 328 HB3 LEU 62 2HB LEU 62 16.201 5.112 3.915 329 HG LEU 62 HG LEU 62 17.666 7.664 4.672 330 HD11 LEU 62 1HD1 LEU 62 19.232 6.159 5.815 331 HD12 LEU 62 2HD1 LEU 62 17.603 6.076 6.526 332 HD13 LEU 62 3HD1 LEU 62 18.172 4.778 5.449 333 HD21 LEU 62 1HD2 LEU 62 19.497 6.639 3.366 334 HD22 LEU 62 2HD2 LEU 62 18.441 5.264 2.964 335 HD23 LEU 62 3HD2 LEU 62 18.052 6.891 2.356 336 H LYS 63 H LYS 63 13.219 7.178 4.363 337 HA LYS 63 HA LYS 63 11.931 4.850 3.182 338 HB2 LYS 63 1HB LYS 63 10.879 7.056 4.996 339 HB3 LYS 63 2HB LYS 63 9.937 5.657 4.498 340 HG2 LYS 63 1HG LYS 63 12.486 5.605 6.140 341 HG3 LYS 63 2HG LYS 63 10.840 5.336 6.730 342 HD2 LYS 63 1HD LYS 63 10.638 3.341 5.292 343 HD3 LYS 63 2HD LYS 63 12.272 3.616 4.669 344 HE2 LYS 63 1HE LYS 63 13.153 3.392 7.001 345 HE3 LYS 63 2HE LYS 63 11.521 3.007 7.551 346 HZ1 LYS 63 1HZ LYS 63 12.805 1.037 7.152 347 HZ2 LYS 63 2HZ LYS 63 11.541 1.101 6.093 348 HZ3 LYS 63 3HZ LYS 63 13.067 1.460 5.580 349 H CYS 64 H CYS 64 11.842 8.344 2.687 350 HA CYS 64 HA CYS 64 9.724 8.394 0.780 351 HB2 CYS 64 1HB CYS 64 10.771 10.423 1.783 352 HB3 CYS 64 2HB CYS 64 12.239 10.107 0.869 353 H ASN 65 H ASN 65 13.252 7.962 0.374 354 HA ASN 65 HA ASN 65 13.160 7.707 -2.473 355 HB2 ASN 65 1HB ASN 65 15.161 6.778 -0.396 356 HB3 ASN 65 2HB ASN 65 15.403 6.536 -2.121 357 HD21 ASN 65 1HD2 ASN 65 17.020 9.704 -0.943 358 HD22 ASN 65 2HD2 ASN 65 17.059 8.062 -0.392 359 H GLU 66 H GLU 66 13.110 5.269 0.125 360 HA GLU 66 HA GLU 66 13.190 3.006 -1.605 361 HB2 GLU 66 1HB GLU 66 12.138 3.403 1.216 362 HB3 GLU 66 2HB GLU 66 12.093 1.839 0.414 363 HG2 GLU 66 1HG GLU 66 14.510 1.819 0.209 364 HG3 GLU 66 2HG GLU 66 14.612 3.450 0.869 365 H SER 67 H SER 67 10.448 4.785 -0.175 366 HA SER 67 HA SER 67 8.401 3.069 -1.130 367 HB2 SER 67 1HB SER 67 8.384 6.050 -0.562 368 HB3 SER 67 2HB SER 67 6.940 5.104 -0.888 369 HG SER 67 HG SER 67 8.684 5.041 1.273 370 H CYS 68 H CYS 68 9.919 5.936 -2.606 371 HA CYS 68 HA CYS 68 8.255 5.935 -4.946 372 HB2 CYS 68 1HB CYS 68 11.028 7.072 -4.432 373 HB3 CYS 68 2HB CYS 68 10.135 7.330 -5.924 374 H ASN 69 H ASN 69 11.340 4.393 -4.131 375 HA ASN 69 HA ASN 69 11.866 3.392 -6.778 376 HB2 ASN 69 1HB ASN 69 12.809 2.529 -4.030 377 HB3 ASN 69 2HB ASN 69 13.352 1.755 -5.512 378 HD21 ASN 69 1HD2 ASN 69 15.780 4.380 -4.541 379 HD22 ASN 69 2HD2 ASN 69 15.116 2.968 -3.788 380 H ASP 70 H ASP 70 9.797 2.346 -4.184 381 HA ASP 70 HA ASP 70 9.513 -0.357 -5.317 382 HB2 ASP 70 1HB ASP 70 8.232 1.030 -2.933 383 HB3 ASP 70 2HB ASP 70 7.821 -0.604 -3.433 384 H ALA 71 H ALA 71 8.341 2.616 -6.112 385 HA ALA 71 HA ALA 71 5.567 1.985 -6.585 386 HB1 ALA 71 1HB ALA 71 5.589 4.018 -7.994 387 HB2 ALA 71 2HB ALA 71 6.353 4.304 -6.413 388 HB3 ALA 71 3HB ALA 71 7.361 4.081 -7.861 389 HA PRO 72 HA PRO 72 5.973 -0.456 -10.130 390 HB2 PRO 72 1HB PRO 72 3.435 -0.272 -11.159 391 HB3 PRO 72 2HB PRO 72 3.782 -1.140 -9.658 392 HG2 PRO 72 1HG PRO 72 2.761 1.708 -10.025 393 HG3 PRO 72 2HG PRO 72 2.142 0.455 -8.946 394 HD2 PRO 72 1HD PRO 72 3.848 2.384 -8.049 395 HD3 PRO 72 2HD PRO 72 3.907 0.695 -7.403 396 H LYS 73 H LYS 73 5.179 2.911 -10.269 397 HA LYS 73 HA LYS 73 4.925 3.320 -13.062 398 HB2 LYS 73 1HB LYS 73 4.465 5.040 -11.305 399 HB3 LYS 73 2HB LYS 73 6.193 5.177 -11.008 400 HG2 LYS 73 1HG LYS 73 6.560 6.015 -13.268 401 HG3 LYS 73 2HG LYS 73 4.850 5.781 -13.659 402 HD2 LYS 73 1HD LYS 73 4.244 7.389 -11.851 403 HD3 LYS 73 2HD LYS 73 5.965 7.659 -11.543 404 HE2 LYS 73 1HE LYS 73 6.261 8.481 -13.848 405 HE3 LYS 73 2HE LYS 73 4.554 8.182 -14.186 406 HZ1 LYS 73 1HZ LYS 73 4.959 10.469 -13.646 407 HZ2 LYS 73 2HZ LYS 73 3.997 9.788 -12.492 408 HZ3 LYS 73 3HZ LYS 73 5.592 10.068 -12.178 409 HA PRO 74 HA PRO 74 8.872 2.000 -14.458 410 HB2 PRO 74 1HB PRO 74 7.983 3.698 -16.821 411 HB3 PRO 74 2HB PRO 74 8.674 2.070 -16.820 412 HG2 PRO 74 1HG PRO 74 6.049 2.319 -17.166 413 HG3 PRO 74 2HG PRO 74 6.647 1.057 -16.086 414 HD2 PRO 74 1HD PRO 74 5.498 3.789 -15.392 415 HD3 PRO 74 2HD PRO 74 5.195 2.190 -14.600 416 HA PRO 75 HA PRO 75 11.133 5.684 -13.501 417 HB2 PRO 75 1HB PRO 75 13.669 4.731 -13.971 418 HB3 PRO 75 2HB PRO 75 12.728 4.259 -12.551 419 HG2 PRO 75 1HG PRO 75 13.064 2.784 -15.197 420 HG3 PRO 75 2HG PRO 75 13.207 2.139 -13.559 421 HD2 PRO 75 1HD PRO 75 10.907 1.857 -14.987 422 HD3 PRO 75 2HD PRO 75 10.875 2.120 -13.197 423 H CYS 76 H CYS 76 11.054 4.035 -16.542 424 HA CYS 76 HA CYS 76 12.669 6.039 -17.959 425 HB2 CYS 76 1HB CYS 76 11.015 3.690 -18.966 426 HB3 CYS 76 2HB CYS 76 11.997 4.729 -19.990 427 H SER 77 H SER 77 9.680 6.151 -16.652 428 HA SER 77 HA SER 77 8.654 7.931 -18.803 429 HB2 SER 77 1HB SER 77 6.598 8.010 -17.532 430 HB3 SER 77 2HB SER 77 7.082 6.333 -17.735 431 HG SER 77 HG SER 77 8.030 6.461 -15.666 432 H LEU 78 H LEU 78 10.802 8.119 -16.344 433 HA LEU 78 HA LEU 78 9.862 10.785 -15.400 434 HB2 LEU 78 1HB LEU 78 12.008 8.976 -14.236 435 HB3 LEU 78 2HB LEU 78 11.406 10.478 -13.527 436 HG LEU 78 HG LEU 78 9.767 7.948 -13.915 437 HD11 LEU 78 1HD1 LEU 78 9.951 7.747 -11.475 438 HD12 LEU 78 2HD1 LEU 78 11.544 7.663 -12.264 439 HD13 LEU 78 3HD1 LEU 78 11.035 9.157 -11.441 440 HD21 LEU 78 1HD2 LEU 78 8.129 9.138 -12.497 441 HD22 LEU 78 2HD2 LEU 78 9.187 10.570 -12.476 442 HD23 LEU 78 3HD2 LEU 78 8.444 10.035 -14.003 443 H GLU 79 H GLU 79 11.431 12.486 -15.117 444 HA GLU 79 HA GLU 79 13.332 12.546 -17.371 445 HB2 GLU 79 1HB GLU 79 12.423 14.676 -15.396 446 HB3 GLU 79 2HB GLU 79 13.604 14.960 -16.667 447 HG2 GLU 79 1HG GLU 79 11.916 14.383 -18.366 448 HG3 GLU 79 2HG GLU 79 10.732 14.105 -17.091 449 H VAL 80 H VAL 80 15.480 13.597 -17.007 450 HA VAL 80 HA VAL 80 16.996 12.031 -15.164 451 HB VAL 80 HB VAL 80 17.701 14.572 -16.691 452 HG11 VAL 80 1HG1 VAL 80 20.041 14.009 -16.249 453 HG12 VAL 80 2HG1 VAL 80 19.145 14.361 -14.752 454 HG13 VAL 80 3HG1 VAL 80 19.519 12.677 -15.191 455 HG21 VAL 80 1HG2 VAL 80 18.874 12.987 -18.186 456 HG22 VAL 80 2HG2 VAL 80 18.310 11.628 -17.185 457 HG23 VAL 80 3HG2 VAL 80 17.137 12.615 -18.090 458 H ASP 81 H ASP 81 17.638 12.342 -13.129 459 HA ASP 81 HA ASP 81 17.557 15.052 -11.965 460 HB2 ASP 81 1HB ASP 81 15.286 14.102 -11.543 461 HB3 ASP 81 2HB ASP 81 16.023 12.730 -10.727 462 H TYR 82 H TYR 82 19.725 15.058 -11.644 463 HA TYR 82 HA TYR 82 20.883 12.787 -10.101 464 HB2 TYR 82 1HB TYR 82 23.090 13.811 -10.812 465 HB3 TYR 82 2HB TYR 82 22.109 13.166 -12.120 466 HD1 TYR 82 HD1 TYR 82 23.243 16.268 -10.455 467 HD2 TYR 82 HD2 TYR 82 21.244 14.562 -13.847 468 HE1 TYR 82 HE1 TYR 82 23.364 18.443 -11.621 469 HE2 TYR 82 HE2 TYR 82 21.365 16.738 -15.013 470 HH TYR 82 HH TYR 82 22.845 19.576 -13.461 471 H GLY 83 H GLY 83 19.275 15.267 -9.187 472 HA2 GLY 83 1HA GLY 83 19.223 16.211 -7.039 473 HA3 GLY 83 2HA GLY 83 20.821 15.561 -6.720 474 H VAL 84 H VAL 84 20.474 18.001 -5.793 475 HA VAL 84 HA VAL 84 22.057 19.663 -7.702 476 HB VAL 84 HB VAL 84 20.945 21.683 -6.707 477 HG11 VAL 84 1HG1 VAL 84 18.852 21.463 -7.954 478 HG12 VAL 84 2HG1 VAL 84 20.240 20.818 -8.862 479 HG13 VAL 84 3HG1 VAL 84 19.103 19.705 -8.064 480 HG21 VAL 84 1HG2 VAL 84 18.825 21.350 -5.475 481 HG22 VAL 84 2HG2 VAL 84 19.083 19.589 -5.509 482 HG23 VAL 84 3HG2 VAL 84 20.198 20.636 -4.597 483 H GLY 85 H GLY 85 23.327 18.005 -5.958 484 HA2 GLY 85 1HA GLY 85 23.764 19.492 -3.416 485 HA3 GLY 85 2HA GLY 85 24.179 17.814 -3.713 486 H ARG 86 H ARG 86 26.335 17.681 -3.441 487 HA ARG 86 HA ARG 86 28.066 19.571 -4.942 488 HB2 ARG 86 1HB ARG 86 28.227 19.066 -1.952 489 HB3 ARG 86 2HB ARG 86 29.481 19.862 -2.889 490 HG2 ARG 86 1HG ARG 86 26.637 20.874 -2.661 491 HG3 ARG 86 2HG ARG 86 