NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
550556 | 2lt5 | 17973 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 H1 ARG 1 18.120 -6.815 19.166 2 H2 ARG 1 H2 ARG 1 17.848 -5.197 19.183 3 H3 ARG 1 H3 ARG 1 16.683 -6.202 18.664 4 HA ARG 1 HA ARG 1 17.736 -5.099 16.786 5 HB2 ARG 1 HB2 ARG 1 20.270 -6.513 17.722 6 HB3 ARG 1 HB3 ARG 1 20.057 -5.593 16.231 7 HG2 ARG 1 HG2 ARG 1 19.563 -3.549 17.678 8 HG3 ARG 1 HG3 ARG 1 20.042 -4.509 19.085 9 HD2 ARG 1 HD2 ARG 1 22.254 -4.903 18.131 10 HD3 ARG 1 HD3 ARG 1 21.810 -4.083 16.637 11 HE ARG 1 HE ARG 1 22.421 -2.846 19.259 12 HH11 ARG 1 HH11 ARG 1 21.193 -2.133 16.050 13 HH12 ARG 1 HH12 ARG 1 21.925 -0.557 16.040 14 HH21 ARG 1 HH21 ARG 1 23.166 -0.768 19.232 15 HH22 ARG 1 HH22 ARG 1 22.943 0.213 17.815 16 HA PRO 2 HA PRO 2 16.412 -9.316 15.626 17 HB2 PRO 2 HB2 PRO 2 14.659 -8.694 13.606 18 HB3 PRO 2 HB3 PRO 2 14.256 -8.637 15.334 19 HG2 PRO 2 HG2 PRO 2 15.058 -6.341 13.531 20 HG3 PRO 2 HG3 PRO 2 13.727 -6.407 14.722 21 HD2 PRO 2 HD2 PRO 2 16.116 -5.229 15.289 22 HD3 PRO 2 HD3 PRO 2 15.191 -6.126 16.529 23 H CYS 3 H CYS 3 17.011 -6.850 13.097 24 HA CYS 3 HA CYS 3 18.942 -8.587 11.700 25 HB2 CYS 3 HB2 CYS 3 17.005 -7.283 9.861 26 HB3 CYS 3 HB3 CYS 3 17.797 -8.842 9.769 27 H LYS 4 H LYS 4 19.717 -7.179 9.626 28 HA LYS 4 HA LYS 4 20.545 -4.516 10.725 29 HB2 LYS 4 HB2 LYS 4 21.853 -6.226 8.594 30 HB3 LYS 4 HB3 LYS 4 22.499 -4.738 9.278 31 HG2 LYS 4 HG2 LYS 4 22.117 -7.409 10.712 32 HG3 LYS 4 HG3 LYS 4 23.637 -6.740 10.155 33 HD2 LYS 4 HD2 LYS 4 21.898 -5.500 12.339 34 HD3 LYS 4 HD3 LYS 4 23.299 -6.542 12.601 35 HE2 LYS 4 HE2 LYS 4 24.739 -4.914 11.374 36 HE3 LYS 4 HE3 LYS 4 23.349 -3.835 11.196 37 HZ1 LYS 4 HZ1 LYS 4 24.708 -3.231 13.119 38 HZ2 LYS 4 HZ2 LYS 4 24.514 -4.704 13.791 39 HZ3 LYS 4 HZ3 LYS 4 23.230 -3.701 13.629 40 H TYR 5 H TYR 5 19.892 -2.749 9.752 41 HA TYR 5 HA TYR 5 18.912 -2.809 6.940 42 HB2 TYR 5 HB2 TYR 5 17.500 -1.386 9.215 43 HB3 TYR 5 HB3 TYR 5 16.999 -1.428 7.539 44 HD1 TYR 5 HD1 TYR 5 17.232 -3.362 10.683 45 HD2 TYR 5 HD2 TYR 5 15.819 -3.426 6.600 46 HE1 TYR 5 HE1 TYR 5 15.658 -5.217 11.242 47 HE2 TYR 5 HE2 TYR 5 14.240 -5.235 7.182 48 HH TYR 5 HH TYR 5 13.662 -6.765 8.730 49 H LYS 6 H LYS 6 18.910 -0.786 5.880 50 HA LYS 6 HA LYS 6 20.910 1.195 6.893 51 HB2 LYS 6 HB2 LYS 6 21.247 1.850 4.589 52 HB3 LYS 6 HB3 LYS 6 21.513 0.130 4.802 53 HG2 LYS 6 HG2 LYS 6 18.740 0.556 4.032 54 HG3 LYS 6 HG3 LYS 6 19.763 1.480 2.950 55 HD2 LYS 6 HD2 LYS 6 20.114 -1.500 3.522 56 HD3 LYS 6 HD3 LYS 6 19.204 -0.832 2.167 57 HE2 LYS 6 HE2 LYS 6 21.316 0.384 1.447 58 HE3 LYS 6 HE3 LYS 6 22.188 -0.546 2.672 59 HZ1 LYS 6 HZ1 LYS 6 22.304 -1.681 0.549 60 HZ2 LYS 6 HZ2 LYS 6 20.687 -1.662 0.357 61 HZ3 LYS 6 HZ3 LYS 6 21.349 -2.589 1.522 62 H LEU 7 H LEU 7 20.602 3.396 6.574 63 HA LEU 7 HA LEU 7 17.964 4.240 7.497 64 HB2 LEU 7 HB2 LEU 7 20.486 4.896 8.239 65 HB3 LEU 7 HB3 LEU 7 20.234 6.173 7.076 66 HG LEU 7 HG LEU 7 19.719 7.013 9.229 67 HD11 LEU 7 HD11 LEU 7 18.093 7.699 7.464 68 HD12 LEU 7 HD12 LEU 7 17.434 7.749 9.107 69 HD13 LEU 7 HD13 LEU 7 16.990 6.416 8.028 70 HD21 LEU 7 HD21 LEU 7 17.783 4.701 9.668 71 HD22 LEU 7 HD22 LEU 7 18.125 6.036 10.786 72 HD23 LEU 7 HD23 LEU 7 19.395 4.868 10.395 73 H LYS 8 H LYS 8 16.392 4.660 6.140 74 HA LYS 8 HA LYS 8 16.843 6.604 3.953 75 HB2 LYS 8 HB2 LYS 8 16.639 4.285 3.030 76 HB3 LYS 8 HB3 LYS 8 15.084 4.116 3.828 77 HG2 LYS 8 HG2 LYS 8 14.681 4.632 1.507 78 HG3 LYS 8 HG3 LYS 8 14.189 6.016 2.467 79 HD2 LYS 8 HD2 LYS 8 15.324 6.898 0.570 80 HD3 LYS 8 HD3 LYS 8 16.392 7.116 1.945 81 HE2 LYS 8 HE2 LYS 8 17.769 6.402 0.153 82 HE3 LYS 8 HE3 LYS 8 17.640 5.022 1.241 83 HZ1 LYS 8 HZ1 LYS 8 15.952 4.090 -0.283 84 HZ2 LYS 8 HZ2 LYS 8 17.338 4.382 -1.092 85 HZ3 LYS 8 HZ3 LYS 8 16.073 5.392 -1.266 86 H LYS 9 H LYS 9 15.786 8.349 4.375 87 HA LYS 9 HA LYS 9 12.935 8.263 5.303 88 HB2 LYS 9 HB2 LYS 9 14.975 10.333 6.231 89 HB3 LYS 9 HB3 LYS 9 13.270 10.292 6.670 90 HG2 LYS 9 HG2 LYS 9 15.321 8.170 7.418 91 HG3 LYS 9 HG3 LYS 9 14.819 9.485 8.466 92 HD2 LYS 9 HD2 LYS 9 12.666 8.606 8.813 93 HD3 LYS 9 HD3 LYS 9 12.721 7.615 7.362 94 HE2 LYS 9 HE2 LYS 9 14.912 6.803 9.040 95 HE3 LYS 9 HE3 LYS 9 13.475 6.902 10.057 96 HZ1 LYS 9 HZ1 LYS 9 12.334 5.403 8.570 97 HZ2 LYS 9 HZ2 LYS 9 13.752 4.703 8.958 98 HZ3 LYS 9 HZ3 LYS 9 13.567 5.381 7.483 99 H SER 10 H SER 10 11.581 9.841 4.509 100 HA SER 10 HA SER 10 12.569 11.867 2.616 101 HB2 SER 10 HB2 SER 10 12.148 9.643 1.332 102 HB3 SER 10 HB3 SER 10 10.426 9.942 1.650 103 HG SER 10 HG SER 10 10.793 10.992 -0.231 104 H THR 11 H THR 11 10.573 13.080 1.689 105 HA THR 11 HA THR 11 8.226 13.012 3.450 106 HB THR 11 HB THR 11 9.460 15.726 2.942 107 HG1 THR 11 HG1 THR 11 9.806 13.942 5.106 108 HG21 THR 11 HG21 THR 11 7.012 15.488 3.424 109 HG22 THR 11 HG22 THR 11 7.869 16.336 4.732 110 HG23 THR 11 HG23 THR 11 7.414 14.621 4.921 111 H ASN 12 H ASN 12 6.700 12.556 2.033 112 HA ASN 12 HA ASN 12 6.056 14.209 -0.253 113 HB2 ASN 12 HB2 ASN 12 6.540 12.396 -1.998 114 HB3 ASN 12 HB3 ASN 12 7.908 13.241 -1.321 115 HD21 ASN 12 HD21 ASN 12 6.141 10.376 0.131 116 HD22 ASN 12 HD22 ASN 12 7.615 9.430 0.024 117 H LYS 13 H LYS 13 4.423 13.119 -1.681 118 HA LYS 13 HA LYS 13 2.197 11.927 -0.264 119 HB2 LYS 13 HB2 LYS 13 1.199 11.828 -2.567 120 HB3 LYS 13 HB3 LYS 13 1.715 13.396 -2.025 121 HG2 LYS 13 HG2 LYS 13 3.951 12.499 -3.474 122 HG3 LYS 13 HG3 LYS 13 2.581 11.801 -4.322 123 HD2 LYS 13 HD2 LYS 13 2.783 13.856 -5.379 124 HD3 LYS 13 HD3 LYS 13 1.543 14.194 -4.157 125 HE2 LYS 13 HE2 LYS 13 3.326 15.113 -2.647 126 HE3 LYS 13 HE3 LYS 13 4.526 14.800 -3.915 127 HZ1 LYS 13 HZ1 LYS 13 3.186 16.339 -5.349 128 HZ2 LYS 13 HZ2 LYS 13 3.860 17.074 -4.058 129 HZ3 LYS 13 HZ3 LYS 13 2.271 16.723 -4.030 130 H PHE 14 H PHE 14 1.068 10.029 -1.375 131 HA PHE 14 HA PHE 14 2.803 7.748 -2.049 132 HB2 PHE 14 HB2 PHE 14 1.642 6.329 -0.321 133 HB3 PHE 14 HB3 PHE 14 2.810 7.477 0.298 134 HD1 PHE 14 HD2 PHE 14 -0.905 6.997 -0.196 135 HD2 PHE 14 HD1 PHE 14 2.221 9.003 2.003 136 HE1 PHE 14 HE2 PHE 14 -2.599 8.022 1.296 137 HE2 PHE 14 HE1 PHE 14 0.509 9.976 3.519 138 HZ PHE 14 HZ PHE 14 -1.889 9.600 3.097 139 H CYS 15 H CYS 15 1.673 6.025 -2.943 140 HA CYS 15 HA CYS 15 -1.083 6.643 -3.963 141 HB2 CYS 15 HB2 CYS 15 0.770 6.588 -5.677 142 HB3 CYS 15 HB3 CYS 15 0.982 4.887 -5.330 143 H VAL 16 H VAL 16 -2.554 5.058 -4.098 144 HA VAL 16 HA VAL 16 -2.211 2.418 -2.787 145 HB VAL 16 HB VAL 16 -4.060 2.819 -1.188 146 HG11 VAL 16 HG11 VAL 16 -2.857 4.001 0.533 147 HG12 VAL 16 HG12 VAL 16 -1.843 2.824 -0.305 148 HG13 VAL 16 HG13 VAL 16 -1.657 4.565 -0.643 149 HG21 VAL 16 HG21 VAL 16 -3.598 5.793 -1.610 150 HG22 VAL 16 HG22 VAL 16 -4.945 4.899 -2.334 151 HG23 VAL 16 HG23 VAL 16 -4.798 5.001 -0.567 152 H THR 17 H THR 17 -4.551 1.350 -2.611 153 HA THR 17 HA THR 17 -6.212 2.058 -5.032 154 HB THR 17 HB THR 17 -5.822 -0.738 -3.924 155 HG1 THR 17 HG1 THR 17 -3.930 0.204 -4.953 156 HG21 THR 17 HG21 THR 17 -7.930 -0.427 -5.198 157 HG22 THR 17 HG22 THR 17 -6.785 -1.508 -6.003 158 HG23 THR 17 HG23 THR 17 -6.956 0.154 -6.578 159 H CYS 18 H CYS 18 -8.265 2.674 -4.539 160 HA CYS 18 HA CYS 18 -9.430 2.106 -1.891 161 HB2 CYS 18 HB2 CYS 18 -9.508 4.371 -3.076 162 HB3 CYS 18 HB3 CYS 18 -10.662 3.631 -4.174 163 H GLU 19 H GLU 19 -10.924 0.616 -1.555 164 HA GLU 19 HA GLU 19 -12.586 -0.408 -3.783 165 HB2 GLU 19 HB2 GLU 19 -10.539 -1.893 -3.420 166 HB3 GLU 19 HB3 GLU 19 -11.239 -2.332 -1.857 167 HG2 GLU 19 HG2 GLU 19 -13.302 -3.109 -3.011 168 HG3 GLU 19 HG3 GLU 19 -12.611 -2.646 -4.567 169 H ASN 20 H ASN 20 -14.529 0.117 -3.165 170 HA ASN 20 HA ASN 20 -16.388 0.600 -1.975 171 HB2 ASN 20 HB2 ASN 20 -15.418 -1.618 -0.143 172 HB3 ASN 20 HB3 ASN 20 -16.939 -0.767 0.063 173 HD21 ASN 20 HD21 ASN 20 -15.150 -2.589 -2.521 174 HD22 ASN 20 HD22 ASN 20 -16.639 -3.289 -3.148 175 H GLN 21 H GLN 21 -14.743 2.478 -1.887 176 HA GLN 21 HA GLN 21 -14.413 4.524 -0.991 177 HB2 GLN 21 HB2 GLN 21 -16.405 3.745 1.161 178 HB3 GLN 21 HB3 GLN 21 -15.931 5.364 0.652 179 HG2 GLN 21 HG2 GLN 21 -17.815 5.258 -0.596 180 HG3 GLN 21 HG3 GLN 21 -16.768 4.413 -1.736 181 HE21 GLN 21 HE21 GLN 21 -17.870 2.649 -2.569 182 HE22 GLN 21 HE22 GLN 21 -18.999 1.696 -1.603 183 H ALA 22 H ALA 22 -12.519 2.468 -0.110 184 HA ALA 22 HA ALA 22 -11.243 3.847 2.040 185 HB1 ALA 22 HB1 ALA 22 -12.357 1.048 2.547 186 HB2 ALA 22 HB2 ALA 22 -11.310 1.990 3.651 187 HB3 ALA 22 HB3 ALA 22 -12.948 2.541 3.307 188 HA PRO 23 HA PRO 23 -8.101 1.825 -0.411 189 HB2 PRO 23 HB2 PRO 23 -5.854 2.854 0.679 190 HB3 PRO 23 HB3 PRO 23 -7.061 3.805 -0.268 191 HG2 PRO 23 HG2 PRO 23 -6.900 3.567 2.751 192 HG3 PRO 23 HG3 PRO 23 -6.948 5.057 1.763 193 HD2 PRO 23 HD2 PRO 23 -9.195 3.943 2.858 194 HD3 PRO 23 HD3 PRO 23 -9.221 4.745 1.256 195 H VAL 24 H VAL 24 -7.963 -0.279 -0.278 196 HA VAL 24 HA VAL 24 -6.894 -1.625 2.155 197 HB VAL 24 HB VAL 24 -8.121 -3.554 1.655 198 HG11 VAL 24 HG11 VAL 24 -10.334 -2.859 1.943 199 HG12 VAL 24 HG12 VAL 24 -9.418 -1.433 2.473 200 HG13 VAL 24 HG13 VAL 24 -10.158 -1.443 0.884 201 HG21 VAL 24 HG21 VAL 24 -9.586 -3.842 -0.290 202 HG22 VAL 24 HG22 VAL 24 -8.992 -2.312 -0.994 203 HG23 VAL 24 HG23 VAL 24 -7.907 -3.706 -0.798 204 H HIS 25 H HIS 25 -5.352 -0.431 -0.300 205 HA HIS 25 HA HIS 25 -3.447 -2.675 -0.399 206 HB2 HIS 25 HB2 HIS 25 -5.261 -2.693 -2.438 207 HB3 HIS 25 HB3 HIS 25 -4.111 -1.546 -3.097 208 HD1 HIS 25 HD1 HIS 25 -1.471 -2.577 -3.467 209 HD2 HIS 25 HD2 HIS 25 -4.781 -5.141 -2.858 210 HE1 HIS 25 HE1 HIS 25 -0.855 -4.826 -4.508 211 HE2 HIS 25 HE2 HIS 25 -2.864 -6.398 -4.149 212 H PHE 26 H PHE 26 -1.374 -1.898 -0.513 213 HA PHE 26 HA PHE 26 -0.931 0.993 -0.908 214 HB2 PHE 26 HB2 PHE 26 0.267 -0.390 0.847 215 HB3 PHE 26 HB3 PHE 26 1.036 -1.288 -0.448 216 HD1 PHE 26 HD2 PHE 26 0.524 2.479 -0.277 217 HD2 PHE 26 HD1 PHE 26 3.314 -0.817 0.070 218 HE1 PHE 26 HE2 PHE 26 2.401 4.061 -0.211 219 HE2 PHE 26 HE1 PHE 26 5.184 0.798 0.146 220 HZ PHE 26 HZ PHE 26 4.730 3.237 0.009 221 H VAL 27 H VAL 27 0.269 1.868 -2.654 222 HA VAL 27 HA VAL 27 0.862 0.005 -4.954 223 HB VAL 27 HB VAL 27 -0.279 2.799 -5.127 224 HG11 VAL 27 HG11 VAL 27 -0.366 2.399 -7.573 225 HG12 VAL 27 HG12 VAL 27 1.286 2.467 -6.956 226 HG13 VAL 27 HG13 VAL 27 0.554 0.895 -7.343 227 HG21 VAL 27 HG21 VAL 27 -2.190 1.757 -6.186 228 HG22 VAL 27 HG22 VAL 27 -1.435 0.149 -6.058 229 HG23 VAL 27 HG23 VAL 27 -1.951 1.017 -4.597 230 H GLY 28 H GLY 28 1.869 3.185 -3.475 231 HA2 GLY 28 HA2 GLY 28 4.636 2.645 -3.861 232 HA3 GLY 28 HA3 GLY 28 4.045 3.543 -5.264 233 H VAL 29 H VAL 29 5.830 4.871 -4.332 234 HA VAL 29 HA VAL 29 4.861 6.876 -2.325 235 HB VAL 29 HB VAL 29 7.727 5.890 -2.675 236 HG11 VAL 29 HG11 VAL 29 6.417 7.771 -0.692 237 HG12 VAL 29 HG12 VAL 29 8.092 7.167 -0.565 238 HG13 VAL 29 HG13 VAL 29 7.637 8.205 -1.921 239 HG21 VAL 29 HG21 VAL 29 6.387 4.137 -1.576 240 HG22 VAL 29 HG22 VAL 29 7.453 4.918 -0.410 241 HG23 VAL 29 HG23 VAL 29 5.725 5.340 -0.441 242 H GLY 30 H GLY 30 4.774 8.915 -3.071 243 HA2 GLY 30 HA2 GLY 30 4.922 10.712 -4.493 244 HA3 GLY 30 HA3 GLY 30 6.545 10.163 -4.882 245 H SER 31 H SER 31 4.310 7.787 -5.758 246 HA SER 31 HA SER 31 3.439 8.614 -8.361 247 HB2 SER 31 HB2 SER 31 5.941 8.392 -8.737 248 HB3 SER 31 HB3 SER 31 5.794 6.676 -8.317 249 HG SER 31 HG SER 31 5.665 7.123 -10.604 250 H CYS 32 H CYS 32 2.496 6.742 -9.537 251 HA CYS 32 HA CYS 32 1.601 4.508 -7.773 252 HB2 CYS 32 HB2 CYS 32 0.328 5.708 -10.245 253 HB3 CYS 32 HB3 CYS 32 -0.285 4.318 -9.363 254 H GLY 33 H GLY 33 2.699 2.685 -8.133 255 HA2 GLY 33 HA2 GLY 33 4.110 2.111 -10.669 256 HA3 GLY 33 HA3 GLY 33 4.210 1.206 -9.161 257 H SER 34 H SER 34 3.064 1.023 -12.322 258 HA SER 34 HA SER 34 0.597 -0.145 -12.284 259 HB2 SER 34 HB2 SER 34 3.002 -0.734 -14.058 260 HB3 SER 34 HB3 SER 34 1.302 -1.021 -14.448 261 HG SER 34 HG SER 34 2.047 0.955 -15.334 262 H GLY 35 H GLY 35 -0.243 -2.100 -11.915 263 HA2 GLY 35 HA2 GLY 35 1.416 -4.198 -10.619 264 HA3 GLY 35 HA3 GLY 35 -0.313 -3.953 -10.446 265 H GLY 36 H GLY 36 0.773 -3.922 -13.697 266 HA2 GLY 36 HA2 GLY 36 -0.924 -6.116 -14.446 267 HA3 GLY 36 HA3 GLY 36 0.095 -5.163 -15.513 268 H SER 37 H SER 37 1.258 -7.169 -12.827 269 HA SER 37 HA SER 37 2.384 -9.233 -14.663 270 HB2 SER 37 HB2 SER 37 3.998 -7.669 -12.603 271 HB3 SER 37 HB3 SER 37 4.556 -9.139 -13.416 272 HG SER 37 HG SER 37 3.807 -6.710 -14.709 273 H GLY 38 H GLY 38 3.244 -11.120 -13.432 274 HA2 GLY 38 HA2 GLY 38 1.279 -12.109 -11.563 275 HA3 GLY 38 HA3 GLY 38 2.689 -12.962 -12.178 276 H ILE 39 H ILE 39 3.329 -9.978 -10.575 277 HA ILE 39 HA ILE 39 5.084 -11.187 -8.641 278 HB ILE 39 HB ILE 39 4.014 -8.353 -8.806 279 HG12 ILE 39 HG12 ILE 39 6.696 -9.418 -9.820 280 HG13 ILE 39 HG13 ILE 39 5.296 -9.220 -10.863 281 HG21 ILE 39 HG21 ILE 39 6.418 -9.460 -7.283 282 HG22 ILE 39 HG22 ILE 39 6.057 -7.736 -7.486 283 HG23 ILE 39 HG23 ILE 39 4.942 -8.731 -6.584 284 HD11 ILE 39 HD11 ILE 39 6.766 -6.976 -9.448 285 HD12 ILE 39 HD12 ILE 39 6.687 -7.318 -11.181 286 HD13 ILE 39 HD13 ILE 39 5.227 -6.783 -10.325 287 H PHE 40 H PHE 40 4.852 -11.584 -6.566 288 HA PHE 40 HA PHE 40 2.347 -10.947 -5.072 289 HB2 PHE 40 HB2 PHE 40 2.463 -13.298 -6.268 290 HB3 PHE 40 HB3 PHE 40 3.493 -13.733 -4.917 291 HD1 PHE 40 HD1 PHE 40 0.119 -12.557 -5.952 292 HD2 PHE 40 HD2 PHE 40 2.492 -14.067 -2.683 293 HE1 PHE 40 HE1 PHE 40 -1.949 -12.927 -4.623 294 HE2 PHE 40 HE2 PHE 40 0.420 -14.435 -1.355 295 HZ PHE 40 HZ PHE 40 -1.800 -13.861 -2.322 296 H LEU 41 H LEU 41 5.275 -10.049 -4.949 297 HA LEU 41 HA LEU 41 6.297 -11.075 -2.394 298 HB2 LEU 41 HB2 LEU 41 7.151 -8.780 -4.218 299 HB3 LEU 41 HB3 LEU 41 8.035 -9.270 -2.778 300 HG LEU 41 HG LEU 41 7.550 -11.115 -5.162 301 HD11 LEU 41 HD11 LEU 41 8.934 -9.188 -5.809 302 HD12 LEU 41 HD12 LEU 41 9.897 -10.672 -5.742 303 HD13 LEU 41 HD13 LEU 41 10.012 -9.482 -4.425 304 HD21 LEU 41 HD21 LEU 41 9.438 -11.322 -2.771 305 HD22 LEU 41 HD22 LEU 41 9.394 -12.435 -4.156 306 HD23 LEU 41 HD23 LEU 41 8.008 -12.338 -3.066 307 H GLU 42 H GLU 42 4.110 -8.650 -3.356 308 HA GLU 42 HA GLU 42 4.366 -6.865 -1.073 309 HB2 GLU 42 HB2 GLU 42 3.187 -6.771 -3.625 310 HB3 GLU 42 HB3 GLU 42 1.794 -6.840 -2.551 311 HG2 GLU 42 HG2 GLU 42 2.589 -4.876 -1.342 312 HG3 GLU 42 HG3 GLU 42 4.141 -4.935 -2.211 313 H THR 43 H THR 43 2.342 -6.389 0.243 314 HA THR 43 HA THR 43 1.641 -8.794 1.767 315 HB THR 43 HB THR 43 0.663 -5.935 2.082 316 HG1 THR 43 HG1 THR 43 2.920 -6.259 2.388 317 HG21 THR 43 HG21 THR 43 -0.856 -7.454 3.264 318 HG22 THR 43 HG22 THR 43 0.185 -6.632 4.432 319 HG23 THR 43 HG23 THR 43 0.522 -8.317 3.985 320 H SER 44 H SER 44 0.074 -7.003 -0.756 321 HA SER 44 HA SER 44 -2.029 -6.930 -1.632 322 HB2 SER 44 HB2 SER 44 -2.789 -9.061 -2.554 323 HB3 SER 44 HB3 SER 44 -1.066 -8.765 -2.793 324 HG SER 44 HG SER 44 -2.156 -10.390 -0.727 325 H LEU 45 H LEU 45 -2.684 -6.020 0.527 326 HA LEU 45 HA LEU 45 -4.457 -7.471 2.256 327 HB2 LEU 45 HB2 LEU 45 -4.057 -4.495 1.769 328 HB3 LEU 45 HB3 LEU 45 -5.182 -5.110 2.950 329 HG LEU 45 HG LEU 45 -2.820 -6.489 3.579 330 HD11 LEU 45 HD11 LEU 45 -2.159 -3.582 2.892 331 HD12 LEU 45 HD12 LEU 45 -1.541 -5.001 2.025 332 HD13 LEU 45 HD13 LEU 45 -1.086 -4.721 3.713 333 HD21 LEU 45 HD21 LEU 45 -4.270 -5.572 5.256 334 HD22 LEU 45 HD22 LEU 45 -3.981 -3.927 4.683 335 HD23 LEU 45 HD23 LEU 45 -2.677 -4.847 5.483 336 H SER 46 H SER 46 -5.087 -6.754 -0.901 337 HA SER 46 HA SER 46 -7.862 -5.950 -0.918 338 HB2 SER 46 HB2 SER 46 -7.824 -7.159 -3.206 339 HB3 SER 46 HB3 SER 46 -6.827 -5.720 -2.991 340 HG SER 46 HG SER 46 -5.795 -7.657 -3.977 341 H ALA 47 H ALA 47 -6.338 -9.141 -0.790 342 HA ALA 47 HA ALA 47 -9.027 -10.411 -0.400 343 HB1 ALA 47 HB1 ALA 47 -6.551 -11.577 -1.710 344 HB2 ALA 47 HB2 ALA 47 -8.102 -12.407 -1.440 345 HB3 ALA 47 HB3 ALA 47 -8.025 -11.012 -2.535 346 H GLY 48 H GLY 48 -9.347 -10.812 1.620 347 HA2 GLY 48 HA2 GLY 48 -9.091 -12.114 3.586 348 HA3 GLY 48 HA3 GLY 48 -7.374 -12.302 3.270 349 H SER 49 H SER 49 -8.023 -8.994 2.902 350 HA SER 49 HA SER 49 -7.944 -8.340 5.784 351 HB2 SER 49 HB2 SER 49 -5.980 -7.103 3.845 352 HB3 SER 49 HB3 SER 49 -6.098 -6.837 5.574 353 HG SER 49 HG SER 49 -5.584 -9.144 5.798 354 H ASP 50 H ASP 50 -7.578 -5.563 5.517 355 HA ASP 50 HA ASP 50 -9.642 -4.488 3.810 356 HB2 ASP 50 HB2 ASP 50 -10.643 -5.695 6.019 357 HB3 ASP 50 HB3 ASP 50 -10.142 -4.195 6.779 358 H TRP 51 H TRP 51 -9.950 -2.173 4.503 359 HA TRP 51 HA TRP 51 -7.547 -0.591 4.757 360 HB2 TRP 51 HB2 TRP 51 -9.203 0.618 3.793 361 HB3 TRP 51 HB3 TRP 51 -10.483 -0.155 4.686 362 HD1 TRP 51 HD1 TRP 51 -11.514 1.133 6.621 363 HE1 TRP 51 HE1 TRP 51 -11.016 3.338 7.858 364 HE3 TRP 51 HE3 TRP 51 -6.923 2.162 4.627 365 HZ2 TRP 51 HZ2 TRP 51 -8.918 5.310 7.926 366 HZ3 TRP 51 HZ3 TRP 51 -5.687 4.215 5.291 367 HH2 TRP 51 HH2 TRP 51 -6.679 5.805 6.913 368 H LEU 52 H LEU 52 -9.910 -1.826 7.046 369 HA LEU 52 HA LEU 52 -9.206 -0.430 9.383 370 HB2 LEU 52 HB2 LEU 52 -11.080 -2.352 8.601 371 HB3 LEU 52 HB3 LEU 52 -10.086 -3.242 9.724 372 HG LEU 52 HG LEU 52 -12.035 -2.330 10.814 373 HD11 LEU 52 HD11 LEU 52 -11.099 -1.148 12.688 374 HD12 LEU 52 HD12 LEU 52 -9.674 -0.667 11.748 375 HD13 LEU 52 HD13 LEU 52 -9.951 -2.388 12.152 376 HD21 LEU 52 HD21 LEU 52 -11.102 0.468 10.050 377 HD22 LEU 52 HD22 LEU 52 -12.526 0.035 11.011 378 HD23 LEU 52 HD23 LEU 52 -12.449 -0.416 9.301 379 H THR 53 H THR 53 -7.580 -3.201 7.925 380 HA THR 53 HA THR 53 -5.611 -3.288 10.167 381 HB THR 53 HB THR 53 -4.881 -5.421 9.070 382 HG1 THR 53 HG1 THR 53 -6.495 -6.398 7.769 383 HG21 THR 53 HG21 THR 53 -7.785 -5.334 9.997 384 HG22 THR 53 HG22 THR 53 -6.363 -5.386 11.065 385 HG23 THR 53 HG23 THR 53 -6.716 -6.753 9.995 386 H PHE 54 H PHE 54 -5.867 -2.500 6.754 387 HA PHE 54 HA PHE 54 -3.199 -2.321 5.906 388 HB2 PHE 54 HB2 PHE 54 -5.094 -1.856 4.437 389 HB3 PHE 54 HB3 PHE 54 -5.591 -0.522 5.461 390 HD1 PHE 54 HD2 PHE 54 -4.605 1.662 5.383 391 HD2 PHE 54 HD1 PHE 54 -3.207 -1.524 2.842 392 HE1 PHE 54 HE2 PHE 54 -3.357 3.309 4.005 393 HE2 PHE 54 HE1 PHE 54 -1.927 0.137 1.498 394 HZ PHE 54 HZ PHE 54 -1.990 2.545 2.094 395 H GLN 55 H GLN 55 -4.966 0.002 7.885 396 HA GLN 55 HA GLN 55 -2.965 1.994 8.226 397 HB2 GLN 55 HB2 GLN 55 -5.168 1.004 10.074 398 HB3 GLN 55 HB3 GLN 55 -4.183 2.432 10.420 399 HG2 GLN 55 HG2 GLN 55 -5.065 3.656 8.604 400 HG3 GLN 55 HG3 GLN 55 -5.661 2.208 7.783 401 HE21 GLN 55 HE21 GLN 55 -7.579 1.214 8.432 402 HE22 GLN 55 HE22 GLN 55 -8.690 2.035 9.512 403 H LYS 56 H LYS 56 -3.760 -0.630 10.518 404 HA LYS 56 HA LYS 56 -1.384 -0.253 12.131 405 HB2 LYS 56 HB2 LYS 56 -2.918 -2.875 11.857 406 HB3 LYS 56 HB3 LYS 56 -1.725 -2.479 13.074 407 HG2 LYS 56 HG2 LYS 56 -3.414 -1.856 14.373 408 HG3 LYS 56 HG3 LYS 56 -3.440 -0.363 13.429 409 HD2 LYS 56 HD2 LYS 56 -5.147 -1.406 11.913 410 HD3 LYS 56 HD3 LYS 56 -5.101 -2.877 12.911 411 HE2 LYS 56 HE2 LYS 56 -5.767 -1.470 14.902 412 HE3 LYS 56 HE3 LYS 56 -5.933 -0.085 13.813 413 HZ1 LYS 56 HZ1 LYS 56 -8.075 -1.107 14.066 414 HZ2 LYS 56 HZ2 LYS 56 -7.506 -2.600 13.720 415 HZ3 LYS 56 HZ3 LYS 56 -7.562 -1.470 12.540 416 H LYS 57 H LYS 57 -1.743 -2.038 9.172 417 HA LYS 57 HA LYS 57 0.543 -3.704 9.360 418 HB2 LYS 57 HB2 LYS 57 -1.419 -3.749 7.638 419 HB3 LYS 57 HB3 LYS 57 -0.469 -2.591 6.720 420 HG2 LYS 57 HG2 LYS 57 0.149 -4.674 5.817 421 HG3 LYS 57 HG3 LYS 57 1.477 -4.302 6.910 422 HD2 LYS 57 HD2 LYS 57 -0.271 -5.684 8.592 423 HD3 LYS 57 HD3 LYS 57 -0.600 -6.446 7.034 424 HE2 LYS 57 HE2 LYS 57 1.855 -6.885 6.768 425 HE3 LYS 57 HE3 LYS 57 2.145 -6.115 8.334 426 HZ1 LYS 57 HZ1 LYS 57 0.738 -7.848 9.356 427 HZ2 LYS 57 HZ2 LYS 57 2.014 -8.515 8.586 428 HZ3 LYS 57 HZ3 LYS 57 0.531 -8.577 7.908 429 H HIS 58 H HIS 58 0.416 -0.506 7.669 430 HA HIS 58 HA HIS 58 3.308 -0.145 8.285 431 HB2 HIS 58 HB2 HIS 58 3.996 0.050 6.050 432 HB3 HIS 58 HB3 HIS 58 3.059 -1.433 6.105 433 HD1 HIS 58 HD1 HIS 58 3.274 1.808 4.370 434 HD2 HIS 58 HD2 HIS 58 0.287 -1.040 5.266 435 HE1 HIS 58 HE1 HIS 58 1.195 2.383 2.897 436 HE2 HIS 58 HE2 HIS 58 -0.610 0.644 3.491 437 H ILE 59 H ILE 59 0.771 1.283 9.046 438 HA ILE 59 HA ILE 59 1.751 4.030 8.386 439 HB ILE 59 HB ILE 59 -1.197 3.346 8.634 440 HG12 ILE 59 HG12 ILE 59 0.618 3.618 6.233 441 HG13 ILE 59 HG13 ILE 59 -0.614 2.414 6.563 442 HG21 ILE 59 HG21 ILE 59 -1.589 5.658 7.942 443 HG22 ILE 59 HG22 ILE 59 -0.637 5.644 9.393 444 HG23 ILE 59 HG23 ILE 59 0.158 5.943 7.828 445 HD11 ILE 59 HD11 ILE 59 -2.374 4.131 6.121 446 HD12 ILE 59 HD12 ILE 59 -1.089 5.304 5.716 447 HD13 ILE 59 HD13 ILE 59 -1.283 3.854 4.737 448 H THR 60 H THR 60 1.599 5.527 10.037 449 HA THR 60 HA THR 60 0.552 4.655 12.672 450 HB THR 60 HB THR 60 2.846 3.853 12.752 451 HG1 THR 60 HG1 THR 60 3.388 5.025 14.649 452 HG21 THR 60 HG21 THR 60 3.738 6.758 12.442 453 HG22 THR 60 HG22 THR 60 3.959 5.485 11.222 454 HG23 THR 60 HG23 THR 60 4.761 5.349 12.790 455 H ASN 61 H ASN 61 0.139 6.265 14.158 456 HA ASN 61 HA ASN 61 -0.093 9.036 13.169 457 HB2 ASN 61 HB2 ASN 61 -1.435 9.341 15.180 458 HB3 ASN 61 HB3 ASN 61 -2.043 7.997 14.232 459 HD21 ASN 61 HD21 ASN 61 -2.200 5.952 15.258 460 HD22 ASN 61 HD22 ASN 61 -1.614 5.705 16.897 461 H THR 62 H THR 62 2.314 7.214 14.581 462 HA THR 62 HA THR 62 3.897 9.535 15.290 463 HB THR 62 HB THR 62 2.677 9.377 17.358 464 HG1 THR 62 HG1 THR 62 4.738 9.963 17.653 465 HG21 THR 62 HG21 THR 62 2.076 6.918 17.301 466 HG22 THR 62 HG22 THR 62 2.635 7.552 18.859 467 HG23 THR 62 HG23 THR 62 3.725 6.577 17.868 468 H ARG 63 H ARG 63 5.679 8.997 14.092 469 HA ARG 63 HA ARG 63 6.650 6.259 13.847 470 HB2 ARG 63 HB2 ARG 63 7.095 7.918 12.069 471 HB3 ARG 63 HB3 ARG 63 8.088 8.860 13.202 472 HG2 ARG 63 HG2 ARG 63 9.581 6.800 13.457 473 HG3 ARG 63 HG3 ARG 63 8.553 5.977 12.278 474 HD2 ARG 63 HD2 ARG 63 10.479 6.771 11.136 475 HD3 ARG 63 HD3 ARG 63 9.099 7.757 10.632 476 HE ARG 63 HE ARG 63 10.077 9.637 11.609 477 HH11 ARG 63 HH11 ARG 63 11.935 6.880 12.776 478 HH12 ARG 63 HH12 ARG 63 13.204 7.905 13.366 479 HH21 ARG 63 HH21 ARG 63 11.720 10.853 12.419 480 HH22 ARG 63 HH22 ARG 63 13.082 10.085 13.173 481 H ASP 64 H ASP 64 7.206 5.266 15.619 482 HA ASP 64 HA ASP 64 9.387 6.391 17.337 483 HB2 ASP 64 HB2 ASP 64 7.161 5.829 18.396 484 HB3 ASP 64 HB3 ASP 64 7.451 4.141 17.978 485 H VAL 65 H VAL 65 9.250 4.658 14.666 486 HA VAL 65 HA VAL 65 10.634 2.187 15.335 487 HB VAL 65 HB VAL 65 10.063 3.550 12.672 488 HG11 VAL 65 HG11 VAL 65 11.989 2.076 12.367 489 HG12 VAL 65 HG12 VAL 65 11.153 0.755 13.238 490 HG13 VAL 65 HG13 VAL 65 10.567 1.334 11.669 491 HG21 VAL 65 HG21 VAL 65 8.347 1.785 12.450 492 HG22 VAL 65 HG22 VAL 65 8.765 1.155 14.056 493 HG23 VAL 65 HG23 VAL 65 8.034 2.764 13.881 494 H ASP 66 H ASP 66 12.696 1.759 15.377 495 HA ASP 66 HA ASP 66 14.746 3.693 14.351 496 HB2 ASP 66 HB2 ASP 66 14.421 3.563 16.878 497 HB3 ASP 66 HB3 ASP 66 15.001 1.905 16.787 498 H CYS 67 H CYS 67 13.445 0.866 13.559 499 HA CYS 67 HA CYS 67 13.985 -1.062 12.531 500 HB2 CYS 67 HB2 CYS 67 16.286 0.524 11.407 501 HB3 CYS 67 HB3 CYS 67 15.467 -0.859 10.673 502 H ASP 68 H ASP 68 14.982 -0.943 15.131 503 HA ASP 68 HA ASP 68 16.888 -3.192 15.187 504 HB2 ASP 68 HB2 ASP 68 17.374 -0.456 16.375 505 HB3 ASP 68 HB3 ASP 68 17.983 -1.876 17.203 506 H ASN 69 H ASN 69 14.270 -1.382 16.696 507 HA ASN 69 HA ASN 69 14.040 -3.361 18.889 508 HB2 ASN 69 HB2 ASN 69 12.775 -0.616 18.595 509 HB3 ASN 69 HB3 ASN 69 12.666 -1.684 19.992 510 HD21 ASN 69 HD21 ASN 69 14.654 0.613 18.323 511 HD22 ASN 69 HD22 ASN 69 16.005 0.559 19.435 512 H ILE 70 H ILE 70 12.742 -2.948 15.814 513 HA ILE 70 HA ILE 70 9.958 -3.431 16.236 514 HB ILE 70 HB ILE 70 9.849 -3.902 13.870 515 HG12 ILE 70 HG12 ILE 70 12.879 -4.138 14.026 516 HG13 ILE 70 HG13 ILE 70 11.702 -5.289 13.375 517 HG21 ILE 70 HG21 ILE 70 10.061 -1.584 14.830 518 HG22 ILE 70 HG22 ILE 70 11.783 -1.611 14.392 519 HG23 ILE 70 HG23 ILE 70 10.529 -1.723 13.135 520 HD11 ILE 70 HD11 ILE 70 12.518 -2.641 12.154 521 HD12 ILE 70 HD12 ILE 70 12.897 -4.265 11.559 522 HD13 ILE 70 HD13 ILE 70 11.215 -3.682 11.527 523 H MET 71 H MET 71 12.445 -5.468 16.853 524 HA MET 71 HA MET 71 11.248 -8.092 16.628 525 HB2 MET 71 HB2 MET 71 12.642 -8.694 18.567 526 HB3 MET 71 HB3 MET 71 13.555 -7.870 17.310 527 HG2 MET 71 HG2 MET 71 13.508 -5.775 18.573 528 HG3 MET 71 HG3 MET 71 12.533 -6.519 19.841 529 HE1 MET 71 HE1 MET 71 13.578 -9.101 20.782 530 HE2 MET 71 HE2 MET 71 14.939 -8.683 21.844 531 HE3 MET 71 HE3 MET 71 13.461 -7.701 21.874 532 H SER 72 H SER 72 10.514 -5.378 18.743 533 HA SER 72 HA SER 72 8.818 -6.934 20.574 534 HB2 SER 72 HB2 SER 72 10.304 -4.995 21.230 535 HB3 SER 72 HB3 SER 72 9.211 -3.926 20.339 536 HG SER 72 HG SER 72 8.605 -5.565 22.605 537 H THR 73 H THR 73 8.335 -5.022 17.652 538 HA THR 73 HA THR 73 5.432 -4.663 18.119 539 HB THR 73 HB THR 73 5.404 -3.318 16.143 540 HG1 THR 73 HG1 THR 73 7.361 -2.980 14.984 541 HG21 THR 73 HG21 THR 73 6.913 -1.510 16.694 542 HG22 THR 73 HG22 THR 73 7.955 -2.586 17.643 543 HG23 THR 73 HG23 THR 73 6.305 -2.221 18.199 544 H ASN 74 H ASN 74 4.164 -4.988 15.867 545 HA ASN 74 HA ASN 74 4.007 -7.818 15.393 546 HB2 ASN 74 HB2 ASN 74 2.846 -5.568 13.692 547 HB3 ASN 74 HB3 ASN 74 2.311 -7.241 13.746 548 HD21 ASN 74 HD21 ASN 74 1.801 -4.128 15.029 549 HD22 ASN 74 HD22 ASN 74 0.766 -4.638 16.357 550 H LEU 75 H LEU 75 6.114 -5.492 14.013 551 HA LEU 75 HA LEU 75 6.444 -6.812 11.404 552 HB2 LEU 75 HB2 LEU 75 7.631 -4.324 12.677 553 HB3 LEU 75 HB3 LEU 75 8.028 -4.870 11.074 554 HG LEU 75 HG LEU 75 6.542 -3.124 10.787 555 HD11 LEU 75 HD11 LEU 75 4.750 -4.063 9.495 556 HD12 LEU 75 HD12 LEU 75 4.858 -5.610 10.348 557 HD13 LEU 75 HD13 LEU 75 6.186 -5.077 9.289 558 HD21 LEU 75 HD21 LEU 75 4.351 -2.866 11.671 559 HD22 LEU 75 HD22 LEU 75 5.457 -3.124 13.033 560 HD23 LEU 75 HD23 LEU 75 4.401 -4.442 12.463 561 H PHE 76 H PHE 76 7.415 -8.120 13.965 562 HA PHE 76 HA PHE 76 10.278 -8.162 14.056 563 HB2 PHE 76 HB2 PHE 76 10.017 -9.876 15.655 564 HB3 PHE 76 HB3 PHE 76 8.722 -8.725 15.934 565 HD1 PHE 76 HD2 PHE 76 6.344 -9.353 15.340 566 HD2 PHE 76 HD1 PHE 76 9.594 -12.158 14.983 567 HE1 PHE 76 HE2 PHE 76 4.715 -11.219 15.227 568 HE2 PHE 76 HE1 PHE 76 7.963 -14.030 14.871 569 HZ PHE 76 HZ PHE 76 5.522 -13.564 15.000 570 H HIS 77 H HIS 77 8.254 -9.450 11.800 571 HA HIS 77 HA HIS 77 9.123 -12.081 11.257 572 HB2 HIS 77 HB2 HIS 77 7.876 -9.953 9.467 573 HB3 HIS 77 HB3 HIS 77 7.960 -11.670 9.051 574 HD1 HIS 77 HD1 HIS 77 6.753 -13.301 11.165 575 HD2 HIS 77 HD2 HIS 77 5.639 -9.260 10.594 576 HE1 HIS 77 HE1 HIS 77 4.490 -12.986 12.358 577 HE2 HIS 77 HE2 HIS 77 3.840 -10.508 12.025 578 H CYS 78 H CYS 78 11.139 -9.556 10.980 579 HA CYS 78 HA CYS 78 12.977 -8.945 9.737 580 HB2 CYS 78 HB2 CYS 78 13.569 -11.111 10.954 581 HB3 CYS 78 HB3 CYS 78 13.448 -11.906 9.387 582 H LYS 79 H LYS 79 10.981 -8.467 8.182 583 HA LYS 79 HA LYS 79 11.044 -9.571 5.512 584 HB2 LYS 79 HB2 LYS 79 9.947 -7.312 4.930 585 HB3 LYS 79 HB3 LYS 79 9.091 -8.445 5.950 586 HG2 LYS 79 HG2 LYS 79 8.933 -6.042 6.628 587 HG3 LYS 79 HG3 LYS 79 9.408 -7.190 7.891 588 HD2 LYS 79 HD2 LYS 79 11.650 -6.406 7.939 589 HD3 LYS 79 HD3 LYS 79 11.518 -5.647 6.352 590 HE2 LYS 79 HE2 LYS 79 11.691 -4.123 8.295 591 HE3 LYS 79 HE3 LYS 79 10.392 -3.817 7.134 592 HZ1 LYS 79 HZ1 LYS 79 8.817 -4.790 8.708 593 HZ2 LYS 79 HZ2 LYS 79 9.648 -3.611 9.468 594 HZ3 LYS 79 HZ3 LYS 79 10.025 -5.181 9.761 595 H ASP 80 H ASP 80 11.616 -8.221 3.625 596 HA ASP 80 HA ASP 80 14.481 -7.540 3.662 597 HB2 ASP 80 HB2 ASP 80 12.395 -7.454 1.443 598 HB3 ASP 80 HB3 ASP 80 14.111 -7.122 1.221 599 H LYS 81 H LYS 81 11.456 -5.774 3.557 600 HA LYS 81 HA LYS 81 12.635 -3.444 4.664 601 HB2 LYS 81 HB2 LYS 81 11.979 -1.800 2.886 602 HB3 LYS 81 HB3 LYS 81 13.303 -2.843 2.394 603 HG2 LYS 81 HG2 LYS 81 11.938 -4.161 0.991 604 HG3 LYS 81 HG3 LYS 81 10.437 -3.422 1.616 605 HD2 LYS 81 HD2 LYS 81 11.426 -1.172 0.752 606 HD3 LYS 81 HD3 LYS 81 12.539 -2.172 -0.186 607 HE2 LYS 81 HE2 LYS 81 9.494 -2.280 -0.313 608 HE3 LYS 81 HE3 LYS 81 10.529 -1.396 -1.436 609 HZ1 LYS 81 HZ1 LYS 81 10.561 -4.345 -1.067 610 HZ2 LYS 81 HZ2 LYS 81 11.544 -3.517 -2.082 611 HZ3 LYS 81 HZ3 LYS 81 9.936 -3.551 -2.347 612 H ASN 82 H ASN 82 10.977 -1.700 4.992 613 HA ASN 82 HA ASN 82 8.229 -2.324 4.240 614 HB2 ASN 82 HB2 ASN 82 8.429 -3.342 6.525 615 HB3 ASN 82 HB3 ASN 82 8.821 -1.735 7.174 616 HD21 ASN 82 HD21 ASN 82 6.960 -1.648 8.527 617 HD22 ASN 82 HD22 ASN 82 5.335 -1.757 7.892 618 H THR 83 H THR 83 6.831 -0.422 4.427 619 HA THR 83 HA THR 83 8.325 2.181 4.352 620 HB THR 83 HB THR 83 6.028 1.326 2.557 621 HG1 THR 83 HG1 THR 83 8.748 1.839 1.933 622 HG21 THR 83 HG21 THR 83 5.977 3.725 2.927 623 HG22 THR 83 HG22 THR 83 6.705 3.437 1.340 624 HG23 THR 83 HG23 THR 83 7.735 3.842 2.736 625 H PHE 84 H PHE 84 7.832 2.883 6.354 626 HA PHE 84 HA PHE 84 5.103 2.822 7.411 627 HB2 PHE 84 HB2 PHE 84 7.596 4.060 8.552 628 HB3 PHE 84 HB3 PHE 84 6.027 4.011 9.336 629 HD1 PHE 84 HD2 PHE 84 4.961 1.595 9.629 630 HD2 PHE 84 HD1 PHE 84 9.154 2.423 9.056 631 HE1 PHE 84 HE2 PHE 84 5.532 -0.566 10.720 632 HE2 PHE 84 HE1 PHE 84 9.715 0.171 9.988 633 HZ PHE 84 HZ PHE 84 7.913 -1.275 10.911 634 H ILE 85 H ILE 85 3.634 4.296 6.953 635 HA ILE 85 HA ILE 85 4.372 7.037 5.994 636 HB ILE 85 HB ILE 85 1.751 5.514 6.091 637 HG12 ILE 85 HG12 ILE 85 3.322 6.457 3.647 638 HG13 ILE 85 HG13 ILE 85 3.464 4.833 4.318 639 HG21 ILE 85 HG21 ILE 85 2.227 8.287 4.919 640 HG22 ILE 85 HG22 ILE 85 0.698 7.371 4.924 641 HG23 ILE 85 HG23 ILE 85 1.360 7.948 6.434 642 HD11 ILE 85 HD11 ILE 85 1.017 4.497 4.018 643 HD12 ILE 85 HD12 ILE 85 0.936 6.047 3.155 644 HD13 ILE 85 HD13 ILE 85 1.917 4.727 2.498 645 H TYR 86 H TYR 86 4.681 8.506 7.628 646 HA TYR 86 HA TYR 86 3.077 8.308 10.112 647 HB2 TYR 86 HB2 TYR 86 5.417 8.784 10.356 648 HB3 TYR 86 HB3 TYR 86 5.283 10.147 9.262 649 HD1 TYR 86 HD2 TYR 86 2.498 9.851 11.678 650 HD2 TYR 86 HD1 TYR 86 6.497 11.381 11.058 651 HE1 TYR 86 HE2 TYR 86 2.169 11.488 13.491 652 HE2 TYR 86 HE1 TYR 86 6.163 12.984 12.924 653 HH TYR 86 HH TYR 86 4.702 13.808 14.487 654 H SER 87 H SER 87 1.001 8.618 9.337 655 HA SER 87 HA SER 87 0.279 11.442 8.942 656 HB2 SER 87 HB2 SER 87 -1.111 11.114 7.024 657 HB3 SER 87 HB3 SER 87 0.469 10.434 6.629 658 HG SER 87 HG SER 87 -1.968 9.120 7.207 659 H ARG 88 H ARG 88 -2.161 11.695 9.016 660 HA ARG 88 HA ARG 88 -3.458 10.012 11.100 661 HB2 ARG 88 HB2 ARG 88 -4.421 12.476 9.555 662 HB3 ARG 88 HB3 ARG 88 -5.300 11.677 10.857 663 HG2 ARG 88 HG2 ARG 88 -3.179 12.096 12.317 664 HG3 ARG 88 HG3 ARG 88 -2.669 13.186 11.024 665 HD2 ARG 88 HD2 ARG 88 -3.716 14.557 12.596 666 HD3 ARG 88 HD3 ARG 88 -4.909 14.380 11.297 667 HE ARG 88 HE ARG 88 -5.299 12.362 13.334 668 HH11 ARG 88 HH11 ARG 88 -5.885 15.773 12.884 669 HH12 ARG 88 HH12 ARG 88 -7.177 15.801 14.054 670 HH21 ARG 88 HH21 ARG 88 -6.946 12.446 14.804 671 HH22 ARG 88 HH22 ARG 88 -7.750 13.955 15.113 672 HA PRO 89 HA PRO 89 -5.542 7.526 8.090 673 HB2 PRO 89 HB2 PRO 89 -8.046 7.070 9.127 674 HB3 PRO 89 HB3 PRO 89 -6.542 6.371 9.803 675 HG2 PRO 89 HG2 PRO 89 -8.021 8.859 10.716 676 HG3 PRO 89 HG3 PRO 89 -7.435 7.491 11.717 677 HD2 PRO 89 HD2 PRO 89 -6.000 9.765 11.487 678 HD3 PRO 89 HD3 PRO 89 -5.180 8.180 11.500 679 H GLU 90 H GLU 90 -7.049 10.610 8.866 680 HA GLU 90 HA GLU 90 -9.211 10.550 6.994 681 HB2 GLU 90 HB2 GLU 90 -7.740 12.867 8.291 682 HB3 GLU 90 HB3 GLU 90 -9.124 13.065 7.205 683 HG2 GLU 90 HG2 GLU 90 -10.496 11.640 8.710 684 HG3 GLU 90 HG3 GLU 90 -9.122 11.475 9.806 685 HA PRO 91 HA PRO 91 -6.532 12.724 3.693 686 HB2 PRO 91 HB2 PRO 91 -3.792 12.789 3.897 687 HB3 PRO 91 HB3 PRO 91 -4.852 14.052 4.584 688 HG2 PRO 91 HG2 PRO 91 -3.622 11.658 5.979 689 HG3 PRO 91 HG3 PRO 91 -3.638 13.367 6.527 690 HD2 PRO 91 HD2 PRO 91 -5.420 11.567 7.449 691 HD3 PRO 91 HD3 PRO 91 -5.922 13.237 7.135 692 H VAL 92 H VAL 92 -6.055 9.718 5.004 693 HA VAL 92 HA VAL 92 -4.859 8.499 2.533 694 HB VAL 92 HB VAL 92 -5.541 7.098 5.142 695 HG11 VAL 92 HG11 VAL 92 -3.851 5.474 4.342 696 HG12 VAL 92 HG12 VAL 92 -5.209 5.617 3.218 697 HG13 VAL 92 HG13 VAL 92 -3.661 6.405 2.845 698 HG21 VAL 92 HG21 VAL 92 -3.266 7.249 5.887 699 HG22 VAL 92 HG22 VAL 92 -2.776 8.128 4.437 700 HG23 VAL 92 HG23 VAL 92 -3.831 8.895 5.631 701 H LYS 93 H LYS 93 -7.623 8.046 4.757 702 HA LYS 93 HA LYS 93 -9.031 6.300 2.967 703 HB2 LYS 93 HB2 LYS 93 -9.342 6.848 5.600 704 HB3 LYS 93 HB3 LYS 93 -10.617 7.888 4.958 705 HG2 LYS 93 HG2 LYS 93 -11.135 5.632 3.531 706 HG3 LYS 93 HG3 LYS 93 -10.359 4.881 4.926 707 HD2 LYS 93 HD2 LYS 93 -12.828 6.692 5.008 708 HD3 LYS 93 HD3 LYS 93 -12.819 4.932 4.987 709 HE2 LYS 93 HE2 LYS 93 -13.134 5.303 7.197 710 HE3 LYS 93 HE3 LYS 93 -11.397 5.019 7.101 711 HZ1 LYS 93 HZ1 LYS 93 -11.943 6.916 8.515 712 HZ2 LYS 93 HZ2 LYS 93 -12.683 7.692 7.287 713 HZ3 LYS 93 HZ3 LYS 93 -11.062 7.433 7.243 714 H ALA 94 H ALA 94 -9.354 9.786 3.516 715 HA ALA 94 HA ALA 94 -11.740 10.054 1.904 716 HB1 ALA 94 HB1 ALA 94 -11.540 12.407 2.427 717 HB2 ALA 94 HB2 ALA 94 -11.184 11.458 3.885 718 HB3 ALA 94 HB3 ALA 94 -9.856 12.196 2.947 719 H ILE 95 H ILE 95 -8.538 9.718 0.878 720 HA ILE 95 HA ILE 95 -8.382 11.416 -1.376 721 HB ILE 95 HB ILE 95 -7.435 8.528 -1.257 722 HG12 ILE 95 HG12 ILE 95 -5.840 11.027 -0.521 723 HG13 ILE 95 HG13 ILE 95 -6.594 9.969 0.662 724 HG21 ILE 95 HG21 ILE 95 -5.793 9.229 -2.951 725 HG22 ILE 95 HG22 ILE 95 -7.399 9.591 -3.540 726 HG23 ILE 95 HG23 ILE 95 -6.397 10.899 -2.894 727 HD11 ILE 95 HD11 ILE 95 -4.377 9.149 -1.247 728 HD12 ILE 95 HD12 ILE 95 -4.278 9.383 0.498 729 HD13 ILE 95 HD13 ILE 95 -5.245 8.049 -0.143 730 H CYS 96 H CYS 96 -10.248 8.454 -0.874 731 HA CYS 96 HA CYS 96 -11.609 8.837 -3.509 732 HB2 CYS 96 HB2 CYS 96 -12.317 6.504 -3.285 733 HB3 CYS 96 HB3 CYS 96 -10.571 6.699 -3.442 734 H LYS 97 H LYS 97 -13.843 8.514 -3.594 735 HA LYS 97 HA LYS 97 -15.498 8.391 -1.189 736 HB2 LYS 97 HB2 LYS 97 -14.796 10.840 -1.424 737 HB3 LYS 97 HB3 LYS 97 -15.656 10.879 -2.953 738 HG2 LYS 97 HG2 LYS 97 -17.066 11.827 -1.291 739 HG3 LYS 97 HG3 LYS 97 -17.778 10.266 -1.703 740 HD2 LYS 97 HD2 LYS 97 -16.858 9.258 0.338 741 HD3 LYS 97 HD3 LYS 97 -15.966 10.731 0.725 742 HE2 LYS 97 HE2 LYS 97 -19.008 10.554 0.526 743 HE3 LYS 97 HE3 LYS 97 -18.104 10.336 2.026 744 HZ1 LYS 97 HZ1 LYS 97 -18.866 12.612 1.828 745 HZ2 LYS 97 HZ2 LYS 97 -18.104 12.824 0.403 746 HZ3 LYS 97 HZ3 LYS 97 -17.237 12.599 1.773 747 H GLY 98 H GLY 98 -16.832 6.817 -1.811 748 HA2 GLY 98 HA2 GLY 98 -18.690 5.891 -2.917 749 HA3 GLY 98 HA3 GLY 98 -18.557 7.099 -4.183 750 H ILE 99 H ILE 99 -15.516 5.745 -3.824 751 HA ILE 99 HA ILE 99 -15.698 4.354 -6.362 752 HB ILE 99 HB ILE 99 -13.378 4.722 -4.436 753 HG12 ILE 99 HG12 ILE 99 -14.209 6.091 -7.041 754 HG13 ILE 99 HG13 ILE 99 -14.206 6.804 -5.431 755 HG21 ILE 99 HG21 ILE 99 -11.951 3.969 -6.327 756 HG22 ILE 99 HG22 ILE 99 -12.979 2.680 -5.759 757 HG23 ILE 99 HG23 ILE 99 -13.395 3.554 -7.264 758 HD11 ILE 99 HD11 ILE 99 -11.810 6.122 -7.148 759 HD12 ILE 99 HD12 ILE 99 -12.316 7.692 -6.499 760 HD13 ILE 99 HD13 ILE 99 -11.664 6.457 -5.412 761 H ILE 100 H ILE 100 -16.389 2.429 -6.641 762 HA ILE 100 HA ILE 100 -15.847 0.212 -4.696 763 HB ILE 100 HB ILE 100 -17.897 0.113 -6.924 764 HG12 ILE 100 HG12 ILE 100 -18.291 1.184 -4.100 765 HG13 ILE 100 HG13 ILE 100 -18.533 2.069 -5.608 766 HG21 ILE 100 HG21 ILE 100 -17.803 -1.289 -4.226 767 HG22 ILE 100 HG22 ILE 100 -18.892 -1.652 -5.578 768 HG23 ILE 100 HG23 ILE 100 -17.189 -2.026 -5.724 769 HD11 ILE 100 HD11 ILE 100 -20.675 1.552 -4.747 770 HD12 ILE 100 HD12 ILE 100 -20.422 0.529 -6.177 771 HD13 ILE 100 HD13 ILE 100 -20.280 -0.156 -4.534 772 H ALA 101 H ALA 101 -14.860 1.499 -7.632 773 HA ALA 101 HA ALA 101 -14.557 -0.770 -9.310 774 HB1 ALA 101 HB1 ALA 101 -14.897 1.573 -10.044 775 HB2 ALA 101 HB2 ALA 101 -13.270 1.992 -9.452 776 HB3 ALA 101 HB3 ALA 101 -13.468 0.852 -10.798 777 H SER 102 H SER 102 -12.726 -0.440 -6.625 778 HA SER 102 HA SER 102 -10.626 -0.935 -5.916 779 HB2 SER 102 HB2 SER 102 -11.449 -3.114 -6.910 780 HB3 SER 102 HB3 SER 102 -10.343 -2.808 -8.255 781 HG SER 102 HG SER 102 -9.872 -3.636 -5.689 782 H LYS 103 H LYS 103 -10.221 1.372 -6.602 783 HA LYS 103 HA LYS 103 -7.665 1.665 -7.987 784 HB2 LYS 103 HB2 LYS 103 -9.134 1.651 -9.924 785 HB3 LYS 103 HB3 LYS 103 -10.183 2.881 -9.217 786 HG2 LYS 103 HG2 LYS 103 -8.504 4.576 -9.411 787 HG3 LYS 103 HG3 LYS 103 -7.231 3.404 -9.782 788 HD2 LYS 103 HD2 LYS 103 -9.632 3.884 -11.598 789 HD3 LYS 103 HD3 LYS 103 -8.123 4.805 -11.706 790 HE2 LYS 103 HE2 LYS 103 -6.851 2.674 -12.005 791 HE3 LYS 103 HE3 LYS 103 -8.377 1.780 -12.015 792 HZ1 LYS 103 HZ1 LYS 103 -7.618 3.887 -13.974 793 HZ2 LYS 103 HZ2 LYS 103 -9.027 3.058 -13.993 794 HZ3 LYS 103 HZ3 LYS 103 -7.618 2.284 -14.270 795 H ASN 104 H ASN 104 -6.653 3.698 -7.419 796 HA ASN 104 HA ASN 104 -8.367 5.765 -6.226 797 HB2 ASN 104 HB2 ASN 104 -6.861 4.198 -4.551 798 HB3 ASN 104 HB3 ASN 104 -5.693 5.452 -4.910 799 HD21 ASN 104 HD21 ASN 104 -6.886 4.936 -2.315 800 HD22 ASN 104 HD22 ASN 104 -7.655 6.444 -1.891 801 H VAL 105 H VAL 105 -6.489 7.674 -5.730 802 HA VAL 105 HA VAL 105 -4.755 7.932 -8.129 803 HB VAL 105 HB VAL 105 -6.750 9.361 -8.401 804 HG11 VAL 105 HG11 VAL 105 -7.270 9.886 -6.046 805 HG12 VAL 105 HG12 VAL 105 -5.797 10.875 -5.937 806 HG13 VAL 105 HG13 VAL 105 -7.112 11.345 -7.029 807 HG21 VAL 105 HG21 VAL 105 -4.245 11.019 -7.958 808 HG22 VAL 105 HG22 VAL 105 -4.580 10.015 -9.391 809 HG23 VAL 105 HG23 VAL 105 -5.620 11.395 -9.007 810 H LEU 106 H LEU 106 -2.735 8.819 -7.690 811 HA LEU 106 HA LEU 106 -1.532 8.724 -5.183 812 HB2 LEU 106 HB2 LEU 106 -0.359 8.966 -7.399 813 HB3 LEU 106 HB3 LEU 106 -0.944 10.609 -7.525 814 HG LEU 106 HG LEU 106 0.421 11.116 -5.399 815 HD11 LEU 106 HD11 LEU 106 2.068 9.606 -4.648 816 HD12 LEU 106 HD12 LEU 106 1.820 8.531 -6.059 817 HD13 LEU 106 HD13 LEU 106 0.589 8.661 -4.813 818 HD21 LEU 106 HD21 LEU 106 1.850 10.185 -7.910 819 HD22 LEU 106 HD22 LEU 106 2.557 11.218 -6.646 820 HD23 LEU 106 HD23 LEU 106 1.188 11.801 -7.602 821 H THR 107 H THR 107 -1.318 10.049 -3.470 822 HA THR 107 HA THR 107 -3.158 12.191 -2.914 823 HB THR 107 HB THR 107 -0.606 12.177 -1.393 824 HG1 THR 107 HG1 THR 107 -1.081 9.846 -1.716 825 HG21 THR 107 HG21 THR 107 -3.582 12.101 -0.716 826 HG22 THR 107 HG22 THR 107 -2.466 13.476 -0.504 827 HG23 THR 107 HG23 THR 107 -2.310 12.021 0.495 828 H THR 108 H THR 108 -2.240 14.411 -2.101 829 HA THR 108 HA THR 108 -0.377 15.550 -4.174 830 HB THR 108 HB THR 108 -2.726 16.210 -4.451 831 HG1 THR 108 HG1 THR 108 -1.190 17.580 -5.220 832 HG21 THR 108 HG21 THR 108 -2.383 17.770 -1.854 833 HG22 THR 108 HG22 THR 108 -3.451 16.364 -2.079 834 HG23 THR 108 HG23 THR 108 -3.747 17.857 -2.980 835 H SER 109 H SER 109 -0.971 15.339 -0.752 836 HA SER 109 HA SER 109 0.777 17.609 -0.045 837 HB2 SER 109 HB2 SER 109 -0.731 15.620 1.693 838 HB3 SER 109 HB3 SER 109 0.104 17.074 2.265 839 HG SER 109 HG SER 109 -2.134 17.452 1.965 840 H GLU 110 H GLU 110 2.404 17.244 1.771 841 HA GLU 110 HA GLU 110 4.069 14.862 1.090 842 HB2 GLU 110 HB2 GLU 110 5.070 17.541 2.034 843 HB3 GLU 110 HB3 GLU 110 6.005 16.164 1.427 844 HG2 GLU 110 HG2 GLU 110 4.710 16.386 -0.758 845 HG3 GLU 110 HG3 GLU 110 4.101 17.929 -0.162 846 H PHE 111 H PHE 111 3.854 13.364 2.539 847 HA PHE 111 HA PHE 111 3.554 13.964 5.435 848 HB2 PHE 111 HB2 PHE 111 3.259 11.282 4.053 849 HB3 PHE 111 HB3 PHE 111 2.627 