27.999 21.417 -1.651 492 HD2 ARG 86 1HD ARG 86 29.179 22.132 -3.665 493 HD3 ARG 86 2HD ARG 86 27.780 21.635 -4.644 494 HE ARG 86 HE ARG 86 27.991 23.970 -2.890 495 HH11 ARG 86 1HH1 ARG 86 25.930 21.894 -4.836 496 HH12 ARG 86 2HH1 ARG 86 24.660 23.087 -4.990 497 HH21 ARG 86 1HH2 ARG 86 26.335 25.511 -3.097 498 HH22 ARG 86 2HH2 ARG 86 24.888 25.135 -4.006 499 H ALA 87 H ALA 87 27.302 16.465 -3.954 500 HA ALA 87 HA ALA 87 29.977 15.357 -3.869 501 HB1 ALA 87 1HB ALA 87 28.818 13.176 -4.012 502 HB2 ALA 87 2HB ALA 87 28.092 14.228 -2.774 503 HB3 ALA 87 3HB ALA 87 27.289 14.020 -4.347 504 H ASN 88 H ASN 88 30.718 13.673 -5.405 505 HA ASN 88 HA ASN 88 29.929 14.336 -8.205 506 HB2 ASN 88 1HB ASN 88 32.760 14.041 -7.148 507 HB3 ASN 88 2HB ASN 88 32.325 14.185 -8.845 508 HD21 ASN 88 1HD2 ASN 88 32.707 17.442 -6.531 509 HD22 ASN 88 2HD2 ASN 88 33.070 15.836 -5.992 510 H ILE 89 H ILE 89 28.621 12.372 -7.723 511 HA ILE 89 HA ILE 89 30.276 9.918 -8.121 512 HB ILE 89 HB ILE 89 27.438 10.191 -7.042 513 HG12 ILE 89 1HG1 ILE 89 29.954 9.313 -5.611 514 HG13 ILE 89 2HG1 ILE 89 29.300 10.942 -5.536 515 HG21 ILE 89 1HG2 ILE 89 27.610 7.773 -6.611 516 HG22 ILE 89 2HG2 ILE 89 27.748 8.124 -8.350 517 HG23 ILE 89 3HG2 ILE 89 29.204 7.742 -7.402 518 HD11 ILE 89 1HD1 ILE 89 28.635 9.639 -3.594 519 HD12 ILE 89 2HD1 ILE 89 27.213 10.074 -4.573 520 HD13 ILE 89 3HD1 ILE 89 27.875 8.424 -4.648 521 HA PRO 90 HA PRO 90 28.618 10.080 -12.198 522 HB2 PRO 90 1HB PRO 90 29.913 7.853 -13.169 523 HB3 PRO 90 2HB PRO 90 30.737 9.397 -12.918 524 HG2 PRO 90 1HG PRO 90 30.633 6.966 -11.082 525 HG3 PRO 90 2HG PRO 90 32.045 7.906 -11.574 526 HD2 PRO 90 1HD PRO 90 30.825 8.357 -9.187 527 HD3 PRO 90 2HD PRO 90 31.526 9.718 -10.151 528 H ARG 91 H ARG 91 26.525 9.530 -12.385 529 HA ARG 91 HA ARG 91 25.805 6.654 -12.133 530 HB2 ARG 91 1HB ARG 91 24.203 8.947 -10.949 531 HB3 ARG 91 2HB ARG 91 23.700 7.264 -10.995 532 HG2 ARG 91 1HG ARG 91 25.657 6.678 -9.570 533 HG3 ARG 91 2HG ARG 91 26.036 8.414 -9.453 534 HD2 ARG 91 1HD ARG 91 24.822 7.843 -7.527 535 HD3 ARG 91 2HD ARG 91 23.709 8.741 -8.586 536 HE ARG 91 HE ARG 91 22.436 6.838 -8.864 537 HH11 ARG 91 1HH1 ARG 91 25.447 6.028 -7.246 538 HH12 ARG 91 2HH1 ARG 91 24.928 4.414 -6.816 539 HH21 ARG 91 1HH2 ARG 91 21.773 4.740 -8.300 540 HH22 ARG 91 2HH2 ARG 91 22.849 3.684 -7.412 541 H TRP 92 H TRP 92 23.845 6.062 -13.253 542 HA TRP 92 HA TRP 92 23.691 7.664 -15.751 543 HB2 TRP 92 1HB TRP 92 23.118 4.753 -15.110 544 HB3 TRP 92 2HB TRP 92 22.623 5.489 -16.628 545 HD1 TRP 92 HD1 TRP 92 25.811 4.541 -14.665 546 HE1 TRP 92 HE1 TRP 92 27.790 4.372 -16.320 547 HE3 TRP 92 HE3 TRP 92 23.459 6.268 -18.882 548 HZ2 TRP 92 HZ2 TRP 92 28.262 4.904 -19.053 549 HZ3 TRP 92 HZ3 TRP 92 24.732 6.416 -20.985 550 HH2 TRP 92 HH2 TRP 92 27.095 5.743 -21.076 551 H TYR 93 H TYR 93 21.868 8.550 -16.498 552 HA TYR 93 HA TYR 93 19.313 7.843 -15.138 553 HB2 TYR 93 1HB TYR 93 20.291 10.669 -15.719 554 HB3 TYR 93 2HB TYR 93 18.686 10.252 -15.133 555 HD1 TYR 93 HD1 TYR 93 22.268 10.404 -14.276 556 HD2 TYR 93 HD2 TYR 93 18.296 9.650 -12.841 557 HE1 TYR 93 HE1 TYR 93 23.086 10.526 -11.947 558 HE2 TYR 93 HE2 TYR 93 19.114 9.772 -10.512 559 HH TYR 93 HH TYR 93 20.852 10.175 -9.191 560 H TYR 94 H TYR 94 17.501 7.854 -16.370 561 HA TYR 94 HA TYR 94 17.966 7.883 -19.277 562 HB2 TYR 94 1HB TYR 94 16.659 6.047 -18.231 563 HB3 TYR 94 2HB TYR 94 15.469 7.212 -17.667 564 HD1 TYR 94 HD1 TYR 94 17.113 6.041 -20.820 565 HD2 TYR 94 HD2 TYR 94 13.602 7.655 -18.955 566 HE1 TYR 94 HE1 TYR 94 15.875 5.807 -22.947 567 HE2 TYR 94 HE2 TYR 94 12.365 7.421 -21.082 568 HH TYR 94 HH TYR 94 12.450 6.774 -23.199 569 H ASP 95 H ASP 95 17.659 9.566 -20.523 570 HA ASP 95 HA ASP 95 15.936 11.781 -19.591 571 HB2 ASP 95 1HB ASP 95 18.125 12.314 -20.620 572 HB3 ASP 95 2HB ASP 95 17.642 11.494 -22.098 573 H THR 96 H THR 96 13.836 11.279 -19.774 574 HA THR 96 HA THR 96 12.784 9.562 -21.812 575 HB THR 96 HB THR 96 11.368 11.565 -20.002 576 HG1 THR 96 HG1 THR 96 12.057 10.035 -18.660 577 HG21 THR 96 1HG2 THR 96 9.338 10.267 -20.516 578 HG22 THR 96 2HG2 THR 96 10.015 11.000 -21.990 579 HG23 THR 96 3HG2 THR 96 10.261 9.269 -21.663 580 H ASN 97 H ASN 97 13.117 13.070 -21.543 581 HA ASN 97 HA ASN 97 11.317 13.716 -23.676 582 HB2 ASN 97 1HB ASN 97 13.630 15.226 -22.430 583 HB3 ASN 97 2HB ASN 97 12.609 15.908 -23.689 584 HD21 ASN 97 1HD2 ASN 97 11.402 16.786 -20.230 585 HD22 ASN 97 2HD2 ASN 97 12.962 16.832 -20.982 586 H ASN 98 H ASN 98 14.783 13.012 -23.593 587 HA ASN 98 HA ASN 98 14.827 13.258 -26.564 588 HB2 ASN 98 1HB ASN 98 17.049 13.177 -24.501 589 HB3 ASN 98 2HB ASN 98 17.336 13.071 -26.232 590 HD21 ASN 98 1HD2 ASN 98 17.001 16.621 -24.518 591 HD22 ASN 98 2HD2 ASN 98 17.289 15.126 -23.691 592 H ALA 99 H ALA 99 14.392 10.984 -24.169 593 HA ALA 99 HA ALA 99 14.348 8.690 -24.209 594 HB1 ALA 99 1HB ALA 99 13.945 7.614 -26.400 595 HB2 ALA 99 2HB ALA 99 12.936 9.064 -26.181 596 HB3 ALA 99 3HB ALA 99 14.381 9.133 -27.216 597 H THR 100 H THR 100 16.738 9.445 -23.508 598 HA THR 100 HA THR 100 18.494 7.459 -24.797 599 HB THR 100 HB THR 100 18.932 9.560 -26.073 600 HG1 THR 100 HG1 THR 100 21.278 9.476 -24.733 601 HG21 THR 100 1HG2 THR 100 20.016 11.448 -24.919 602 HG22 THR 100 2HG2 THR 100 18.377 11.170 -24.282 603 HG23 THR 100 3HG2 THR 100 19.796 10.625 -23.357 604 H CYS 101 H CYS 101 20.237 6.792 -23.530 605 HA CYS 101 HA CYS 101 19.966 7.527 -20.662 606 HB2 CYS 101 1HB CYS 101 21.389 5.200 -22.013 607 HB3 CYS 101 2HB CYS 101 21.384 5.493 -20.279 608 H GLU 102 H GLU 102 21.397 8.774 -19.685 609 HA GLU 102 HA GLU 102 24.144 8.951 -20.817 610 HB2 GLU 102 1HB GLU 102 22.358 11.311 -20.097 611 HB3 GLU 102 2HB GLU 102 24.082 11.436 -20.418 612 HG2 GLU 102 1HG GLU 102 23.707 10.571 -22.704 613 HG3 GLU 102 2HG GLU 102 21.977 10.493 -22.377 614 H MET 103 H MET 103 25.727 9.837 -19.341 615 HA MET 103 HA MET 103 25.041 9.088 -16.544 616 HB2 MET 103 1HB MET 103 26.930 7.894 -17.648 617 HB3 MET 103 2HB MET 103 27.758 9.428 -17.874 618 HG2 MET 103 1HG MET 103 27.963 9.724 -15.467 619 HG3 MET 103 2HG MET 103 27.012 8.265 -15.175 620 HE1 MET 103 1HE MET 103 31.325 8.415 -16.817 621 HE2 MET 103 2HE MET 103 29.962 9.148 -17.699 622 HE3 MET 103 3HE MET 103 30.441 9.788 -16.108 623 H PHE 104 H PHE 104 25.024 10.483 -14.925 624 HA PHE 104 HA PHE 104 25.943 13.263 -15.528 625 HB2 PHE 104 1HB PHE 104 23.409 12.405 -14.075 626 HB3 PHE 104 2HB PHE 104 23.991 14.059 -14.174 627 HD1 PHE 104 HD1 PHE 104 22.497 11.273 -16.035 628 HD2 PHE 104 HD2 PHE 104 23.825 15.329 -16.223 629 HE1 PHE 104 HE1 PHE 104 21.287 11.568 -18.171 630 HE2 PHE 104 HE2 PHE 104 22.614 15.629 -18.358 631 HZ PHE 104 HZ PHE 104 21.346 13.747 -19.332 632 H THR 105 H THR 105 26.240 14.607 -13.564 633 HA THR 105 HA THR 105 27.746 13.048 -11.574 634 HB THR 105 HB THR 105 27.387 16.060 -11.890 635 HG1 THR 105 HG1 THR 105 29.734 15.667 -12.505 636 HG21 THR 105 1HG2 THR 105 29.297 16.214 -10.341 637 HG22 THR 105 2HG2 THR 105 27.915 15.401 -9.568 638 HG23 THR 105 3HG2 THR 105 29.295 14.445 -10.156 639 H TYR 106 H TYR 106 26.824 12.249 -9.842 640 HA TYR 106 HA TYR 106 24.201 13.264 -8.996 641 HB2 TYR 106 1HB TYR 106 24.620 10.827 -9.116 642 HB3 TYR 106 2HB TYR 106 25.906 10.978 -7.927 643 HD1 TYR 106 HD1 TYR 106 22.386 12.269 -8.160 644 HD2 TYR 106 HD2 TYR 106 25.315 10.102 -5.895 645 HE1 TYR 106 HE1 TYR 106 20.744 11.949 -6.341 646 HE2 TYR 106 HE2 TYR 106 23.673 9.781 -4.077 647 HH TYR 106 HH TYR 106 20.345 10.995 -4.369 648 H GLY 107 H GLY 107 23.821 14.662 -7.439 649 HA2 GLY 107 1HA GLY 107 26.185 15.853 -6.140 650 HA3 GLY 107 2HA GLY 107 24.570 16.536 -6.204 651 H GLY 108 H GLY 108 23.576 13.714 -5.367 652 HA2 GLY 108 1HA GLY 108 23.711 12.324 -3.410 653 HA3 GLY 108 2HA GLY 108 24.602 13.585 -2.579 654 H ILE 109 H ILE 109 21.799 14.463 -4.457 655 HA ILE 109 HA ILE 109 20.364 15.070 -1.916 656 HB ILE 109 HB ILE 109 19.958 16.264 -4.692 657 HG12 ILE 109 1HG1 ILE 109 22.117 16.904 -3.799 658 HG13 ILE 109 2HG1 ILE 109 21.013 18.270 -3.784 659 HG21 ILE 109 1HG2 ILE 109 18.570 17.911 -3.501 660 HG22 ILE 109 2HG2 ILE 109 17.920 16.267 -3.306 661 HG23 ILE 109 3HG2 ILE 109 18.824 17.029 -1.977 662 HD11 ILE 109 1HD1 ILE 109 22.338 18.191 -1.747 663 HD12 ILE 109 2HD1 ILE 109 20.614 17.938 -1.382 664 HD13 ILE 109 3HD1 ILE 109 21.734 16.555 -1.397 665 H THR 110 H THR 110 19.682 12.820 -1.798 666 HA THR 110 HA THR 110 18.168 11.108 -2.176 667 HB THR 110 HB THR 110 15.847 11.797 -2.200 668 HG1 THR 110 HG1 THR 110 16.823 13.821 -3.715 669 HG21 THR 110 1HG2 THR 110 15.830 13.493 -0.413 670 HG22 THR 110 2HG2 THR 110 17.104 12.283 -0.129 671 HG23 THR 110 3HG2 THR 110 17.528 13.889 -0.766 672 H GLY 111 H GLY 111 15.767 11.866 -4.053 673 HA2 GLY 111 1HA GLY 111 16.143 12.250 -6.637 674 HA3 GLY 111 2HA GLY 111 17.080 10.775 -6.496 675 H ASN 112 H ASN 112 15.642 9.701 -7.925 676 HA ASN 112 HA ASN 112 13.248 8.637 -6.568 677 HB2 ASN 112 1HB ASN 112 11.786 9.077 -8.493 678 HB3 ASN 112 2HB ASN 112 12.351 10.570 -7.756 679 HD21 ASN 112 1HD2 ASN 112 13.729 11.800 -10.669 680 HD22 ASN 112 2HD2 ASN 112 13.161 12.064 -9.054 681 H LYS 113 H LYS 113 12.106 7.248 -8.614 682 HA LYS 113 HA LYS 113 13.708 4.920 -8.438 683 HB2 LYS 113 1HB LYS 113 11.191 5.046 -8.795 684 HB3 LYS 113 2HB LYS 113 11.513 5.420 -10.482 685 HG2 LYS 113 1HG LYS 113 12.655 3.262 -10.762 686 HG3 LYS 113 2HG LYS 113 12.374 2.886 -9.056 687 HD2 LYS 113 1HD LYS 113 9.926 3.033 -9.436 688 HD3 LYS 113 2HD LYS 113 10.220 3.380 -11.146 689 HE2 LYS 113 1HE LYS 113 11.412 1.188 -11.342 690 HE3 LYS 113 2HE LYS 113 10.991 0.840 -9.664 691 HZ1 LYS 113 1HZ LYS 113 9.448 -0.157 -11.185 692 HZ2 LYS 113 2HZ LYS 113 8.675 0.982 -10.276 693 HZ3 LYS 113 3HZ LYS 113 9.069 1.306 -11.845 694 H ASN 114 H ASN 114 13.482 7.388 -10.935 695 HA ASN 114 HA ASN 114 15.035 5.927 -12.890 696 HB2 ASN 114 1HB ASN 114 13.517 7.837 -13.432 697 HB3 ASN 114 2HB ASN 114 14.632 8.923 -12.615 698 HD21 ASN 114 1HD2 ASN 114 15.426 9.119 -16.175 699 HD22 ASN 114 2HD2 ASN 114 14.111 9.525 -15.123 700 H ASN 115 H ASN 115 16.775 5.080 -11.706 701 HA ASN 115 HA ASN 115 19.061 6.876 -11.494 702 HB2 ASN 115 1HB ASN 115 17.856 7.312 -9.355 703 HB3 ASN 115 2HB ASN 115 17.975 5.602 -8.962 704 HD21 ASN 115 1HD2 ASN 115 20.749 7.589 -7.395 705 HD22 ASN 115 2HD2 ASN 115 19.029 7.789 -7.458 706 H PHE 116 H PHE 116 20.350 5.661 -12.697 707 HA PHE 116 HA PHE 116 20.492 2.748 -12.035 708 HB2 PHE 116 1HB PHE 116 21.064 4.079 -14.711 709 HB3 PHE 116 2HB PHE 116 21.074 2.354 -14.379 710 HD1 PHE 116 HD1 PHE 116 19.041 5.252 -15.136 711 HD2 PHE 116 HD2 PHE 116 18.943 1.177 -13.856 712 HE1 PHE 116 HE1 PHE 116 16.642 5.128 -15.719 713 HE2 PHE 116 HE2 PHE 116 16.544 1.049 -14.440 714 HZ PHE 116 HZ PHE 116 15.393 3.026 -15.370 715 H GLU 117 H GLU 117 22.557 1.694 -12.486 716 HA GLU 117 HA GLU 117 24.851 3.571 -12.088 717 HB2 GLU 117 1HB GLU 117 24.444 0.788 -10.919 718 HB3 GLU 117 2HB GLU 117 25.932 1.715 -10.793 719 HG2 GLU 117 1HG GLU 117 24.675 3.494 -9.583 720 HG3 GLU 117 2HG GLU 117 23.241 2.471 -9.637 721 H SER 118 H SER 118 23.584 2.232 -14.519 722 HA SER 118 HA SER 118 26.089 1.729 -15.855 723 HB2 SER 118 1HB SER 118 25.883 -0.441 -14.739 724 HB3 SER 118 2HB SER 118 24.255 -0.642 -15.370 725 HG SER 118 HG SER 118 26.189 -1.581 -16.486 726 H GLU 119 H GLU 119 25.913 1.820 -18.061 727 HA GLU 119 HA GLU 119 23.631 2.973 -19.249 728 HB2 GLU 119 1HB GLU 119 25.880 3.017 -20.272 729 HB3 GLU 119 2HB GLU 119 25.808 1.281 -20.544 730 HG2 GLU 119 1HG GLU 119 23.918 1.586 -22.078 731 HG3 GLU 119 2HG GLU 119 23.953 3.324 -21.787 732 H GLU 120 H GLU 120 24.635 -0.444 -19.095 733 HA GLU 120 HA GLU 120 22.555 -1.518 -20.682 734 HB2 GLU 120 1HB GLU 120 24.524 -2.814 -19.919 735 HB3 GLU 120 2HB GLU 120 23.939 -2.748 -18.263 736 HG2 GLU 120 1HG GLU 120 21.960 -4.049 -18.891 737 HG3 GLU 120 2HG GLU 120 22.504 -4.086 -20.567 738 H GLU 121 H GLU 121 22.675 -0.951 -17.156 739 HA GLU 121 HA GLU 121 20.151 -2.038 -16.524 740 HB2 GLU 121 1HB GLU 121 21.728 0.233 -15.262 741 HB3 GLU 121 2HB GLU 121 20.231 -0.379 -14.575 742 HG2 GLU 121 1HG GLU 121 21.218 -2.585 -14.289 743 HG3 GLU 121 2HG GLU 121 22.701 -2.052 -15.077 744 H CYS 122 H CYS 122 21.015 1.288 -17.487 745 HA CYS 122 HA CYS 122 18.420 2.400 -17.212 746 HB2 CYS 122 1HB CYS 122 20.437 3.777 -17.510 747 HB3 CYS 122 2HB CYS 122 20.656 3.147 -19.136 748 H LYS 123 H LYS 123 20.045 1.033 -20.100 749 HA LYS 123 HA LYS 123 17.802 1.671 -21.809 750 HB2 LYS 123 1HB LYS 123 20.282 -0.042 -22.199 751 HB3 LYS 123 2HB LYS 123 19.074 0.179 -23.457 752 HG2 LYS 123 1HG LYS 123 19.480 2.605 -23.444 753 HG3 LYS 123 2HG LYS 123 20.674 2.401 -22.154 754 HD2 LYS 123 1HD LYS 123 22.101 1.072 -23.594 755 HD3 LYS 123 2HD LYS 123 20.866 1.035 -24.861 756 HE2 LYS 123 1HE LYS 123 21.062 3.448 -25.182 757 HE3 LYS 123 2HE LYS 123 22.198 3.568 -23.836 758 HZ1 LYS 123 1HZ LYS 123 23.323 3.541 -25.939 759 HZ2 LYS 123 2HZ LYS 123 23.724 2.193 -25.077 760 HZ3 LYS 123 3HZ LYS 123 22.664 2.083 -26.336 761 H GLU 124 H GLU 124 18.952 -1.279 -20.203 762 HA GLU 124 HA GLU 124 17.095 -3.015 -21.566 763 HB2 GLU 124 1HB GLU 124 18.712 -3.353 -19.011 764 HB3 GLU 124 2HB GLU 124 17.723 -4.630 -19.706 765 HG2 GLU 124 1HG GLU 124 20.086 -3.284 -21.033 766 HG3 GLU 124 2HG GLU 124 20.071 -4.884 -20.297 767 H THR 125 H THR 125 17.029 -1.219 -18.519 768 HA THR 125 HA THR 125 14.594 -2.294 -17.505 769 HB THR 125 HB THR 125 15.790 0.491 -17.185 770 HG1 THR 125 HG1 THR 125 17.136 -0.967 -16.239 771 HG21 THR 125 1HG2 THR 125 14.333 0.663 -15.205 772 HG22 THR 125 2HG2 THR 125 13.370 0.478 -16.690 773 HG23 THR 125 3HG2 THR 125 13.602 -0.909 -15.602 774 H CYS 126 H CYS 126 15.235 0.399 -19.741 775 HA CYS 126 HA CYS 126 12.496 1.191 -20.021 776 HB2 CYS 126 1HB CYS 126 14.882 1.507 -21.881 777 HB3 CYS 126 2HB CYS 126 13.312 2.242 -22.174 778 H LYS 127 H LYS 127 14.522 -1.193 -21.685 779 HA LYS 127 HA LYS 127 12.617 -1.932 -23.684 780 HB2 LYS 127 1HB LYS 127 14.847 -3.493 -22.329 781 HB3 LYS 127 2HB LYS 127 13.886 -4.142 -23.650 782 HG2 LYS 127 1HG LYS 127 14.662 -2.338 -25.128 783 HG3 LYS 127 2HG LYS 127 15.601 -1.646 -23.798 784 HD2 LYS 127 1HD LYS 127 16.862 -3.814 -23.633 785 HD3 LYS 127 2HD LYS 127 15.993 -4.379 -25.068 786 HE2 LYS 127 1HE LYS 127 16.913 -2.515 -26.383 787 HE3 LYS 127 2HE LYS 127 17.742 -1.894 -24.953 788 HZ1 LYS 127 1HZ LYS 127 19.205 -3.175 -26.334 789 HZ2 LYS 127 2HZ LYS 127 19.014 -3.928 -24.879 790 HZ3 LYS 127 3HZ LYS 127 18.240 -4.507 -26.215 791 H GLY 128 H GLY 128 13.101 -2.990 -20.333 792 HA2 GLY 128 1HA GLY 128 10.930 -3.470 -19.148 793 HA3 GLY 128 2HA GLY 128 10.487 -4.447 -20.535 794 H PHE 129 H PHE 129 13.739 -4.299 -19.145 795 HA PHE 129 HA PHE 129 13.912 -7.162 -18.930 796 HB2 PHE 129 1HB PHE 129 15.882 -5.698 -19.303 797 HB3 PHE 129 2HB PHE 129 15.675 -5.002 -17.704 798 HD1 PHE 129 HD1 PHE 129 16.342 -8.203 -19.475 799 HD2 PHE 129 HD2 PHE 129 16.627 -6.009 -15.820 800 HE1 PHE 129 HE1 PHE 129 17.759 -9.988 -18.516 801 HE2 PHE 129 HE2 PHE 129 18.046 -7.791 -14.859 802 HZ PHE 129 HZ PHE 129 18.611 -9.781 -16.208 803 H SER 130 H SER 130 13.349 -8.500 -17.368 804 HA SER 130 HA SER 130 13.333 -7.676 -14.574 805 HB2 SER 130 1HB SER 130 11.178 -6.753 -15.291 806 HB3 SER 130 2HB SER 130 10.712 -8.305 -15.970 807 HG SER 130 HG SER 130 11.332 -7.769 -13.277 Start of MODEL 10 1 H GLU 13 1H GLU 13 2.107 -2.338 1.070 2 HA GLU 13 HA GLU 13 3.409 -1.105 -0.471 3 HB2 GLU 13 1HB GLU 13 0.427 -0.485 -0.478 4 HB3 GLU 13 2HB GLU 13 1.496 -0.257 -1.855 5 HG2 GLU 13 1HG GLU 13 1.982 -2.674 -1.875 6 HG3 GLU 13 2HG GLU 13 0.900 -2.898 -0.503 7 H SER 14 H SER 14 4.606 0.386 0.988 8 HA SER 14 HA SER 14 3.442 2.928 1.692 9 HB2 SER 14 1HB SER 14 5.677 3.536 2.386 10 HB3 SER 14 2HB SER 14 5.350 1.887 2.893 11 HG SER 14 HG SER 14 7.327 2.732 1.489 12 H TRP 15 H TRP 15 4.873 1.662 -1.183 13 HA TRP 15 HA TRP 15 5.841 4.080 -2.343 14 HB2 TRP 15 1HB TRP 15 5.639 2.882 -4.498 15 HB3 TRP 15 2HB TRP 15 6.407 1.887 -3.269 16 HD1 TRP 15 HD1 TRP 15 5.248 -0.383 -2.633 17 HE1 TRP 15 HE1 TRP 15 3.178 -1.659 -3.512 18 HE3 TRP 15 HE3 TRP 15 3.169 3.350 -5.469 19 HZ2 TRP 15 HZ2 TRP 15 0.967 -1.125 -5.185 20 HZ3 TRP 15 HZ3 TRP 15 1.076 2.902 -6.686 21 HH2 TRP 15 HH2 TRP 15 -0.015 0.702 -6.548 22 H VAL 16 H VAL 16 2.647 2.954 -1.730 23 HA VAL 16 HA VAL 16 1.232 4.362 -3.767 24 HB VAL 16 HB VAL 16 0.434 3.595 -0.929 25 HG11 VAL 16 1HG1 VAL 16 -1.879 3.971 -1.631 26 HG12 VAL 16 2HG1 VAL 16 -0.920 5.470 -1.666 27 HG13 VAL 16 3HG1 VAL 16 -1.301 4.622 -3.184 28 HG21 VAL 16 1HG2 VAL 16 -0.794 1.788 -2.090 29 HG22 VAL 16 2HG2 VAL 16 -0.175 2.374 -3.653 30 HG23 VAL 16 3HG2 VAL 16 0.949 1.711 -2.442 31 H SER 17 H SER 17 2.462 5.340 -0.588 32 HA SER 17 HA SER 17 1.070 7.806 -0.384 33 HB2 SER 17 1HB SER 17 3.770 6.947 0.701 34 HB3 SER 17 2HB SER 17 2.967 8.443 1.151 35 HG SER 17 HG SER 17 1.640 7.399 2.325 36 H CYS 18 H CYS 18 4.059 6.927 -2.047 37 HA CYS 18 HA CYS 18 5.011 9.551 -2.571 38 HB2 CYS 18 1HB CYS 18 5.312 6.964 -4.141 39 HB3 CYS 18 2HB CYS 18 6.159 8.449 -4.552 40 H LEU 19 H LEU 19 2.399 7.714 -3.957 41 HA LEU 19 HA LEU 19 2.239 9.588 -6.263 42 HB2 LEU 19 1HB LEU 19 0.793 6.965 -5.745 43 HB3 LEU 19 2HB LEU 19 0.642 7.950 -7.203 44 HG LEU 19 HG LEU 19 3.173 6.550 -6.270 45 HD11 LEU 19 1HD1 LEU 19 2.768 5.090 -8.201 46 HD12 LEU 19 2HD1 LEU 19 1.441 5.000 -7.019 47 HD13 LEU 19 3HD1 LEU 19 1.235 5.936 -8.519 48 HD21 LEU 19 1HD2 LEU 19 4.040 7.236 -8.481 49 HD22 LEU 19 2HD2 LEU 19 2.524 8.113 -8.803 50 HD23 LEU 19 3HD2 LEU 19 3.604 8.653 -7.496 51 H ASP 20 H ASP 20 1.222 9.586 -3.209 52 HA ASP 20 HA ASP 20 -1.593 10.318 -3.753 53 HB2 ASP 20 1HB ASP 20 0.022 9.974 -1.204 54 HB3 ASP 20 2HB ASP 20 -1.597 10.661 -1.203 55 HA PRO 21 HA PRO 21 -1.265 14.666 -3.731 56 HB2 PRO 21 1HB PRO 21 -3.009 14.610 -1.236 57 HB3 PRO 21 2HB PRO 21 -3.188 15.596 -2.694 58 HG2 PRO 21 1HG PRO 21 -4.759 13.470 -2.423 59 HG3 PRO 21 2HG PRO 21 -4.012 13.775 -3.994 60 HD2 PRO 21 1HD PRO 21 -3.180 11.810 -1.823 61 HD3 PRO 21 2HD PRO 21 -3.241 11.571 -3.616 62 H GLU 22 H GLU 22 0.201 16.083 -2.908 63 HA GLU 22 HA GLU 22 2.103 15.165 -1.029 64 HB2 GLU 22 1HB GLU 22 1.501 17.955 -2.077 65 HB3 GLU 22 2HB GLU 22 2.866 17.606 -1.026 66 HG2 GLU 22 1HG GLU 22 3.850 17.516 -3.090 67 HG3 GLU 22 2HG GLU 22 3.477 15.815 -2.819 68 H GLN 23 H GLN 23 2.446 15.443 1.110 69 HA GLN 23 HA GLN 23 0.353 16.372 2.842 70 HB2 GLN 23 1HB GLN 23 1.951 14.807 3.720 71 HB3 GLN 23 2HB GLN 23 3.310 15.829 3.274 72 HG2 GLN 23 1HG GLN 23 3.004 15.966 5.632 73 HG3 GLN 23 2HG GLN 23 2.502 17.526 4.923 74 HE21 GLN 23 1HE2 GLN 23 -0.541 17.448 6.560 75 HE22 GLN 23 2HE2 GLN 23 0.820 18.342 5.967 76 H VAL 24 H VAL 24 -0.178 18.311 3.561 77 HA VAL 24 HA VAL 24 1.039 20.618 2.306 78 HB VAL 24 HB VAL 24 -1.065 20.389 4.500 79 HG11 VAL 24 1HG1 VAL 24 -1.603 22.721 3.992 80 HG12 VAL 24 2HG1 VAL 24 0.052 22.541 4.621 81 HG13 VAL 24 3HG1 VAL 24 -0.216 22.798 2.880 82 HG21 VAL 24 1HG2 VAL 24 -2.632 20.901 2.655 83 HG22 VAL 24 2HG2 VAL 24 -1.272 20.916 1.507 84 HG23 VAL 24 3HG2 VAL 24 -1.724 19.405 2.332 85 H THR 25 H THR 25 2.580 21.934 3.015 86 HA THR 25 HA THR 25 4.093 21.430 5.366 87 HB THR 25 HB THR 25 3.839 24.040 3.808 88 HG1 THR 25 HG1 THR 25 5.059 21.618 3.291 89 HG21 THR 25 1HG2 THR 25 6.075 24.513 4.727 90 HG22 THR 25 2HG2 THR 25 4.880 24.319 6.031 91 HG23 THR 25 3HG2 THR 25 6.016 23.001 5.662 92 H CYS 26 H CYS 26 3.977 22.066 7.421 93 HA CYS 26 HA CYS 26 1.541 23.638 8.145 94 HB2 CYS 26 1HB CYS 26 1.533 21.222 8.828 95 HB3 CYS 26 2HB CYS 26 2.968 21.519 9.797 96 H GLU 27 H GLU 27 1.675 25.283 9.589 97 HA GLU 27 HA GLU 27 4.316 26.454 9.940 98 HB2 GLU 27 1HB GLU 27 1.573 27.315 10.944 99 HB3 GLU 27 2HB GLU 27 3.040 28.268 11.119 100 HG2 GLU 27 1HG GLU 27 3.257 28.386 8.669 101 HG3 GLU 27 2HG GLU 27 1.784 27.434 8.495 102 H SER 28 H SER 28 5.147 24.567 11.170 103 HA SER 28 HA SER 28 4.962 25.161 14.041 104 HB2 SER 28 1HB SER 28 3.140 23.563 13.770 105 HB3 SER 28 2HB SER 28 4.193 22.454 12.906 106 HG SER 28 HG SER 28 3.768 22.483 15.400 107 H GLN 29 H GLN 29 6.729 24.496 15.217 108 HA GLN 29 HA GLN 29 8.971 23.413 13.577 109 HB2 GLN 29 1HB GLN 29 9.059 24.925 16.219 110 HB3 GLN 29 2HB GLN 29 10.455 24.384 15.298 111 HG2 GLN 29 1HG GLN 29 8.401 26.396 14.357 112 HG3 GLN 29 2HG GLN 29 10.030 26.763 14.990 113 HE21 GLN 29 1HE2 GLN 29 9.586 26.291 11.109 114 HE22 GLN 29 2HE2 GLN 29 8.372 26.781 12.244 115 H GLU 30 H GLU 30 6.701 21.984 15.072 116 HA GLU 30 HA GLU 30 7.891 20.650 17.317 117 HB2 GLU 30 1HB GLU 30 5.442 20.773 16.940 118 HB3 GLU 30 2HB GLU 30 5.605 19.765 15.509 119 HG2 GLU 30 1HG GLU 30 4.814 18.426 17.328 120 HG3 GLU 30 2HG GLU 30 6.452 17.921 16.918 121 H GLY 31 H GLY 31 7.756 19.941 13.854 122 HA2 GLY 31 1HA GLY 31 10.116 18.332 13.913 123 HA3 GLY 31 2HA GLY 31 8.724 17.266 13.942 124 H THR 32 H THR 32 10.085 16.818 11.820 125 HA THR 32 HA THR 32 8.800 18.395 9.633 126 HB THR 32 HB THR 32 10.821 18.227 8.293 127 HG1 THR 32 HG1 THR 32 12.581 17.084 8.973 128 HG21 THR 32 1HG2 THR 32 12.374 19.585 9.640 129 HG22 THR 32 2HG2 THR 32 10.694 20.121 9.875 130 HG23 THR 32 3HG2 THR 32 11.495 19.133 11.118 131 H HIS 33 H HIS 33 9.181 17.133 7.458 132 HA HIS 33 HA HIS 33 9.067 14.207 7.775 133 HB2 HIS 33 1HB HIS 33 6.879 13.949 6.734 134 HB3 HIS 33 2HB HIS 33 6.730 14.857 8.231 135 HD1 HIS 33 HD1 HIS 33 6.090 17.374 8.067 136 HD2 HIS 33 HD2 HIS 33 6.252 15.488 4.302 137 HE1 HIS 33 HE1 HIS 33 4.933 18.866 6.516 138 H ALA 34 H ALA 34 9.064 13.067 5.754 139 HA ALA 34 HA ALA 34 10.083 14.756 3.521 140 HB1 ALA 34 1HB ALA 34 11.069 12.666 2.639 141 HB2 ALA 34 2HB ALA 34 11.645 13.023 4.284 142 HB3 ALA 34 3HB ALA 34 10.403 11.776 4.027 143 H SER 35 H SER 35 9.223 14.669 1.500 144 HA SER 35 HA SER 35 6.848 12.966 1.060 145 HB2 SER 35 1HB SER 35 5.926 14.927 2.184 146 HB3 SER 35 2HB SER 35 6.761 16.000 1.071 147 HG SER 35 HG SER 35 5.043 14.001 0.143 148 H TYR 36 H TYR 36 6.419 12.544 -1.047 149 HA TYR 36 HA TYR 36 8.498 13.315 -2.962 150 HB2 TYR 36 1HB TYR 36 7.610 10.998 -2.894 151 HB3 TYR 36 2HB TYR 36 6.010 11.595 -3.311 152 HD1 TYR 36 HD1 TYR 36 9.471 11.152 -4.543 153 HD2 TYR 36 HD2 TYR 36 5.418 12.132 -5.552 154 HE1 TYR 36 HE1 TYR 36 10.019 10.944 -6.944 155 HE2 TYR 36 HE2 TYR 36 5.965 11.924 -7.953 156 HH TYR 36 HH TYR 36 9.272 11.199 -9.030 157 H ASN 37 H ASN 37 8.432 15.257 -3.827 158 HA ASN 37 HA ASN 37 5.845 16.581 -4.289 159 HB2 ASN 37 1HB ASN 37 7.808 17.811 -3.363 160 HB3 ASN 37 2HB ASN 37 8.663 17.545 -4.876 161 HD21 ASN 37 1HD2 ASN 37 6.925 20.889 -4.764 162 HD22 ASN 37 2HD2 ASN 37 7.931 20.049 -3.632 163 H ARG 38 H ARG 38 4.698 16.108 -6.008 164 HA ARG 38 HA ARG 38 5.895 14.617 -8.176 165 HB2 ARG 38 1HB ARG 38 