11.770 5.616 850 HD1 PHE 111 HD2 PHE 111 2.213 11.958 1.967 851 HD2 PHE 111 HD1 PHE 111 0.495 13.061 5.758 852 HE1 PHE 111 HE2 PHE 111 0.117 12.581 0.820 853 HE2 PHE 111 HE1 PHE 111 -1.624 13.663 4.612 854 HZ PHE 111 HZ PHE 111 -1.810 13.418 2.118 855 H TYR 112 H TYR 112 4.776 12.557 6.970 856 HA TYR 112 HA TYR 112 7.591 12.354 6.208 857 HB2 TYR 112 HB2 TYR 112 6.041 12.309 8.702 858 HB3 TYR 112 HB3 TYR 112 7.301 11.084 8.666 859 HD1 TYR 112 HD2 TYR 112 6.761 14.746 8.053 860 HD2 TYR 112 HD1 TYR 112 9.526 11.613 9.116 861 HE1 TYR 112 HE2 TYR 112 8.498 16.459 8.578 862 HE2 TYR 112 HE1 TYR 112 11.264 13.332 9.653 863 HH TYR 112 HH TYR 112 10.635 16.839 9.300 864 H LEU 113 H LEU 113 8.176 10.850 4.879 865 HA LEU 113 HA LEU 113 7.054 8.096 5.078 866 HB2 LEU 113 HB2 LEU 113 8.117 9.743 2.876 867 HB3 LEU 113 HB3 LEU 113 8.788 8.124 2.896 868 HG LEU 113 HG LEU 113 6.809 8.284 1.493 869 HD11 LEU 113 HD11 LEU 113 7.389 6.151 2.547 870 HD12 LEU 113 HD12 LEU 113 5.660 6.310 2.201 871 HD13 LEU 113 HD13 LEU 113 6.242 6.486 3.865 872 HD21 LEU 113 HD21 LEU 113 5.146 8.746 3.993 873 HD22 LEU 113 HD22 LEU 113 4.578 8.594 2.318 874 HD23 LEU 113 HD23 LEU 113 5.551 9.995 2.800 875 H SER 114 H SER 114 8.010 6.564 6.041 876 HA SER 114 HA SER 114 10.924 6.691 6.684 877 HB2 SER 114 HB2 SER 114 9.594 7.274 8.608 878 HB3 SER 114 HB3 SER 114 8.597 5.841 8.411 879 HG SER 114 HG SER 114 10.101 5.251 9.898 880 H ASP 115 H ASP 115 11.529 5.453 4.954 881 HA ASP 115 HA ASP 115 10.668 2.625 4.792 882 HB2 ASP 115 HB2 ASP 115 12.761 4.267 3.333 883 HB3 ASP 115 HB3 ASP 115 12.522 2.540 3.075 884 H CYS 116 H CYS 116 12.214 0.900 5.058 885 HA CYS 116 HA CYS 116 14.914 1.461 5.986 886 HB2 CYS 116 HB2 CYS 116 12.857 0.493 7.867 887 HB3 CYS 116 HB3 CYS 116 14.221 -0.606 7.742 888 H ASN 117 H ASN 117 16.243 0.045 4.967 889 HA ASN 117 HA ASN 117 15.019 -2.310 3.559 890 HB2 ASN 117 HB2 ASN 117 16.953 -0.162 2.579 891 HB3 ASN 117 HB3 ASN 117 16.807 -1.731 1.794 892 HD21 ASN 117 HD21 ASN 117 14.851 1.175 2.680 893 HD22 ASN 117 HD22 ASN 117 13.752 0.930 1.323 894 H VAL 118 H VAL 118 16.105 -4.206 3.659 895 HA VAL 118 HA VAL 118 18.015 -4.585 5.759 896 HB VAL 118 HB VAL 118 17.017 -6.323 3.520 897 HG11 VAL 118 HG11 VAL 118 18.138 -8.290 4.539 898 HG12 VAL 118 HG12 VAL 118 19.307 -7.185 3.827 899 HG13 VAL 118 HG13 VAL 118 19.070 -7.213 5.597 900 HG21 VAL 118 HG21 VAL 118 16.078 -7.600 5.419 901 HG22 VAL 118 HG22 VAL 118 16.856 -6.484 6.559 902 HG23 VAL 118 HG23 VAL 118 15.582 -5.906 5.465 903 H THR 119 H THR 119 20.157 -5.081 5.853 904 HA THR 119 HA THR 119 21.824 -4.910 3.407 905 HB THR 119 HB THR 119 21.957 -2.678 4.096 906 HG1 THR 119 HG1 THR 119 23.886 -3.560 3.407 907 HG21 THR 119 HG21 THR 119 22.770 -1.859 6.204 908 HG22 THR 119 HG22 THR 119 22.907 -3.503 6.855 909 HG23 THR 119 HG23 THR 119 21.312 -2.826 6.459 910 H SER 120 H SER 120 22.224 -6.929 3.382 911 HA SER 120 HA SER 120 22.964 -8.667 5.578 912 HB2 SER 120 HB2 SER 120 21.908 -9.375 3.399 913 HB3 SER 120 HB3 SER 120 23.478 -9.103 2.612 914 HG SER 120 HG SER 120 23.194 -11.304 3.327 Start of MODEL 2 1 H1 ARG 1 H1 ARG 1 17.538 -5.179 19.082 2 H2 ARG 1 H2 ARG 1 16.505 -6.210 18.366 3 H3 ARG 1 H3 ARG 1 17.898 -6.781 19.015 4 HA ARG 1 HA ARG 1 17.756 -4.920 16.717 5 HB2 ARG 1 HB2 ARG 1 20.188 -6.383 17.816 6 HB3 ARG 1 HB3 ARG 1 20.141 -5.264 16.453 7 HG2 ARG 1 HG2 ARG 1 19.447 -3.429 18.045 8 HG3 ARG 1 HG3 ARG 1 19.596 -4.588 19.380 9 HD2 ARG 1 HD2 ARG 1 21.997 -4.971 18.646 10 HD3 ARG 1 HD3 ARG 1 21.811 -3.558 17.584 11 HE ARG 1 HE ARG 1 20.950 -2.720 20.116 12 HH11 ARG 1 HH11 ARG 1 23.988 -3.874 18.848 13 HH12 ARG 1 HH12 ARG 1 24.912 -3.113 20.117 14 HH21 ARG 1 HH21 ARG 1 22.156 -1.803 21.713 15 HH22 ARG 1 HH22 ARG 1 23.886 -1.963 21.692 16 HA PRO 2 HA PRO 2 16.490 -9.163 15.586 17 HB2 PRO 2 HB2 PRO 2 14.537 -8.653 13.741 18 HB3 PRO 2 HB3 PRO 2 14.302 -8.504 15.499 19 HG2 PRO 2 HG2 PRO 2 14.910 -6.289 13.520 20 HG3 PRO 2 HG3 PRO 2 13.662 -6.325 14.802 21 HD2 PRO 2 HD2 PRO 2 16.066 -5.093 15.169 22 HD3 PRO 2 HD3 PRO 2 15.238 -5.962 16.493 23 H CYS 3 H CYS 3 16.915 -6.680 13.083 24 HA CYS 3 HA CYS 3 18.719 -8.377 11.485 25 HB2 CYS 3 HB2 CYS 3 16.711 -6.987 9.814 26 HB3 CYS 3 HB3 CYS 3 17.404 -8.587 9.654 27 H LYS 4 H LYS 4 19.546 -6.946 9.549 28 HA LYS 4 HA LYS 4 20.287 -4.262 10.662 29 HB2 LYS 4 HB2 LYS 4 21.626 -5.881 8.475 30 HB3 LYS 4 HB3 LYS 4 22.241 -4.406 9.207 31 HG2 LYS 4 HG2 LYS 4 21.955 -7.144 10.518 32 HG3 LYS 4 HG3 LYS 4 23.447 -6.352 10.050 33 HD2 LYS 4 HD2 LYS 4 21.564 -5.392 12.255 34 HD3 LYS 4 HD3 LYS 4 23.054 -6.308 12.484 35 HE2 LYS 4 HE2 LYS 4 24.364 -4.476 11.438 36 HE3 LYS 4 HE3 LYS 4 22.884 -3.532 11.228 37 HZ1 LYS 4 HZ1 LYS 4 22.621 -3.527 13.654 38 HZ2 LYS 4 HZ2 LYS 4 24.070 -2.891 13.250 39 HZ3 LYS 4 HZ3 LYS 4 23.989 -4.406 13.846 40 H TYR 5 H TYR 5 19.645 -2.465 9.695 41 HA TYR 5 HA TYR 5 18.607 -2.525 6.902 42 HB2 TYR 5 HB2 TYR 5 17.301 -1.110 9.245 43 HB3 TYR 5 HB3 TYR 5 16.750 -1.072 7.583 44 HD1 TYR 5 HD1 TYR 5 16.989 -3.149 10.647 45 HD2 TYR 5 HD2 TYR 5 15.514 -2.994 6.588 46 HE1 TYR 5 HE1 TYR 5 15.393 -5.006 11.134 47 HE2 TYR 5 HE2 TYR 5 13.888 -4.766 7.112 48 HH TYR 5 HH TYR 5 13.344 -6.388 8.561 49 H LYS 6 H LYS 6 18.602 -0.482 5.830 50 HA LYS 6 HA LYS 6 20.653 1.460 6.831 51 HB2 LYS 6 HB2 LYS 6 20.944 2.198 4.563 52 HB3 LYS 6 HB3 LYS 6 21.242 0.479 4.700 53 HG2 LYS 6 HG2 LYS 6 18.449 1.117 3.907 54 HG3 LYS 6 HG3 LYS 6 19.640 1.776 2.800 55 HD2 LYS 6 HD2 LYS 6 19.530 -1.156 3.616 56 HD3 LYS 6 HD3 LYS 6 18.754 -0.480 2.185 57 HE2 LYS 6 HE2 LYS 6 21.025 0.310 1.403 58 HE3 LYS 6 HE3 LYS 6 21.735 -0.581 2.757 59 HZ1 LYS 6 HZ1 LYS 6 21.738 -2.024 0.869 60 HZ2 LYS 6 HZ2 LYS 6 20.180 -1.715 0.496 61 HZ3 LYS 6 HZ3 LYS 6 20.523 -2.591 1.825 62 H LEU 7 H LEU 7 20.364 3.664 6.640 63 HA LEU 7 HA LEU 7 17.722 4.629 7.415 64 HB2 LEU 7 HB2 LEU 7 20.534 5.630 7.423 65 HB3 LEU 7 HB3 LEU 7 19.346 6.862 7.092 66 HG LEU 7 HG LEU 7 19.928 6.757 9.450 67 HD11 LEU 7 HD11 LEU 7 17.028 5.918 9.047 68 HD12 LEU 7 HD12 LEU 7 17.678 7.551 8.753 69 HD13 LEU 7 HD13 LEU 7 17.708 6.862 10.383 70 HD21 LEU 7 HD21 LEU 7 18.604 4.015 9.526 71 HD22 LEU 7 HD22 LEU 7 19.237 4.936 10.903 72 HD23 LEU 7 HD23 LEU 7 20.349 4.329 9.664 73 H LYS 8 H LYS 8 16.199 5.199 6.152 74 HA LYS 8 HA LYS 8 16.703 6.892 3.777 75 HB2 LYS 8 HB2 LYS 8 16.531 4.555 2.969 76 HB3 LYS 8 HB3 LYS 8 14.985 4.377 3.773 77 HG2 LYS 8 HG2 LYS 8 14.575 4.746 1.442 78 HG3 LYS 8 HG3 LYS 8 14.065 6.218 2.276 79 HD2 LYS 8 HD2 LYS 8 16.158 7.349 1.612 80 HD3 LYS 8 HD3 LYS 8 16.745 5.846 0.862 81 HE2 LYS 8 HE2 LYS 8 14.795 5.874 -0.688 82 HE3 LYS 8 HE3 LYS 8 14.229 7.377 0.050 83 HZ1 LYS 8 HZ1 LYS 8 15.500 7.804 -1.977 84 HZ2 LYS 8 HZ2 LYS 8 16.816 7.050 -1.380 85 HZ3 LYS 8 HZ3 LYS 8 16.293 8.444 -0.703 86 H LYS 9 H LYS 9 15.688 8.678 4.171 87 HA LYS 9 HA LYS 9 12.874 8.727 5.211 88 HB2 LYS 9 HB2 LYS 9 15.089 10.656 6.045 89 HB3 LYS 9 HB3 LYS 9 13.410 10.726 6.571 90 HG2 LYS 9 HG2 LYS 9 15.342 8.451 7.206 91 HG3 LYS 9 HG3 LYS 9 14.997 9.798 8.277 92 HD2 LYS 9 HD2 LYS 9 12.802 9.097 8.734 93 HD3 LYS 9 HD3 LYS 9 12.701 8.102 7.286 94 HE2 LYS 9 HE2 LYS 9 14.910 7.137 8.869 95 HE3 LYS 9 HE3 LYS 9 13.524 7.333 9.941 96 HZ1 LYS 9 HZ1 LYS 9 13.412 5.806 7.373 97 HZ2 LYS 9 HZ2 LYS 9 12.224 5.914 8.505 98 HZ3 LYS 9 HZ3 LYS 9 13.604 5.122 8.840 99 H SER 10 H SER 10 11.554 10.336 4.449 100 HA SER 10 HA SER 10 12.487 12.342 2.515 101 HB2 SER 10 HB2 SER 10 12.276 10.217 1.190 102 HB3 SER 10 HB3 SER 10 10.562 10.148 1.631 103 HG SER 10 HG SER 10 11.092 11.169 -0.447 104 H THR 11 H THR 11 10.417 13.444 1.547 105 HA THR 11 HA THR 11 8.095 13.382 3.343 106 HB THR 11 HB THR 11 9.237 16.107 2.680 107 HG1 THR 11 HG1 THR 11 10.653 15.075 4.118 108 HG21 THR 11 HG21 THR 11 6.769 15.772 3.196 109 HG22 THR 11 HG22 THR 11 7.614 16.814 4.368 110 HG23 THR 11 HG23 THR 11 7.249 15.118 4.772 111 H ASN 12 H ASN 12 6.609 12.774 1.886 112 HA ASN 12 HA ASN 12 5.824 14.435 -0.270 113 HB2 ASN 12 HB2 ASN 12 6.383 13.282 -2.236 114 HB3 ASN 12 HB3 ASN 12 7.874 13.439 -1.361 115 HD21 ASN 12 HD21 ASN 12 8.089 11.251 0.259 116 HD22 ASN 12 HD22 ASN 12 7.955 9.828 -0.759 117 H LYS 13 H LYS 13 4.321 13.133 -1.830 118 HA LYS 13 HA LYS 13 2.042 12.051 -0.362 119 HB2 LYS 13 HB2 LYS 13 1.073 11.918 -2.680 120 HB3 LYS 13 HB3 LYS 13 1.571 13.490 -2.139 121 HG2 LYS 13 HG2 LYS 13 3.809 12.472 -3.598 122 HG3 LYS 13 HG3 LYS 13 2.374 11.946 -4.454 123 HD2 LYS 13 HD2 LYS 13 2.708 13.977 -5.458 124 HD3 LYS 13 HD3 LYS 13 1.579 14.443 -4.173 125 HE2 LYS 13 HE2 LYS 13 3.473 15.201 -2.767 126 HE3 LYS 13 HE3 LYS 13 4.620 14.656 -4.007 127 HZ1 LYS 13 HZ1 LYS 13 4.258 17.013 -4.221 128 HZ2 LYS 13 HZ2 LYS 13 2.637 16.844 -4.332 129 HZ3 LYS 13 HZ3 LYS 13 3.609 16.292 -5.531 130 H PHE 14 H PHE 14 0.871 10.132 -1.352 131 HA PHE 14 HA PHE 14 2.616 7.793 -1.909 132 HB2 PHE 14 HB2 PHE 14 1.455 6.511 -0.080 133 HB3 PHE 14 HB3 PHE 14 2.632 7.702 0.432 134 HD1 PHE 14 HD1 PHE 14 -1.070 7.127 0.096 135 HD2 PHE 14 HD2 PHE 14 2.065 9.425 1.962 136 HE1 PHE 14 HE1 PHE 14 -2.746 8.243 1.545 137 HE2 PHE 14 HE2 PHE 14 0.379 10.493 3.443 138 HZ PHE 14 HZ PHE 14 -2.024 10.004 3.163 139 H CYS 15 H CYS 15 1.687 6.183 -3.022 140 HA CYS 15 HA CYS 15 -1.126 6.603 -3.961 141 HB2 CYS 15 HB2 CYS 15 0.671 6.544 -5.694 142 HB3 CYS 15 HB3 CYS 15 0.995 4.872 -5.268 143 H VAL 16 H VAL 16 -2.559 5.030 -3.933 144 HA VAL 16 HA VAL 16 -2.148 2.420 -2.555 145 HB VAL 16 HB VAL 16 -4.027 2.911 -0.962 146 HG11 VAL 16 HG11 VAL 16 -1.747 2.885 -0.114 147 HG12 VAL 16 HG12 VAL 16 -1.528 4.597 -0.530 148 HG13 VAL 16 HG13 VAL 16 -2.708 4.126 0.703 149 HG21 VAL 16 HG21 VAL 16 -4.787 4.996 -2.202 150 HG22 VAL 16 HG22 VAL 16 -4.710 5.103 -0.426 151 HG23 VAL 16 HG23 VAL 16 -3.447 5.851 -1.430 152 H THR 17 H THR 17 -4.489 1.294 -2.330 153 HA THR 17 HA THR 17 -6.148 2.009 -4.746 154 HB THR 17 HB THR 17 -5.993 -0.774 -3.646 155 HG1 THR 17 HG1 THR 17 -4.284 0.326 -5.629 156 HG21 THR 17 HG21 THR 17 -6.554 -1.458 -5.878 157 HG22 THR 17 HG22 THR 17 -6.456 0.211 -6.456 158 HG23 THR 17 HG23 THR 17 -7.727 -0.272 -5.291 159 H CYS 18 H CYS 18 -8.213 2.662 -4.247 160 HA CYS 18 HA CYS 18 -9.366 1.992 -1.603 161 HB2 CYS 18 HB2 CYS 18 -9.893 4.131 -3.623 162 HB3 CYS 18 HB3 CYS 18 -11.268 3.464 -2.757 163 H GLU 19 H GLU 19 -10.867 0.572 -1.305 164 HA GLU 19 HA GLU 19 -12.484 -0.476 -3.560 165 HB2 GLU 19 HB2 GLU 19 -10.397 -1.883 -3.180 166 HB3 GLU 19 HB3 GLU 19 -11.051 -2.299 -1.590 167 HG2 GLU 19 HG2 GLU 19 -13.116 -3.166 -2.717 168 HG3 GLU 19 HG3 GLU 19 -12.391 -2.803 -4.285 169 H ASN 20 H ASN 20 -14.449 0.034 -2.938 170 HA ASN 20 HA ASN 20 -16.310 0.492 -1.752 171 HB2 ASN 20 HB2 ASN 20 -15.295 -1.652 0.141 172 HB3 ASN 20 HB3 ASN 20 -16.833 -0.826 0.319 173 HD21 ASN 20 HD21 ASN 20 -15.000 -2.699 -2.196 174 HD22 ASN 20 HD22 ASN 20 -16.472 -3.436 -2.816 175 H GLN 21 H GLN 21 -14.661 2.384 -1.736 176 HA GLN 21 HA GLN 21 -14.350 4.463 -0.918 177 HB2 GLN 21 HB2 GLN 21 -16.351 3.764 1.253 178 HB3 GLN 21 HB3 GLN 21 -15.891 5.362 0.673 179 HG2 GLN 21 HG2 GLN 21 -17.758 5.194 -0.584 180 HG3 GLN 21 HG3 GLN 21 -16.715 4.281 -1.673 181 HE21 GLN 21 HE21 GLN 21 -17.849 2.489 -2.409 182 HE22 GLN 21 HE22 GLN 21 -18.968 1.588 -1.382 183 H ALA 22 H ALA 22 -12.499 2.403 0.119 184 HA ALA 22 HA ALA 22 -11.258 3.896 2.245 185 HB1 ALA 22 HB1 ALA 22 -12.973 2.587 3.477 186 HB2 ALA 22 HB2 ALA 22 -12.338 1.090 2.760 187 HB3 ALA 22 HB3 ALA 22 -11.337 2.066 3.879 188 HA PRO 23 HA PRO 23 -8.019 1.923 -0.127 189 HB2 PRO 23 HB2 PRO 23 -5.835 3.063 0.955 190 HB3 PRO 23 HB3 PRO 23 -7.075 3.953 -0.010 191 HG2 PRO 23 HG2 PRO 23 -6.917 3.769 3.013 192 HG3 PRO 23 HG3 PRO 23 -7.019 5.239 2.000 193 HD2 PRO 23 HD2 PRO 23 -9.231 4.040 3.103 194 HD3 PRO 23 HD3 PRO 23 -9.275 4.843 1.504 195 H VAL 24 H VAL 24 -7.980 -0.198 0.143 196 HA VAL 24 HA VAL 24 -6.970 -1.412 2.662 197 HB VAL 24 HB VAL 24 -8.066 -3.422 2.068 198 HG11 VAL 24 HG11 VAL 24 -10.306 -2.832 2.268 199 HG12 VAL 24 HG12 VAL 24 -9.481 -1.387 2.875 200 HG13 VAL 24 HG13 VAL 24 -10.147 -1.380 1.251 201 HG21 VAL 24 HG21 VAL 24 -7.713 -3.512 -0.368 202 HG22 VAL 24 HG22 VAL 24 -9.414 -3.726 0.043 203 HG23 VAL 24 HG23 VAL 24 -8.844 -2.166 -0.603 204 H HIS 25 H HIS 25 -5.302 -0.233 0.252 205 HA HIS 25 HA HIS 25 -3.387 -2.489 0.143 206 HB2 HIS 25 HB2 HIS 25 -5.134 -2.837 -1.721 207 HB3 HIS 25 HB3 HIS 25 -4.620 -1.290 -2.334 208 HD1 HIS 25 HD1 HIS 25 -3.301 -1.698 -4.450 209 HD2 HIS 25 HD2 HIS 25 -2.382 -4.341 -1.275 210 HE1 HIS 25 HE1 HIS 25 -1.272 -3.133 -5.227 211 HE2 HIS 25 HE2 HIS 25 -0.706 -4.710 -3.269 212 H PHE 26 H PHE 26 -1.298 -1.857 -0.438 213 HA PHE 26 HA PHE 26 -0.800 1.060 -0.786 214 HB2 PHE 26 HB2 PHE 26 0.252 -0.023 1.186 215 HB3 PHE 26 HB3 PHE 26 1.004 -1.211 0.137 216 HD1 PHE 26 HD1 PHE 26 0.709 2.577 -0.012 217 HD2 PHE 26 HD2 PHE 26 3.330 -0.863 0.163 218 HE1 PHE 26 HE1 PHE 26 2.656 4.045 -0.301 219 HE2 PHE 26 HE2 PHE 26 5.280 0.622 -0.142 220 HZ PHE 26 HZ PHE 26 4.955 3.070 -0.393 221 H VAL 27 H VAL 27 0.148 1.850 -2.588 222 HA VAL 27 HA VAL 27 0.946 -0.093 -4.745 223 HB VAL 27 HB VAL 27 -0.092 2.734 -5.015 224 HG11 VAL 27 HG11 VAL 27 1.508 2.276 -6.794 225 HG12 VAL 27 HG12 VAL 27 0.719 0.722 -7.149 226 HG13 VAL 27 HG13 VAL 27 -0.133 2.253 -7.450 227 HG21 VAL 27 HG21 VAL 27 -2.029 1.746 -6.071 228 HG22 VAL 27 HG22 VAL 27 -1.354 0.108 -5.882 229 HG23 VAL 27 HG23 VAL 27 -1.855 1.047 -4.459 230 H GLY 28 H GLY 28 1.885 3.189 -3.446 231 HA2 GLY 28 HA2 GLY 28 4.683 2.648 -3.586 232 HA3 GLY 28 HA3 GLY 28 4.173 3.426 -5.090 233 H VAL 29 H VAL 29 5.864 4.898 -4.142 234 HA VAL 29 HA VAL 29 4.670 6.995 -2.361 235 HB VAL 29 HB VAL 29 7.645 6.422 -2.467 236 HG11 VAL 29 HG11 VAL 29 7.628 7.625 -0.365 237 HG12 VAL 29 HG12 VAL 29 6.847 8.584 -1.634 238 HG13 VAL 29 HG13 VAL 29 5.849 7.771 -0.419 239 HG21 VAL 29 HG21 VAL 29 5.618 5.283 -0.497 240 HG22 VAL 29 HG22 VAL 29 6.659 4.340 -1.598 241 HG23 VAL 29 HG23 VAL 29 7.385 5.257 -0.279 242 H GLY 30 H GLY 30 4.743 9.093 -3.134 243 HA2 GLY 30 HA2 GLY 30 4.828 10.744 -4.694 244 HA3 GLY 30 HA3 GLY 30 6.439 10.153 -5.043 245 H SER 31 H SER 31 4.183 7.747 -5.823 246 HA SER 31 HA SER 31 3.402 8.464 -8.505 247 HB2 SER 31 HB2 SER 31 5.901 8.152 -8.764 248 HB3 SER 31 HB3 SER 31 5.699 6.478 -8.221 249 HG SER 31 HG SER 31 5.684 6.735 -10.534 250 H CYS 32 H CYS 32 2.368 6.636 -9.590 251 HA CYS 32 HA CYS 32 1.448 4.410 -7.817 252 HB2 CYS 32 HB2 CYS 32 0.117 5.720 -10.204 253 HB3 CYS 32 HB3 CYS 32 -0.477 4.284 -9.387 254 H GLY 33 H GLY 33 2.676 2.657 -8.230 255 HA2 GLY 33 HA2 GLY 33 3.999 2.176 -10.795 256 HA3 GLY 33 HA3 GLY 33 4.116 1.199 -9.334 257 H SER 34 H SER 34 1.777 2.071 -11.857 258 HA SER 34 HA SER 34 0.225 -0.396 -11.729 259 HB2 SER 34 HB2 SER 34 -0.592 1.836 -12.582 260 HB3 SER 34 HB3 SER 34 0.402 1.584 -14.032 261 HG SER 34 HG SER 34 -1.782 0.869 -14.294 262 H GLY 35 H GLY 35 0.046 -1.977 -13.427 263 HA2 GLY 35 HA2 GLY 35 0.796 -3.578 -14.909 264 HA3 GLY 35 HA3 GLY 35 1.852 -2.344 -15.593 265 H GLY 36 H GLY 36 3.105 -4.357 -15.964 266 HA2 GLY 36 HA2 GLY 36 5.507 -4.585 -15.397 267 HA3 GLY 36 HA3 GLY 36 5.046 -4.916 -13.734 268 H SER 37 H SER 37 4.399 -6.963 -13.156 269 HA SER 37 HA SER 37 4.213 -9.157 -15.138 270 HB2 SER 37 HB2 SER 37 6.008 -10.427 -13.850 271 HB3 SER 37 HB3 SER 37 6.556 -9.103 -14.878 272 HG SER 37 HG SER 37 6.171 -8.930 -12.053 273 H GLY 38 H GLY 38 3.791 -11.276 -14.083 274 HA2 GLY 38 HA2 GLY 38 1.431 -10.995 -12.443 275 HA3 GLY 38 HA3 GLY 38 2.067 -12.476 -13.158 276 H ILE 39 H ILE 39 3.310 -10.217 -10.724 277 HA ILE 39 HA ILE 39 4.315 -12.350 -8.979 278 HB ILE 39 HB ILE 39 4.196 -9.333 -8.656 279 HG12 ILE 39 HG12 ILE 39 5.601 -10.085 -10.516 280 HG13 ILE 39 HG13 ILE 39 6.527 -9.311 -9.237 281 HG21 ILE 39 HG21 ILE 39 5.623 -11.362 -6.891 282 HG22 ILE 39 HG22 ILE 39 5.959 -9.620 -6.898 283 HG23 ILE 39 HG23 ILE 39 4.364 -10.184 -6.420 284 HD11 ILE 39 HD11 ILE 39 6.393 -12.318 -9.750 285 HD12 ILE 39 HD12 ILE 39 7.720 -11.233 -10.185 286 HD13 ILE 39 HD13 ILE 39 7.355 -11.522 -8.478 287 H PHE 40 H PHE 40 3.653 -12.905 -7.074 288 HA PHE 40 HA PHE 40 1.051 -11.955 -5.931 289 HB2 PHE 40 HB2 PHE 40 0.131 -14.111 -5.821 290 HB3 PHE 40 HB3 PHE 40 0.718 -13.912 -7.460 291 HD1 PHE 40 HD2 PHE 40 2.882 -15.085 -8.165 292 HD2 PHE 40 HD1 PHE 40 0.931 -15.872 -4.397 293 HE1 PHE 40 HE2 PHE 40 4.182 -17.188 -7.925 294 HE2 PHE 40 HE1 PHE 40 2.220 -17.979 -4.170 295 HZ PHE 40 HZ PHE 40 3.852 -18.637 -5.929 296 H LEU 41 H LEU 41 4.130 -12.091 -5.212 297 HA LEU 41 HA LEU 41 4.281 -13.552 -2.690 298 HB2 LEU 41 HB2 LEU 41 6.086 -11.508 -4.056 299 HB3 LEU 41 HB3 LEU 41 6.520 -12.359 -2.581 300 HG LEU 41 HG LEU 41 5.908 -13.796 -5.203 301 HD11 LEU 41 HD11 LEU 41 7.864 -12.334 -5.470 302 HD12 LEU 41 HD12 LEU 41 8.346 -14.037 -5.429 303 HD13 LEU 41 HD13 LEU 41 8.591 -13.012 -3.996 304 HD21 LEU 41 HD21 LEU 41 5.676 -15.226 -3.199 305 HD22 LEU 41 HD22 LEU 41 7.280 -14.708 -2.632 306 HD23 LEU 41 HD23 LEU 41 7.118 -15.668 -4.119 307 H GLU 42 H GLU 42 2.999 -10.540 -3.538 308 HA GLU 42 HA GLU 42 3.636 -8.952 -1.235 309 HB2 GLU 42 HB2 GLU 42 2.407 -8.550 -3.705 310 HB3 GLU 42 HB3 GLU 42 1.050 -8.402 -2.596 311 HG2 GLU 42 HG2 GLU 42 2.407 -6.716 -1.297 312 HG3 GLU 42 HG3 GLU 42 3.692 -6.893 -2.505 313 H THR 43 H THR 43 2.049 -8.107 0.285 314 HA THR 43 HA THR 43 0.628 -10.142 1.779 315 HB THR 43 HB THR 43 0.425 -7.118 2.024 316 HG1 THR 43 HG1 THR 43 2.019 -7.402 3.589 317 HG21 THR 43 HG21 THR 43 -1.373 -8.238 3.287 318 HG22 THR 43 HG22 THR 43 -0.147 -7.631 4.406 319 HG23 THR 43 HG23 THR 43 -0.195 -9.361 4.006 320 H SER 44 H SER 44 -0.385 -7.768 -0.614 321 HA SER 44 HA SER 44 -2.382 -7.212 -1.575 322 HB2 SER 44 HB2 SER 44 -1.665 -9.363 -2.594 323 HB3 SER 44 HB3 SER 44 -2.790 -10.217 -1.526 324 HG SER 44 HG SER 44 -4.492 -9.144 -2.499 325 H LEU 45 H LEU 45 -2.817 -6.390 0.782 326 HA LEU 45 HA LEU 45 -4.718 -7.493 2.490 327 HB2 LEU 45 HB2 LEU 45 -3.939 -4.625 1.896 328 HB3 LEU 45 HB3 LEU 45 -5.166 -4.991 3.088 329 HG LEU 45 HG LEU 45 -3.181 -6.625 3.997 330 HD11 LEU 45 HD11 LEU 45 -1.744 -4.247 2.710 331 HD12 LEU 45 HD12 LEU 45 -1.570 -5.942 2.215 332 HD13 LEU 45 HD13 LEU 45 -1.019 -5.425 3.815 333 HD21 LEU 45 HD21 LEU 45 -2.575 -4.813 5.562 334 HD22 LEU 45 HD22 LEU 45 -4.324 -4.845 5.297 335 HD23 LEU 45 HD23 LEU 45 -3.332 -3.622 4.476 336 H SER 46 H SER 46 -5.422 -6.249 -0.585 337 HA SER 46 HA SER 46 -8.232 -5.687 -0.496 338 HB2 SER 46 HB2 SER 46 -6.923 -5.257 -2.485 339 HB3 SER 46 HB3 SER 46 -6.462 -6.961 -2.603 340 HG SER 46 HG SER 46 -8.969 -5.757 -3.184 341 H ALA 47 H ALA 47 -6.537 -8.790 -0.323 342 HA ALA 47 HA ALA 47 -9.150 -10.206 0.011 343 HB1 ALA 47 HB1 ALA 47 -8.130 -12.151 -1.063 344 HB2 ALA 47 HB2 ALA 47 -8.173 -10.754 -2.159 345 HB3 ALA 47 HB3 ALA 47 -6.644 -11.222 -1.377 346 H GLY 48 H GLY 48 -9.380 -10.702 2.047 347 HA2 GLY 48 HA2 GLY 48 -8.975 -11.932 4.010 348 HA3 GLY 48 HA3 GLY 48 -7.292 -12.149 3.554 349 H SER 49 H SER 49 -8.064 -8.830 3.324 350 HA SER 49 HA SER 49 -7.722 -8.224 6.182 351 HB2 SER 49 HB2 SER 49 -5.487 -8.119 4.493 352 HB3 SER 49 HB3 SER 49 -6.075 -6.445 4.536 353 HG SER 49 HG SER 49 -5.388 -8.136 6.728 354 H ASP 50 H ASP 50 -7.426 -5.429 5.889 355 HA ASP 50 HA ASP 50 -9.617 -4.401 4.321 356 HB2 ASP 50 HB2 ASP 50 -10.451 -5.550 6.628 357 HB3 ASP 50 HB3 ASP 50 -9.919 -4.019 7.306 358 H TRP 51 H TRP 51 -9.893 -2.121 4.921 359 HA TRP 51 HA TRP 51 -7.552 -0.436 5.026 360 HB2 TRP 51 HB2 TRP 51 -9.278 0.696 4.122 361 HB3 TRP 51 HB3 TRP 51 -10.497 -0.100 5.089 362 HD1 TRP 51 HD1 TRP 51 -11.503 1.204 7.030 363 HE1 TRP 51 HE1 TRP 51 -11.035 3.461 8.182 364 HE3 TRP 51 HE3 TRP 51 -6.989 2.292 4.898 