3.113 15.776 -7.812 166 HB3 ARG 38 2HB ARG 38 3.583 14.757 -9.164 167 HG2 ARG 38 1HG ARG 38 3.971 12.881 -7.712 168 HG3 ARG 38 2HG ARG 38 3.745 13.895 -6.266 169 HD2 ARG 38 1HD ARG 38 1.655 13.367 -8.366 170 HD3 ARG 38 2HD ARG 38 1.789 12.527 -6.803 171 HE ARG 38 HE ARG 38 1.724 15.248 -6.223 172 HH11 ARG 38 1HH1 ARG 38 -0.371 12.890 -7.768 173 HH12 ARG 38 2HH1 ARG 38 -1.845 13.710 -7.306 174 HH21 ARG 38 1HH2 ARG 38 -0.196 16.304 -5.628 175 HH22 ARG 38 2HH2 ARG 38 -1.747 15.643 -6.095 176 H LYS 39 H LYS 39 5.402 17.957 -7.557 177 HA LYS 39 HA LYS 39 5.286 18.785 -10.347 178 HB2 LYS 39 1HB LYS 39 5.820 20.317 -7.773 179 HB3 LYS 39 2HB LYS 39 5.731 21.074 -9.358 180 HG2 LYS 39 1HG LYS 39 3.399 20.311 -9.601 181 HG3 LYS 39 2HG LYS 39 3.488 19.539 -8.012 182 HD2 LYS 39 1HD LYS 39 3.949 21.734 -6.968 183 HD3 LYS 39 2HD LYS 39 3.863 22.507 -8.558 184 HE2 LYS 39 1HE LYS 39 1.518 21.788 -8.796 185 HE3 LYS 39 2HE LYS 39 1.596 20.976 -7.230 186 HZ1 LYS 39 1HZ LYS 39 0.593 23.133 -7.056 187 HZ2 LYS 39 2HZ LYS 39 2.009 23.108 -6.210 188 HZ3 LYS 39 3HZ LYS 39 1.935 23.867 -7.673 189 H THR 40 H THR 40 7.759 17.807 -8.189 190 HA THR 40 HA THR 40 9.812 18.994 -10.007 191 HB THR 40 HB THR 40 11.413 18.772 -8.134 192 HG1 THR 40 HG1 THR 40 9.236 17.441 -7.005 193 HG21 THR 40 1HG2 THR 40 10.467 20.512 -6.669 194 HG22 THR 40 2HG2 THR 40 10.139 20.874 -8.380 195 HG23 THR 40 3HG2 THR 40 8.851 20.211 -7.348 196 H GLY 41 H GLY 41 8.471 16.089 -8.660 197 HA2 GLY 41 1HA GLY 41 8.731 13.918 -9.527 198 HA3 GLY 41 2HA GLY 41 10.028 14.488 -10.560 199 H GLN 42 H GLN 42 9.979 15.168 -7.111 200 HA GLN 42 HA GLN 42 11.821 12.987 -6.461 201 HB2 GLN 42 1HB GLN 42 13.706 14.426 -5.845 202 HB3 GLN 42 2HB GLN 42 13.348 14.591 -7.558 203 HG2 GLN 42 1HG GLN 42 12.149 16.692 -7.109 204 HG3 GLN 42 2HG GLN 42 12.548 16.527 -5.376 205 HE21 GLN 42 1HE2 GLN 42 15.269 18.620 -6.067 206 HE22 GLN 42 2HE2 GLN 42 13.714 18.460 -5.320 207 H CYS 43 H CYS 43 12.542 13.074 -4.188 208 HA CYS 43 HA CYS 43 10.247 14.017 -2.569 209 HB2 CYS 43 1HB CYS 43 10.939 11.630 -2.421 210 HB3 CYS 43 2HB CYS 43 12.524 12.130 -1.849 211 H GLU 44 H GLU 44 10.389 15.420 -0.898 212 HA GLU 44 HA GLU 44 13.076 16.520 -0.245 213 HB2 GLU 44 1HB GLU 44 12.254 18.813 -0.424 214 HB3 GLU 44 2HB GLU 44 12.068 17.993 -1.967 215 HG2 GLU 44 1HG GLU 44 9.670 17.603 -1.430 216 HG3 GLU 44 2HG GLU 44 9.884 18.524 0.057 217 H GLU 45 H GLU 45 13.103 17.826 1.719 218 HA GLU 45 HA GLU 45 11.221 16.681 3.705 219 HB2 GLU 45 1HB GLU 45 13.669 16.506 4.125 220 HB3 GLU 45 2HB GLU 45 13.796 18.259 4.102 221 HG2 GLU 45 1HG GLU 45 12.331 18.404 6.066 222 HG3 GLU 45 2HG GLU 45 12.169 16.649 6.082 223 H GLN 46 H GLN 46 9.644 17.791 4.611 224 HA GLN 46 HA GLN 46 9.777 20.773 4.469 225 HB2 GLN 46 1HB GLN 46 7.322 19.001 4.144 226 HB3 GLN 46 2HB GLN 46 7.283 20.753 4.270 227 HG2 GLN 46 1HG GLN 46 8.618 20.932 2.209 228 HG3 GLN 46 2HG GLN 46 8.611 19.150 2.076 229 HE21 GLN 46 1HE2 GLN 46 5.948 20.060 -0.164 230 HE22 GLN 46 2HE2 GLN 46 7.675 19.946 -0.087 231 H LYS 47 H LYS 47 8.926 21.939 6.189 232 HA LYS 47 HA LYS 47 8.882 20.519 8.747 233 HB2 LYS 47 1HB LYS 47 8.444 23.440 8.014 234 HB3 LYS 47 2HB LYS 47 8.417 22.830 9.663 235 HG2 LYS 47 1HG LYS 47 10.771 22.022 9.344 236 HG3 LYS 47 2HG LYS 47 10.774 22.810 7.760 237 HD2 LYS 47 1HD LYS 47 10.348 24.985 8.802 238 HD3 LYS 47 2HD LYS 47 10.226 24.225 10.396 239 HE2 LYS 47 1HE LYS 47 12.589 23.435 10.151 240 HE3 LYS 47 2HE LYS 47 12.695 24.315 8.624 241 HZ1 LYS 47 1HZ LYS 47 13.578 25.587 10.438 242 HZ2 LYS 47 2HZ LYS 47 12.244 26.341 9.828 243 HZ3 LYS 47 3HZ LYS 47 12.147 25.519 11.255 244 H GLY 48 H GLY 48 7.195 20.030 10.012 245 HA2 GLY 48 1HA GLY 48 4.817 21.002 10.533 246 HA3 GLY 48 2HA GLY 48 4.475 20.522 8.881 247 H THR 49 H THR 49 3.131 19.527 11.182 248 HA THR 49 HA THR 49 3.941 16.656 11.041 249 HB THR 49 HB THR 49 3.132 16.400 13.398 250 HG1 THR 49 HG1 THR 49 1.902 18.496 13.213 251 HG21 THR 49 1HG2 THR 49 5.087 17.452 14.466 252 HG22 THR 49 2HG2 THR 49 5.539 16.691 12.922 253 HG23 THR 49 3HG2 THR 49 5.342 18.457 13.021 254 H GLU 50 H GLU 50 2.381 16.767 9.223 255 HA GLU 50 HA GLU 50 0.325 16.173 8.371 256 HB2 GLU 50 1HB GLU 50 -0.055 15.095 11.195 257 HB3 GLU 50 2HB GLU 50 -1.091 14.712 9.828 258 HG2 GLU 50 1HG GLU 50 0.886 13.737 8.660 259 HG3 GLU 50 2HG GLU 50 1.842 14.031 10.111 260 H CYS 51 H CYS 51 0.028 18.595 8.369 261 HA CYS 51 HA CYS 51 -2.436 19.210 9.947 262 HB2 CYS 51 1HB CYS 51 -0.465 21.169 8.706 263 HB3 CYS 51 2HB CYS 51 -1.902 21.593 9.625 264 H GLY 52 H GLY 52 -3.058 17.691 7.937 265 HA2 GLY 52 1HA GLY 52 -4.805 17.910 6.312 266 HA3 GLY 52 2HA GLY 52 -4.308 19.563 6.000 267 H GLY 53 H GLY 53 -4.803 17.759 3.937 268 HA2 GLY 53 1HA GLY 53 -3.453 17.724 1.865 269 HA3 GLY 53 2HA GLY 53 -2.053 17.309 2.836 270 H GLY 54 H GLY 54 -1.856 15.509 1.298 271 HA2 GLY 54 1HA GLY 54 -3.849 13.333 1.592 272 HA3 GLY 54 2HA GLY 54 -2.524 13.381 0.444 273 H GLU 55 H GLU 55 -2.105 11.172 1.161 274 HA GLU 55 HA GLU 55 -0.912 10.929 3.863 275 HB2 GLU 55 1HB GLU 55 -1.463 8.844 1.712 276 HB3 GLU 55 2HB GLU 55 -0.776 8.497 3.292 277 HG2 GLU 55 1HG GLU 55 -3.515 9.689 2.805 278 HG3 GLU 55 2HG GLU 55 -3.180 7.992 3.142 279 H ASN 56 H ASN 56 0.186 12.238 1.209 280 HA ASN 56 HA ASN 56 2.577 10.638 0.701 281 HB2 ASN 56 1HB ASN 56 1.454 11.975 -1.072 282 HB3 ASN 56 2HB ASN 56 1.875 13.448 -0.209 283 HD21 ASN 56 1HD2 ASN 56 4.365 12.587 -2.907 284 HD22 ASN 56 2HD2 ASN 56 2.634 12.637 -2.878 285 H HIS 57 H HIS 57 3.232 10.591 2.985 286 HA HIS 57 HA HIS 57 5.495 12.421 3.187 287 HB2 HIS 57 1HB HIS 57 4.987 13.250 5.446 288 HB3 HIS 57 2HB HIS 57 3.813 13.827 4.272 289 HD2 HIS 57 HD2 HIS 57 3.898 11.944 7.602 290 HE1 HIS 57 HE1 HIS 57 -0.051 11.546 6.050 291 HE2 HIS 57 HE2 HIS 57 1.446 11.218 8.088 292 H PHE 58 H PHE 58 7.041 11.788 4.763 293 HA PHE 58 HA PHE 58 6.661 8.991 5.715 294 HB2 PHE 58 1HB PHE 58 9.016 9.977 4.056 295 HB3 PHE 58 2HB PHE 58 8.893 8.393 4.803 296 HD1 PHE 58 HD1 PHE 58 7.678 10.557 2.108 297 HD2 PHE 58 HD2 PHE 58 7.418 6.691 3.907 298 HE1 PHE 58 HE1 PHE 58 6.539 9.696 0.089 299 HE2 PHE 58 HE2 PHE 58 6.282 5.825 1.890 300 HZ PHE 58 HZ PHE 58 5.841 7.330 -0.019 301 H GLU 59 H GLU 59 8.369 8.274 7.200 302 HA GLU 59 HA GLU 59 8.675 10.167 9.304 303 HB2 GLU 59 1HB GLU 59 10.036 7.496 8.784 304 HB3 GLU 59 2HB GLU 59 10.253 8.417 10.266 305 HG2 GLU 59 1HG GLU 59 7.921 8.205 10.823 306 HG3 GLU 59 2HG GLU 59 7.562 7.479 9.258 307 H THR 60 H THR 60 10.898 9.066 6.768 308 HA THR 60 HA THR 60 12.475 11.512 7.158 309 HB THR 60 HB THR 60 13.509 9.836 8.742 310 HG1 THR 60 HG1 THR 60 15.228 10.957 8.266 311 HG21 THR 60 1HG2 THR 60 14.808 7.989 7.757 312 HG22 THR 60 2HG2 THR 60 13.073 7.806 7.404 313 HG23 THR 60 3HG2 THR 60 14.179 8.401 6.145 314 H LEU 61 H LEU 61 14.507 11.303 5.574 315 HA LEU 61 HA LEU 61 13.233 11.334 2.996 316 HB2 LEU 61 1HB LEU 61 15.070 12.861 3.625 317 HB3 LEU 61 2HB LEU 61 16.178 11.490 3.735 318 HG LEU 61 HG LEU 61 15.907 11.087 1.305 319 HD11 LEU 61 1HD1 LEU 61 14.735 12.752 -0.065 320 HD12 LEU 61 2HD1 LEU 61 13.631 11.939 1.068 321 HD13 LEU 61 3HD1 LEU 61 14.200 13.590 1.410 322 HD21 LEU 61 1HD2 LEU 61 17.137 13.103 0.576 323 HD22 LEU 61 2HD2 LEU 61 16.636 13.947 2.061 324 HD23 LEU 61 3HD2 LEU 61 17.718 12.537 2.160 325 H LEU 62 H LEU 62 15.603 9.162 4.534 326 HA LEU 62 HA LEU 62 16.108 7.456 2.363 327 HB2 LEU 62 1HB LEU 62 17.239 7.381 4.589 328 HB3 LEU 62 2HB LEU 62 15.782 6.659 5.278 329 HG LEU 62 HG LEU 62 17.165 5.307 2.967 330 HD11 LEU 62 1HD1 LEU 62 18.557 4.082 4.576 331 HD12 LEU 62 2HD1 LEU 62 18.935 5.821 4.569 332 HD13 LEU 62 3HD1 LEU 62 17.961 5.126 5.887 333 HD21 LEU 62 1HD2 LEU 62 16.217 3.317 4.085 334 HD22 LEU 62 2HD2 LEU 62 15.587 4.350 5.391 335 HD23 LEU 62 3HD2 LEU 62 14.952 4.519 3.737 336 H LYS 63 H LYS 63 13.550 7.149 4.850 337 HA LYS 63 HA LYS 63 12.310 4.850 3.750 338 HB2 LYS 63 1HB LYS 63 11.835 5.766 6.017 339 HB3 LYS 63 2HB LYS 63 11.017 7.140 5.287 340 HG2 LYS 63 1HG LYS 63 9.295 5.691 4.366 341 HG3 LYS 63 2HG LYS 63 10.151 4.254 4.945 342 HD2 LYS 63 1HD LYS 63 9.888 5.052 7.281 343 HD3 LYS 63 2HD LYS 63 9.005 6.466 6.689 344 HE2 LYS 63 1HE LYS 63 7.252 5.032 5.765 345 HE3 LYS 63 2HE LYS 63 8.153 3.585 6.225 346 HZ1 LYS 63 1HZ LYS 63 6.436 4.093 7.801 347 HZ2 LYS 63 2HZ LYS 63 7.913 4.235 8.522 348 HZ3 LYS 63 3HZ LYS 63 7.071 5.587 8.093 349 H CYS 64 H CYS 64 11.821 8.302 3.070 350 HA CYS 64 HA CYS 64 9.581 8.001 1.342 351 HB2 CYS 64 1HB CYS 64 10.348 10.179 2.252 352 HB3 CYS 64 2HB CYS 64 11.794 10.089 1.257 353 H ASN 65 H ASN 65 13.079 8.197 0.600 354 HA ASN 65 HA ASN 65 12.713 7.967 -2.234 355 HB2 ASN 65 1HB ASN 65 15.088 7.538 -0.409 356 HB3 ASN 65 2HB ASN 65 15.194 7.297 -2.147 357 HD21 ASN 65 1HD2 ASN 65 16.269 10.739 -1.412 358 HD22 ASN 65 2HD2 ASN 65 16.787 9.139 -0.996 359 H GLU 66 H GLU 66 13.359 5.573 0.304 360 HA GLU 66 HA GLU 66 13.740 3.379 -1.514 361 HB2 GLU 66 1HB GLU 66 12.989 3.496 1.431 362 HB3 GLU 66 2HB GLU 66 13.253 1.986 0.570 363 HG2 GLU 66 1HG GLU 66 15.301 4.192 0.883 364 HG3 GLU 66 2HG GLU 66 15.210 2.734 1.868 365 H SER 67 H SER 67 10.912 4.752 0.108 366 HA SER 67 HA SER 67 9.082 2.682 -0.683 367 HB2 SER 67 1HB SER 67 8.650 5.604 0.015 368 HB3 SER 67 2HB SER 67 7.348 4.454 -0.248 369 HG SER 67 HG SER 67 9.288 4.537 1.754 370 H CYS 68 H CYS 68 9.960 5.833 -2.114 371 HA CYS 68 HA CYS 68 8.093 5.670 -4.277 372 HB2 CYS 68 1HB CYS 68 10.707 7.203 -4.009 373 HB3 CYS 68 2HB CYS 68 9.575 7.413 -5.337 374 H ASN 69 H ASN 69 11.276 4.323 -3.757 375 HA ASN 69 HA ASN 69 11.942 3.783 -6.485 376 HB2 ASN 69 1HB ASN 69 13.514 3.664 -4.529 377 HB3 ASN 69 2HB ASN 69 12.721 2.176 -4.031 378 HD21 ASN 69 1HD2 ASN 69 14.662 0.194 -6.073 379 HD22 ASN 69 2HD2 ASN 69 13.665 0.380 -4.669 380 H ASP 70 H ASP 70 9.645 2.352 -4.344 381 HA ASP 70 HA ASP 70 9.550 -0.134 -5.966 382 HB2 ASP 70 1HB ASP 70 8.241 0.623 -3.325 383 HB3 ASP 70 2HB ASP 70 7.954 -0.897 -4.160 384 H ALA 71 H ALA 71 8.353 2.826 -6.314 385 HA ALA 71 HA ALA 71 5.534 2.240 -6.702 386 HB1 ALA 71 1HB ALA 71 5.454 4.497 -7.711 387 HB2 ALA 71 2HB ALA 71 6.288 4.507 -6.139 388 HB3 ALA 71 3HB ALA 71 7.229 4.581 -7.646 389 HA PRO 72 HA PRO 72 5.709 0.651 -10.734 390 HB2 PRO 72 1HB PRO 72 3.221 1.286 -11.690 391 HB3 PRO 72 2HB PRO 72 3.454 0.092 -10.406 392 HG2 PRO 72 1HG PRO 72 2.712 3.039 -10.164 393 HG3 PRO 72 2HG PRO 72 1.954 1.652 -9.377 394 HD2 PRO 72 1HD PRO 72 3.816 3.177 -8.091 395 HD3 PRO 72 2HD PRO 72 3.695 1.394 -7.811 396 H LYS 73 H LYS 73 5.381 4.004 -10.084 397 HA LYS 73 HA LYS 73 5.066 5.142 -12.641 398 HB2 LYS 73 1HB LYS 73 5.087 6.396 -10.468 399 HB3 LYS 73 2HB LYS 73 6.829 6.174 -10.383 400 HG2 LYS 73 1HG LYS 73 7.147 7.502 -12.396 401 HG3 LYS 73 2HG LYS 73 5.397 7.636 -12.621 402 HD2 LYS 73 1HD LYS 73 5.228 8.810 -10.431 403 HD3 LYS 73 2HD LYS 73 6.988 8.719 -10.266 404 HE2 LYS 73 1HE LYS 73 7.277 10.059 -12.300 405 HE3 LYS 73 2HE LYS 73 5.530 10.096 -12.552 406 HZ1 LYS 73 1HZ LYS 73 6.313 12.096 -11.516 407 HZ2 LYS 73 2HZ LYS 73 5.314 11.288 -10.481 408 HZ3 LYS 73 3HZ LYS 73 6.946 11.255 -10.246 409 HA PRO 74 HA PRO 74 8.479 3.671 -14.909 410 HB2 PRO 74 1HB PRO 74 8.063 6.353 -16.299 411 HB3 PRO 74 2HB PRO 74 8.317 4.759 -17.021 412 HG2 PRO 74 1HG PRO 74 5.839 5.713 -16.940 413 HG3 PRO 74 2HG PRO 74 6.109 4.020 -16.514 414 HD2 PRO 74 1HD PRO 74 5.671 6.412 -14.689 415 HD3 PRO 74 2HD PRO 74 5.025 4.729 -14.541 416 HA PRO 75 HA PRO 75 11.786 5.597 -12.736 417 HB2 PRO 75 1HB PRO 75 13.344 4.565 -15.144 418 HB3 PRO 75 2HB PRO 75 13.745 4.435 -13.427 419 HG2 PRO 75 1HG PRO 75 12.708 2.307 -14.634 420 HG3 PRO 75 2HG PRO 75 12.115 2.743 -13.028 421 HD2 PRO 75 1HD PRO 75 10.849 3.250 -15.745 422 HD3 PRO 75 2HD PRO 75 10.063 2.748 -14.194 423 H CYS 76 H CYS 76 11.307 6.030 -16.231 424 HA CYS 76 HA CYS 76 13.158 8.259 -16.441 425 HB2 CYS 76 1HB CYS 76 11.036 7.179 -18.332 426 HB3 CYS 76 2HB CYS 76 12.110 8.511 -18.732 427 H SER 77 H SER 77 10.045 7.944 -15.200 428 HA SER 77 HA SER 77 9.276 10.725 -15.868 429 HB2 SER 77 1HB SER 77 7.858 8.551 -14.292 430 HB3 SER 77 2HB SER 77 7.202 10.152 -14.596 431 HG SER 77 HG SER 77 7.663 9.619 -16.874 432 H LEU 78 H LEU 78 11.264 9.267 -13.690 433 HA LEU 78 HA LEU 78 10.582 11.186 -11.515 434 HB2 LEU 78 1HB LEU 78 12.179 8.620 -11.598 435 HB3 LEU 78 2HB LEU 78 12.364 9.769 -10.270 436 HG LEU 78 HG LEU 78 9.741 9.527 -10.084 437 HD11 LEU 78 1HD1 LEU 78 8.979 7.280 -10.715 438 HD12 LEU 78 2HD1 LEU 78 9.480 8.228 -12.135 439 HD13 LEU 78 3HD1 LEU 78 10.551 6.964 -11.485 440 HD21 LEU 78 1HD2 LEU 78 10.108 7.660 -8.505 441 HD22 LEU 78 2HD2 LEU 78 11.697 7.348 -9.244 442 HD23 LEU 78 3HD2 LEU 78 11.404 8.873 -8.375 443 H GLU 79 H GLU 79 12.259 12.410 -10.509 444 HA GLU 79 HA GLU 79 13.963 13.574 -12.583 445 HB2 GLU 79 1HB GLU 79 12.621 14.914 -10.890 446 HB3 GLU 79 2HB GLU 79 13.741 14.362 -9.653 447 HG2 GLU 79 1HG GLU 79 14.308 16.593 -10.414 448 HG3 GLU 79 2HG GLU 79 15.596 15.454 -10.798 449 H VAL 80 H VAL 80 16.206 13.952 -12.410 450 HA VAL 80 HA VAL 80 17.736 11.694 -11.672 451 HB VAL 80 HB VAL 80 18.591 14.594 -12.058 452 HG11 VAL 80 1HG1 VAL 80 20.845 13.711 -12.412 453 HG12 VAL 80 2HG1 VAL 80 20.258 13.398 -10.761 454 HG13 VAL 80 3HG1 VAL 80 20.278 12.085 -11.963 455 HG21 VAL 80 1HG2 VAL 80 19.246 13.796 -14.307 456 HG22 VAL 80 2HG2 VAL 80 18.623 12.176 -13.912 457 HG23 VAL 80 3HG2 VAL 80 17.506 13.558 -14.021 458 H ASP 81 H ASP 81 18.583 10.983 -9.836 459 HA ASP 81 HA ASP 81 19.182 12.894 -7.668 460 HB2 ASP 81 1HB ASP 81 16.838 12.148 -7.243 461 HB3 ASP 81 2HB ASP 81 17.383 10.476 -7.229 462 H TYR 82 H TYR 82 21.328 12.496 -7.759 463 HA TYR 82 HA TYR 82 22.208 9.658 -7.545 464 HB2 TYR 82 1HB TYR 82 24.482 10.622 -8.100 465 HB3 TYR 82 2HB TYR 82 23.281 10.772 -9.375 466 HD1 TYR 82 HD1 TYR 82 25.167 12.592 -6.778 467 HD2 TYR 82 HD2 TYR 82 22.475 12.908 -10.104 468 HE1 TYR 82 HE1 TYR 82 25.575 15.028 -6.877 469 HE2 TYR 82 HE2 TYR 82 22.883 15.344 -10.203 470 HH TYR 82 HH TYR 82 25.075 16.937 -7.899 471 H GLY 83 H GLY 83 21.154 11.626 -5.403 472 HA2 GLY 83 1HA GLY 83 21.451 11.455 -3.082 473 HA3 GLY 83 2HA GLY 83 22.926 10.542 -3.344 474 H VAL 84 H VAL 84 23.117 12.276 -1.379 475 HA VAL 84 HA VAL 84 24.791 14.448 -2.559 476 HB VAL 84 HB VAL 84 24.143 15.875 -0.597 477 HG11 VAL 84 1HG1 VAL 84 21.944 16.511 -1.460 478 HG12 VAL 84 2HG1 VAL 84 23.113 16.214 -2.769 479 HG13 VAL 84 3HG1 VAL 84 21.871 14.996 -2.390 480 HG21 VAL 84 1HG2 VAL 84 22.112 15.250 0.670 481 HG22 VAL 84 2HG2 VAL 84 22.053 13.695 -0.195 482 HG23 VAL 84 3HG2 VAL 84 23.408 14.053 0.902 483 H GLY 85 H GLY 85 25.904 12.038 -1.982 484 HA2 GLY 85 1HA GLY 85 26.824 12.084 0.846 485 HA3 GLY 85 2HA GLY 85 26.939 10.724 -0.255 486 H ARG 86 H ARG 86 29.062 10.278 -0.427 487 HA ARG 86 HA ARG 86 30.917 12.484 -1.140 488 HB2 ARG 86 1HB ARG 86 31.282 10.603 1.215 489 HB3 ARG 86 2HB ARG 86 32.551 11.628 0.562 490 HG2 ARG 86 1HG ARG 86 29.938 12.671 1.679 491 HG3 ARG 86 2HG ARG 86 31.460 12.538 2.593 492 HD2 ARG 86 1HD ARG 86 32.538 14.010 0.971 493 HD3 ARG 86 2HD ARG 86 30.989 14.175 0.113 494 HE ARG 86 HE ARG 86 31.740 15.360 2.683 495 HH11 ARG 86 