365 HZ2 TRP 51 HZ2 TRP 51 -8.999 5.495 8.127 366 HZ3 TRP 51 HZ3 TRP 51 -5.779 4.374 5.491 367 HH2 TRP 51 HH2 TRP 51 -6.782 6.000 7.069 368 H LEU 52 H LEU 52 -9.734 -1.641 7.531 369 HA LEU 52 HA LEU 52 -8.880 -0.070 9.707 370 HB2 LEU 52 HB2 LEU 52 -10.799 -2.016 9.257 371 HB3 LEU 52 HB3 LEU 52 -9.690 -2.883 10.293 372 HG LEU 52 HG LEU 52 -11.451 -1.917 11.593 373 HD11 LEU 52 HD11 LEU 52 -9.183 -1.871 12.623 374 HD12 LEU 52 HD12 LEU 52 -10.274 -0.620 13.251 375 HD13 LEU 52 HD13 LEU 52 -9.010 -0.178 12.084 376 HD21 LEU 52 HD21 LEU 52 -12.117 -0.104 10.060 377 HD22 LEU 52 HD22 LEU 52 -10.694 0.842 10.552 378 HD23 LEU 52 HD23 LEU 52 -11.955 0.447 11.734 379 H THR 53 H THR 53 -7.594 -3.196 8.558 380 HA THR 53 HA THR 53 -5.400 -3.239 10.520 381 HB THR 53 HB THR 53 -4.690 -5.248 9.105 382 HG1 THR 53 HG1 THR 53 -6.032 -5.950 7.595 383 HG21 THR 53 HG21 THR 53 -7.471 -5.307 10.362 384 HG22 THR 53 HG22 THR 53 -5.931 -5.487 11.235 385 HG23 THR 53 HG23 THR 53 -6.427 -6.710 10.050 386 H PHE 54 H PHE 54 -5.804 -2.345 7.100 387 HA PHE 54 HA PHE 54 -3.148 -2.178 6.233 388 HB2 PHE 54 HB2 PHE 54 -4.988 -1.820 4.720 389 HB3 PHE 54 HB3 PHE 54 -5.575 -0.474 5.674 390 HD1 PHE 54 HD1 PHE 54 -4.684 1.756 5.534 391 HD2 PHE 54 HD2 PHE 54 -3.063 -1.468 3.174 392 HE1 PHE 54 HE1 PHE 54 -3.457 3.407 4.128 393 HE2 PHE 54 HE2 PHE 54 -1.838 0.193 1.792 394 HZ PHE 54 HZ PHE 54 -2.018 2.617 2.278 395 H GLN 55 H GLN 55 -4.891 0.202 8.184 396 HA GLN 55 HA GLN 55 -2.827 2.181 8.395 397 HB2 GLN 55 HB2 GLN 55 -5.028 1.324 10.307 398 HB3 GLN 55 HB3 GLN 55 -3.992 2.729 10.595 399 HG2 GLN 55 HG2 GLN 55 -4.889 3.941 8.793 400 HG3 GLN 55 HG3 GLN 55 -5.498 2.495 7.977 401 HE21 GLN 55 HE21 GLN 55 -7.446 1.541 8.610 402 HE22 GLN 55 HE22 GLN 55 -8.536 2.396 9.690 403 H LYS 56 H LYS 56 -3.686 -0.345 10.766 404 HA LYS 56 HA LYS 56 -1.310 -0.033 12.374 405 HB2 LYS 56 HB2 LYS 56 -3.195 -2.420 12.133 406 HB3 LYS 56 HB3 LYS 56 -1.826 -2.362 13.229 407 HG2 LYS 56 HG2 LYS 56 -3.550 -1.737 14.602 408 HG3 LYS 56 HG3 LYS 56 -2.793 -0.198 14.198 409 HD2 LYS 56 HD2 LYS 56 -4.618 0.233 12.539 410 HD3 LYS 56 HD3 LYS 56 -5.330 -1.347 12.943 411 HE2 LYS 56 HE2 LYS 56 -5.578 -0.588 15.308 412 HE3 LYS 56 HE3 LYS 56 -4.896 0.983 14.868 413 HZ1 LYS 56 HZ1 LYS 56 -7.323 1.044 14.869 414 HZ2 LYS 56 HZ2 LYS 56 -7.407 -0.158 13.765 415 HZ3 LYS 56 HZ3 LYS 56 -6.781 1.297 13.348 416 H LYS 57 H LYS 57 -1.695 -1.814 9.440 417 HA LYS 57 HA LYS 57 0.611 -3.486 9.559 418 HB2 LYS 57 HB2 LYS 57 -1.341 -3.660 7.956 419 HB3 LYS 57 HB3 LYS 57 -0.707 -2.271 7.107 420 HG2 LYS 57 HG2 LYS 57 0.057 -3.914 5.773 421 HG3 LYS 57 HG3 LYS 57 1.470 -3.754 6.802 422 HD2 LYS 57 HD2 LYS 57 -0.757 -5.817 7.210 423 HD3 LYS 57 HD3 LYS 57 0.696 -6.107 6.252 424 HE2 LYS 57 HE2 LYS 57 2.119 -5.706 8.237 425 HE3 LYS 57 HE3 LYS 57 0.674 -5.442 9.225 426 HZ1 LYS 57 HZ1 LYS 57 1.486 -7.732 9.405 427 HZ2 LYS 57 HZ2 LYS 57 1.296 -7.977 7.804 428 HZ3 LYS 57 HZ3 LYS 57 -0.010 -7.721 8.755 429 H HIS 58 H HIS 58 0.405 -0.160 8.122 430 HA HIS 58 HA HIS 58 3.309 0.176 8.632 431 HB2 HIS 58 HB2 HIS 58 3.972 0.460 6.375 432 HB3 HIS 58 HB3 HIS 58 3.133 -1.079 6.451 433 HD1 HIS 58 HD1 HIS 58 3.088 2.177 4.712 434 HD2 HIS 58 HD2 HIS 58 0.352 -0.898 5.645 435 HE1 HIS 58 HE1 HIS 58 0.941 2.593 3.272 436 HE2 HIS 58 HE2 HIS 58 -0.713 0.721 3.899 437 H ILE 59 H ILE 59 0.864 1.633 9.461 438 HA ILE 59 HA ILE 59 1.702 4.392 8.645 439 HB ILE 59 HB ILE 59 -1.201 3.560 8.964 440 HG12 ILE 59 HG12 ILE 59 0.551 3.918 6.519 441 HG13 ILE 59 HG13 ILE 59 -0.524 2.588 6.918 442 HG21 ILE 59 HG21 ILE 59 -1.755 5.811 8.204 443 HG22 ILE 59 HG22 ILE 59 -0.777 5.914 9.634 444 HG23 ILE 59 HG23 ILE 59 -0.034 6.210 8.043 445 HD11 ILE 59 HD11 ILE 59 -1.358 5.367 5.991 446 HD12 ILE 59 HD12 ILE 59 -1.413 3.863 5.076 447 HD13 ILE 59 HD13 ILE 59 -2.487 4.072 6.483 448 H THR 60 H THR 60 1.534 5.958 10.217 449 HA THR 60 HA THR 60 0.572 5.198 12.917 450 HB THR 60 HB THR 60 2.865 4.357 12.919 451 HG1 THR 60 HG1 THR 60 3.504 5.552 14.775 452 HG21 THR 60 HG21 THR 60 3.761 7.249 12.527 453 HG22 THR 60 HG22 THR 60 3.949 5.939 11.338 454 HG23 THR 60 HG23 THR 60 4.793 5.848 12.889 455 H ASN 61 H ASN 61 0.498 6.895 14.449 456 HA ASN 61 HA ASN 61 0.253 9.659 13.363 457 HB2 ASN 61 HB2 ASN 61 -0.924 8.233 15.790 458 HB3 ASN 61 HB3 ASN 61 -0.985 9.971 15.564 459 HD21 ASN 61 HD21 ASN 61 -2.443 6.948 14.589 460 HD22 ASN 61 HD22 ASN 61 -3.591 7.703 13.490 461 H THR 62 H THR 62 2.604 7.802 14.688 462 HA THR 62 HA THR 62 4.239 10.082 15.347 463 HB THR 62 HB THR 62 3.184 9.956 17.502 464 HG1 THR 62 HG1 THR 62 5.279 10.475 17.643 465 HG21 THR 62 HG21 THR 62 3.275 8.114 19.022 466 HG22 THR 62 HG22 THR 62 4.156 7.100 17.874 467 HG23 THR 62 HG23 THR 62 2.469 7.559 17.548 468 H ARG 63 H ARG 63 6.085 9.587 14.270 469 HA ARG 63 HA ARG 63 6.882 6.854 13.687 470 HB2 ARG 63 HB2 ARG 63 7.457 8.787 12.196 471 HB3 ARG 63 HB3 ARG 63 8.572 9.373 13.451 472 HG2 ARG 63 HG2 ARG 63 9.681 7.022 13.306 473 HG3 ARG 63 HG3 ARG 63 8.631 6.748 11.909 474 HD2 ARG 63 HD2 ARG 63 10.658 7.371 11.001 475 HD3 ARG 63 HD3 ARG 63 9.695 8.843 10.879 476 HE ARG 63 HE ARG 63 11.976 8.257 12.728 477 HH11 ARG 63 HH11 ARG 63 9.730 10.742 11.714 478 HH12 ARG 63 HH12 ARG 63 10.672 12.005 12.458 479 HH21 ARG 63 HH21 ARG 63 13.123 9.892 13.619 480 HH22 ARG 63 HH22 ARG 63 12.549 11.526 13.499 481 H ASP 64 H ASP 64 7.300 5.610 15.364 482 HA ASP 64 HA ASP 64 9.379 6.422 17.352 483 HB2 ASP 64 HB2 ASP 64 7.017 5.943 18.119 484 HB3 ASP 64 HB3 ASP 64 7.249 4.273 17.603 485 H VAL 65 H VAL 65 9.393 4.828 14.580 486 HA VAL 65 HA VAL 65 10.795 2.363 15.263 487 HB VAL 65 HB VAL 65 9.494 2.354 13.283 488 HG11 VAL 65 HG11 VAL 65 9.402 4.641 12.575 489 HG12 VAL 65 HG12 VAL 65 11.159 4.692 12.262 490 HG13 VAL 65 HG13 VAL 65 10.091 3.697 11.258 491 HG21 VAL 65 HG21 VAL 65 11.651 1.083 13.280 492 HG22 VAL 65 HG22 VAL 65 11.050 1.492 11.679 493 HG23 VAL 65 HG23 VAL 65 12.378 2.430 12.353 494 H ASP 66 H ASP 66 12.903 1.920 15.267 495 HA ASP 66 HA ASP 66 14.922 3.953 14.409 496 HB2 ASP 66 HB2 ASP 66 14.606 3.759 16.930 497 HB3 ASP 66 HB3 ASP 66 15.213 2.108 16.798 498 H CYS 67 H CYS 67 13.647 1.221 13.458 499 HA CYS 67 HA CYS 67 14.156 -0.751 12.494 500 HB2 CYS 67 HB2 CYS 67 16.455 0.782 11.297 501 HB3 CYS 67 HB3 CYS 67 15.558 -0.572 10.600 502 H ASP 68 H ASP 68 15.003 -0.824 15.029 503 HA ASP 68 HA ASP 68 16.988 -2.978 15.117 504 HB2 ASP 68 HB2 ASP 68 17.532 -0.206 16.154 505 HB3 ASP 68 HB3 ASP 68 17.979 -1.534 17.203 506 H ASN 69 H ASN 69 14.578 -0.968 16.784 507 HA ASN 69 HA ASN 69 14.210 -3.050 18.866 508 HB2 ASN 69 HB2 ASN 69 13.050 -1.257 20.113 509 HB3 ASN 69 HB3 ASN 69 14.754 -0.969 19.788 510 HD21 ASN 69 HD21 ASN 69 11.886 -0.242 17.630 511 HD22 ASN 69 HD22 ASN 69 12.227 1.478 17.742 512 H ILE 70 H ILE 70 12.963 -2.465 15.916 513 HA ILE 70 HA ILE 70 10.139 -2.594 16.250 514 HB ILE 70 HB ILE 70 10.048 -3.286 13.943 515 HG12 ILE 70 HG12 ILE 70 13.016 -3.883 14.247 516 HG13 ILE 70 HG13 ILE 70 11.714 -4.949 13.692 517 HG21 ILE 70 HG21 ILE 70 10.513 -0.924 14.637 518 HG22 ILE 70 HG22 ILE 70 12.241 -1.208 14.313 519 HG23 ILE 70 HG23 ILE 70 11.043 -1.315 13.003 520 HD11 ILE 70 HD11 ILE 70 13.015 -4.337 11.799 521 HD12 ILE 70 HD12 ILE 70 11.468 -3.467 11.667 522 HD13 ILE 70 HD13 ILE 70 12.938 -2.615 12.213 523 H MET 71 H MET 71 12.448 -4.948 16.919 524 HA MET 71 HA MET 71 11.043 -7.407 16.647 525 HB2 MET 71 HB2 MET 71 12.485 -8.286 18.361 526 HB3 MET 71 HB3 MET 71 13.410 -7.228 17.300 527 HG2 MET 71 HG2 MET 71 13.218 -5.399 19.005 528 HG3 MET 71 HG3 MET 71 12.349 -6.514 20.064 529 HE1 MET 71 HE1 MET 71 13.904 -6.088 22.062 530 HE2 MET 71 HE2 MET 71 15.677 -6.146 21.985 531 HE3 MET 71 HE3 MET 71 14.791 -4.886 21.095 532 H SER 72 H SER 72 10.458 -4.808 18.927 533 HA SER 72 HA SER 72 8.643 -6.420 20.623 534 HB2 SER 72 HB2 SER 72 10.307 -4.685 21.454 535 HB3 SER 72 HB3 SER 72 9.238 -3.447 20.771 536 HG SER 72 HG SER 72 8.837 -3.898 23.013 537 H THR 73 H THR 73 8.339 -4.651 17.749 538 HA THR 73 HA THR 73 5.543 -3.715 18.212 539 HB THR 73 HB THR 73 5.730 -2.444 16.216 540 HG1 THR 73 HG1 THR 73 8.116 -3.908 15.771 541 HG21 THR 73 HG21 THR 73 7.637 -0.976 16.573 542 HG22 THR 73 HG22 THR 73 8.405 -2.159 17.648 543 HG23 THR 73 HG23 THR 73 6.874 -1.393 18.119 544 H ASN 74 H ASN 74 4.259 -3.899 15.940 545 HA ASN 74 HA ASN 74 3.725 -6.673 15.353 546 HB2 ASN 74 HB2 ASN 74 3.027 -4.206 13.691 547 HB3 ASN 74 HB3 ASN 74 2.259 -5.785 13.613 548 HD21 ASN 74 HD21 ASN 74 2.071 -2.689 15.037 549 HD22 ASN 74 HD22 ASN 74 0.882 -3.123 16.257 550 H LEU 75 H LEU 75 6.197 -4.565 14.184 551 HA LEU 75 HA LEU 75 6.403 -5.752 11.515 552 HB2 LEU 75 HB2 LEU 75 7.957 -3.510 12.867 553 HB3 LEU 75 HB3 LEU 75 8.023 -3.941 11.182 554 HG LEU 75 HG LEU 75 6.735 -2.105 11.114 555 HD11 LEU 75 HD11 LEU 75 5.625 -3.934 9.901 556 HD12 LEU 75 HD12 LEU 75 4.507 -2.683 10.467 557 HD13 LEU 75 HD13 LEU 75 4.586 -4.230 11.320 558 HD21 LEU 75 HD21 LEU 75 4.907 -1.451 12.547 559 HD22 LEU 75 HD22 LEU 75 6.364 -1.750 13.505 560 HD23 LEU 75 HD23 LEU 75 5.045 -2.939 13.487 561 H PHE 76 H PHE 76 7.377 -7.113 14.145 562 HA PHE 76 HA PHE 76 10.183 -7.481 14.114 563 HB2 PHE 76 HB2 PHE 76 9.780 -9.083 15.784 564 HB3 PHE 76 HB3 PHE 76 8.560 -7.844 16.018 565 HD1 PHE 76 HD1 PHE 76 6.151 -8.341 15.199 566 HD2 PHE 76 HD2 PHE 76 9.216 -11.359 15.405 567 HE1 PHE 76 HE1 PHE 76 4.412 -10.102 15.111 568 HE2 PHE 76 HE2 PHE 76 7.472 -13.129 15.324 569 HZ PHE 76 HZ PHE 76 5.067 -12.503 15.176 570 H HIS 77 H HIS 77 8.018 -8.615 11.874 571 HA HIS 77 HA HIS 77 8.644 -11.335 11.480 572 HB2 HIS 77 HB2 HIS 77 6.718 -9.777 10.598 573 HB3 HIS 77 HB3 HIS 77 7.759 -9.547 9.201 574 HD1 HIS 77 HD1 HIS 77 8.714 -12.429 8.587 575 HD2 HIS 77 HD2 HIS 77 4.870 -11.436 10.020 576 HE1 HIS 77 HE1 HIS 77 7.158 -14.401 7.942 577 HE2 HIS 77 HE2 HIS 77 4.812 -13.776 8.812 578 H CYS 78 H CYS 78 10.866 -8.979 11.108 579 HA CYS 78 HA CYS 78 12.770 -8.567 9.929 580 HB2 CYS 78 HB2 CYS 78 13.152 -10.795 11.125 581 HB3 CYS 78 HB3 CYS 78 13.013 -11.552 9.539 582 H LYS 79 H LYS 79 10.475 -8.361 8.385 583 HA LYS 79 HA LYS 79 10.733 -9.305 5.693 584 HB2 LYS 79 HB2 LYS 79 9.177 -7.368 5.168 585 HB3 LYS 79 HB3 LYS 79 8.632 -8.568 6.324 586 HG2 LYS 79 HG2 LYS 79 7.933 -6.489 7.159 587 HG3 LYS 79 HG3 LYS 79 9.220 -7.037 8.210 588 HD2 LYS 79 HD2 LYS 79 10.329 -5.388 6.074 589 HD3 LYS 79 HD3 LYS 79 8.951 -4.572 6.765 590 HE2 LYS 79 HE2 LYS 79 11.332 -5.622 8.371 591 HE3 LYS 79 HE3 LYS 79 11.175 -3.975 7.766 592 HZ1 LYS 79 HZ1 LYS 79 9.471 -5.279 9.820 593 HZ2 LYS 79 HZ2 LYS 79 9.037 -3.865 9.083 594 HZ3 LYS 79 HZ3 LYS 79 10.407 -3.960 9.982 595 H ASP 80 H ASP 80 11.267 -8.112 3.788 596 HA ASP 80 HA ASP 80 13.981 -7.234 3.958 597 HB2 ASP 80 HB2 ASP 80 13.937 -7.213 1.562 598 HB3 ASP 80 HB3 ASP 80 13.123 -8.648 2.164 599 H LYS 81 H LYS 81 11.024 -5.391 3.666 600 HA LYS 81 HA LYS 81 12.338 -3.052 4.612 601 HB2 LYS 81 HB2 LYS 81 11.762 -1.480 2.752 602 HB3 LYS 81 HB3 LYS 81 13.015 -2.630 2.304 603 HG2 LYS 81 HG2 LYS 81 11.585 -3.909 0.976 604 HG3 LYS 81 HG3 LYS 81 10.123 -3.130 1.620 605 HD2 LYS 81 HD2 LYS 81 11.608 -0.986 0.548 606 HD3 LYS 81 HD3 LYS 81 11.868 -2.305 -0.604 607 HE2 LYS 81 HE2 LYS 81 9.376 -2.627 -0.707 608 HE3 LYS 81 HE3 LYS 81 9.182 -1.274 0.419 609 HZ1 LYS 81 HZ1 LYS 81 10.223 0.176 -1.237 610 HZ2 LYS 81 HZ2 LYS 81 8.909 -0.548 -1.877 611 HZ3 LYS 81 HZ3 LYS 81 10.400 -1.071 -2.283 612 H ASN 82 H ASN 82 10.843 -1.207 4.898 613 HA ASN 82 HA ASN 82 7.974 -1.781 4.491 614 HB2 ASN 82 HB2 ASN 82 8.726 -2.363 6.941 615 HB3 ASN 82 HB3 ASN 82 8.848 -0.620 7.164 616 HD21 ASN 82 HD21 ASN 82 7.159 -1.164 8.867 617 HD22 ASN 82 HD22 ASN 82 5.496 -1.347 8.332 618 H THR 83 H THR 83 6.632 0.144 4.647 619 HA THR 83 HA THR 83 8.064 2.756 4.311 620 HB THR 83 HB THR 83 5.606 1.921 2.731 621 HG1 THR 83 HG1 THR 83 7.121 1.973 0.983 622 HG21 THR 83 HG21 THR 83 5.873 4.371 3.189 623 HG22 THR 83 HG22 THR 83 6.103 3.984 1.482 624 HG23 THR 83 HG23 THR 83 7.513 4.299 2.521 625 H PHE 84 H PHE 84 7.688 3.473 6.368 626 HA PHE 84 HA PHE 84 5.025 3.395 7.572 627 HB2 PHE 84 HB2 PHE 84 7.530 4.747 8.519 628 HB3 PHE 84 HB3 PHE 84 6.017 4.670 9.399 629 HD1 PHE 84 HD1 PHE 84 5.071 2.206 9.818 630 HD2 PHE 84 HD2 PHE 84 9.188 3.209 8.981 631 HE1 PHE 84 HE1 PHE 84 5.811 0.147 10.982 632 HE2 PHE 84 HE2 PHE 84 9.902 1.029 9.943 633 HZ PHE 84 HZ PHE 84 8.238 -0.445 11.066 634 H ILE 85 H ILE 85 3.522 4.802 7.174 635 HA ILE 85 HA ILE 85 4.122 7.509 6.026 636 HB ILE 85 HB ILE 85 1.558 5.899 6.242 637 HG12 ILE 85 HG12 ILE 85 3.105 6.681 3.724 638 HG13 ILE 85 HG13 ILE 85 3.262 5.112 4.515 639 HG21 ILE 85 HG21 ILE 85 1.127 8.348 6.399 640 HG22 ILE 85 HG22 ILE 85 1.963 8.579 4.848 641 HG23 ILE 85 HG23 ILE 85 0.453 7.634 4.949 642 HD11 ILE 85 HD11 ILE 85 0.808 4.749 4.263 643 HD12 ILE 85 HD12 ILE 85 0.731 6.213 3.259 644 HD13 ILE 85 HD13 ILE 85 1.711 4.838 2.728 645 H TYR 86 H TYR 86 4.379 9.076 7.590 646 HA TYR 86 HA TYR 86 2.795 8.890 10.082 647 HB2 TYR 86 HB2 TYR 86 5.128 9.417 10.316 648 HB3 TYR 86 HB3 TYR 86 4.948 10.775 9.217 649 HD1 TYR 86 HD2 TYR 86 2.190 10.376 11.653 650 HD2 TYR 86 HD1 TYR 86 6.118 12.066 11.009 651 HE1 TYR 86 HE2 TYR 86 1.798 11.990 13.466 652 HE2 TYR 86 HE1 TYR 86 5.725 13.653 12.890 653 HH TYR 86 HH TYR 86 2.653 13.684 14.732 654 H SER 87 H SER 87 0.720 9.092 9.186 655 HA SER 87 HA SER 87 -0.115 11.897 9.045 656 HB2 SER 87 HB2 SER 87 -1.496 11.653 7.070 657 HB3 SER 87 HB3 SER 87 0.186 11.273 6.656 658 HG SER 87 HG SER 87 -1.309 9.747 5.803 659 H ARG 88 H ARG 88 -2.519 12.088 9.145 660 HA ARG 88 HA ARG 88 -3.753 10.237 11.079 661 HB2 ARG 88 HB2 ARG 88 -4.499 12.890 9.780 662 HB3 ARG 88 HB3 ARG 88 -5.755 11.905 10.532 663 HG2 ARG 88 HG2 ARG 88 -4.472 11.801 12.631 664 HG3 ARG 88 HG3 ARG 88 -3.212 12.832 11.924 665 HD2 ARG 88 HD2 ARG 88 -4.599 14.746 11.955 666 HD3 ARG 88 HD3 ARG 88 -6.076 13.787 11.893 667 HE ARG 88 HE ARG 88 -6.155 13.685 14.168 668 HH11 ARG 88 HH11 ARG 88 -2.864 14.620 13.448 669 HH12 ARG 88 HH12 ARG 88 -2.456 14.804 15.132 670 HH21 ARG 88 HH21 ARG 88 -5.586 13.931 16.272 671 HH22 ARG 88 HH22 ARG 88 -3.974 14.428 16.688 672 HA PRO 89 HA PRO 89 -5.900 7.754 8.171 673 HB2 PRO 89 HB2 PRO 89 -8.395 7.345 9.297 674 HB3 PRO 89 HB3 PRO 89 -6.877 6.584 9.865 675 HG2 PRO 89 HG2 PRO 89 -8.258 9.050 10.944 676 HG3 PRO 89 HG3 PRO 89 -7.597 7.659 11.860 677 HD2 PRO 89 HD2 PRO 89 -6.202 9.964 11.582 678 HD3 PRO 89 HD3 PRO 89 -5.373 8.383 11.528 679 H GLU 90 H GLU 90 -7.325 10.881 8.883 680 HA GLU 90 HA GLU 90 -9.523 10.775 7.018 681 HB2 GLU 90 HB2 GLU 90 -8.130 12.973 8.538 682 HB3 GLU 90 HB3 GLU 90 -9.181 13.390 7.185 683 HG2 GLU 90 HG2 GLU 90 -10.435 13.468 9.253 684 HG3 GLU 90 HG3 GLU 90 -11.065 12.223 8.182 685 HA PRO 91 HA PRO 91 -6.811 12.936 3.740 686 HB2 PRO 91 HB2 PRO 91 -4.069 13.065 4.037 687 HB3 PRO 91 HB3 PRO 91 -5.191 14.335 4.596 688 HG2 PRO 91 HG2 PRO 91 -3.944 12.082 6.183 689 HG3 PRO 91 HG3 PRO 91 -4.069 13.814 6.633 690 HD2 PRO 91 HD2 PRO 91 -5.803 11.974 7.579 691 HD3 PRO 91 HD3 PRO 91 -6.372 13.595 7.160 692 H VAL 92 H VAL 92 -6.330 9.986 5.125 693 HA VAL 92 HA VAL 92 -5.049 8.727 2.717 694 HB VAL 92 HB VAL 92 -5.669 7.454 5.409 695 HG11 VAL 92 HG11 VAL 92 -4.007 5.765 4.646 696 HG12 VAL 92 HG12 VAL 92 -5.418 5.834 3.583 697 HG13 VAL 92 HG13 VAL 92 -3.892 6.592 3.081 698 HG21 VAL 92 HG21 VAL 92 -3.942 9.289 5.670 699 HG22 VAL 92 HG22 VAL 92 -3.346 7.673 6.020 700 HG23 VAL 92 HG23 VAL 92 -2.950 8.440 4.474 701 H LYS 93 H LYS 93 -7.838 8.219 4.922 702 HA LYS 93 HA LYS 93 -9.168 6.424 3.122 703 HB2 LYS 93 HB2 LYS 93 -9.525 7.000 5.749 704 HB3 LYS 93 HB3 LYS 93 -10.836 7.970 5.068 705 HG2 LYS 93 HG2 LYS 93 -11.275 5.699 3.686 706 HG3 LYS 93 HG3 LYS 93 -10.413 4.976 5.050 707 HD2 LYS 93 HD2 LYS 93 -12.983 6.637 5.209 708 HD3 LYS 93 HD3 LYS 93 -12.852 4.880 5.234 709 HE2 LYS 93 HE2 LYS 93 -13.062 5.243 7.445 710 HE3 LYS 93 HE3 LYS 93 -11.307 5.180 7.270 711 HZ1 LYS 93 HZ1 LYS 93 -11.273 7.618 7.350 712 HZ2 LYS 93 HZ2 LYS 93 -12.023 7.028 8.670 713 HZ3 LYS 93 HZ3 LYS 93 -12.909 7.674 7.466 714 H ALA 94 H ALA 94 -9.590 9.914 3.634 715 HA ALA 94 HA ALA 94 -11.940 10.110 1.962 716 HB1 ALA 94 HB1 ALA 94 -10.124 12.307 3.009 717 HB2 ALA 94 HB2 ALA 94 -11.801 12.470 2.456 718 HB3 ALA 94 HB3 ALA 94 -11.452 11.555 3.937 719 H ILE 95 H ILE 95 -8.719 9.791 1.022 720 HA ILE 95 HA ILE 95 -8.515 11.421 -1.278 721 HB ILE 95 HB ILE 95 -7.587 8.536 -1.012 722 HG12 ILE 95 HG12 ILE 95 -5.995 11.081 -0.438 723 HG13 ILE 95 HG13 ILE 95 -6.743 10.096 0.809 724 HG21 ILE 95 HG21 ILE 95 -7.532 9.463 -3.370 725 HG22 ILE 95 HG22 ILE 95 -6.498 10.777 -2.793 726 HG23 ILE 95 HG23 ILE 95 -5.946 9.087 -2.741 727 HD11 ILE 95 HD11 ILE 95 -4.518 9.177 -1.049 728 HD12 ILE 95 HD12 ILE 95 -4.425 9.512 0.679 729 HD13 ILE 95 HD13 ILE 95 -5.377 8.133 0.108 730 H CYS 96 H CYS 96 -10.417 8.474 -0.727 731 HA CYS 96 HA CYS 96 -11.675 8.773 -3.422 732 HB2 CYS 96 HB2 CYS 96 -12.261 6.449 -3.275 733 HB3 CYS 96 HB3 CYS 96 -10.519 6.665 -3.121 734 H LYS 97 H LYS 97 -13.904 8.353 -3.583 735 HA LYS 97 HA LYS 97 -15.682 8.408 -1.257 736 HB2 LYS 97 HB2 LYS 97 -14.935 10.787 -1.565 737 HB3 LYS 97 HB3 LYS 97 -15.689 10.813 -3.148 738 HG2 LYS 97 HG2 LYS 97 -17.272 10.070 -0.647 739 HG3 LYS 97 HG3 LYS 97 -16.899 11.751 -1.017 740 HD2 LYS 97 HD2 LYS 97 -18.033 11.546 -3.216 741 HD3 LYS 97 HD3 LYS 97 -18.514 9.885 -2.803 742 HE2 LYS 97 HE2 LYS 97 -19.737 10.692 -0.831 743 HE3 LYS 97 HE3 LYS 97 -19.194 12.345 -1.136 744 HZ1 LYS 97 HZ1 LYS 97 -20.938 10.777 -2.963 745 HZ2 LYS 97 HZ2 LYS 97 -20.440 12.313 -3.224 746 HZ3 LYS 97 HZ3 LYS 97 -21.440 11.979 -1.981 747 H GLY 98 H GLY 98 -16.831 6.696 -1.891 748 HA2 GLY 98 HA2 GLY 98 -18.633 5.662 -3.002 749 HA3 GLY 98 HA3 GLY 98 -18.526 6.837 -4.302 750 H ILE 99 H ILE 99 -15.439 5.579 -3.786 751 HA ILE 99 HA ILE 99 -15.499 4.112 -6.292 752 HB ILE 99 HB ILE 99 -13.234 4.545 -4.312 753 HG12 ILE 99 HG12 ILE 99 -14.026 5.910 -6.929 754 HG13 ILE 99 HG13 ILE 99 -14.039 6.622 -5.319 755 HG21 ILE 99 HG21 ILE 99 -11.783 3.787 -6.207 756 HG22 ILE 99 HG22 ILE 99 -12.810 2.498 -5.633 757 HG23 ILE 99 HG23 ILE 99 -13.224 3.364 -7.141 758 HD11 ILE 99 HD11 ILE 99 -12.129 7.508 -6.346 759 HD12 ILE 99 HD12 ILE 99 -11.485 6.246 -5.283 760 HD13 ILE 99 HD13 ILE 99 -11.634 5.947 -7.025 761 H ILE 100 H ILE 100 -16.244 2.186 -6.479 762 HA ILE 100 HA ILE 100 -15.679 0.035 -4.469 763 HB ILE 100 HB ILE 100 -17.752 -0.122 -6.674 764 HG12 ILE 100 HG12 ILE 100 -18.089 0.997 -3.860 765 HG13 ILE 100 HG13 ILE 100 -18.370 1.849 -5.380 766 HG21 ILE 100 HG21 ILE 100 -17.036 -2.246 -5.466 767 HG22 ILE 100 HG22 ILE 100 -17.608 -1.491 -3.962 768 HG23 ILE 100 HG23 ILE 100 -18.732 -1.863 -5.282 769 HD11 ILE 100 HD11 ILE 100 -20.271 0.298 -5.869 770 HD12 ILE 100 HD12 ILE 100 -20.091 -0.351 -4.215 771 HD13 ILE 100 HD13 ILE 100 -20.490 1.353 -4.458 772 H ALA 101 H ALA 101 -14.727 1.211 -7.468 773 HA ALA 101 HA ALA 101 -14.370 -1.124 -9.043 774 HB1 ALA 101 HB1 ALA 101 -14.715 1.182 -9.884 775 HB2 ALA 101 HB2 ALA 101 -13.107 1.644 -9.274 776 HB3 ALA 101 HB3 ALA 101 -13.263 0.447 -10.577 777 H SER 102 H SER 102 -12.585 -0.631 -6.347 778 HA SER 102 HA SER 102 -10.476 -0.968 -5.585 779 HB2 SER 102 HB2 SER 102 -11.163 -3.266 -6.370 780 HB3 SER 102 HB3 SER 102 -10.094 -3.020 -7.757 781 HG SER 102 HG SER 102 -9.511 -3.606 -5.146 782 H LYS 103 H LYS 103 -10.144 1.263 -6.384 783 HA LYS 103 HA LYS 103 -7.562 1.531 -7.736 784 HB2 LYS 103 HB2 LYS 103 -9.168 1.495 -9.620 785 HB3 LYS 103 HB3 LYS 103 -10.003 2.899 -8.955 786 HG2 LYS 103 HG2 LYS 103 -8.062 4.302 -9.286 787 HG3 LYS 103 HG3 LYS 103 -7.033 2.920 -9.681 788 HD2 LYS 103 HD2 LYS 103 -9.418 3.820 -11.358 789 HD3 LYS 103 HD3 LYS 103 -7.749 4.353 -11.619 790 HE2 LYS 103 HE2 LYS 103 -7.046 1.965 -11.902 791 HE3 LYS 103 HE3 LYS 103 -8.738 1.471 -11.763 792 HZ1 LYS 103 HZ1 LYS 103 -9.217 2.823 -13.743 793 HZ2 LYS 103 HZ2 LYS 103 -8.077 1.705 -14.085 794 HZ3 LYS 103 HZ3 LYS 103 -7.647 3.263 -13.870 795 H ASN 104 H ASN 104 -6.562 3.639 -7.250 796 HA ASN 104 HA ASN 104 -8.305 5.675 -6.082 797 HB2 ASN 104 HB2 ASN 104 -6.803 4.163 -4.369 798 HB3 ASN 104 HB3 ASN 104 -5.632 5.412 -4.741 799 HD21 ASN 104 HD21 ASN 104 -6.609 5.078 -2.161 800 HD22 ASN 104 HD22 ASN 104 -7.570 6.481 -1.756 801 H VAL 105 H VAL 105 -6.558 7.651 -5.590 802 HA VAL 105 HA VAL 105 -4.827 8.019 -7.994 803 HB VAL 105 HB VAL 105 -6.526 10.188 -6.680 804 HG11 VAL 105 HG11 VAL 105 -4.829 10.207 -9.221 805 HG12 VAL 105 HG12 VAL 105 -5.866 11.535 -8.654 806 HG13 VAL 105 HG13 VAL 105 -4.459 11.065 -7.708 807 HG21 VAL 105 HG21 VAL 105 -8.029 8.707 -7.933 808 HG22 VAL 105 HG22 VAL 105 -7.817 10.219 -8.811 809 HG23 VAL 105 HG23 VAL 105 -6.948 8.761 -9.345 810 H LEU 106 H LEU 106 -2.821 8.737 -7.513 811 HA LEU 106 HA LEU 106 -1.630 8.783 -5.016 812 HB2 LEU 106 HB2 LEU 106 -0.468 8.834 -7.232 813 HB3 LEU 106 HB3 LEU 106 -1.021 10.478 -7.490 814 HG LEU 106 HG LEU 106 0.380 11.143 -5.449 815 HD11 LEU 106 HD11 LEU 106 0.522 8.797 -4.576 816 HD12 LEU 106 HD12 LEU 106 2.070 9.645 -4.650 817 HD13 LEU 106 HD13 LEU 106 1.654 8.433 -5.886 818 HD21 LEU 106 HD21 LEU 106 1.126 11.578 -7.730 819 HD22 LEU 106 HD22 LEU 106 1.773 9.932 -7.860 820 HD23 LEU 106 HD23 LEU 106 2.494 11.095 -6.722 821 H THR 107 H THR 107 -1.300 10.245 -3.372 822 HA THR 107 HA THR 107 -3.100 12.448 -2.986 823 HB THR 107 HB THR 107 -0.843 12.945 -1.346 824 HG1 THR 107 HG1 THR 107 -1.467 10.212 -1.201 825 HG21 THR 107 HG21 THR 107 -3.168 13.135 -0.584 826 HG22 THR 107 HG22 THR 107 -2.325 11.956 0.442 827 HG23 THR 107 HG23 THR 107 -3.422 11.395 -0.826 828 H THR 108 H THR 108 -2.249 14.656 -2.306 829 HA THR 108 HA THR 108 -0.358 15.761 -4.369 830 HB THR 108 HB THR 108 -2.741 16.211 -4.828 831 HG1 THR 108 HG1 THR 108 -1.114 18.470 -4.289 832 HG21 THR 108 HG21 THR 108 -2.624 18.094 -2.432 833 HG22 THR 108 HG22 THR 108 -3.590 16.601 -2.530 834 HG23 THR 108 HG23 THR 108 -3.930 17.950 -3.621 835 H SER 109 H SER 109 -1.066 15.647 -1.008 836 HA SER 109 HA SER 109 0.618 17.994 -0.282 837 HB2 SER 109 HB2 SER 109 -0.959 16.008 1.404 838 HB3 SER 109 HB3 SER 109 0.010 17.337 2.055 839 HG SER 109 HG SER 109 -2.192 17.609 0.258 840 H GLU 110 H GLU 110 2.243 17.565 1.530 841 HA GLU 110 HA GLU 110 3.844 15.126 0.882 842 HB2 GLU 110 HB2 GLU 110 4.958 17.825 1.667 843 HB3 GLU 110 HB3 GLU 110 5.831 16.387 1.111 844 HG2 GLU 110 HG2 GLU 110 4.453 16.555 -1.044 845 HG3 GLU 110 HG3 GLU 110 3.969 18.162 -0.513 846 H PHE 111 H PHE 111 3.825 13.699 2.432 847 HA PHE 111 HA PHE 111 3.426 14.495 5.272 848 HB2 PHE 111 HB2 PHE 111 3.099 11.744 4.039 849 HB3 PHE 111 HB3 PHE 111 2.469 12.324 5.571 850 HD1 PHE 111 HD1 PHE 111 2.114 12.455 1.887 851 HD2 PHE 111 HD2 PHE 111 0.290 13.476 5.655 852 HE1 PHE 111 HE1 PHE 111 0.022 12.991 0.713 853 HE2 PHE 111 HE2 PHE 111 -1.831 13.991 4.473 854 HZ PHE 111 HZ PHE 111 -1.959 13.740 1.981 855 H TYR 112 H TYR 112 4.577 13.105 6.904 856 HA TYR 112 HA TYR 112 7.410 12.924 6.250 857 HB2 TYR 112 HB2 TYR 112 5.773 12.900 8.669 858 HB3 TYR 112 HB3 TYR 112 6.989 11.632 8.702 859 HD1 TYR 112 HD1 TYR 112 6.626 15.301 7.986 860 HD2 TYR 112 HD2 TYR 112 9.178 12.097 9.331 861 HE1 TYR 112 HE1 TYR 112 8.378 16.963 8.611 862 HE2 TYR 112 HE2 TYR 112 10.932 13.767 9.969 863 HH TYR 112 HH TYR 112 10.463 17.285 9.498 864 H LEU 113 H LEU 113 8.146 11.420 5.009 865 HA LEU 113 HA LEU 113 6.996 8.682 5.023 866 HB2 LEU 113 HB2 LEU 113 7.999 10.482 2.964 867 HB3 LEU 113 HB3 LEU 113 8.899 8.980 2.934 868 HG LEU 113 HG LEU 113 6.984 8.991 1.425 869 HD11 LEU 113 HD11 LEU 113 7.835 6.861 2.351 870 HD12 LEU 113 HD12 LEU 113 6.108 6.794 1.967 871 HD13 LEU 113 HD13 LEU 113 6.629 6.947 3.654 872 HD21 LEU 113 HD21 LEU 113 5.426 10.366 2.799 873 HD22 LEU 113 HD22 LEU 113 5.150 8.962 3.849 874 HD23 LEU 113 HD23 LEU 113 4.701 8.894 2.133 875 H SER 114 H SER 114 7.923 7.135 5.982 876 HA SER 114 HA SER 114 10.839 7.225 6.651 877 HB2 SER 114 HB2 SER 114 9.608 7.848 8.601 878 HB3 SER 114 HB3 SER 114 8.507 6.498 8.419 879 HG SER 114 HG SER 114 10.003 5.791 9.865 880 H ASP 115 H ASP 115 11.454 5.955 4.973 881 HA ASP 115 HA ASP 115 10.449 3.198 4.695 882 HB2 ASP 115 HB2 ASP 115 12.816 4.641 3.477 883 HB3 ASP 115 HB3 ASP 115 12.263 3.036 3.018 884 H CYS 116 H CYS 116 11.879 1.352 5.044 885 HA CYS 116 HA CYS 116 14.606 1.836 5.874 886 HB2 CYS 116 HB2 CYS 116 12.700 1.059 7.931 887 HB3 CYS 116 HB3 CYS 116 13.861 -0.240 7.682 888 H ASN 117 H ASN 117 15.911 0.258 5.003 889 HA ASN 117 HA ASN 117 14.599 -2.050 3.614 890 HB2 ASN 117 HB2 ASN 117 16.518 0.064 2.528 891 HB3 ASN 117 HB3 ASN 117 16.375 -1.532 1.798 892 HD21 ASN 117 HD21 ASN 117 14.387 1.364 2.632 893 HD22 ASN 117 HD22 ASN 117 13.288 1.095 1.282 894 H VAL 118 H VAL 118 15.747 -3.945 3.656 895 HA VAL 118 HA VAL 118 17.664 -4.255 5.773 896 HB VAL 118 HB VAL 118 16.678 -6.046 3.582 897 HG11 VAL 118 HG11 VAL 118 18.981 -6.881 3.923 898 HG12 VAL 118 HG12 VAL 118 18.730 -6.868 5.690 899 HG13 VAL 118 HG13 VAL 118 17.819 -7.982 4.652 900 HG21 VAL 118 HG21 VAL 118 15.744 -7.299 5.501 901 HG22 VAL 118 HG22 VAL 118 16.493 -6.141 6.617 902 HG23 VAL 118 HG23 VAL 118 15.221 -5.615 5.493 903 H THR 119 H THR 119 19.833 -4.755 5.837 904 HA THR 119 HA THR 119 21.480 -4.452 3.392 905 HB THR 119 HB THR 119 21.300 -2.226 4.221 906 HG1 THR 119 HG1 THR 119 23.909 -3.179 4.651 907 HG21 THR 119 HG21 THR 119 22.207 -1.348 6.191 908 HG22 THR 119 HG22 THR 119 22.875 -2.908 6.704 909 HG23 THR 119 HG23 THR 119 21.119 -2.660 6.668 910 H SER 120 H SER 120 21.741 -6.571 3.501 911 HA SER 120 HA SER 120 22.743 -8.194 5.597 912 HB2 SER 120 HB2 SER 120 23.147 -8.533 2.600 913 HB3 SER 120 HB3 SER 120 23.349 -9.791 3.836 914 HG SER 120 HG SER 120 21.241 -9.875 2.894 Start of MODEL 3 1 H1 ARG 1 H1 ARG 1 17.906 -5.051 18.418 2 H2 ARG 1 H2 ARG 1 19.485 -5.274 18.039 3 H3 ARG 1 H3 ARG 1 18.834 -3.755 18.053 4 HA ARG 1 HA ARG 1 17.352 -4.322 16.266 5 HB2 ARG 1 HB2 ARG 1 19.026 -4.499 14.404 6 HB3 ARG 1 HB3 ARG 1 19.144 -3.103 15.424 7 HG2 ARG 1 HG2 ARG 1 20.992 -5.463 15.943 8 HG3 ARG 1 HG3 ARG 1 21.270 -4.367 14.594 9 HD2 ARG 1 HD2 ARG 1 21.178 -2.423 16.207 10 HD3 ARG 1 HD3 ARG 1 21.208 -3.576 17.534 11 HE ARG 1 HE ARG 1 23.383 -2.828 15.703 12 HH11 ARG 1 HH11 ARG 1 22.517 -5.110 18.218 13 HH12 ARG 1 HH12 ARG 1 24.183 -5.490 18.548 14 HH21 ARG 1 HH21 ARG 1 25.462 -3.356 16.187 15 HH22 ARG 1 HH22 ARG 1 25.788 -4.535 17.420 16 HA PRO 2 HA PRO 2 16.722 -8.702 15.735 17 HB2 PRO 2 HB2 PRO 2 14.819 -8.590 13.732 18 HB3 PRO 2 HB3 PRO 2 14.486 -8.340 15.458 19 HG2 PRO 2 HG2 PRO 2 14.896 -6.251 13.311 20 HG3 PRO 2 HG3 PRO 2 13.671 -6.292 14.612 21 HD2 PRO 2 HD2 PRO 2 15.929 -4.767 14.810 22 HD3 PRO 2 HD3 PRO 2 15.212 -5.575 16.226 23 H CYS 3 H CYS 3 16.991 -6.580 12.890 24 HA CYS 3 HA CYS 3 18.957 -8.379 11.603 25 HB2 CYS 3 HB2 CYS 3 16.809 -7.242 9.824 26 HB3 CYS 3 HB3 CYS 3 17.809 -8.669 9.638 27 H LYS 4 H LYS 4 19.695 -7.159 9.443 28 HA LYS 4 HA LYS 4 20.697 -4.503 10.361 29 HB2 LYS 4 HB2 LYS 4 21.553 -6.224 8.018 30 HB3 LYS 4 HB3 LYS 4 22.399 -4.812 8.651 31 HG2 LYS 4 HG2 LYS 4 22.039 -7.519 10.030 32 HG3 LYS 4 HG3 LYS 4 23.499 -6.950 9.246 33 HD2 LYS 4 HD2 LYS 4 22.266 -5.646 11.717 34 HD3 LYS 4 HD3 LYS 4 23.564 -6.845 11.726 35 HE2 LYS 4 HE2 LYS 4 24.930 -5.318 10.253 36 HE3 LYS 4 HE3 LYS 4 23.679 -4.082 10.440 37 HZ1 LYS 4 HZ1 LYS 4 25.248 -5.288 12.662 38 HZ2 LYS 4 HZ2 LYS 4 24.088 -4.148 12.850 39 HZ3 LYS 4 HZ3 LYS 4 25.468 -3.790 12.056 40 H TYR 5 H TYR 5 19.990 -2.674 9.470 41 HA TYR 5 HA TYR 5 18.759 -2.676 6.767 42 HB2 TYR 5 HB2 TYR 5 17.535 -1.205 9.112 43 HB3 TYR 5 HB3 TYR 5 16.921 -1.265 7.475 44 HD1 TYR 5 HD1 TYR 5 17.314 -3.122 10.639 45 HD2 TYR 5 HD2 TYR 5 15.614 -3.259 6.656 46 HE1 TYR 5 HE1 TYR 5 15.758 -4.914 11.355 47 HE2 TYR 5 HE2 TYR 5 14.036 -5.012 7.414 48 HH TYR 5 HH TYR 5 14.014 -6.286 10.745 49 H LYS 6 H LYS 6 18.661 -0.580 5.769 50 HA LYS 6 HA LYS 6 20.809 1.311 6.662 51 HB2 LYS 6 HB2 LYS 6 21.136 1.913 4.353 52 HB3 LYS 6 HB3 LYS 6 21.350 0.189 4.585 53 HG2 LYS 6 HG2 LYS 6 18.583 0.757 3.821 54 HG3 LYS 6 HG3 LYS 6 19.676 1.544 2.700 55 HD2 LYS 6 HD2 LYS 6 19.790 -1.423 3.411 56 HD3 LYS 6 HD3 LYS 6 18.927 -0.751 2.030 57 HE2 LYS 6 HE2 LYS 6 21.118 0.249 1.231 58 HE3 LYS 6 HE3 LYS 6 21.927 -0.694 2.492 59 HZ1 LYS 6 HZ1 LYS 6 20.308 -1.775 0.241 60 HZ2 LYS 6 HZ2 LYS 6 20.864 -2.705 1.457 61 HZ3 LYS 6 HZ3 LYS 6 21.915 -1.954 0.447 62 H LEU 7 H LEU 7 20.593 3.494 6.352 63 HA LEU 7 HA LEU 7 18.052 4.499 7.334 64 HB2 LEU 7 HB2 LEU 7 20.558 5.059 7.990 65 HB3 LEU 7 HB3 LEU 7 20.467 6.208 6.677 66 HG LEU 7 HG LEU 7 20.067 7.332 8.732 67 HD11 LEU 7 HD11 LEU 7 17.924 8.379 8.465 68 HD12 LEU 7 HD12 LEU 7 17.297 7.015 7.528 69 HD13 LEU 7 HD13 LEU 7 18.584 8.049 6.854 70 HD21 LEU 7 HD21 LEU 7 17.795 5.399 9.351 71 HD22 LEU 7 HD22 LEU 7 18.335 6.771 10.336 72 HD23 LEU 7 HD23 LEU 7 19.408 5.385 10.098 73 H LYS 8 H LYS 8 16.432 4.862 6.042 74 HA LYS 8 HA LYS 8 16.779 6.664 3.690 75 HB2 LYS 8 HB2 LYS 8 16.582 4.281 2.957 76 HB3 LYS 8 HB3 LYS 8 15.033 4.173 3.784 77 HG2 LYS 8 HG2 LYS 8 14.611 4.491 1.455 78 HG3 LYS 8 HG3 LYS 8 14.146 5.988 2.265 79 HD2 LYS 8 HD2 LYS 8 16.247 7.065 1.527 80 HD3 LYS 8 HD3 LYS 8 16.788 5.534 0.799 81 HE2 LYS 8 HE2 LYS 8 14.819 5.565 -0.714 82 HE3 LYS 8 HE3 LYS 8 14.272 7.079 0.016 83 HZ1 LYS 8 HZ1 LYS 8 15.505 7.475 -2.041 84 HZ2 LYS 8 HZ2 LYS 8 16.832 6.729 -1.458 85 HZ3 LYS 8 HZ3 LYS 8 16.320 8.132 -0.791 86 H LYS 9 H LYS 9 15.753 8.436 4.076 87 HA LYS 9 HA LYS 9 12.928 8.432 5.097 88 HB2 LYS 9 HB2 LYS 9 15.050 10.492 5.846 89 HB3 LYS 9 HB3 LYS 9 13.365 10.516 6.358 90 HG2 LYS 9 HG2 LYS 9 15.392 8.371 7.112 91 HG3 LYS 9 HG3 LYS 9 14.972 9.742 8.121 92 HD2 LYS 9 HD2 LYS 9 12.816 8.942 8.599 93 HD3 LYS 9 HD3 LYS 9 12.772 7.895 7.186 94 HE2 LYS 9 HE2 LYS 9 15.014 7.075 8.791 95 HE3 LYS 9 HE3 LYS 9 13.633 7.265 9.871 96 HZ1 LYS 9 HZ1 LYS 9 12.369 5.753 8.490 97 HZ2 LYS 9 HZ2 LYS 9 13.773 5.019 8.863 98 HZ3 LYS 9 HZ3 LYS 9 13.562 5.634 7.365 99 H SER 10 H SER 10 11.566 10.045 4.325 100 HA SER 10 HA SER 10 12.495 11.969 2.316 101 HB2 SER 10 HB2 SER 10 12.056 9.707 1.114 102 HB3 SER 10 HB3 SER 10 10.340 10.014 1.452 103 HG SER 10 HG SER 10 10.856 10.922 -0.550 104 H THR 11 H THR 11 10.416 13.099 1.354 105 HA THR 11 HA THR 11 8.156 13.170 3.220 106 HB THR 11 HB THR 11 9.442 15.826 2.550 107 HG1 THR 11 HG1 THR 11 9.866 14.099 4.732 108 HG21 THR 11 HG21 THR 11 6.995 15.659 3.159 109 HG22 THR 11 HG22 THR 11 7.947 16.598 4.333 110 HG23 THR 11 HG23 THR 11 7.471 14.922 4.701 111 H ASN 12 H ASN 12 6.570 12.705 1.864 112 HA ASN 12 HA ASN 12 5.795 14.320 -0.386 113 HB2 ASN 12 HB2 ASN 12 6.230 12.573 -2.192 114 HB3 ASN 12 HB3 ASN 12 7.620 13.429 -1.577 115 HD21 ASN 12 HD21 ASN 12 6.050 10.527 0.016 116 HD22 ASN 12 HD22 ASN 12 7.510 9.597 -0.280 117 H LYS 13 H LYS 13 4.097 13.248 -1.720 118 HA LYS 13 HA LYS 13 1.952 11.956 -0.310 119 HB2 LYS 13 HB2 LYS 13 1.077 11.643 -2.709 120 HB3 LYS 13 HB3 LYS 13 1.287 13.253 -2.087 121 HG2 LYS 13 HG2 LYS 13 3.639 12.234 -3.589 122 HG3 LYS 13 HG3 LYS 13 2.147 12.295 -4.519 123 HD2 LYS 13 HD2 LYS 13 1.789 14.647 -3.894 124 HD3 LYS 13 HD3 LYS 13 3.304 14.656 -2.979 125 HE2 LYS 13 HE2 LYS 13 4.559 14.069 -5.060 126 HE3 LYS 13 HE3 LYS 13 3.042 14.046 -5.966 127 HZ1 LYS 13 HZ1 LYS 13 4.176 16.445 -4.618 128 HZ2 LYS 13 HZ2 LYS 13 2.776 16.419 -5.464 129 HZ3 LYS 13 HZ3 LYS 13 4.195 16.164 -6.225 130 H PHE 14 H PHE 14 0.850 10.045 -1.289 131 HA PHE 14 HA PHE 14 2.600 7.745 -1.925 132 HB2 PHE 14 HB2 PHE 14 1.444 6.391 -0.113 133 HB3 PHE 14 HB3 PHE 14 2.638 7.555 0.425 134 HD1 PHE 14 HD1 PHE 14 -1.076 7.036 0.087 135 HD2 PHE 14 HD2 PHE 14 2.095 9.245 2.005 136 HE1 PHE 14 HE1 PHE 14 -2.737 8.161 1.551 137 HE2 PHE 14 HE2 PHE 14 0.421 10.328 3.491 138 HZ PHE 14 HZ PHE 14 -1.987 9.887 3.192 139 H CYS 15 H CYS 15 1.596 6.073 -2.953 140 HA CYS 15 HA CYS 15 -1.188 6.609 -3.924 141 HB2 CYS 15 HB2 CYS 15 0.637 6.581 -5.632 142 HB3 CYS 15 HB3 CYS 15 0.917 4.885 -5.258 143 H VAL 16 H VAL 16 -2.668 5.066 -3.945 144 HA VAL 16 HA VAL 16 -2.311 2.410 -2.631 145 HB VAL 16 HB VAL 16 -4.179 2.888 -1.038 146 HG11 VAL 16 HG11 VAL 16 -1.690 4.571 -0.570 147 HG12 VAL 16 HG12 VAL 16 -2.873 4.071 0.649 148 HG13 VAL 16 HG13 VAL 16 -1.905 2.848 -0.189 149 HG21 VAL 16 HG21 VAL 16 -3.603 5.835 -1.502 150 HG22 VAL 16 HG22 VAL 16 -4.977 4.980 -2.216 151 HG23 VAL 16 HG23 VAL 16 -4.828 5.097 -0.448 152 H THR 17 H THR 17 -4.644 1.300 -2.442 153 HA THR 17 HA THR 17 -6.315 2.110 -4.823 154 HB THR 17 HB THR 17 -6.130 -0.715 -3.838 155 HG1 THR 17 HG1 THR 17 -4.507 0.496 -5.832 156 HG21 THR 17 HG21 THR 17 -7.925 -0.167 -5.419 157 HG22 THR 17 HG22 THR 17 -6.759 -1.328 -6.067 158 HG23 THR 17 HG23 THR 17 -6.684 0.357 -6.600 159 H CYS 18 H CYS 18 -8.364 2.702 -4.342 160 HA CYS 18 HA CYS 18 -9.502 2.150 -1.681 161 HB2 CYS 18 HB2 CYS 18 -9.585 4.413 -2.848 162 HB3 CYS 18 HB3 CYS 18 -10.743 3.687 -3.954 163 H GLU 19 H GLU 19 -10.958 0.662 -1.311 164 HA GLU 19 HA GLU 19 -12.642 -0.440 -3.491 165 HB2 GLU 19 HB2 GLU 19 -10.594 -1.924 -3.076 166 HB3 GLU 19 HB3 GLU 19 -11.282 -2.271 -1.484 167 HG2 GLU 19 HG2 GLU 19 -13.422 -2.976 -2.675 168 HG3 GLU 19 HG3 GLU 19 -12.564 -2.799 -4.203 169 H ASN 20 H ASN 20 -14.586 0.101 -2.871 170 HA ASN 20 HA ASN 20 -16.451 0.573 -1.667 171 HB2 ASN 20 HB2 ASN 20 -15.409 -1.593 0.191 172 HB3 ASN 20 HB3 ASN 20 -16.948 -0.775 0.401 173 HD21 ASN 20 HD21 ASN 20 -15.158 -2.568 -2.210 174 HD22 ASN 20 HD22 ASN 20 -16.637 -3.337 -2.776 175 H GLN 21 H GLN 21 -14.829 2.485 -1.617 176 HA GLN 21 HA GLN 21 -14.516 4.544 -0.736 177 HB2 GLN 21 HB2 GLN 21 -16.463 3.775 1.461 178 HB3 GLN 21 HB3 GLN 21 -16.020 5.388 0.908 179 HG2 GLN 21 HG2 GLN 21 -17.927 5.239 -0.298 180 HG3 GLN 21 HG3 GLN 21 -16.903 4.369 -1.440 181 HE21 GLN 21 HE21 GLN 21 -18.031 2.584 -2.201 182 HE22 GLN 21 HE22 GLN 21 -19.117 1.645 -1.176 183 H ALA 22 H ALA 22 -12.584 2.528 0.123 184 HA ALA 22 HA ALA 22 -11.322 3.911 2.279 185 HB1 ALA 22 HB1 ALA 22 -11.333 2.060 3.879 186 HB2 ALA 22 HB2 ALA 22 -12.990 2.544 3.535 187 HB3 ALA 22 HB3 ALA 22 -12.340 1.077 2.773 188 HA PRO 23 HA PRO 23 -8.124 1.957 -0.209 189 HB2 PRO 23 HB2 PRO 23 -5.915 3.035 0.888 190 HB3 PRO 23 HB3 PRO 23 -7.141 3.981 -0.045 191 HG2 PRO 23 HG2 PRO 23 -6.975 3.702 2.974 192 HG3 PRO 23 HG3 PRO 23 -7.033 5.204 2.007 193 HD2 PRO 23 HD2 PRO 23 -9.273 4.044 3.077 194 HD3 PRO 23 HD3 PRO 23 -9.307 4.878 1.492 195 H VAL 24 H VAL 24 -8.101 -0.199 0.053 196 HA VAL 24 HA VAL 24 -7.178 -1.413 2.604 197 HB VAL 24 HB VAL 24 -8.230 -3.433 1.936 198 HG11 VAL 24 HG11 VAL 24 -9.694 -1.460 2.769 199 HG12 VAL 24 HG12 VAL 24 -10.297 -1.373 1.121 200 HG13 VAL 24 HG13 VAL 24 -10.487 -2.873 2.059 201 HG21 VAL 24 HG21 VAL 24 -8.968 -2.133 -0.726 202 HG22 VAL 24 HG22 VAL 24 -7.791 -3.441 -0.498 203 HG23 VAL 24 HG23 VAL 24 -9.491 -3.731 -0.131 204 H HIS 25 H HIS 25 -5.480 -0.250 0.166 205 HA HIS 25 HA HIS 25 -3.583 -2.540 -0.008 206 HB2 HIS 25 HB2 HIS 25 -5.411 -2.815 -1.790 207 HB3 HIS 25 HB3 HIS 25 -4.928 -1.252 -2.381 208 HD1 HIS 25 HD1 HIS 25 -3.610 -1.526 -4.542 209 HD2 HIS 25 HD2 HIS 25 -2.786 -4.462 -1.600 210 HE1 HIS 25 HE1 HIS 25 -1.704 -3.007 -5.480 211 HE2 HIS 25 HE2 HIS 25 -1.178 -4.746 -3.696 212 H PHE 26 H PHE 26 -1.500 -1.914 -0.511 213 HA PHE 26 HA PHE 26 -0.966 0.993 -0.848 214 HB2 PHE 26 HB2 PHE 26 0.089 -0.219 1.079 215 HB3 PHE 26 HB3 PHE 26 0.854 -1.318 -0.050 216 HD1 PHE 26 HD2 PHE 26 0.529 2.473 -0.084 217 HD2 PHE 26 HD1 PHE 26 3.178 -0.940 0.206 218 HE1 PHE 26 HE2 PHE 26 2.475 3.965 -0.240 219 HE2 PHE 26 HE1 PHE 26 5.127 0.577 0.029 220 HZ PHE 26 HZ PHE 26 4.778 3.021 -0.202 221 H VAL 27 H VAL 27 0.014 1.815 -2.634 222 HA VAL 27 HA VAL 27 0.802 -0.088 -4.831 223 HB VAL 27 HB VAL 27 -0.186 2.761 -5.073 224 HG11 VAL 27 HG11 VAL 27 0.602 0.755 -7.219 225 HG12 VAL 27 HG12 VAL 27 -0.196 2.316 -7.510 226 HG13 VAL 27 HG13 VAL 27 1.431 2.275 -6.826 227 HG21 VAL 27 HG21 VAL 27 -1.487 0.177 -5.996 228 HG22 VAL 27 HG22 VAL 27 -1.997 1.110 -4.572 229 HG23 VAL 27 HG23 VAL 27 -2.118 1.833 -6.181 230 H GLY 28 H GLY 28 1.754 3.163 -3.463 231 HA2 GLY 28 HA2 GLY 28 4.558 2.617 -3.698 232 HA3 GLY 28 HA3 GLY 28 3.993 3.443 -5.157 233 H VAL 29 H VAL 29 5.714 4.862 -4.277 234 HA VAL 29 HA VAL 29 4.715 6.902 -2.307 235 HB VAL 29 HB VAL 29 7.573 5.920 -2.627 236 HG11 VAL 29 HG11 VAL 29 7.947 7.208 -0.543 237 HG12 VAL 29 HG12 VAL 29 7.490 8.237 -1.903 238 HG13 VAL 29 HG13 VAL 29 6.278 7.829 -0.652 239 HG21 VAL 29 HG21 VAL 29 6.289 4.171 -1.525 240 HG22 VAL 29 HG22 VAL 29 7.297 4.999 -0.345 241 HG23 VAL 29 HG23 VAL 29 5.554 5.357 -0.412 242 H GLY 30 H GLY 30 4.655 8.954 -3.072 243 HA2 GLY 30 HA2 GLY 30 4.899 10.742 -4.488 244 HA3 GLY 30 HA3 GLY 30 6.497 10.125 -4.883 245 H SER 31 H SER 31 4.188 7.811 -5.703 246 HA SER 31 HA SER 31 3.379 8.589 -8.347 247 HB2 SER 31 HB2 SER 31 4.852 7.062 -9.605 248 HB3 SER 31 HB3 SER 31 5.779 8.348 -8.829 249 HG SER 31 HG SER 31 6.305 6.860 -7.150 250 H CYS 32 H CYS 32 2.365 6.742 -9.492 251 HA CYS 32 HA CYS 32 1.475 4.521 -7.705 252 HB2 CYS 32 HB2 CYS 32 0.224 5.700 -10.197 253 HB3 CYS 32 HB3 CYS 32 -0.377 4.290 -9.336 254 H GLY 33 H GLY 33 2.764 2.824 -7.956 255 HA2 GLY 33 HA2 GLY 33 4.046 2.150 -10.565 256 HA3 GLY 33 HA3 GLY 33 4.497 1.546 -8.973 257 H SER 34 H SER 34 2.275 1.198 -11.655 258 HA SER 34 HA SER 34 1.375 -1.468 -10.625 259 HB2 SER 34 HB2 SER 34 -0.378 0.335 -10.476 260 HB3 SER 34 HB3 SER 34 -0.342 0.434 -12.247 261 HG SER 34 HG SER 34 -1.968 -1.007 -11.428 262 H GLY 35 H GLY 35 0.456 -2.826 -12.404 263 HA2 GLY 35 HA2 GLY 35 0.757 -4.059 -14.358 264 HA3 GLY 35 HA3 GLY 35 1.575 -2.684 -15.089 265 H GLY 36 H GLY 36 2.694 -4.759 -15.910 266 HA2 GLY 36 HA2 GLY 36 5.118 -5.079 -16.078 267 HA3 GLY 36 HA3 GLY 36 5.211 -5.230 -14.335 268 H SER 37 H SER 37 4.279 -7.135 -13.331 269 HA SER 37 HA SER 37 3.955 -9.553 -15.053 270 HB2 SER 37 HB2 SER 37 5.980 -9.263 -12.793 271 HB3 SER 37 HB3 SER 37 5.622 -10.764 -13.659 272 HG SER 37 HG SER 37 6.345 -9.716 -15.594 273 H GLY 38 H GLY 38 3.333 -11.484 -13.784 274 HA2 GLY 38 HA2 GLY 38 1.070 -10.945 -12.057 275 HA3 GLY 38 HA3 GLY 38 1.639 -12.515 -12.616 276 H ILE 39 H ILE 39 3.173 -10.020 -10.612 277 HA ILE 39 HA ILE 39 4.350 -11.924 -8.742 278 HB ILE 39 HB ILE 39 4.172 -8.894 -8.711 279 HG12 ILE 39 HG12 ILE 39 6.563 -10.668 -9.410 280 HG13 ILE 39 HG13 ILE 39 5.469 -10.027 -10.626 281 HG21 ILE 39 HG21 ILE 39 6.046 -8.967 -7.057 282 HG22 ILE 39 HG22 ILE 39 4.567 -9.642 -6.421 283 HG23 ILE 39 HG23 ILE 39 5.878 -10.729 -6.970 284 HD11 ILE 39 HD11 ILE 39 6.019 -7.703 -9.920 285 HD12 ILE 39 HD12 ILE 39 7.257 -8.366 -8.823 286 HD13 ILE 39 HD13 ILE 39 7.394 -8.620 -10.567 287 H PHE 40 H PHE 40 3.781 -12.364 -6.725 288 HA PHE 40 HA PHE 40 1.298 -11.230 -5.502 289 HB2 PHE 40 HB2 PHE 40 0.350 -13.322 -5.112 290 HB3 PHE 40 HB3 PHE 40 0.868 -13.359 -6.787 291 HD1 PHE 40 HD2 PHE 40 2.991 -14.662 -7.405 292 HD2 PHE 40 HD1 PHE 40 1.178 -14.887 -3.495 293 HE1 PHE 40 HE2 PHE 40 4.283 -16.728 -6.916 294 HE2 PHE 40 HE1 PHE 40 2.459 -16.955 -3.017 295 HZ PHE 40 HZ PHE 40 4.021 -17.876 -4.724 296 H LEU 41 H LEU 41 4.444 -11.389 -5.012 297 HA LEU 41 HA LEU 41 4.699 -12.420 -2.291 298 HB2 LEU 41 HB2 LEU 41 6.490 -10.856 -4.197 299 HB3 LEU 41 HB3 LEU 41 6.947 -11.111 -2.531 300 HG LEU 41 