1HH1 ARG 86 29.193 14.666 0.365 496 HH12 ARG 86 2HH1 ARG 86 28.121 15.901 0.984 497 HH21 ARG 86 1HH2 ARG 86 30.339 16.961 3.478 498 HH22 ARG 86 2HH2 ARG 86 28.768 17.201 2.745 499 H ALA 87 H ALA 87 29.760 9.391 -1.617 500 HA ALA 87 HA ALA 87 32.224 8.100 -2.425 501 HB1 ALA 87 1HB ALA 87 30.726 6.391 -3.402 502 HB2 ALA 87 2HB ALA 87 30.266 6.794 -1.730 503 HB3 ALA 87 3HB ALA 87 29.330 7.449 -3.094 504 H ASN 88 H ASN 88 32.568 7.282 -4.655 505 HA ASN 88 HA ASN 88 31.699 9.285 -6.690 506 HB2 ASN 88 1HB ASN 88 34.511 8.205 -6.301 507 HB3 ASN 88 2HB ASN 88 33.985 9.187 -7.662 508 HD21 ASN 88 1HD2 ASN 88 35.065 10.884 -4.188 509 HD22 ASN 88 2HD2 ASN 88 35.192 9.186 -4.503 510 H ILE 89 H ILE 89 30.116 7.543 -7.053 511 HA ILE 89 HA ILE 89 31.312 5.377 -8.729 512 HB ILE 89 HB ILE 89 28.656 5.402 -7.231 513 HG12 ILE 89 1HG1 ILE 89 31.121 3.720 -6.738 514 HG13 ILE 89 2HG1 ILE 89 30.724 5.173 -5.834 515 HG21 ILE 89 1HG2 ILE 89 28.482 3.059 -7.965 516 HG22 ILE 89 2HG2 ILE 89 28.526 4.163 -9.359 517 HG23 ILE 89 3HG2 ILE 89 29.978 3.239 -8.911 518 HD11 ILE 89 1HD1 ILE 89 30.041 3.176 -4.627 519 HD12 ILE 89 2HD1 ILE 89 28.621 4.148 -5.084 520 HD13 ILE 89 3HD1 ILE 89 29.024 2.674 -5.998 521 HA PRO 90 HA PRO 90 29.445 7.837 -11.964 522 HB2 PRO 90 1HB PRO 90 30.627 5.512 -13.515 523 HB3 PRO 90 2HB PRO 90 30.728 7.244 -13.857 524 HG2 PRO 90 1HG PRO 90 32.854 6.041 -12.800 525 HG3 PRO 90 2HG PRO 90 32.375 7.624 -12.181 526 HD2 PRO 90 1HD PRO 90 31.828 4.864 -11.009 527 HD3 PRO 90 2HD PRO 90 32.376 6.369 -10.167 528 H ARG 91 H ARG 91 27.316 7.632 -12.297 529 HA ARG 91 HA ARG 91 26.270 5.028 -13.259 530 HB2 ARG 91 1HB ARG 91 25.052 6.614 -10.973 531 HB3 ARG 91 2HB ARG 91 24.275 5.261 -11.780 532 HG2 ARG 91 1HG ARG 91 26.165 3.800 -11.051 533 HG3 ARG 91 2HG ARG 91 26.807 5.179 -10.126 534 HD2 ARG 91 1HD ARG 91 25.541 3.762 -8.681 535 HD3 ARG 91 2HD ARG 91 24.671 5.297 -8.911 536 HE ARG 91 HE ARG 91 22.987 4.177 -10.028 537 HH11 ARG 91 1HH1 ARG 91 25.706 2.021 -9.483 538 HH12 ARG 91 2HH1 ARG 91 24.816 0.582 -9.929 539 HH21 ARG 91 1HH2 ARG 91 21.842 2.303 -10.604 540 HH22 ARG 91 2HH2 ARG 91 22.628 0.741 -10.563 541 H TRP 92 H TRP 92 24.065 5.230 -14.178 542 HA TRP 92 HA TRP 92 24.074 7.739 -15.776 543 HB2 TRP 92 1HB TRP 92 23.036 4.938 -16.318 544 HB3 TRP 92 2HB TRP 92 22.590 6.308 -17.325 545 HD1 TRP 92 HD1 TRP 92 25.552 4.029 -16.495 546 HE1 TRP 92 HE1 TRP 92 27.417 4.379 -18.252 547 HE3 TRP 92 HE3 TRP 92 23.580 8.084 -18.938 548 HZ2 TRP 92 HZ2 TRP 92 27.953 6.148 -20.386 549 HZ3 TRP 92 HZ3 TRP 92 24.820 9.060 -20.829 550 HH2 TRP 92 HH2 TRP 92 26.972 8.109 -21.549 551 H TYR 93 H TYR 93 22.426 9.121 -15.805 552 HA TYR 93 HA TYR 93 19.850 8.252 -14.579 553 HB2 TYR 93 1HB TYR 93 21.293 10.880 -14.038 554 HB3 TYR 93 2HB TYR 93 19.667 10.489 -13.495 555 HD1 TYR 93 HD1 TYR 93 23.234 9.477 -13.202 556 HD2 TYR 93 HD2 TYR 93 19.293 9.274 -11.518 557 HE1 TYR 93 HE1 TYR 93 24.163 8.459 -11.151 558 HE2 TYR 93 HE2 TYR 93 20.222 8.255 -9.467 559 HH TYR 93 HH TYR 93 22.042 7.505 -8.447 560 H TYR 94 H TYR 94 17.993 9.187 -15.372 561 HA TYR 94 HA TYR 94 18.309 10.290 -18.092 562 HB2 TYR 94 1HB TYR 94 16.721 8.443 -17.767 563 HB3 TYR 94 2HB TYR 94 15.852 9.366 -16.550 564 HD1 TYR 94 HD1 TYR 94 16.941 9.617 -20.126 565 HD2 TYR 94 HD2 TYR 94 13.983 10.569 -17.167 566 HE1 TYR 94 HE1 TYR 94 15.488 10.570 -21.884 567 HE2 TYR 94 HE2 TYR 94 12.531 11.522 -18.925 568 HH TYR 94 HH TYR 94 12.277 11.907 -21.094 569 H ASP 95 H ASP 95 18.325 12.362 -18.500 570 HA ASP 95 HA ASP 95 17.319 14.280 -16.517 571 HB2 ASP 95 1HB ASP 95 19.401 14.737 -17.791 572 HB3 ASP 95 2HB ASP 95 18.490 14.717 -19.295 573 H THR 96 H THR 96 15.247 14.753 -16.373 574 HA THR 96 HA THR 96 13.434 13.934 -18.499 575 HB THR 96 HB THR 96 11.644 14.603 -16.971 576 HG1 THR 96 HG1 THR 96 13.258 15.395 -14.897 577 HG21 THR 96 1HG2 THR 96 12.226 13.217 -15.019 578 HG22 THR 96 2HG2 THR 96 12.780 12.454 -16.529 579 HG23 THR 96 3HG2 THR 96 13.944 13.289 -15.475 580 H ASN 97 H ASN 97 15.061 16.836 -17.629 581 HA ASN 97 HA ASN 97 13.054 18.583 -18.889 582 HB2 ASN 97 1HB ASN 97 15.735 19.095 -17.576 583 HB3 ASN 97 2HB ASN 97 14.815 20.359 -18.382 584 HD21 ASN 97 1HD2 ASN 97 14.093 20.079 -14.666 585 HD22 ASN 97 2HD2 ASN 97 15.576 20.023 -15.560 586 H ASN 98 H ASN 98 16.219 17.209 -19.615 587 HA ASN 98 HA ASN 98 16.120 18.555 -22.275 588 HB2 ASN 98 1HB ASN 98 18.397 17.243 -20.761 589 HB3 ASN 98 2HB ASN 98 18.520 17.774 -22.433 590 HD21 ASN 98 1HD2 ASN 98 19.129 20.355 -19.476 591 HD22 ASN 98 2HD2 ASN 98 19.064 18.634 -19.294 592 H ALA 99 H ALA 99 15.280 15.698 -20.806 593 HA ALA 99 HA ALA 99 14.722 13.626 -21.622 594 HB1 ALA 99 1HB ALA 99 13.933 13.531 -23.965 595 HB2 ALA 99 2HB ALA 99 13.301 14.960 -23.114 596 HB3 ALA 99 3HB ALA 99 14.648 15.132 -24.263 597 H THR 100 H THR 100 17.284 13.646 -21.076 598 HA THR 100 HA THR 100 18.453 11.962 -23.187 599 HB THR 100 HB THR 100 19.177 14.279 -23.802 600 HG1 THR 100 HG1 THR 100 21.433 12.911 -22.780 601 HG21 THR 100 1HG2 THR 100 20.775 15.442 -22.331 602 HG22 THR 100 2HG2 THR 100 19.200 15.243 -21.527 603 HG23 THR 100 3HG2 THR 100 20.560 14.182 -21.094 604 H CYS 101 H CYS 101 20.252 10.723 -22.500 605 HA CYS 101 HA CYS 101 20.202 10.293 -19.565 606 HB2 CYS 101 1HB CYS 101 21.348 8.572 -21.800 607 HB3 CYS 101 2HB CYS 101 21.311 8.137 -20.097 608 H GLU 102 H GLU 102 21.831 10.811 -18.276 609 HA GLU 102 HA GLU 102 24.493 11.343 -19.511 610 HB2 GLU 102 1HB GLU 102 23.015 13.131 -17.538 611 HB3 GLU 102 2HB GLU 102 24.708 13.323 -17.972 612 HG2 GLU 102 1HG GLU 102 24.024 13.661 -20.341 613 HG3 GLU 102 2HG GLU 102 22.338 13.566 -19.837 614 H MET 103 H MET 103 26.271 11.377 -17.970 615 HA MET 103 HA MET 103 25.798 9.361 -15.841 616 HB2 MET 103 1HB MET 103 27.566 8.880 -17.496 617 HB3 MET 103 2HB MET 103 28.378 10.385 -17.091 618 HG2 MET 103 1HG MET 103 28.786 9.561 -14.807 619 HG3 MET 103 2HG MET 103 27.952 8.055 -15.197 620 HE1 MET 103 1HE MET 103 30.323 6.220 -17.592 621 HE2 MET 103 2HE MET 103 28.949 6.089 -16.465 622 HE3 MET 103 3HE MET 103 28.807 7.090 -17.931 623 H PHE 104 H PHE 104 25.867 9.795 -13.759 624 HA PHE 104 HA PHE 104 27.026 12.423 -12.932 625 HB2 PHE 104 1HB PHE 104 24.508 11.065 -11.895 626 HB3 PHE 104 2HB PHE 104 25.262 12.456 -11.132 627 HD1 PHE 104 HD1 PHE 104 23.434 11.271 -14.097 628 HD2 PHE 104 HD2 PHE 104 25.071 14.657 -12.070 629 HE1 PHE 104 HE1 PHE 104 22.154 12.777 -15.583 630 HE2 PHE 104 HE2 PHE 104 23.790 16.166 -13.552 631 HZ PHE 104 HZ PHE 104 22.332 15.225 -15.310 632 H THR 105 H THR 105 27.654 12.523 -10.642 633 HA THR 105 HA THR 105 29.069 10.033 -9.932 634 HB THR 105 HB THR 105 29.212 12.824 -8.710 635 HG1 THR 105 HG1 THR 105 31.390 12.542 -9.806 636 HG21 THR 105 1HG2 THR 105 31.247 11.981 -7.606 637 HG22 THR 105 2HG2 THR 105 29.818 11.047 -7.104 638 HG23 THR 105 3HG2 THR 105 30.954 10.366 -8.290 639 H TYR 106 H TYR 106 27.878 8.582 -8.898 640 HA TYR 106 HA TYR 106 25.715 9.294 -7.123 641 HB2 TYR 106 1HB TYR 106 25.825 7.149 -8.405 642 HB3 TYR 106 2HB TYR 106 27.184 6.643 -7.411 643 HD1 TYR 106 HD1 TYR 106 23.873 8.239 -6.644 644 HD2 TYR 106 HD2 TYR 106 26.575 4.977 -5.958 645 HE1 TYR 106 HE1 TYR 106 22.307 7.290 -4.984 646 HE2 TYR 106 HE2 TYR 106 25.009 4.028 -4.299 647 HH TYR 106 HH TYR 106 21.885 5.583 -3.618 648 H GLY 107 H GLY 107 25.707 9.800 -5.057 649 HA2 GLY 107 1HA GLY 107 28.344 10.056 -3.751 650 HA3 GLY 107 2HA GLY 107 26.847 10.815 -3.241 651 H GLY 108 H GLY 108 25.607 7.970 -3.703 652 HA2 GLY 108 1HA GLY 108 25.706 5.840 -2.611 653 HA3 GLY 108 2HA GLY 108 