HG LEU 41 8.061 -12.678 -3.958 301 HD11 LEU 41 HD11 LEU 41 6.029 -14.176 -2.264 302 HD12 LEU 41 HD12 LEU 41 7.471 -13.343 -1.637 303 HD13 LEU 41 HD13 LEU 41 7.648 -14.715 -2.744 304 HD21 LEU 41 HD21 LEU 41 6.363 -12.935 -5.751 305 HD22 LEU 41 HD22 LEU 41 5.383 -13.940 -4.649 306 HD23 LEU 41 HD23 LEU 41 6.993 -14.475 -5.151 307 H GLU 42 H GLU 42 3.348 -9.657 -3.541 308 HA GLU 42 HA GLU 42 3.815 -7.653 -1.549 309 HB2 GLU 42 HB2 GLU 42 2.363 -7.934 -3.945 310 HB3 GLU 42 HB3 GLU 42 1.102 -7.766 -2.738 311 HG2 GLU 42 HG2 GLU 42 2.171 -5.658 -1.959 312 HG3 GLU 42 HG3 GLU 42 3.480 -5.906 -3.136 313 H THR 43 H THR 43 2.080 -6.875 -0.071 314 HA THR 43 HA THR 43 1.330 -8.920 1.831 315 HB THR 43 HB THR 43 0.350 -6.051 1.720 316 HG1 THR 43 HG1 THR 43 2.671 -7.158 2.922 317 HG21 THR 43 HG21 THR 43 0.301 -6.301 4.205 318 HG22 THR 43 HG22 THR 43 0.698 -8.025 4.028 319 HG23 THR 43 HG23 THR 43 -0.837 -7.390 3.399 320 H SER 44 H SER 44 -0.392 -7.460 -0.830 321 HA SER 44 HA SER 44 -2.492 -7.652 -1.682 322 HB2 SER 44 HB2 SER 44 -3.219 -9.899 -2.108 323 HB3 SER 44 HB3 SER 44 -1.469 -9.759 -2.261 324 HG SER 44 HG SER 44 -1.690 -10.475 0.167 325 H LEU 45 H LEU 45 -2.698 -6.511 0.840 326 HA LEU 45 HA LEU 45 -4.639 -7.498 2.597 327 HB2 LEU 45 HB2 LEU 45 -4.019 -4.669 1.712 328 HB3 LEU 45 HB3 LEU 45 -5.185 -4.987 2.977 329 HG LEU 45 HG LEU 45 -2.803 -6.411 3.709 330 HD11 LEU 45 HD11 LEU 45 -1.592 -4.955 2.077 331 HD12 LEU 45 HD12 LEU 45 -1.145 -4.554 3.748 332 HD13 LEU 45 HD13 LEU 45 -2.270 -3.521 2.859 333 HD21 LEU 45 HD21 LEU 45 -4.000 -3.802 4.683 334 HD22 LEU 45 HD22 LEU 45 -2.722 -4.702 5.537 335 HD23 LEU 45 HD23 LEU 45 -4.323 -5.417 5.326 336 H SER 46 H SER 46 -5.187 -6.296 -0.576 337 HA SER 46 HA SER 46 -7.956 -5.651 -0.647 338 HB2 SER 46 HB2 SER 46 -7.721 -6.518 -3.045 339 HB3 SER 46 HB3 SER 46 -6.668 -5.170 -2.556 340 HG SER 46 HG SER 46 -5.556 -6.860 -3.703 341 H ALA 47 H ALA 47 -6.389 -8.773 -0.597 342 HA ALA 47 HA ALA 47 -9.060 -10.120 -0.345 343 HB1 ALA 47 HB1 ALA 47 -8.085 -10.644 -2.507 344 HB2 ALA 47 HB2 ALA 47 -6.586 -11.207 -1.720 345 HB3 ALA 47 HB3 ALA 47 -8.120 -12.071 -1.447 346 H GLY 48 H GLY 48 -9.314 -10.470 1.685 347 HA2 GLY 48 HA2 GLY 48 -9.095 -11.960 3.541 348 HA3 GLY 48 HA3 GLY 48 -7.374 -12.128 3.232 349 H SER 49 H SER 49 -7.874 -8.843 3.065 350 HA SER 49 HA SER 49 -7.918 -8.336 5.993 351 HB2 SER 49 HB2 SER 49 -5.941 -6.966 4.164 352 HB3 SER 49 HB3 SER 49 -6.107 -6.772 5.896 353 HG SER 49 HG SER 49 -5.403 -9.230 4.644 354 H ASP 50 H ASP 50 -7.524 -5.464 5.710 355 HA ASP 50 HA ASP 50 -9.637 -4.428 4.067 356 HB2 ASP 50 HB2 ASP 50 -10.585 -5.630 6.309 357 HB3 ASP 50 HB3 ASP 50 -10.098 -4.111 7.039 358 H TRP 51 H TRP 51 -9.949 -2.127 4.765 359 HA TRP 51 HA TRP 51 -7.593 -0.483 4.949 360 HB2 TRP 51 HB2 TRP 51 -9.326 0.670 4.057 361 HB3 TRP 51 HB3 TRP 51 -10.543 -0.130 5.026 362 HD1 TRP 51 HD1 TRP 51 -11.510 1.131 7.009 363 HE1 TRP 51 HE1 TRP 51 -11.021 3.362 8.199 364 HE3 TRP 51 HE3 TRP 51 -7.018 2.241 4.840 365 HZ2 TRP 51 HZ2 TRP 51 -8.951 5.365 8.192 366 HZ3 TRP 51 HZ3 TRP 51 -5.781 4.297 5.473 367 HH2 TRP 51 HH2 TRP 51 -6.741 5.879 7.116 368 H LEU 52 H LEU 52 -9.821 -1.737 7.382 369 HA LEU 52 HA LEU 52 -9.026 -0.218 9.610 370 HB2 LEU 52 HB2 LEU 52 -10.943 -2.084 9.101 371 HB3 LEU 52 HB3 LEU 52 -9.831 -3.086 10.007 372 HG LEU 52 HG LEU 52 -11.566 -2.221 11.420 373 HD11 LEU 52 HD11 LEU 52 -9.069 -0.651 12.125 374 HD12 LEU 52 HD12 LEU 52 -9.275 -2.398 12.417 375 HD13 LEU 52 HD13 LEU 52 -10.331 -1.226 13.226 376 HD21 LEU 52 HD21 LEU 52 -12.145 -0.194 10.133 377 HD22 LEU 52 HD22 LEU 52 -10.689 0.615 10.754 378 HD23 LEU 52 HD23 LEU 52 -11.973 0.117 11.868 379 H THR 53 H THR 53 -7.665 -3.282 8.398 380 HA THR 53 HA THR 53 -5.487 -3.291 10.387 381 HB THR 53 HB THR 53 -4.799 -5.376 9.091 382 HG1 THR 53 HG1 THR 53 -6.653 -6.294 8.006 383 HG21 THR 53 HG21 THR 53 -6.526 -6.749 10.165 384 HG22 THR 53 HG22 THR 53 -7.568 -5.324 10.376 385 HG23 THR 53 HG23 THR 53 -6.020 -5.444 11.247 386 H PHE 54 H PHE 54 -5.871 -2.435 6.973 387 HA PHE 54 HA PHE 54 -3.229 -2.265 6.071 388 HB2 PHE 54 HB2 PHE 54 -5.117 -1.781 4.625 389 HB3 PHE 54 HB3 PHE 54 -5.618 -0.460 5.655 390 HD1 PHE 54 HD2 PHE 54 -3.233 -1.433 3.034 391 HD2 PHE 54 HD1 PHE 54 -4.662 1.737 5.576 392 HE1 PHE 54 HE2 PHE 54 -2.004 0.246 1.665 393 HE2 PHE 54 HE1 PHE 54 -3.454 3.405 4.180 394 HZ PHE 54 HZ PHE 54 -2.096 2.652 2.254 395 H GLN 55 H GLN 55 -4.921 0.109 8.066 396 HA GLN 55 HA GLN 55 -2.859 2.050 8.352 397 HB2 GLN 55 HB2 GLN 55 -5.045 1.133 10.257 398 HB3 GLN 55 HB3 GLN 55 -4.020 2.541 10.568 399 HG2 GLN 55 HG2 GLN 55 -4.937 3.784 8.794 400 HG3 GLN 55 HG3 GLN 55 -5.553 2.350 7.962 401 HE21 GLN 55 HE21 GLN 55 -7.486 1.379 8.608 402 HE22 GLN 55 HE22 GLN 55 -8.568 2.207 9.714 403 H LYS 56 H LYS 56 -3.694 -0.538 10.668 404 HA LYS 56 HA LYS 56 -1.318 -0.210 12.280 405 HB2 LYS 56 HB2 LYS 56 -2.959 -2.754 12.017 406 HB3 LYS 56 HB3 LYS 56 -1.826 -2.381 13.295 407 HG2 LYS 56 HG2 LYS 56 -3.321 -1.208 14.483 408 HG3 LYS 56 HG3 LYS 56 -3.753 -0.201 13.104 409 HD2 LYS 56 HD2 LYS 56 -5.216 -2.150 12.289 410 HD3 LYS 56 HD3 LYS 56 -4.885 -2.937 13.833 411 HE2 LYS 56 HE2 LYS 56 -7.001 -1.853 14.035 412 HE3 LYS 56 HE3 LYS 56 -5.858 -0.921 15.006 413 HZ1 LYS 56 HZ1 LYS 56 -7.303 0.482 13.598 414 HZ2 LYS 56 HZ2 LYS 56 -6.707 -0.224 12.238 415 HZ3 LYS 56 HZ3 LYS 56 -5.740 0.701 13.200 416 H LYS 57 H LYS 57 -1.700 -1.951 9.311 417 HA LYS 57 HA LYS 57 0.586 -3.648 9.458 418 HB2 LYS 57 HB2 LYS 57 -1.417 -3.579 7.729 419 HB3 LYS 57 HB3 LYS 57 -0.375 -2.496 6.831 420 HG2 LYS 57 HG2 LYS 57 0.256 -4.516 5.915 421 HG3 LYS 57 HG3 LYS 57 1.437 -4.423 7.219 422 HD2 LYS 57 HD2 LYS 57 -0.371 -5.746 8.629 423 HD3 LYS 57 HD3 LYS 57 -1.168 -6.003 7.076 424 HE2 LYS 57 HE2 LYS 57 0.088 -7.943 7.309 425 HE3 LYS 57 HE3 LYS 57 1.100 -6.954 6.247 426 HZ1 LYS 57 HZ1 LYS 57 1.448 -7.257 9.190 427 HZ2 LYS 57 HZ2 LYS 57 2.401 -6.320 8.242 428 HZ3 LYS 57 HZ3 LYS 57 2.395 -7.937 8.048 429 H HIS 58 H HIS 58 0.417 -0.379 7.880 430 HA HIS 58 HA HIS 58 3.323 -0.033 8.434 431 HB2 HIS 58 HB2 HIS 58 3.964 0.224 6.191 432 HB3 HIS 58 HB3 HIS 58 3.060 -1.281 6.244 433 HD1 HIS 58 HD1 HIS 58 3.184 1.987 4.550 434 HD2 HIS 58 HD2 HIS 58 0.262 -0.929 5.442 435 HE1 HIS 58 HE1 HIS 58 1.077 2.533 3.102 436 HE2 HIS 58 HE2 HIS 58 -0.686 0.753 3.695 437 H ILE 59 H ILE 59 0.838 1.411 9.262 438 HA ILE 59 HA ILE 59 1.738 4.178 8.535 439 HB ILE 59 HB ILE 59 -1.179 3.387 8.834 440 HG12 ILE 59 HG12 ILE 59 0.592 3.779 6.416 441 HG13 ILE 59 HG13 ILE 59 -0.566 2.503 6.745 442 HG21 ILE 59 HG21 ILE 59 -1.707 5.671 8.179 443 HG22 ILE 59 HG22 ILE 59 -0.728 5.701 9.610 444 HG23 ILE 59 HG23 ILE 59 0.019 6.058 8.033 445 HD11 ILE 59 HD11 ILE 59 -1.348 3.918 4.948 446 HD12 ILE 59 HD12 ILE 59 -2.428 4.129 6.353 447 HD13 ILE 59 HD13 ILE 59 -1.210 5.370 5.937 448 H THR 60 H THR 60 1.559 5.707 10.173 449 HA THR 60 HA THR 60 0.653 4.796 12.849 450 HB THR 60 HB THR 60 2.966 4.051 12.811 451 HG1 THR 60 HG1 THR 60 3.583 5.274 14.683 452 HG21 THR 60 HG21 THR 60 3.765 6.979 12.486 453 HG22 THR 60 HG22 THR 60 3.966 5.717 11.251 454 HG23 THR 60 HG23 THR 60 4.842 5.596 12.780 455 H ASN 61 H ASN 61 0.356 6.364 14.401 456 HA ASN 61 HA ASN 61 -0.106 9.133 13.488 457 HB2 ASN 61 HB2 ASN 61 -1.297 9.326 15.606 458 HB3 ASN 61 HB3 ASN 61 -1.907 7.966 14.683 459 HD21 ASN 61 HD21 ASN 61 -1.833 5.887 15.652 460 HD22 ASN 61 HD22 ASN 61 -1.112 5.643 17.236 461 H THR 62 H THR 62 2.480 7.395 14.691 462 HA THR 62 HA THR 62 4.031 9.770 15.266 463 HB THR 62 HB THR 62 2.979 9.582 17.430 464 HG1 THR 62 HG1 THR 62 5.035 10.243 17.556 465 HG21 THR 62 HG21 THR 62 3.128 7.758 18.930 466 HG22 THR 62 HG22 THR 62 4.170 6.823 17.851 467 HG23 THR 62 HG23 THR 62 2.468 7.101 17.422 468 H ARG 63 H ARG 63 5.864 9.329 14.122 469 HA ARG 63 HA ARG 63 6.804 6.624 13.608 470 HB2 ARG 63 HB2 ARG 63 7.265 8.490 12.035 471 HB3 ARG 63 HB3 ARG 63 8.295 9.251 13.271 472 HG2 ARG 63 HG2 ARG 63 9.685 7.078 13.242 473 HG3 ARG 63 HG3 ARG 63 8.638 6.542 11.919 474 HD2 ARG 63 HD2 ARG 63 10.588 7.343 10.926 475 HD3 ARG 63 HD3 ARG 63 9.368 8.576 10.617 476 HE ARG 63 HE ARG 63 11.720 8.718 12.460 477 HH11 ARG 63 HH11 ARG 63 8.994 10.521 11.219 478 HH12 ARG 63 HH12 ARG 63 9.641 12.042 11.771 479 HH21 ARG 63 HH21 ARG 63 12.486 10.664 13.127 480 HH22 ARG 63 HH22 ARG 63 11.568 12.108 12.825 481 H ASP 64 H ASP 64 7.288 5.458 15.319 482 HA ASP 64 HA ASP 64 9.337 6.422 17.269 483 HB2 ASP 64 HB2 ASP 64 7.008 5.837 18.058 484 HB3 ASP 64 HB3 ASP 64 7.319 4.172 17.571 485 H VAL 65 H VAL 65 9.371 4.716 14.549 486 HA VAL 65 HA VAL 65 10.919 2.358 15.299 487 HB VAL 65 HB VAL 65 9.534 2.227 13.364 488 HG11 VAL 65 HG11 VAL 65 11.160 4.501 12.150 489 HG12 VAL 65 HG12 VAL 65 10.047 3.457 11.257 490 HG13 VAL 65 HG13 VAL 65 9.420 4.487 12.541 491 HG21 VAL 65 HG21 VAL 65 11.031 1.251 11.798 492 HG22 VAL 65 HG22 VAL 65 12.376 2.267 12.312 493 HG23 VAL 65 HG23 VAL 65 11.728 0.989 13.391 494 H ASP 66 H ASP 66 13.038 2.029 15.261 495 HA ASP 66 HA ASP 66 14.926 4.095 14.213 496 HB2 ASP 66 HB2 ASP 66 14.693 4.072 16.744 497 HB3 ASP 66 HB3 ASP 66 15.373 2.446 16.722 498 H CYS 67 H CYS 67 13.741 1.414 13.330 499 HA CYS 67 HA CYS 67 14.215 -0.621 12.469 500 HB2 CYS 67 HB2 CYS 67 16.722 0.660 11.401 501 HB3 CYS 67 HB3 CYS 67 15.736 -0.616 10.679 502 H ASP 68 H ASP 68 14.795 -0.546 15.044 503 HA ASP 68 HA ASP 68 16.998 -2.444 15.561 504 HB2 ASP 68 HB2 ASP 68 18.059 -0.295 15.833 505 HB3 ASP 68 HB3 ASP 68 16.696 0.328 16.765 506 H ASN 69 H ASN 69 14.200 -0.660 16.901 507 HA ASN 69 HA ASN 69 13.902 -2.573 19.112 508 HB2 ASN 69 HB2 ASN 69 12.274 -1.040 20.013 509 HB3 ASN 69 HB3 ASN 69 13.828 -0.270 19.718 510 HD21 ASN 69 HD21 ASN 69 13.897 1.472 18.410 511 HD22 ASN 69 HD22 ASN 69 12.448 2.161 17.665 512 H ILE 70 H ILE 70 12.775 -2.350 15.924 513 HA ILE 70 HA ILE 70 10.053 -3.038 16.195 514 HB ILE 70 HB ILE 70 10.105 -3.598 13.859 515 HG12 ILE 70 HG12 ILE 70 13.125 -3.748 14.200 516 HG13 ILE 70 HG13 ILE 70 12.006 -4.972 13.577 517 HG21 ILE 70 HG21 ILE 70 10.215 -1.219 14.686 518 HG22 ILE 70 HG22 ILE 70 11.962 -1.234 14.362 519 HG23 ILE 70 HG23 ILE 70 10.795 -1.445 13.035 520 HD11 ILE 70 HD11 ILE 70 13.265 -4.060 11.756 521 HD12 ILE 70 HD12 ILE 70 11.583 -3.519 11.593 522 HD13 ILE 70 HD13 ILE 70 12.835 -2.404 12.211 523 H MET 71 H MET 71 12.697 -4.911 16.935 524 HA MET 71 HA MET 71 11.688 -7.608 16.686 525 HB2 MET 71 HB2 MET 71 13.237 -8.158 18.495 526 HB3 MET 71 HB3 MET 71 14.003 -7.153 17.276 527 HG2 MET 71 HG2 MET 71 13.664 -5.151 18.746 528 HG3 MET 71 HG3 MET 71 13.013 -6.225 19.992 529 HE1 MET 71 HE1 MET 71 14.684 -5.263 21.725 530 HE2 MET 71 HE2 MET 71 16.446 -5.186 21.502 531 HE3 MET 71 HE3 MET 71 15.379 -4.166 20.507 532 H SER 72 H SER 72 10.654 -4.991 18.714 533 HA SER 72 HA SER 72 8.967 -6.790 20.402 534 HB2 SER 72 HB2 SER 72 10.772 -5.317 21.436 535 HB3 SER 72 HB3 SER 72 9.772 -3.927 20.990 536 HG SER 72 HG SER 72 8.056 -4.951 22.225 537 H THR 73 H THR 73 8.599 -4.888 17.682 538 HA THR 73 HA THR 73 5.817 -4.023 18.363 539 HB THR 73 HB THR 73 5.833 -2.639 16.424 540 HG1 THR 73 HG1 THR 73 7.754 -2.495 15.163 541 HG21 THR 73 HG21 THR 73 7.576 -1.014 16.888 542 HG22 THR 73 HG22 THR 73 8.524 -2.206 17.795 543 HG23 THR 73 HG23 THR 73 6.955 -1.654 18.419 544 H ASN 74 H ASN 74 4.504 -4.180 16.047 545 HA ASN 74 HA ASN 74 4.052 -6.976 15.537 546 HB2 ASN 74 HB2 ASN 74 3.248 -4.610 13.785 547 HB3 ASN 74 HB3 ASN 74 2.514 -6.205 13.818 548 HD21 ASN 74 HD21 ASN 74 2.245 -3.046 15.007 549 HD22 ASN 74 HD22 ASN 74 1.093 -3.422 16.281 550 H LEU 75 H LEU 75 6.441 -4.855 14.264 551 HA LEU 75 HA LEU 75 6.574 -6.085 11.602 552 HB2 LEU 75 HB2 LEU 75 8.041 -3.727 12.844 553 HB3 LEU 75 HB3 LEU 75 8.111 -4.205 11.170 554 HG LEU 75 HG LEU 75 6.710 -2.460 11.044 555 HD11 LEU 75 HD11 LEU 75 5.655 -4.407 9.960 556 HD12 LEU 75 HD12 LEU 75 4.490 -3.186 10.496 557 HD13 LEU 75 HD13 LEU 75 4.680 -4.678 11.427 558 HD21 LEU 75 HD21 LEU 75 5.179 -3.266 13.532 559 HD22 LEU 75 HD22 LEU 75 4.877 -1.857 12.508 560 HD23 LEU 75 HD23 LEU 75 6.395 -1.978 13.403 561 H PHE 76 H PHE 76 7.689 -7.418 14.153 562 HA PHE 76 HA PHE 76 10.509 -7.652 14.028 563 HB2 PHE 76 HB2 PHE 76 10.250 -9.294 15.693 564 HB3 PHE 76 HB3 PHE 76 9.016 -8.090 16.004 565 HD1 PHE 76 HD1 PHE 76 6.584 -8.610 15.355 566 HD2 PHE 76 HD2 PHE 76 9.697 -11.586 15.306 567 HE1 PHE 76 HE1 PHE 76 4.866 -10.396 15.388 568 HE2 PHE 76 HE2 PHE 76 7.975 -13.380 15.350 569 HZ PHE 76 HZ PHE 76 5.557 -12.788 15.390 570 H HIS 77 H HIS 77 8.364 -8.816 11.814 571 HA HIS 77 HA HIS 77 9.068 -11.516 11.371 572 HB2 HIS 77 HB2 HIS 77 7.023 -10.232 10.603 573 HB3 HIS 77 HB3 HIS 77 8.003 -9.534 9.317 574 HD1 HIS 77 HD1 HIS 77 6.786 -13.024 10.532 575 HD2 HIS 77 HD2 HIS 77 8.218 -10.968 7.127 576 HE1 HIS 77 HE1 HIS 77 6.583 -14.662 8.557 577 HE2 HIS 77 HE2 HIS 77 7.438 -13.405 6.475 578 H CYS 78 H CYS 78 11.195 -9.063 10.986 579 HA CYS 78 HA CYS 78 13.137 -8.643 9.820 580 HB2 CYS 78 HB2 CYS 78 13.505 -10.947 10.878 581 HB3 CYS 78 HB3 CYS 78 13.285 -11.605 9.260 582 H LYS 79 H LYS 79 10.794 -8.341 8.311 583 HA LYS 79 HA LYS 79 10.987 -9.380 5.625 584 HB2 LYS 79 HB2 LYS 79 9.312 -7.526 5.103 585 HB3 LYS 79 HB3 LYS 79 8.861 -8.760 6.260 586 HG2 LYS 79 HG2 LYS 79 8.047 -6.717 7.097 587 HG3 LYS 79 HG3 LYS 79 9.358 -7.214 8.145 588 HD2 LYS 79 HD2 LYS 79 10.372 -5.497 6.010 589 HD3 LYS 79 HD3 LYS 79 8.982 -4.747 6.746 590 HE2 LYS 79 HE2 LYS 79 11.445 -5.731 8.275 591 HE3 LYS 79 HE3 LYS 79 11.204 -4.082 7.706 592 HZ1 LYS 79 HZ1 LYS 79 9.572 -5.484 9.758 593 HZ2 LYS 79 HZ2 LYS 79 9.109 -4.054 9.076 594 HZ3 LYS 79 HZ3 LYS 79 10.495 -4.160 9.950 595 H ASP 80 H ASP 80 11.433 -8.277 3.693 596 HA ASP 80 HA ASP 80 14.075 -7.286 3.660 597 HB2 ASP 80 HB2 ASP 80 11.950 -7.187 1.479 598 HB3 ASP 80 HB3 ASP 80 13.671 -6.912 1.223 599 H LYS 81 H LYS 81 11.097 -5.437 3.576 600 HA LYS 81 HA LYS 81 12.386 -3.185 4.698 601 HB2 LYS 81 HB2 LYS 81 11.849 -1.457 2.987 602 HB3 LYS 81 HB3 LYS 81 13.068 -2.585 2.414 603 HG2 LYS 81 HG2 LYS 81 11.556 -3.740 1.020 604 HG3 LYS 81 HG3 LYS 81 10.144 -2.895 1.708 605 HD2 LYS 81 HD2 LYS 81 11.322 -0.712 0.877 606 HD3 LYS 81 HD3 LYS 81 12.271 -1.796 -0.151 607 HE2 LYS 81 HE2 LYS 81 9.227 -1.561 -0.098 608 HE3 LYS 81 HE3 LYS 81 10.290 -0.787 -1.274 609 HZ1 LYS 81 HZ1 LYS 81 9.995 -3.724 -0.931 610 HZ2 LYS 81 HZ2 LYS 81 11.010 -3.004 -1.994 611 HZ3 LYS 81 HZ3 LYS 81 9.395 -2.841 -2.164 612 H ASN 82 H ASN 82 10.860 -1.419 5.213 613 HA ASN 82 HA ASN 82 8.016 -2.003 4.613 614 HB2 ASN 82 HB2 ASN 82 8.689 -2.558 7.094 615 HB3 ASN 82 HB3 ASN 82 8.751 -0.811 7.305 616 HD21 ASN 82 HD21 ASN 82 7.005 -1.624 8.936 617 HD22 ASN 82 HD22 ASN 82 5.373 -1.778 8.318 618 H THR 83 H THR 83 6.701 -0.093 4.521 619 HA THR 83 HA THR 83 8.187 2.502 4.297 620 HB THR 83 HB THR 83 5.831 1.588 2.621 621 HG1 THR 83 HG1 THR 83 8.538 2.127 1.936 622 HG21 THR 83 HG21 THR 83 6.327 3.695 1.373 623 HG22 THR 83 HG22 THR 83 7.499 4.137 2.640 624 HG23 THR 83 HG23 THR 83 5.771 4.007 3.021 625 H PHE 84 H PHE 84 7.760 3.256 6.321 626 HA PHE 84 HA PHE 84 5.067 3.171 7.460 627 HB2 PHE 84 HB2 PHE 84 7.547 4.522 8.474 628 HB3 PHE 84 HB3 PHE 84 6.014 4.444 9.318 629 HD1 PHE 84 HD1 PHE 84 5.044 1.950 9.644 630 HD2 PHE 84 HD2 PHE 84 9.187 3.013 9.043 631 HE1 PHE 84 HE1 PHE 84 5.743 -0.120 10.818 632 HE2 PHE 84 HE2 PHE 84 9.876 0.831 10.032 633 HZ PHE 84 HZ PHE 84 8.167 -0.686 11.026 634 H ILE 85 H ILE 85 3.583 4.634 7.188 635 HA ILE 85 HA ILE 85 4.205 7.354 6.077 636 HB ILE 85 HB ILE 85 1.642 5.735 6.209 637 HG12 ILE 85 HG12 ILE 85 3.185 6.653 3.736 638 HG13 ILE 85 HG13 ILE 85 3.380 5.057 4.459 639 HG21 ILE 85 HG21 ILE 85 1.159 8.143 6.486 640 HG22 ILE 85 HG22 ILE 85 2.047 8.500 4.989 641 HG23 ILE 85 HG23 ILE 85 0.550 7.537 4.961 642 HD11 ILE 85 HD11 ILE 85 0.938 4.641 4.180 643 HD12 ILE 85 HD12 ILE 85 0.822 6.146 3.246 644 HD13 ILE 85 HD13 ILE 85 1.837 4.823 2.653 645 H TYR 86 H TYR 86 4.559 8.786 7.735 646 HA TYR 86 HA TYR 86 3.033 8.569 10.253 647 HB2 TYR 86 HB2 TYR 86 5.356 9.201 10.359 648 HB3 TYR 86 HB3 TYR 86 5.058 10.546 9.272 649 HD1 TYR 86 HD1 TYR 86 2.442 10.068 11.846 650 HD2 TYR 86 HD2 TYR 86 6.293 11.861 11.012 651 HE1 TYR 86 HE1 TYR 86 2.115 11.675 13.688 652 HE2 TYR 86 HE2 TYR 86 5.966 13.426 12.910 653 HH TYR 86 HH TYR 86 4.550 14.141 14.565 654 H SER 87 H SER 87 0.904 8.720 9.530 655 HA SER 87 HA SER 87 -0.056 11.482 9.081 656 HB2 SER 87 HB2 SER 87 -0.786 9.187 7.208 657 HB3 SER 87 HB3 SER 87 -1.570 10.773 7.232 658 HG SER 87 HG SER 87 1.123 11.029 7.114 659 H ARG 88 H ARG 88 -2.324 11.733 9.391 660 HA ARG 88 HA ARG 88 -3.638 9.926 11.330 661 HB2 ARG 88 HB2 ARG 88 -4.528 12.493 9.909 662 HB3 ARG 88 HB3 ARG 88 -5.499 11.627 11.094 663 HG2 ARG 88 HG2 ARG 88 -3.521 11.893 12.732 664 HG3 ARG 88 HG3 ARG 88 -2.821 12.998 11.545 665 HD2 ARG 88 HD2 ARG 88 -3.938 14.352 13.112 666 HD3 ARG 88 HD3 ARG 88 -4.966 14.352 11.668 667 HE ARG 88 HE ARG 88 -5.809 12.251 13.435 668 HH11 ARG 88 HH11 ARG 88 -5.906 15.739 13.373 669 HH12 ARG 88 HH12 ARG 88 -7.311 15.812 14.404 670 HH21 ARG 88 HH21 ARG 88 -7.602 12.394 14.719 671 HH22 ARG 88 HH22 ARG 88 -8.240 13.954 15.138 672 HA PRO 89 HA PRO 89 -5.824 7.587 8.294 673 HB2 PRO 89 HB2 PRO 89 -8.358 7.235 9.344 674 HB3 PRO 89 HB3 PRO 89 -6.884 6.414 9.944 675 HG2 PRO 89 HG2 PRO 89 -8.199 8.925 11.021 676 HG3 PRO 89 HG3 PRO 89 -7.651 7.480 11.935 677 HD2 PRO 89 HD2 PRO 89 -6.110 9.685 11.784 678 HD3 PRO 89 HD3 PRO 89 -5.370 8.066 11.667 679 H GLU 90 H GLU 90 -7.168 10.732 9.094 680 HA GLU 90 HA GLU 90 -9.376 10.737 7.267 681 HB2 GLU 90 HB2 GLU 90 -7.841 12.987 8.604 682 HB3 GLU 90 HB3 GLU 90 -9.212 13.257 7.515 683 HG2 GLU 90 HG2 GLU 90 -10.643 11.850 8.972 684 HG3 GLU 90 HG3 GLU 90 -9.280 11.588 10.066 685 HA PRO 91 HA PRO 91 -6.723 12.889 3.943 686 HB2 PRO 91 HB2 PRO 91 -3.979 12.967 4.122 687 HB3 PRO 91 HB3 PRO 91 -5.039 14.226 4.818 688 HG2 PRO 91 HG2 PRO 91 -3.777 11.843 6.204 689 HG3 PRO 91 HG3 PRO 91 -3.806 13.551 6.750 690 HD2 PRO 91 HD2 PRO 91 -5.558 11.729 7.691 691 HD3 PRO 91 HD3 PRO 91 -6.076 13.397 7.391 692 H VAL 92 H VAL 92 -6.238 9.893 5.247 693 HA VAL 92 HA VAL 92 -5.027 8.673 2.781 694 HB VAL 92 HB VAL 92 -5.615 7.346 5.455 695 HG11 VAL 92 HG11 VAL 92 -3.827 6.553 3.115 696 HG12 VAL 92 HG12 VAL 92 -3.962 5.681 4.653 697 HG13 VAL 92 HG13 VAL 92 -5.360 5.785 3.575 698 HG21 VAL 92 HG21 VAL 92 -3.274 7.545 6.053 699 HG22 VAL 92 HG22 VAL 92 -2.910 8.404 4.550 700 HG23 VAL 92 HG23 VAL 92 -3.905 9.167 5.798 701 H LYS 93 H LYS 93 -7.787 8.175 5.022 702 HA LYS 93 HA LYS 93 -9.151 6.414 3.205 703 HB2 LYS 93 HB2 LYS 93 -9.477 6.950 5.849 704 HB3 LYS 93 HB3 LYS 93 -10.791 7.932 5.193 705 HG2 LYS 93 HG2 LYS 93 -11.231 5.677 3.771 706 HG3 LYS 93 HG3 LYS 93 -10.385 4.937 5.133 707 HD2 LYS 93 HD2 LYS 93 -12.947 6.610 5.289 708 HD3 LYS 93 HD3 LYS 93 -12.830 4.853 5.281 709 HE2 LYS 93 HE2 LYS 93 -13.085 5.203 7.497 710 HE3 LYS 93 HE3 LYS 93 -11.332 5.072 7.344 711 HZ1 LYS 93 HZ1 LYS 93 -12.835 7.625 7.556 712 HZ2 LYS 93 HZ2 LYS 93 -11.200 7.502 7.464 713 HZ3 LYS 93 HZ3 LYS 93 -11.995 6.923 8.765 714 H ALA 94 H ALA 94 -9.519 9.898 3.780 715 HA ALA 94 HA ALA 94 -11.909 10.150 2.180 716 HB1 ALA 94 HB1 ALA 94 -11.715 12.507 2.686 717 HB2 ALA 94 HB2 ALA 94 -11.341 11.570 4.147 718 HB3 ALA 94 HB3 ALA 94 -10.026 12.309 3.192 719 H ILE 95 H ILE 95 -8.706 9.838 1.146 720 HA ILE 95 HA ILE 95 -8.552 11.473 -1.139 721 HB ILE 95 HB ILE 95 -7.646 8.576 -0.940 722 HG12 ILE 95 HG12 ILE 95 -6.023 11.088 -0.307 723 HG13 ILE 95 HG13 ILE 95 -6.765 10.067 0.915 724 HG21 ILE 95 HG21 ILE 95 -6.526 10.843 -2.665 725 HG22 ILE 95 HG22 ILE 95 -6.024 9.136 -2.671 