26.830 6.494 -1.435 654 H ILE 109 H ILE 109 24.001 8.346 -2.306 655 HA ILE 109 HA ILE 109 22.845 7.719 0.378 656 HB ILE 109 HB ILE 109 22.689 10.337 -1.178 657 HG12 ILE 109 1HG1 ILE 109 24.937 9.922 -0.322 658 HG13 ILE 109 2HG1 ILE 109 24.155 11.250 0.522 659 HG21 ILE 109 1HG2 ILE 109 21.672 11.212 0.886 660 HG22 ILE 109 2HG2 ILE 109 20.693 9.895 0.200 661 HG23 ILE 109 3HG2 ILE 109 21.734 9.588 1.610 662 HD11 ILE 109 1HD1 ILE 109 25.384 9.831 2.067 663 HD12 ILE 109 2HD1 ILE 109 23.638 9.764 2.409 664 HD13 ILE 109 3HD1 ILE 109 24.432 8.419 1.555 665 H THR 110 H THR 110 21.528 6.052 -0.394 666 HA THR 110 HA THR 110 19.613 5.159 -1.340 667 HB THR 110 HB THR 110 17.576 6.421 -0.907 668 HG1 THR 110 HG1 THR 110 19.154 8.520 -1.458 669 HG21 THR 110 1HG2 THR 110 17.928 7.031 1.454 670 HG22 THR 110 2HG2 THR 110 18.771 5.515 1.057 671 HG23 THR 110 3HG2 THR 110 19.688 7.033 1.196 672 H GLY 111 H GLY 111 17.646 7.357 -2.496 673 HA2 GLY 111 1HA GLY 111 18.005 8.552 -4.750 674 HA3 GLY 111 2HA GLY 111 18.721 7.039 -5.273 675 H ASN 112 H ASN 112 16.789 7.688 -6.843 676 HA ASN 112 HA ASN 112 14.398 6.163 -5.897 677 HB2 ASN 112 1HB ASN 112 12.972 7.635 -7.195 678 HB3 ASN 112 2HB ASN 112 13.908 8.581 -6.045 679 HD21 ASN 112 1HD2 ASN 112 14.739 10.741 -8.619 680 HD22 ASN 112 2HD2 ASN 112 14.020 10.494 -7.063 681 H LYS 113 H LYS 113 12.999 6.127 -8.284 682 HA LYS 113 HA LYS 113 14.142 3.731 -9.317 683 HB2 LYS 113 1HB LYS 113 11.922 5.513 -10.390 684 HB3 LYS 113 2HB LYS 113 12.334 3.949 -11.079 685 HG2 LYS 113 1HG LYS 113 11.841 2.893 -8.865 686 HG3 LYS 113 2HG LYS 113 11.310 4.475 -8.276 687 HD2 LYS 113 1HD LYS 113 9.317 3.431 -8.966 688 HD3 LYS 113 2HD LYS 113 9.723 4.498 -10.318 689 HE2 LYS 113 1HE LYS 113 9.097 2.375 -11.246 690 HE3 LYS 113 2HE LYS 113 10.845 2.533 -11.436 691 HZ1 LYS 113 1HZ LYS 113 10.237 0.369 -10.638 692 HZ2 LYS 113 2HZ LYS 113 11.123 1.157 -9.490 693 HZ3 LYS 113 3HZ LYS 113 9.490 1.007 -9.313 694 H ASN 114 H ASN 114 14.325 7.077 -10.376 695 HA ASN 114 HA ASN 114 15.522 6.471 -12.942 696 HB2 ASN 114 1HB ASN 114 14.366 8.620 -12.386 697 HB3 ASN 114 2HB ASN 114 15.695 9.023 -11.308 698 HD21 ASN 114 1HD2 ASN 114 16.240 10.622 -14.614 699 HD22 ASN 114 2HD2 ASN 114 14.972 10.634 -13.434 700 H ASN 115 H ASN 115 17.119 4.939 -12.504 701 HA ASN 115 HA ASN 115 19.722 6.004 -11.905 702 HB2 ASN 115 1HB ASN 115 18.772 5.920 -9.598 703 HB3 ASN 115 2HB ASN 115 18.520 4.190 -9.788 704 HD21 ASN 115 1HD2 ASN 115 21.663 4.497 -7.995 705 HD22 ASN 115 2HD2 ASN 115 19.972 4.757 -7.728 706 H PHE 116 H PHE 116 20.758 5.001 -13.480 707 HA PHE 116 HA PHE 116 19.968 2.169 -14.028 708 HB2 PHE 116 1HB PHE 116 20.845 4.270 -16.048 709 HB3 PHE 116 2HB PHE 116 20.322 2.631 -16.406 710 HD1 PHE 116 HD1 PHE 116 19.281 6.018 -15.658 711 HD2 PHE 116 HD2 PHE 116 17.948 1.979 -16.053 712 HE1 PHE 116 HE1 PHE 116 16.947 6.810 -15.858 713 HE2 PHE 116 HE2 PHE 116 15.613 2.767 -16.256 714 HZ PHE 116 HZ PHE 116 15.113 5.184 -16.156 715 H GLU 117 H GLU 117 21.542 0.762 -14.888 716 HA GLU 117 HA GLU 117 24.215 1.275 -13.816 717 HB2 GLU 117 1HB GLU 117 23.031 -1.090 -15.322 718 HB3 GLU 117 2HB GLU 117 24.677 -1.044 -14.707 719 HG2 GLU 117 1HG GLU 117 22.220 -0.733 -12.971 720 HG3 GLU 117 2HG GLU 117 23.028 -2.268 -13.280 721 H SER 118 H SER 118 22.614 1.418 -16.908 722 HA SER 118 HA SER 118 25.154 2.255 -18.172 723 HB2 SER 118 1HB SER 118 24.947 0.709 -20.012 724 HB3 SER 118 2HB SER 118 24.980 -0.205 -18.512 725 HG SER 118 HG SER 118 23.163 -0.963 -19.025 726 H GLU 119 H GLU 119 24.874 3.324 -20.211 727 HA GLU 119 HA GLU 119 22.638 5.041 -20.409 728 HB2 GLU 119 1HB GLU 119 24.822 5.442 -21.526 729 HB3 GLU 119 2HB GLU 119 24.508 4.106 -22.625 730 HG2 GLU 119 1HG GLU 119 22.568 5.292 -23.539 731 HG3 GLU 119 2HG GLU 119 22.839 6.622 -22.415 732 H GLU 120 H GLU 120 23.251 1.870 -21.873 733 HA GLU 120 HA GLU 120 21.046 1.765 -23.627 734 HB2 GLU 120 1HB GLU 120 22.833 0.054 -23.553 735 HB3 GLU 120 2HB GLU 120 22.274 -0.481 -21.975 736 HG2 GLU 120 1HG GLU 120 20.137 -1.185 -22.954 737 HG3 GLU 120 2HG GLU 120 20.668 -0.618 -24.537 738 H GLU 121 H GLU 121 21.230 0.714 -20.209 739 HA GLU 121 HA GLU 121 18.527 -0.089 -19.970 740 HB2 GLU 121 1HB GLU 121 20.500 0.999 -17.931 741 HB3 GLU 121 2HB GLU 121 18.894 0.439 -17.486 742 HG2 GLU 121 1HG GLU 121 19.422 -1.792 -18.389 743 HG3 GLU 121 2HG GLU 121 21.033 -1.229 -18.828 744 H CYS 122 H CYS 122 20.046 3.087 -19.410 745 HA CYS 122 HA CYS 122 17.786 4.460 -18.447 746 HB2 CYS 122 1HB CYS 122 20.051 5.433 -18.485 747 HB3 CYS 122 2HB CYS 122 20.016 5.493 -20.241 748 H LYS 123 H LYS 123 18.937 4.216 -21.838 749 HA LYS 123 HA LYS 123 16.746 5.800 -22.832 750 HB2 LYS 123 1HB LYS 123 18.792 4.017 -24.199 751 HB3 LYS 123 2HB LYS 123 17.569 4.914 -25.090 752 HG2 LYS 123 1HG LYS 123 18.459 7.032 -24.200 753 HG3 LYS 123 2HG LYS 123 19.682 6.135 -23.290 754 HD2 LYS 123 1HD LYS 123 20.663 5.280 -25.350 755 HD3 LYS 123 2HD LYS 123 19.372 6.016 -26.311 756 HE2 LYS 123 1HE LYS 123 20.102 8.254 -25.649 757 HE3 LYS 123 2HE LYS 123 21.326 7.570 -24.576 758 HZ1 LYS 123 1HZ LYS 123 22.261 8.251 -26.662 759 HZ2 LYS 123 2HZ LYS 123 22.395 6.615 -26.500 760 HZ3 LYS 123 3HZ LYS 123 21.252 7.255 -27.503 761 H GLU 124 H GLU 124 17.376 2.311 -22.653 762 HA GLU 124 HA GLU 124 15.134 1.591 -24.316 763 HB2 GLU 124 1HB GLU 124 16.800 0.002 -22.328 764 HB3 GLU 124 2HB GLU 124 15.535 -0.714 -23.317 765 HG2 GLU 124 1HG GLU 124 18.036 0.653 -24.333 766 HG3 GLU 124 2HG GLU 124 17.740 -1.083 -24.275 767 H THR 125 H THR 125 15.604 1.976 -20.828 768 HA THR 125 HA THR 125 13.039 1.033 -20.012 769 HB THR 125 HB THR 125 14.821 3.178 -18.781 770 HG1 THR 125 HG1 THR 125 15.840 1.204 -18.728 771 HG21 THR 125 1HG2 THR 125 13.528 2.772 -16.724 772 HG22 THR 125 2HG2 THR 125 12.479 3.387 -18.023 773 HG23 THR 125 3HG2 THR 125 12.461 1.657 -17.609 774 H CYS 126 H CYS 126 14.157 4.246 -21.062 775 HA CYS 126 HA CYS 126 11.648 5.565 -20.669 776 HB2 CYS 126 1HB CYS 126 13.958 6.171 -22.552 777 HB3 CYS 126 2HB CYS 126 12.579 7.236 -22.322 778 H LYS 127 H LYS 127 13.029 3.737 -23.372 779 HA LYS 127 HA LYS 127 10.902 4.221 -25.225 780 HB2 LYS 127 1HB LYS 127 12.830 1.893 -24.904 781 HB3 LYS 127 2HB LYS 127 11.676 2.008 -26.225 782 HG2 LYS 127 1HG LYS 127 12.722 4.094 -26.987 783 HG3 LYS 127 2HG LYS 127 13.861 4.026 -25.635 784 HD2 LYS 127 1HD LYS 127 14.647 1.792 -26.490 785 HD3 LYS 127 2HD LYS 127 13.608 2.021 -27.904 786 HE2 LYS 127 1HE LYS 127 14.830 4.069 -28.498 787 HE3 LYS 127 2HE LYS 127 15.837 3.909 -27.057 788 HZ1 LYS 127 1HZ LYS 127 16.938 3.070 -29.000 789 HZ2 LYS 127 2HZ LYS 127 16.667 1.837 -27.938 790 HZ3 LYS 127 3HZ LYS 127 15.727 1.987 -29.285 791 H GLY 128 H GLY 128 11.347 1.826 -22.646 792 HA2 GLY 128 1HA GLY 128 9.192 1.306 -21.444 793 HA3 GLY 128 2HA GLY 128 8.473 1.056 -23.024 794 H PHE 129 H PHE 129 11.751 0.067 -22.114 795 HA PHE 129 HA PHE 129 10.848 -2.781 -22.244 796 HB2 PHE 129 1HB PHE 129 13.473 -1.589 -23.222 797 HB3 PHE 129 2HB PHE 129 13.098 -3.305 -23.186 798 HD1 PHE 129 HD1 PHE 129 12.666 -0.177 -24.952 799 HD2 PHE 129 HD2 PHE 129 11.299 -4.213 -24.652 800 HE1 PHE 129 HE1 PHE 129 11.657 -0.001 -27.203 801 HE2 PHE 129 HE2 PHE 129 10.291 -4.042 -26.903 802 HZ PHE 129 HZ PHE 129 10.469 -1.934 -28.178 803 H SER 130 H SER 130 11.798 -4.260 -20.864 804 HA SER 130 HA SER 130 13.910 -3.491 -19.031 805 HB2 SER 130 1HB SER 130 12.052 -2.288 -17.981 806 HB3 SER 130 2HB SER 130 11.077 -3.750 -17.972 807 HG SER 130 HG SER 130 13.377 -3.123 -16.522
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