726 HG23 ILE 95 HG23 ILE 95 -7.604 9.580 -3.272 727 HD11 ILE 95 HD11 ILE 95 -4.456 9.468 0.744 728 HD12 ILE 95 HD12 ILE 95 -5.425 8.118 0.138 729 HD13 ILE 95 HD13 ILE 95 -4.568 9.193 -0.995 730 H CYS 96 H CYS 96 -10.464 8.550 -0.593 731 HA CYS 96 HA CYS 96 -11.806 8.896 -3.239 732 HB2 CYS 96 HB2 CYS 96 -12.445 6.537 -3.036 733 HB3 CYS 96 HB3 CYS 96 -10.707 6.795 -3.195 734 H LYS 97 H LYS 97 -14.023 8.499 -3.342 735 HA LYS 97 HA LYS 97 -15.729 8.425 -0.956 736 HB2 LYS 97 HB2 LYS 97 -15.017 10.835 -1.275 737 HB3 LYS 97 HB3 LYS 97 -15.867 10.856 -2.808 738 HG2 LYS 97 HG2 LYS 97 -17.182 10.201 -0.124 739 HG3 LYS 97 HG3 LYS 97 -17.029 11.833 -0.771 740 HD2 LYS 97 HD2 LYS 97 -18.341 11.121 -2.800 741 HD3 LYS 97 HD3 LYS 97 -18.653 9.566 -1.991 742 HE2 LYS 97 HE2 LYS 97 -19.680 10.752 -0.080 743 HE3 LYS 97 HE3 LYS 97 -19.358 12.305 -0.859 744 HZ1 LYS 97 HZ1 LYS 97 -20.830 11.626 -2.680 745 HZ2 LYS 97 HZ2 LYS 97 -21.635 11.580 -1.262 746 HZ3 LYS 97 HZ3 LYS 97 -21.138 10.191 -1.957 747 H GLY 98 H GLY 98 -16.990 6.775 -1.567 748 HA2 GLY 98 HA2 GLY 98 -18.801 5.767 -2.670 749 HA3 GLY 98 HA3 GLY 98 -18.713 6.977 -3.941 750 H ILE 99 H ILE 99 -15.637 5.674 -3.546 751 HA ILE 99 HA ILE 99 -15.773 4.286 -6.097 752 HB ILE 99 HB ILE 99 -13.459 4.709 -4.176 753 HG12 ILE 99 HG12 ILE 99 -14.333 6.085 -6.761 754 HG13 ILE 99 HG13 ILE 99 -14.334 6.780 -5.143 755 HG21 ILE 99 HG21 ILE 99 -13.483 3.560 -7.016 756 HG22 ILE 99 HG22 ILE 99 -12.036 3.998 -6.097 757 HG23 ILE 99 HG23 ILE 99 -13.029 2.686 -5.523 758 HD11 ILE 99 HD11 ILE 99 -11.943 6.174 -6.891 759 HD12 ILE 99 HD12 ILE 99 -12.464 7.718 -6.192 760 HD13 ILE 99 HD13 ILE 99 -11.779 6.461 -5.149 761 H ILE 100 H ILE 100 -16.482 2.359 -6.332 762 HA ILE 100 HA ILE 100 -15.856 0.155 -4.396 763 HB ILE 100 HB ILE 100 -18.008 0.048 -6.530 764 HG12 ILE 100 HG12 ILE 100 -18.247 1.128 -3.691 765 HG13 ILE 100 HG13 ILE 100 -18.593 1.994 -5.191 766 HG21 ILE 100 HG21 ILE 100 -17.796 -1.358 -3.843 767 HG22 ILE 100 HG22 ILE 100 -18.931 -1.725 -5.154 768 HG23 ILE 100 HG23 ILE 100 -17.234 -2.092 -5.361 769 HD11 ILE 100 HD11 ILE 100 -20.671 1.469 -4.189 770 HD12 ILE 100 HD12 ILE 100 -20.500 0.432 -5.621 771 HD13 ILE 100 HD13 ILE 100 -20.249 -0.234 -3.983 772 H ALA 101 H ALA 101 -14.979 1.439 -7.355 773 HA ALA 101 HA ALA 101 -14.691 -0.844 -9.038 774 HB1 ALA 101 HB1 ALA 101 -13.470 1.945 -9.230 775 HB2 ALA 101 HB2 ALA 101 -13.668 0.789 -10.564 776 HB3 ALA 101 HB3 ALA 101 -15.097 1.486 -9.787 777 H SER 102 H SER 102 -12.826 -0.446 -6.392 778 HA SER 102 HA SER 102 -10.697 -0.814 -5.712 779 HB2 SER 102 HB2 SER 102 -11.396 -3.053 -6.508 780 HB3 SER 102 HB3 SER 102 -10.448 -2.773 -7.982 781 HG SER 102 HG SER 102 -9.329 -3.854 -6.190 782 H LYS 103 H LYS 103 -10.329 1.466 -6.415 783 HA LYS 103 HA LYS 103 -7.777 1.735 -7.790 784 HB2 LYS 103 HB2 LYS 103 -9.319 1.719 -9.715 785 HB3 LYS 103 HB3 LYS 103 -10.198 3.097 -9.054 786 HG2 LYS 103 HG2 LYS 103 -8.378 4.581 -9.434 787 HG3 LYS 103 HG3 LYS 103 -7.206 3.256 -9.572 788 HD2 LYS 103 HD2 LYS 103 -8.163 2.533 -11.684 789 HD3 LYS 103 HD3 LYS 103 -9.416 3.774 -11.607 790 HE2 LYS 103 HE2 LYS 103 -6.497 4.581 -11.414 791 HE3 LYS 103 HE3 LYS 103 -7.128 4.086 -12.991 792 HZ1 LYS 103 HZ1 LYS 103 -8.296 6.279 -11.352 793 HZ2 LYS 103 HZ2 LYS 103 -8.807 5.815 -12.840 794 HZ3 LYS 103 HZ3 LYS 103 -7.334 6.477 -12.651 795 H ASN 104 H ASN 104 -6.750 3.799 -7.246 796 HA ASN 104 HA ASN 104 -8.461 5.847 -6.021 797 HB2 ASN 104 HB2 ASN 104 -6.991 4.240 -4.367 798 HB3 ASN 104 HB3 ASN 104 -5.794 5.476 -4.698 799 HD21 ASN 104 HD21 ASN 104 -6.896 5.007 -2.111 800 HD22 ASN 104 HD22 ASN 104 -7.703 6.494 -1.672 801 H VAL 105 H VAL 105 -6.633 7.759 -5.477 802 HA VAL 105 HA VAL 105 -4.947 8.155 -7.910 803 HB VAL 105 HB VAL 105 -6.582 10.329 -6.528 804 HG11 VAL 105 HG11 VAL 105 -5.930 11.695 -8.495 805 HG12 VAL 105 HG12 VAL 105 -4.516 11.184 -7.580 806 HG13 VAL 105 HG13 VAL 105 -4.930 10.356 -9.099 807 HG21 VAL 105 HG21 VAL 105 -8.136 8.901 -7.776 808 HG22 VAL 105 HG22 VAL 105 -7.907 10.421 -8.637 809 HG23 VAL 105 HG23 VAL 105 -7.079 8.955 -9.206 810 H LEU 106 H LEU 106 -2.918 8.836 -7.452 811 HA LEU 106 HA LEU 106 -1.687 8.817 -4.967 812 HB2 LEU 106 HB2 LEU 106 -0.549 8.877 -7.191 813 HB3 LEU 106 HB3 LEU 106 -1.087 10.531 -7.427 814 HG LEU 106 HG LEU 106 0.334 11.159 -5.395 815 HD11 LEU 106 HD11 LEU 106 0.469 8.783 -4.558 816 HD12 LEU 106 HD12 LEU 106 2.000 9.672 -4.594 817 HD13 LEU 106 HD13 LEU 106 1.627 8.471 -5.856 818 HD21 LEU 106 HD21 LEU 106 2.450 11.083 -6.682 819 HD22 LEU 106 HD22 LEU 106 1.078 11.630 -7.656 820 HD23 LEU 106 HD23 LEU 106 1.678 9.972 -7.841 821 H THR 107 H THR 107 -1.319 10.243 -3.305 822 HA THR 107 HA THR 107 -3.072 12.483 -2.889 823 HB THR 107 HB THR 107 -0.839 12.896 -1.213 824 HG1 THR 107 HG1 THR 107 -1.490 10.172 -1.121 825 HG21 THR 107 HG21 THR 107 -3.441 11.370 -0.756 826 HG22 THR 107 HG22 THR 107 -3.166 13.103 -0.476 827 HG23 THR 107 HG23 THR 107 -2.350 11.893 0.535 828 H THR 108 H THR 108 -2.193 14.649 -2.179 829 HA THR 108 HA THR 108 -0.315 15.758 -4.253 830 HB THR 108 HB THR 108 -2.692 16.267 -4.656 831 HG1 THR 108 HG1 THR 108 -1.028 18.489 -4.077 832 HG21 THR 108 HG21 THR 108 -3.507 16.597 -2.341 833 HG22 THR 108 HG22 THR 108 -3.829 17.995 -3.375 834 HG23 THR 108 HG23 THR 108 -2.507 18.061 -2.196 835 H SER 109 H SER 109 -1.087 15.742 -0.849 836 HA SER 109 HA SER 109 0.734 17.936 -0.138 837 HB2 SER 109 HB2 SER 109 -0.709 15.882 1.579 838 HB3 SER 109 HB3 SER 109 0.157 17.309 2.174 839 HG SER 109 HG SER 109 -2.088 17.709 1.988 840 H GLU 110 H GLU 110 2.381 17.448 1.639 841 HA GLU 110 HA GLU 110 3.996 15.048 0.911 842 HB2 GLU 110 HB2 GLU 110 5.090 17.715 1.808 843 HB3 GLU 110 HB3 GLU 110 5.973 16.315 1.181 844 HG2 GLU 110 HG2 GLU 110 4.623 16.588 -0.973 845 HG3 GLU 110 HG3 GLU 110 4.093 18.150 -0.356 846 H PHE 111 H PHE 111 3.820 13.579 2.426 847 HA PHE 111 HA PHE 111 3.504 14.299 5.290 848 HB2 PHE 111 HB2 PHE 111 3.156 11.589 3.973 849 HB3 PHE 111 HB3 PHE 111 2.559 12.115 5.537 850 HD1 PHE 111 HD1 PHE 111 2.120 12.341 1.878 851 HD2 PHE 111 HD2 PHE 111 0.408 13.332 5.702 852 HE1 PHE 111 HE1 PHE 111 0.004 12.934 0.768 853 HE2 PHE 111 HE2 PHE 111 -1.735 13.895 4.592 854 HZ PHE 111 HZ PHE 111 -1.940 13.691 2.104 855 H TYR 112 H TYR 112 4.616 12.762 6.885 856 HA TYR 112 HA TYR 112 7.466 12.672 6.219 857 HB2 TYR 112 HB2 TYR 112 5.838 12.599 8.657 858 HB3 TYR 112 HB3 TYR 112 7.143 11.422 8.678 859 HD1 TYR 112 HD1 TYR 112 6.405 15.053 8.214 860 HD2 TYR 112 HD2 TYR 112 9.407 12.047 8.962 861 HE1 TYR 112 HE1 TYR 112 8.050 16.842 8.833 862 HE2 TYR 112 HE2 TYR 112 11.042 13.828 9.589 863 HH TYR 112 HH TYR 112 11.393 16.072 9.863 864 H LEU 113 H LEU 113 8.126 11.179 4.901 865 HA LEU 113 HA LEU 113 7.029 8.425 5.014 866 HB2 LEU 113 HB2 LEU 113 7.997 10.185 2.891 867 HB3 LEU 113 HB3 LEU 113 8.915 8.697 2.887 868 HG LEU 113 HG LEU 113 7.003 8.588 1.411 869 HD11 LEU 113 HD11 LEU 113 6.589 6.679 3.726 870 HD12 LEU 113 HD12 LEU 113 7.825 6.525 2.455 871 HD13 LEU 113 HD13 LEU 113 6.105 6.463 2.035 872 HD21 LEU 113 HD21 LEU 113 4.713 8.579 2.119 873 HD22 LEU 113 HD22 LEU 113 5.460 10.077 2.710 874 HD23 LEU 113 HD23 LEU 113 5.165 8.733 3.827 875 H SER 114 H SER 114 7.987 6.869 5.943 876 HA SER 114 HA SER 114 10.908 7.005 6.590 877 HB2 SER 114 HB2 SER 114 9.641 7.642 8.537 878 HB3 SER 114 HB3 SER 114 8.615 6.230 8.393 879 HG SER 114 HG SER 114 10.152 5.659 9.852 880 H ASP 115 H ASP 115 11.542 5.686 4.940 881 HA ASP 115 HA ASP 115 10.559 2.897 4.828 882 HB2 ASP 115 HB2 ASP 115 12.679 4.424 3.293 883 HB3 ASP 115 HB3 ASP 115 12.350 2.708 3.059 884 H CYS 116 H CYS 116 12.105 1.134 5.040 885 HA CYS 116 HA CYS 116 14.815 1.714 5.873 886 HB2 CYS 116 HB2 CYS 116 13.013 1.191 7.985 887 HB3 CYS 116 HB3 CYS 116 13.895 -0.316 7.772 888 H ASN 117 H ASN 117 16.058 0.358 4.703 889 HA ASN 117 HA ASN 117 14.768 -2.066 3.487 890 HB2 ASN 117 HB2 ASN 117 16.764 -0.024 2.425 891 HB3 ASN 117 HB3 ASN 117 16.615 -1.631 1.719 892 HD21 ASN 117 HD21 ASN 117 14.555 1.234 2.541 893 HD22 ASN 117 HD22 ASN 117 13.558 1.012 1.106 894 H VAL 118 H VAL 118 15.777 -4.002 3.610 895 HA VAL 118 HA VAL 118 17.732 -4.427 5.668 896 HB VAL 118 HB VAL 118 16.583 -6.148 3.493 897 HG11 VAL 118 HG11 VAL 118 17.655 -8.152 4.485 898 HG12 VAL 118 HG12 VAL 118 18.841 -7.102 3.719 899 HG13 VAL 118 HG13 VAL 118 18.675 -7.110 5.497 900 HG21 VAL 118 HG21 VAL 118 15.640 -7.355 5.432 901 HG22 VAL 118 HG22 VAL 118 16.524 -6.282 6.535 902 HG23 VAL 118 HG23 VAL 118 15.240 -5.636 5.493 903 H THR 119 H THR 119 19.876 -5.065 5.653 904 HA THR 119 HA THR 119 21.423 -4.879 3.124 905 HB THR 119 HB THR 119 21.523 -2.642 3.753 906 HG1 THR 119 HG1 THR 119 23.992 -3.752 4.507 907 HG21 THR 119 HG21 THR 119 22.705 -3.347 6.452 908 HG22 THR 119 HG22 THR 119 21.074 -2.718 6.143 909 HG23 THR 119 HG23 THR 119 22.487 -1.729 5.756 910 H SER 120 H SER 120 21.876 -6.892 3.119 911 HA SER 120 HA SER 120 22.728 -8.657 5.144 912 HB2 SER 120 HB2 SER 120 23.508 -8.704 2.202 913 HB3 SER 120 HB3 SER 120 23.569 -10.075 3.323 914 HG SER 120 HG SER 120 21.288 -9.898 3.580 Start of MODEL 4 1 H1 ARG 1 H1 ARG 1 16.870 -5.570 18.212 2 H2 ARG 1 H2 ARG 1 18.180 -6.332 18.871 3 H3 ARG 1 H3 ARG 1 18.246 -4.741 18.435 4 HA ARG 1 HA ARG 1 17.993 -5.252 16.126 5 HB2 ARG 1 HB2 ARG 1 20.266 -5.089 17.205 6 HB3 ARG 1 HB3 ARG 1 20.275 -6.832 17.386 7 HG2 ARG 1 HG2 ARG 1 19.974 -6.968 14.819 8 HG3 ARG 1 HG3 ARG 1 20.283 -5.228 14.786 9 HD2 ARG 1 HD2 ARG 1 22.127 -7.379 15.917 10 HD3 ARG 1 HD3 ARG 1 22.307 -6.605 14.337 11 HE ARG 1 HE ARG 1 22.299 -4.471 16.096 12 HH11 ARG 1 HH11 ARG 1 24.295 -7.339 15.908 13 HH12 ARG 1 HH12 ARG 1 25.659 -6.551 16.651 14 HH21 ARG 1 HH21 ARG 1 24.059 -3.529 17.049 15 HH22 ARG 1 HH22 ARG 1 25.520 -4.445 17.271 16 HA PRO 2 HA PRO 2 16.229 -9.478 15.665 17 HB2 PRO 2 HB2 PRO 2 14.420 -8.932 13.693 18 HB3 PRO 2 HB3 PRO 2 14.090 -8.690 15.422 19 HG2 PRO 2 HG2 PRO 2 14.933 -6.607 13.391 20 HG3 PRO 2 HG3 PRO 2 13.631 -6.511 14.613 21 HD2 PRO 2 HD2 PRO 2 16.083 -5.400 15.047 22 HD3 PRO 2 HD3 PRO 2 15.137 -6.167 16.354 23 H CYS 3 H CYS 3 16.927 -7.098 13.103 24 HA CYS 3 HA CYS 3 18.667 -8.971 11.621 25 HB2 CYS 3 HB2 CYS 3 16.719 -7.472 9.924 26 HB3 CYS 3 HB3 CYS 3 17.430 -9.058 9.707 27 H LYS 4 H LYS 4 19.375 -7.587 9.484 28 HA LYS 4 HA LYS 4 20.465 -4.970 10.468 29 HB2 LYS 4 HB2 LYS 4 21.420 -6.785 8.230 30 HB3 LYS 4 HB3 LYS 4 22.211 -5.307 8.767 31 HG2 LYS 4 HG2 LYS 4 21.893 -7.881 10.389 32 HG3 LYS 4 HG3 LYS 4 23.345 -7.375 9.550 33 HD2 LYS 4 HD2 LYS 4 22.083 -5.857 11.879 34 HD3 LYS 4 HD3 LYS 4 23.430 -6.997 11.994 35 HE2 LYS 4 HE2 LYS 4 24.746 -5.578 10.402 36 HE3 LYS 4 HE3 LYS 4 23.436 -4.392 10.406 37 HZ1 LYS 4 HZ1 LYS 4 25.169 -3.804 11.997 38 HZ2 LYS 4 HZ2 LYS 4 25.008 -5.215 12.792 39 HZ3 LYS 4 HZ3 LYS 4 23.789 -4.117 12.808 40 H TYR 5 H TYR 5 19.789 -3.169 9.528 41 HA TYR 5 HA TYR 5 18.596 -3.216 6.802 42 HB2 TYR 5 HB2 TYR 5 17.379 -1.726 9.143 43 HB3 TYR 5 HB3 TYR 5 16.781 -1.744 7.499 44 HD1 TYR 5 HD2 TYR 5 17.102 -3.689 10.625 45 HD2 TYR 5 HD1 TYR 5 15.425 -3.661 6.631 46 HE1 TYR 5 HE2 TYR 5 15.446 -5.413 11.296 47 HE2 TYR 5 HE1 TYR 5 13.749 -5.336 7.344 48 HH TYR 5 HH TYR 5 13.637 -6.663 10.652 49 H LYS 6 H LYS 6 18.401 -1.085 5.844 50 HA LYS 6 HA LYS 6 20.562 0.830 6.642 51 HB2 LYS 6 HB2 LYS 6 20.971 1.249 4.310 52 HB3 LYS 6 HB3 LYS 6 21.062 -0.477 4.630 53 HG2 LYS 6 HG2 LYS 6 18.380 -0.097 3.873 54 HG3 LYS 6 HG3 LYS 6 19.235 1.041 2.857 55 HD2 LYS 6 HD2 LYS 6 19.873 -1.947 3.077 56 HD3 LYS 6 HD3 LYS 6 18.883 -1.213 1.823 57 HE2 LYS 6 HE2 LYS 6 20.807 0.235 1.145 58 HE3 LYS 6 HE3 LYS 6 21.829 -0.617 2.309 59 HZ1 LYS 6 HZ1 LYS 6 22.021 -1.568 0.074 60 HZ2 LYS 6 HZ2 LYS 6 20.425 -1.887 0.011 61 HZ3 LYS 6 HZ3 LYS 6 21.374 -2.684 1.073 62 H LEU 7 H LEU 7 20.331 2.987 6.139 63 HA LEU 7 HA LEU 7 17.788 3.982 7.138 64 HB2 LEU 7 HB2 LEU 7 20.239 4.466 7.893 65 HB3 LEU 7 HB3 LEU 7 20.319 5.567 6.541 66 HG LEU 7 HG LEU 7 19.926 6.769 8.560 67 HD11 LEU 7 HD11 LEU 7 18.693 7.598 6.559 68 HD12 LEU 7 HD12 LEU 7 17.948 8.048 8.101 69 HD13 LEU 7 HD13 LEU 7 17.250 6.729 7.140 70 HD21 LEU 7 HD21 LEU 7 18.040 6.454 10.041 71 HD22 LEU 7 HD22 LEU 7 18.940 4.939 9.897 72 HD23 LEU 7 HD23 LEU 7 17.398 5.138 9.033 73 H LYS 8 H LYS 8 16.155 4.548 5.763 74 HA LYS 8 HA LYS 8 16.732 6.316 3.459 75 HB2 LYS 8 HB2 LYS 8 16.535 3.993 2.628 76 HB3 LYS 8 HB3 LYS 8 14.971 3.830 3.409 77 HG2 LYS 8 HG2 LYS 8 14.618 4.227 1.053 78 HG3 LYS 8 HG3 LYS 8 14.043 5.620 1.949 79 HD2 LYS 8 HD2 LYS 8 15.181 6.501 0.065 80 HD3 LYS 8 HD3 LYS 8 16.221 6.789 1.447 81 HE2 LYS 8 HE2 LYS 8 17.647 6.079 -0.311 82 HE3 LYS 8 HE3 LYS 8 17.550 4.721 0.808 83 HZ1 LYS 8 HZ1 LYS 8 17.297 4.022 -1.516 84 HZ2 LYS 8 HZ2 LYS 8 15.995 4.979 -1.720 85 HZ3 LYS 8 HZ3 LYS 8 15.917 3.695 -0.710 86 H LYS 9 H LYS 9 15.880 8.169 4.144 87 HA LYS 9 HA LYS 9 13.010 8.246 5.053 88 HB2 LYS 9 HB2 LYS 9 15.252 10.171 5.788 89 HB3 LYS 9 HB3 LYS 9 13.572 10.303 6.301 90 HG2 LYS 9 HG2 LYS 9 15.431 8.004 7.029 91 HG3 LYS 9 HG3 LYS 9 15.123 9.411 8.041 92 HD2 LYS 9 HD2 LYS 9 12.789 8.786 8.329 93 HD3 LYS 9 HD3 LYS 9 12.930 7.511 7.120 94 HE2 LYS 9 HE2 LYS 9 12.930 6.523 9.320 95 HE3 LYS 9 HE3 LYS 9 14.463 6.233 8.500 96 HZ1 LYS 9 HZ1 LYS 9 15.462 8.000 9.840 97 HZ2 LYS 9 HZ2 LYS 9 14.773 6.902 10.829 98 HZ3 LYS 9 HZ3 LYS 9 14.037 8.336 10.565 99 H SER 10 H SER 10 11.647 9.639 4.160 100 HA SER 10 HA SER 10 12.485 11.483 1.980 101 HB2 SER 10 HB2 SER 10 10.583 9.114 1.674 102 HB3 SER 10 HB3 SER 10 10.795 10.400 0.470 103 HG SER 10 HG SER 10 13.004 9.776 0.301 104 H THR 11 H THR 11 10.604 12.779 1.165 105 HA THR 11 HA THR 11 8.290 12.878 3.009 106 HB THR 11 HB THR 11 9.662 15.472 2.269 107 HG1 THR 11 HG1 THR 11 10.416 15.485 4.394 108 HG21 THR 11 HG21 THR 11 8.205 16.295 4.095 109 HG22 THR 11 HG22 THR 11 7.639 14.630 4.398 110 HG23 THR 11 HG23 THR 11 7.228 15.448 2.878 111 H ASN 12 H ASN 12 6.657 12.438 1.704 112 HA ASN 12 HA ASN 12 5.954 13.945 -0.658 113 HB2 ASN 12 HB2 ASN 12 6.393 12.017 -2.308 114 HB3 ASN 12 HB3 ASN 12 7.769 12.942 -1.752 115 HD21 ASN 12 HD21 ASN 12 6.089 10.142 -0.059 116 HD22 ASN 12 HD22 ASN 12 7.582 9.219 -0.126 117 H LYS 13 H LYS 13 4.236 12.880 -1.939 118 HA LYS 13 HA LYS 13 2.056 11.682 -0.501 119 HB2 LYS 13 HB2 LYS 13 1.218 11.312 -2.923 120 HB3 LYS 13 HB3 LYS 13 1.393 12.930 -2.298 121 HG2 LYS 13 HG2 LYS 13 3.728 11.846 -3.817 122 HG3 LYS 13 HG3 LYS 13 2.238 12.110 -4.723 123 HD2 LYS 13 HD2 LYS 13 2.079 14.420 -3.951 124 HD3 LYS 13 HD3 LYS 13 3.568 14.255 -3.016 125 HE2 LYS 13 HE2 LYS 13 4.794 13.689 -5.152 126 HE3 LYS 13 HE3 LYS 13 3.296 13.980 -6.045 127 HZ1 LYS 13 HZ1 LYS 13 3.343 16.286 -5.186 128 HZ2 LYS 13 HZ2 LYS 13 4.685 15.955 -6.056 129 HZ3 LYS 13 HZ3 LYS 13 4.766 16.005 -4.428 130 H PHE 14 H PHE 14 0.934 9.774 -1.440 131 HA PHE 14 HA PHE 14 2.655 7.447 -2.036 132 HB2 PHE 14 HB2 PHE 14 1.468 6.122 -0.216 133 HB3 PHE 14 HB3 PHE 14 2.670 7.279 0.321 134 HD1 PHE 14 HD1 PHE 14 -1.052 6.815 -0.063 135 HD2 PHE 14 HD2 PHE 14 2.131 8.979 1.886 136 HE1 PHE 14 HE1 PHE 14 -2.710 7.977 1.370 137 HE2 PHE 14 HE2 PHE 14 0.459 10.090 3.350 138 HZ PHE 14 HZ PHE 14 -1.949 9.692 3.024 139 H CYS 15 H CYS 15 1.612 5.754 -3.024 140 HA CYS 15 HA CYS 15 -1.148 6.345 -4.039 141 HB2 CYS 15 HB2 CYS 15 0.703 6.227 -5.716 142 HB3 CYS 15 HB3 CYS 15 0.911 4.529 -5.328 143 H VAL 16 H VAL 16 -2.652 4.815 -4.062 144 HA VAL 16 HA VAL 16 -2.362 2.203 -2.675 145 HB VAL 16 HB VAL 16 -4.180 2.704 -1.080 146 HG11 VAL 16 HG11 VAL 16 -1.942 2.708 -0.234 147 HG12 VAL 16 HG12 VAL 16 -1.752 4.439 -0.619 148 HG13 VAL 16 HG13 VAL 16 -2.940 3.911 0.588 149 HG21 VAL 16 HG21 VAL 16 -5.057 4.741 -2.287 150 HG22 VAL 16 HG22 VAL 16 -4.873 4.921 -0.531 151 HG23 VAL 16 HG23 VAL 16 -3.684 5.650 -1.633 152 H THR 17 H THR 17 -4.730 1.210 -2.434 153 HA THR 17 HA THR 17 -6.379 1.866 -4.870 154 HB THR 17 HB THR 17 -6.165 -0.913 -3.721 155 HG1 THR 17 HG1 THR 17 -4.622 0.167 -5.848 156 HG21 THR 17 HG21 THR 17 -6.850 0.046 -6.510 157 HG22 THR 17 HG22 THR 17 -8.025 -0.475 -5.269 158 HG23 THR 17 HG23 THR 17 -6.856 -1.626 -5.930 159 H CYS 18 H CYS 18 -8.421 2.533 -4.380 160 HA CYS 18 HA CYS 18 -9.577 2.043 -1.715 161 HB2 CYS 18 HB2 CYS 18 -9.626 4.280 -2.909 162 HB3 CYS 18 HB3 CYS 18 -10.760 3.552 -4.038 163 H GLU 19 H GLU 19 -11.069 0.588 -1.319 164 HA GLU 19 HA GLU 19 -12.769 -0.519 -3.489 165 HB2 GLU 19 HB2 GLU 19 -10.781 -2.055 -3.008 166 HB3 GLU 19 HB3 GLU 19 -11.486 -2.319 -1.407 167 HG2 GLU 19 HG2 GLU 19 -13.640 -3.004 -2.581 168 HG3 GLU 19 HG3 GLU 19 -12.770 -2.914 -4.109 169 H ASN 20 H ASN 20 -14.719 0.075 -2.910 170 HA ASN 20 HA ASN 20 -16.571 0.654 -1.735 171 HB2 ASN 20 HB2 ASN 20 -15.619 -1.504 0.179 172 HB3 ASN 20 HB3 ASN 20 -17.129 -0.628 0.365 173 HD21 ASN 20 HD21 ASN 20 -15.389 -2.561 -2.175 174 HD22 ASN 20 HD22 ASN 20 -16.893 -3.271 -2.749 175 H GLN 21 H GLN 21 -14.886 2.510 -1.715 176 HA GLN 21 HA GLN 21 -14.506 4.577 -0.891 177 HB2 GLN 21 HB2 GLN 21 -16.516 3.943 1.290 178 HB3 GLN 21 HB3 GLN 21 -16.004 5.522 0.700 179 HG2 GLN 21 HG2 GLN 21 -17.896 5.401 -0.538 180 HG3 GLN 21 HG3 GLN 21 -16.878 4.471 -1.637 181 HE21 GLN 21 HE21 GLN 21 -18.031 2.693 -2.369 182 HE22 GLN 21 HE22 GLN 21 -19.174 1.817 -1.347 183 H ALA 22 H ALA 22 -12.661 2.512 0.060 184 HA ALA 22 HA ALA 22 -11.363 3.932 2.173 185 HB1 ALA 22 HB1 ALA 22 -12.511 1.162 2.751 186 HB2 ALA 22 HB2 ALA 22 -11.458 2.124 3.832 187 HB3 ALA 22 HB3 ALA 22 -13.089 2.681 3.467 188 HA PRO 23 HA PRO 23 -8.247 1.785 -0.228 189 HB2 PRO 23 HB2 PRO 23 -5.988 2.814 0.830 190 HB3 PRO 23 HB3 PRO 23 -7.178 3.754 -0.150 191 HG2 PRO 23 HG2 PRO 23 -7.023 3.615 2.876 192 HG3 PRO 23 HG3 PRO 23 -7.040 5.072 1.837 193 HD2 PRO 23 HD2 PRO 23 -9.309 4.037 2.968 194 HD3 PRO 23 HD3 PRO 23 -9.321 4.791 1.342 195 H VAL 24 H VAL 24 -8.190 -0.315 0.002 196 HA VAL 24 HA VAL 24 -7.128 -1.590 2.476 197 HB VAL 24 HB VAL 24 -8.371 -3.529 2.032 198 HG11 VAL 24 HG11 VAL 24 -10.389 -1.422 1.205 199 HG12 VAL 24 HG12 VAL 24 -10.576 -2.808 2.300 200 HG13 VAL 24 HG13 VAL 24 -9.649 -1.379 2.794 201 HG21 VAL 24 HG21 VAL 24 -9.855 -3.841 0.094 202 HG22 VAL 24 HG22 VAL 24 -9.208 -2.356 -0.657 203 HG23 VAL 24 HG23 VAL 24 -8.169 -3.777 -0.401 204 H HIS 25 H HIS 25 -5.559 -0.466 0.011 205 HA HIS 25 HA HIS 25 -3.707 -2.752 -0.099 206 HB2 HIS 25 HB2 HIS 25 -5.559 -2.800 -2.075 207 HB3 HIS 25 HB3 HIS 25 -4.477 -1.603 -2.763 208 HD1 HIS 25 HD1 HIS 25 -1.982 -2.501 -3.533 209 HD2 HIS 25 HD2 HIS 25 -4.762 -5.297 -2.032 210 HE1 HIS 25 HE1 HIS 25 -1.154 -4.800 -4.284 211 HE2 HIS 25 HE2 HIS 25 -2.853 -6.534 -3.371 212 H PHE 26 H PHE 26 -1.606 -2.073 -0.434 213 HA PHE 26 HA PHE 26 -1.092 0.823 -0.779 214 HB2 PHE 26 HB2 PHE 26 0.083 -0.573 0.970 215 HB3 PHE 26 HB3 PHE 26 0.792 -1.527 -0.320 216 HD1 PHE 26 HD1 PHE 26 0.442 2.264 -0.096 217 HD2 PHE 26 HD2 PHE 26 3.111 -1.148 0.082 218 HE1 PHE 26 HE1 PHE 26 2.384 3.762 -0.184 219 HE2 PHE 26 HE2 PHE 26 5.042 0.383 0.001 220 HZ PHE 26 HZ PHE 26 4.682 2.831 -0.149 221 H VAL 27 H VAL 27 0.139 1.649 -2.556 222 HA VAL 27 HA VAL 27 0.701 -0.284 -4.807 223 HB VAL 27 HB VAL 27 -0.431 2.501 -5.104 224 HG11 VAL 27 HG11 VAL 27 -0.552 1.963 -7.530 225 HG12 VAL 27 HG12 VAL 27 1.101 2.071 -6.930 226 HG13 VAL 27 HG13 VAL 27 0.376 0.476 -7.226 227 HG21 VAL 27 HG21 VAL 27 -1.635 -0.173 -5.890 228 HG22 VAL 27 HG22 VAL 27 -2.139 0.786 -4.485 229 HG23 VAL 27 HG23 VAL 27 -2.359 1.440 -6.108 230 H GLY 28 H GLY 28 1.750 2.901 -3.383 231 HA2 GLY 28 HA2 GLY 28 4.500 2.361 -3.869 232 HA3 GLY 28 HA3 GLY 28 3.864 3.260 -5.250 233 H VAL 29 H VAL 29 5.682 4.587 -4.386 234 HA VAL 29 HA VAL 29 4.790 6.619 -2.373 235 HB VAL 29 HB VAL 29 7.625 5.539 -2.658 236 HG11 VAL 29 HG11 VAL 29 7.972 6.783 -0.521 237 HG12 VAL 29 HG12 VAL 29 7.573 7.844 -1.878 238 HG13 VAL 29 HG13 VAL 29 6.317 7.431 -0.675 239 HG21 VAL 29 HG21 VAL 29 5.562 4.996 -0.486 240 HG22 VAL 29 HG22 VAL 29 6.246 3.800 -1.619 241 HG23 VAL 29 HG23 VAL 29 7.286 4.554 -0.414 242 H GLY 30 H GLY 30 4.690 8.585 -3.254 243 HA2 GLY 30 HA2 GLY 30 5.045 10.379 -4.682 244 HA3 GLY 30 HA3 GLY 30 6.641 9.729 -5.020 245 H SER 31 H SER 31 4.359 7.411 -5.824 246 HA SER 31 HA SER 31 3.489 8.152 -8.449 247 HB2 SER 31 HB2 SER 31 4.898 6.668 -9.769 248 HB3 SER 31 HB3 SER 31 5.904 7.875 -8.963 249 HG SER 31 HG SER 31 6.813 5.795 -8.776 250 H CYS 32 H CYS 32 2.528 6.208 -9.567 251 HA CYS 32 HA CYS 32 1.638 4.078 -7.687 252 HB2 CYS 32 HB2 CYS 32 0.392 5.110 -10.250 253 HB3 CYS 32 HB3 CYS 32 -0.226 3.778 -9.286 254 H GLY 33 H GLY 33 2.601 2.184 -7.973 255 HA2 GLY 33 HA2 GLY 33 4.319 1.438 -10.177 256 HA3 GLY 33 HA3 GLY 33 3.738 0.385 -8.882 257 H SER 34 H SER 34 3.593 0.894 -12.238 258 HA SER 34 HA SER 34 0.940 0.307 -12.930 259 HB2 SER 34 HB2 SER 34 2.111 -0.297 -15.093 260 HB3 SER 34 HB3 SER 34 2.369 1.340 -14.487 261 HG SER 34 HG SER 34 4.319 0.356 -15.202 262 H GLY 35 H GLY 35 -0.120 -1.531 -13.355 263 HA2 GLY 35 HA2 GLY 35 0.672 -3.947 -11.965 264 HA3 GLY 35 HA3 GLY 35 -0.852 -3.637 -12.782 265 H GLY 36 H GLY 36 2.385 -3.581 -14.246 266 HA2 GLY 36 HA2 GLY 36 1.526 -5.285 -16.475 267 HA3 GLY 36 HA3 GLY 36 3.104 -4.529 -16.271 268 H SER 37 H SER 37 4.372 -5.520 -14.306 269 HA SER 37 HA SER 37 5.005 -8.225 -14.983 270 HB2 SER 37 HB2 SER 37 5.849 -6.594 -12.552 271 HB3 SER 37 HB3 SER 37 6.653 -8.050 -13.161 272 HG SER 37 HG SER 37 7.110 -6.913 -15.102 273 H GLY 38 H GLY 38 5.153 -10.058 -13.551 274 HA2 GLY 38 HA2 GLY 38 2.632 -10.683 -12.256 275 HA3 GLY 38 HA3 GLY 38 3.983 -11.767 -12.551 276 H ILE 39 H ILE 39 4.610 -8.861 -10.757 277 HA ILE 39 HA ILE 39 5.769 -10.271 -8.546 278 HB ILE 39 HB ILE 39 4.957 -7.357 -8.678 279 HG12 ILE 39 HG12 ILE 39 7.672 -8.567 -9.400 280 HG13 ILE 39 HG13 ILE 39 6.474 -8.098 -10.597 281 HG21 ILE 39 HG21 ILE 39 7.034 -8.774 -6.946 282 HG22 ILE 39 HG22 ILE 39 6.765 -7.022 -6.991 283 HG23 ILE 39 HG23 ILE 39 5.497 -8.061 -6.386 284 HD11 ILE 39 HD11 ILE 39 6.549 -5.746 -9.763 285 HD12 ILE 39 HD12 ILE 39 7.918 -6.208 -8.719 286 HD13 ILE 39 HD13 ILE 39 8.062 -6.338 -10.477 287 H PHE 40 H PHE 40 5.001 -10.870 -6.685 288 HA PHE 40 HA PHE 40 2.410 -9.926 -5.577 289 HB2 PHE 40 HB2 PHE 40 2.209 -12.014 -7.158 290 HB3 PHE 40 HB3 PHE 40 2.872 -12.906 -5.801 291 HD1 PHE 40 HD2 PHE 40 0.093 -10.689 -6.935 292 HD2 PHE 40 HD1 PHE 40 1.431 -13.432 -3.891 293 HE1 PHE 40 HE2 PHE 40 -2.203 -10.747 -5.982 294 HE2 PHE 40 HE1 PHE 40 -0.869 -13.491 -2.938 295 HZ PHE 40 HZ PHE 40 -2.685 -12.147 -3.980 296 H LEU 41 H LEU 41 5.328 -9.744 -4.755 297 HA LEU 41 HA LEU 41 5.613 -11.475 -2.402 298 HB2 LEU 41 HB2 LEU 41 7.256 -9.264 -3.697 299 HB3 LEU 41 HB3 LEU 41 7.637 -9.798 -2.080 300 HG LEU 41 HG LEU 41 9.074 -10.832 -3.721 301 HD11 LEU 41 HD11 LEU 41 7.279 -12.925 -2.439 302 HD12 LEU 41 HD12 LEU 41 8.559 -12.014 -1.605 303 HD13 LEU 41 HD13 LEU 41 8.971 -13.110 -2.933 304 HD21 LEU 41 HD21 LEU 41 6.661 -12.340 -4.788 305 HD22 LEU 41 HD22 LEU 41 8.353 -12.526 -5.282 306 HD23 LEU 41 HD23 LEU 41 7.504 -11.011 -5.629 307 H GLU 42 H GLU 42 3.979 -8.607 -2.990 308 HA GLU 42 HA GLU 42 4.282 -7.217 -0.489 309 HB2 GLU 42 HB2 GLU 42 3.176 -6.678 -2.977 310 HB3 GLU 42 HB3 GLU 42 1.729 -6.881 -1.996 311 HG2 GLU 42 HG2 GLU 42 2.595 -5.164 -0.422 312 HG3 GLU 42 HG3 GLU 42 4.091 -5.069 -1.373 313 H THR 43 H THR 43 2.447 -6.764 0.968 314 HA THR 43 HA THR 43 1.379 -9.093 2.254 315 HB THR 43 HB THR 43 0.469 -6.202 2.505 316 HG1 THR 43 HG1 THR 43 1.985 -6.102 4.135 317 HG21 THR 43 HG21 THR 43 -0.147 -6.859 4.829 318 HG22 THR 43 HG22 THR 43 0.244 -8.551 4.443 319 HG23 THR 43 HG23 THR 43 -1.108 -7.728 3.629 320 H SER 44 H SER 44 0.025 -6.945 -0.151 321 HA SER 44 HA SER 44 -1.977 -6.673 -1.130 322 HB2 SER 44 HB2 SER 44 -0.855 -8.648 -2.249 323 HB3 SER 44 HB3 SER 44 -2.029 -9.681 -1.411 324 HG SER 44 HG SER 44 -2.863 -9.083 -3.419 325 H LEU 45 H LEU 45 -2.891 -5.917 0.860 326 HA LEU 45 HA LEU 45 -4.631 -7.473 2.519 327 HB2 LEU 45 HB2 LEU 45 -4.298 -4.473 2.122 328 HB3 LEU 45 HB3 LEU 45 -5.408 -5.151 3.281 329 HG LEU 45 HG LEU 45 -3.128 -6.492 4.014 330 HD11 LEU 45 HD11 LEU 45 -2.224 -3.744 3.004 331 HD12 LEU 45 HD12 LEU 45 -1.701 -5.304 2.340 332 HD13 LEU 45 HD13 LEU 45 -1.257 -4.851 3.990 333 HD21 LEU 45 HD21 LEU 45 -2.843 -4.685 5.735 334 HD22 LEU 45 HD22 LEU 45 -4.517 -5.218 5.550 335 HD23 LEU 45 HD23 LEU 45 -4.004 -3.705 4.798 336 H SER 46 H SER 46 -5.241 -6.984 -0.578 337 HA SER 46 HA SER 46 -7.969 -6.014 -0.754 338 HB2 SER 46 HB2 SER 46 -6.555 -6.119 -2.738 339 HB3 SER 46 HB3 SER 46 -6.396 -7.875 -2.577 340 HG SER 46 HG SER 46 -8.770 -6.387 -3.155 341 H ALA 47 H ALA 47 -6.626 -9.260 -0.236 342 HA ALA 47 HA ALA 47 -9.375 -10.350 0.233 343 HB1 ALA 47 HB1 ALA 47 -8.598 -12.447 -0.768 344 HB2 ALA 47 HB2 ALA 47 -8.495 -11.103 -1.921 345 HB3 ALA 47 HB3 ALA 47 -7.022 -11.710 -1.131 346 H GLY 48 H GLY 48 -9.650 -10.788 2.276 347 HA2 GLY 48 HA2 GLY 48 -9.304 -12.016 4.267 348 HA3 GLY 48 HA3 GLY 48 -7.602 -12.217 3.881 349 H SER 49 H SER 49 -8.293 -8.930 3.431 350 HA SER 49 HA SER 49 -8.045 -8.147 6.269 351 HB2 SER 49 HB2 SER 49 -6.197 -7.080 4.123 352 HB3 SER 49 HB3 SER 49 -6.219 -6.624 5.821 353 HG SER 49 HG SER 49 -5.701 -8.906 6.255 354 H ASP 50 H ASP 50 -7.756 -5.407 5.934 355 HA ASP 50 HA ASP 50 -9.830 -4.389 4.201 356 HB2 ASP 50 HB2 ASP 50 -10.807 -5.531 6.460 357 HB3 ASP 50 HB3 ASP 50 -10.320 -3.997 7.158 358 H TRP 51 H TRP 51 -10.144 -2.064 4.839 359 HA TRP 51 HA TRP 51 -7.747 -0.466 4.992 360 HB2 TRP 51 HB2 TRP 51 -9.421 0.713 4.029 361 HB3 TRP 51 HB3 TRP 51 -10.685 -0.032 4.973 362 HD1 TRP 51 HD1 TRP 51 -11.671 1.323 6.905 363 HE1 TRP 51 HE1 TRP 51 -11.149 3.580 8.031 364 HE3 TRP 51 HE3 TRP 51 -7.110 2.251 4.795 365 HZ2 TRP 51 HZ2 TRP 51 -9.043 5.542 7.987 366 HZ3 TRP 51 HZ3 TRP 51 -5.842 4.304 5.379 367 HH2 TRP 51 HH2 TRP 51 -6.801 5.969 6.943 368 H LEU 52 H LEU 52 -10.040 -1.595 7.425 369 HA LEU 52 HA LEU 52 -9.173 -0.059 9.628 370 HB2 LEU 52 HB2 LEU 52 -11.175 -1.881 9.156 371 HB3 LEU 52 HB3 LEU 52 -10.115 -2.849 10.154 372 HG LEU 52 HG LEU 52 -11.850 -1.809 11.460 373 HD11 LEU 52 HD11 LEU 52 -10.611 -0.730 13.221 374 HD12 LEU 52 HD12 LEU 52 -9.278 -0.331 12.122 375 HD13 LEU 52 HD13 LEU 52 -9.615 -2.030 12.540 376 HD21 LEU 52 HD21 LEU 52 -10.828 0.933 10.634 377 HD22 LEU 52 HD22 LEU 52 -12.170 0.562 11.728 378 HD23 LEU 52 HD23 LEU 52 -12.296 0.147 10.011 379 H THR 53 H THR 53 -7.850 -3.140 8.374 380 HA THR 53 HA THR 53 -5.736 -3.158 10.448 381 HB THR 53 HB THR 53 -5.031 -5.268 9.279 382 HG1 THR 53 HG1 THR 53 -6.718 -6.225 8.044 383 HG21 THR 53 HG21 THR 53 -7.896 -5.186 10.322 384 HG22 THR 53 HG22 THR 53 -6.431 -5.265 11.329 385 HG23 THR 53 HG23 THR 53 -6.836 -6.610 10.251 386 H PHE 54 H PHE 54 -6.059 -2.338 7.026 387 HA PHE 54 HA PHE 54 -3.400 -2.192 6.168 388 HB2 PHE 54 HB2 PHE 54 -5.313 -1.742 4.711 389 HB3 PHE 54 HB3 PHE 54 -5.756 -0.350 5.680 390 HD1 PHE 54 HD2 PHE 54 -3.395 -1.567 3.127 391 HD2 PHE 54 HD1 PHE 54 -4.727 1.798 5.463 392 HE1 PHE 54 HE2 PHE 54 -2.071 -0.023 1.690 393 HE2 PHE 54 HE1 PHE 54 -3.433 3.337 3.993 394 HZ PHE 54 HZ PHE 54 -2.088 2.421 2.131 395 H GLN 55 H GLN 55 -5.115 0.222 8.087 396 HA GLN 55 HA GLN 55 -3.049 2.158 8.378 397 HB2 GLN 55 HB2 GLN 55 -5.282 1.284 10.246 398 HB3 GLN 55 HB3 GLN 55 -4.251 2.686 10.564 399 HG2 GLN 55 HG2 GLN 55 -5.096 3.903 8.731 400 HG3 GLN 55 HG3 GLN 55 -5.726 2.460 7.926 401 HE21 GLN 55 HE21 GLN 55 -7.674 1.517 8.589 402 HE22 GLN 55 HE22 GLN 55 -8.763 2.397 9.648 403 H LYS 56 H LYS 56 -3.925 -0.396 10.717 404 HA LYS 56 HA LYS 56 -1.585 -0.068 12.373 405 HB2 LYS 56 HB2 LYS 56 -3.227 -2.618 12.036 406 HB3 LYS 56 HB3 LYS 56 -1.977 -2.361 13.227 407 HG2 LYS 56 HG2 LYS 56 -3.908 -2.037 14.419 408 HG3 LYS 56 HG3 LYS 56 -3.306 -0.402 14.151 409 HD2 LYS 56 HD2 LYS 56 -4.977 0.009 12.450 410 HD3 LYS 56 HD3 LYS 56 -5.427 -1.704 12.393 411 HE2 LYS 56 HE2 LYS 56 -5.799 0.066 14.846 412 HE3 LYS 56 HE3 LYS 56 -7.019 -0.111 13.582 413 HZ1 LYS 56 HZ1 LYS 56 -5.971 -2.350 15.229 414 HZ2 LYS 56 HZ2 LYS 56 -7.082 -2.498 14.035 415 HZ3 LYS 56 HZ3 LYS 56 -7.437 -1.658 15.385 416 H LYS 57 H LYS 57 -1.906 -1.847 9.401 417 HA LYS 57 HA LYS 57 0.371 -3.533 9.655 418 HB2 LYS 57 HB2 LYS 57 -1.614 -3.592 7.930 419 HB3 LYS 57 HB3 LYS 57 -0.604 -2.529 6.965 420 HG2 LYS 57 HG2 LYS 57 -0.023 -4.657 6.171 421 HG3 LYS 57 HG3 LYS 57 1.262 -4.343 7.337 422 HD2 LYS 57 HD2 LYS 57 -0.378 -5.573 9.040 423 HD3 LYS 57 HD3 LYS 57 -1.158 -6.164 7.566 424 HE2 LYS 57 HE2 LYS 57 1.077 -7.065 6.816 425 HE3 LYS 57 HE3 LYS 57 1.780 -6.495 8.334 426 HZ1 LYS 57 HZ1 LYS 57 -0.364 -8.541 8.096 427 HZ2 LYS 57 HZ2 LYS 57 0.216 -7.977 9.515 428 HZ3 LYS 57 HZ3 LYS 57 1.186 -8.825 8.517 429 H HIS 58 H HIS 58 0.259 -0.349 7.931 430 HA HIS 58 HA HIS 58 3.179 -0.055 8.460 431 HB2 HIS 58 HB2 HIS 58 3.803 0.132 6.200 432 HB3 HIS 58 HB3 HIS 58 2.863 -1.347 6.303 433 HD1 HIS 58 HD1 HIS 58 3.044 1.872 4.523 434 HD2 HIS 58 HD2 HIS 58 0.076 -0.961 5.528 435 HE1 HIS 58 HE1 HIS 58 0.936 2.410 3.072 436 HE2 HIS 58 HE2 HIS 58 -0.854 0.685 3.738 437 H ILE 59 H ILE 59 0.738 1.423 9.291 438 HA ILE 59 HA ILE 59 1.669 4.166 8.546 439 HB ILE 59 HB ILE 59 -1.277 3.470 8.813 440 HG12 ILE 59 HG12 ILE 59 0.513 3.735 6.387 441 HG13 ILE 59 HG13 ILE 59 -0.658 2.481 6.764 442 HG21 ILE 59 HG21 ILE 59 -0.718 5.786 9.510 443 HG22 ILE 59 HG22 ILE 59 0.065 6.050 7.933 444 HG23 ILE 59 HG23 ILE 59 -1.681 5.762 8.067 445 HD11 ILE 59 HD11 ILE 59 -1.280 5.324 5.859 446 HD12 ILE 59 HD12 ILE 59 -1.434 3.839 4.924 447 HD13 ILE 59 HD13 ILE 59 -2.506 4.108 6.323 448 H THR 60 H THR 60 1.567 5.672 10.162 449 HA THR 60 HA THR 60 0.390 4.929 12.782 450 HB THR 60 HB THR 60 2.580 3.934 12.985 451 HG1 THR 60 HG1 THR 60 3.216 5.089 14.840 452 HG21 THR 60 HG21 THR 60 3.769 6.708 12.538 453 HG22 THR 60 HG22 THR 60 3.897 5.337 11.414 454 HG23 THR 60 HG23 THR 60 4.637 5.229 13.012 455 H ASN 61 H ASN 61 0.150 6.594 14.282 456 HA ASN 61 HA ASN 61 0.134 9.366 13.263 457 HB2 ASN 61 HB2 ASN 61 -1.191 9.796 15.261 458 HB3 ASN 61 HB3 ASN 61 -1.900 8.498 14.320 459 HD21 ASN 61 HD21 ASN 61 -2.231 6.483 15.365 460 HD22 ASN 61 HD22 ASN 61 -1.680 6.206 17.011 461 H THR 62 H THR 62 2.402 7.405 14.621 462 HA THR 62 HA THR 62 4.154 9.592 15.342 463 HB THR 62 HB THR 62 3.019 9.530 17.428 464 HG1 THR 62 HG1 THR 62 5.371 8.099 17.950 465 HG21 THR 62 HG21 THR 62 3.733 6.607 17.854 466 HG22 THR 62 HG22 THR 62 2.119 7.187 17.406 467 HG23 THR 62 HG23 THR 62 2.852 7.694 18.937 468 H ARG 63 H ARG 63 5.787 8.934 14.020 469 HA ARG 63 HA ARG 63 6.592 6.146 13.702 470 HB2 ARG 63 HB2 ARG 63 7.020 7.867 11.906 471 HB3 ARG 63 HB3 ARG 63 8.150 8.662 13.016 472 HG2 ARG 63 HG2 ARG 63 9.181 6.138 13.080 473 HG3 ARG 63 HG3 ARG 63 8.337 6.032 11.537 474 HD2 ARG 63 HD2 ARG 63 10.484 7.979 12.415 475 HD3 ARG 63 HD3 ARG 63 10.611 6.699 11.179 476 HE ARG 63 HE ARG 63 8.656 8.232 10.113 477 HH11 ARG 63 HH11 ARG 63 11.556 9.481 11.574 478 HH12 ARG 63 HH12 ARG 63 11.744 10.734 10.378 479 HH21 ARG 63 HH21 ARG 63 8.980 9.776 8.563 480 HH22 ARG 63 HH22 ARG 63 10.318 10.875 8.703 481 H ASP 64 H ASP 64 7.248 5.115 15.427 482 HA ASP 64 HA ASP 64 9.387 6.261 17.175 483 HB2 ASP 64 HB2 ASP 64 7.143 5.640 18.162 484 HB3 ASP 64 HB3 ASP 64 7.482 3.963 17.742 485 H VAL 65 H VAL 65 9.397 4.529 14.501 486 HA VAL 65 HA VAL 65 10.796 2.089 15.272 487 HB VAL 65 HB VAL 65 10.143 3.365 12.589 488 HG11 VAL 65 HG11 VAL 65 11.505 0.708 13.184 489 HG12 VAL 65 HG12 VAL 65 10.754 1.114 11.637 490 HG13 VAL 65 HG13 VAL 65 12.127 2.055 12.190 491 HG21 VAL 65 HG21 VAL 65 8.527 1.512 12.446 492 HG22 VAL 65 HG22 VAL 65 9.053 0.895 14.025 493 HG23 VAL 65 HG23 VAL 65 8.217 2.458 13.897 494 H ASP 66 H ASP 66 12.868 1.642 15.256 495 HA ASP 66 HA ASP 66 14.892 3.569 14.172 496 HB2 ASP 66 HB2 ASP 66 14.622 3.524 16.707 497 HB3 ASP 66 HB3 ASP 66 15.205 1.864 16.661 498 H CYS 67 H CYS 67 13.571 0.831 13.373 499 HA CYS 67 HA CYS 67 14.045 -1.173 12.449 500 HB2 CYS 67 HB2 CYS 67 16.380 0.306 11.250 501 HB3 CYS 67 HB3 CYS 67 15.494 -1.063 10.564 502 H ASP 68 H ASP 68 14.877 -1.161 14.995 503 HA ASP 68 HA ASP 68 16.880 -3.298 15.157 504 HB2 ASP 68 HB2 ASP 68 18.063 -1.018 15.336 505 HB3 ASP 68 HB3 ASP 68 17.231 -0.810 16.874 506 H ASN 69 H ASN 69 14.447 -1.246 16.770 507 HA ASN 69 HA ASN 69 14.059 -3.161 18.978 508 HB2 ASN 69 HB2 ASN 69 12.894 -0.391 18.488 509 HB3 ASN 69 HB3 ASN 69 12.646 -1.379 19.923 510 HD21 ASN 69 HD21 ASN 69 14.837 0.769 18.310 511 HD22 ASN 69 HD22 ASN 69 16.093 0.711 19.530 512 H ILE 70 H ILE 70 12.818 -2.792 15.848 513 HA ILE 70 HA ILE 70 10.025 -3.015 16.221 514 HB ILE 70 HB ILE 70 9.900 -3.627 13.900 515 HG12 ILE 70 HG12 ILE 70 12.874 -4.221 14.139 516 HG13 ILE 70 HG13 ILE 70 11.569 -5.273 13.559 517 HG21 ILE 70 HG21 ILE 70 10.378 -1.288 14.672 518 HG22 ILE 70 HG22 ILE 70 12.096 -1.554 14.295 519 HG23 ILE 70 HG23 ILE 70 10.864 -1.622 13.011 520 HD11 ILE 70 HD11 ILE 70 11.297 -3.772 11.583 521 HD12 ILE 70 HD12 ILE 70 12.725 -2.865 12.149 522 HD13 ILE 70 HD13 ILE 70 12.881 -4.568 11.693 523 H MET 71 H MET 71 12.358 -5.314 16.868 524 HA MET 71 HA MET 71 10.915 -7.782 16.523 525 HB2 MET 71 HB2 MET 71 13.366 -7.376 17.234 526 HB3 MET 71 HB3 MET 71 12.757 -7.250 18.881 527 HG2 MET 71 HG2 MET 71 12.155 -9.609 17.052 528 HG3 MET 71 HG3 MET 71 13.629 -9.529 18.002 529 HE1 MET 71 HE1 MET 71 10.965 -12.238 19.481 530 HE2 MET 71 HE2 MET 71 10.816 -11.560 17.847 531 HE3 MET 71 HE3 MET 71 12.407 -12.083 18.452 532 H SER 72 H SER 72 10.640 -5.252 18.969 533 HA SER 72 HA SER 72 8.785 -6.679 20.714 534 HB2 SER 72 HB2 SER 72 10.452 -4.837 21.333 535 HB3 SER 72 HB3 SER 72 9.337 -3.694 20.572 536 HG SER 72 HG SER 72 8.837 -5.424 22.799 537 H THR 73 H THR 73 8.333 -5.174 17.697 538 HA THR 73 HA THR 73 5.540 -4.249 18.252 539 HB THR 73 HB THR 73 5.630 -2.950 16.280 540 HG1 THR 73 HG1 THR 73 8.030 -4.347 15.723 541 HG21 THR 73 HG21 THR 73 8.339 -2.617 17.635 542 HG22 THR 73 HG22 THR 73 6.806 -1.889 18.152 543 HG23 THR 73 HG23 THR 73 7.520 -1.440 16.590 544 H ASN 74 H ASN 74 4.217 -4.422 15.995 545 HA ASN 74 HA ASN 74 3.670 -7.191 15.431 546 HB2 ASN 74 HB2 ASN 74 2.975 -4.749 13.734 547 HB3 ASN 74 HB3 ASN 74 2.185 -6.318 13.705 548 HD21 ASN 74 HD21 ASN 74 1.987 -3.185 14.977 549 HD22 ASN 74 HD22 ASN 74 0.811 -3.564 16.227 550 H LEU 75 H LEU 75 6.112 -5.080 14.183 551 HA LEU 75 HA LEU 75 6.233 -6.297 11.523 552 HB2 LEU 75 HB2 LEU 75 7.789 -3.996 12.768 553 HB3 LEU 75 HB3 LEU 75 7.772 -4.446 11.085 554 HG LEU 75 HG LEU 75 6.420 -2.663 11.044 555 HD11 LEU 75 HD11 LEU 75 4.342 -4.824 11.484 556 HD12 LEU 75 HD12 LEU 75 5.250 -4.546 9.978 557 HD13 LEU 75 HD13 LEU 75 4.150 -3.306 10.601 558 HD21 LEU 75 HD21 LEU 75 4.949 -3.439 13.573 559 HD22 LEU 75 HD22 LEU 75 4.706 -1.988 12.593 560 HD23 LEU 75 HD23 LEU 75 6.241 -2.230 13.439 561 H PHE 76 H PHE 76 7.324 -7.642 14.084 562 HA PHE 76 HA PHE 76 10.134 -7.912 14.015 563 HB2 PHE 76 HB2 PHE 76 9.800 -9.556 15.669 564 HB3 PHE 76 HB3 PHE 76 8.557 -8.342 15.927 565 HD1 PHE 76 HD1 PHE 76 6.151 -8.873 15.234 566 HD2 PHE 76 HD2 PHE 76 9.273 -11.839 15.202 567 HE1 PHE 76 HE1 PHE 76 4.439 -10.662 15.173 568 HE2 PHE 76 HE2 PHE 76 7.556 -13.637 15.150 569 HZ PHE 76 HZ PHE 76 5.137 -13.051 15.134 570 H HIS 77 H HIS 77 7.998 -9.089 11.781 571 HA HIS 77 HA HIS 77 8.706 -11.782 11.357 572 HB2 HIS 77 HB2 HIS 77 6.729 -10.271 10.493 573 HB3 HIS 77 HB3 HIS 77 7.754 -10.017 9.089 574 HD1 HIS 77 HD1 HIS 77 8.786 -12.888 8.497 575 HD2 HIS 77 HD2 HIS 77 4.913 -11.962 9.898 576 HE1 HIS 77 HE1 HIS 77 7.272 -14.895 7.853 577 HE2 HIS 77 HE2 HIS 77 4.908 -14.309 8.704 578 H CYS 78 H CYS 78 10.863 -9.370 10.992 579 HA CYS 78 HA CYS 78 12.807 -8.962 9.848 580 HB2 CYS 78 HB2 CYS 78 13.126 -11.228 11.004 581 HB3 CYS 78 HB3 CYS 78 12.999 -11.941 9.399 582 H LYS 79 H LYS 79 10.520 -8.728 8.269 583 HA LYS 79 HA LYS 79 10.801 -9.806 5.608 584 HB2 LYS 79 HB2 LYS 79 9.097 -7.997 5.028 585 HB3 LYS 79 HB3 LYS 79 8.651 -9.223 6.195 586 HG2 LYS 79 HG2 LYS 79 7.777 -7.178 6.977 587 HG3 LYS 79 HG3 LYS 79 9.064 -7.643 8.064 588 HD2 LYS 79 HD2 LYS 79 10.099 -5.920 5.937 589 HD3 LYS 79 HD3 LYS 79 8.684 -5.192 6.646 590 HE2 LYS 79 HE2 LYS 79 11.122 -6.133 8.245 591 HE3 LYS 79 HE3 LYS 79 10.887 -4.496 7.645 592 HZ1 LYS 79 HZ1 LYS 79 10.118 -4.550 9.875 593 HZ2 LYS 79 HZ2 LYS 79 9.208 -5.876 9.675 594 HZ3 LYS 79 HZ3 LYS 79 8.755 -4.458 8.961 595 H ASP 80 H ASP 80 11.236 -8.686 3.664 596 HA ASP 80 HA ASP 80 13.852 -7.646 3.634 597 HB2 ASP 80 HB2 ASP 80 11.714 -7.544 1.469 598 HB3 ASP 80 HB3 ASP 80 13.426 -7.221 1.209 599 H LYS 81 H LYS 81 10.830 -5.843 3.515 600 HA LYS 81 HA LYS 81 12.058 -3.547 4.645 601 HB2 LYS 81 HB2 LYS 81 11.346 -1.873 2.845 602 HB3 LYS 81 HB3 LYS 81 12.769 -2.828 2.484 603 HG2 LYS 81 HG2 LYS 81 11.678 -4.193 0.937 604 HG3 LYS 81 HG3 LYS 81 10.058 -3.696 1.451 605 HD2 LYS 81 HD2 LYS 81 11.988 -1.648 0.338 606 HD3 LYS 81 HD3 LYS 81 11.149 -2.717 -0.772 607 HE2 LYS 81 HE2 LYS 81 9.665 -1.049 1.306 608 HE3 LYS 81 HE3 LYS 81 10.119 -0.400 -0.269 609 HZ1 LYS 81 HZ1 LYS 81 8.839 -2.153 -1.334 610 HZ2 LYS 81 HZ2 LYS 81 7.883 -1.306 -0.321 611 HZ3 LYS 81 HZ3 LYS 81 8.404 -2.796 0.105 612 H ASN 82 H ASN 82 10.587 -1.859 5.198 613 HA ASN 82 HA ASN 82 7.734 -2.302 4.553 614 HB2 ASN 82 HB2 ASN 82 8.313 -3.023 7.004 615 HB3 ASN 82 HB3 ASN 82 8.502 -1.298 7.320 616 HD21 ASN 82 HD21 ASN 82 6.696 -2.076 8.889 617 HD22 ASN 82 HD22 ASN 82 5.060 -2.055 8.269 618 H THR 83 H THR 83 6.503 -0.339 4.567 619 HA THR 83 HA THR 83 8.103 2.183 4.306 620 HB THR 83 HB THR 83 5.694 1.330 2.652 621 HG1 THR 83 HG1 THR 83 8.420 1.664 1.934 622 HG21 THR 83 HG21 THR 83 5.786 3.755 2.957 623 HG22 THR 83 HG22 THR 83 6.315 3.345 1.323 624 HG23 THR 83 HG23 THR 83 7.516 3.769 2.566 625 H PHE 84 H PHE 84 7.691 3.004 6.295 626 HA PHE 84 HA PHE 84 5.000 3.003 7.461 627 HB2 PHE 84 HB2 PHE 84 7.529 4.244 8.499 628 HB3 PHE 84 HB3 PHE 84 5.993 4.195 9.343 629 HD1 PHE 84 HD2 PHE 84 4.965 1.756 9.662 630 HD2 PHE 84 HD1 PHE 84 9.137 2.679 9.020 631 HE1 PHE 84 HE2 PHE 84 5.603 -0.406 10.702 632 HE2 PHE 84 HE1 PHE 84 9.752 0.406 9.851 633 HZ PHE 84 HZ PHE 84 8.006 -1.090 10.796 634 H ILE 85 H ILE 85 3.555 4.470 7.049 635 HA ILE 85 HA ILE 85 4.259 7.174 5.966 636 HB ILE 85 HB ILE 85 1.650 5.638 6.162 637 HG12 ILE 85 HG12 ILE 85 3.172 6.457 3.644 638 HG13 ILE 85 HG13 ILE 85 3.343 4.873 4.401 639 HG21 ILE 85 HG21 ILE 85 0.577 7.428 4.904 640 HG22 ILE 85 HG22 ILE 85 1.237 8.077 6.385 641 HG23 ILE 85 HG23 ILE 85 2.100 8.352 4.853 642 HD11 ILE 85 HD11 ILE 85 0.789 5.997 3.211 643 HD12 ILE 85 HD12 ILE 85 1.756 4.632 2.631 644 HD13 ILE 85 HD13 ILE 85 0.885 4.514 4.182 645 H TYR 86 H TYR 86 4.559 8.726 7.549 646 HA TYR 86 HA TYR 86 2.939 8.573 10.022 647 HB2 TYR 86 HB2 TYR 86 5.252 9.043 10.345 648 HB3 TYR 86 HB3 TYR 86 5.193 10.358 9.188 649 HD1 TYR 86 HD2 TYR 86 2.421 9.995 11.671 650 HD2 TYR 86 HD1 TYR 86 6.220 11.865 10.810 651 HE1 TYR 86 HE2 TYR 86 2.010 11.668 13.436 652 HE2 TYR 86 HE1 TYR 86 5.804 13.525 12.609 653 HH TYR 86 HH TYR 86 4.343 14.271 14.209 654 H SER 87 H SER 87 0.879 8.866 9.223 655 HA SER 87 HA SER 87 0.163 11.697 8.841 656 HB2 SER 87 HB2 SER 87 -1.264 11.348 6.945 657 HB3 SER 87 HB3 SER 87 0.321 10.688 6.535 658 HG SER 87 HG SER 87 -2.089 9.342 7.138 659 H ARG 88 H ARG 88 -2.300 11.918 8.915 660 HA ARG 88 HA ARG 88 -3.557 10.250 11.043 661 HB2 ARG 88 HB2 ARG 88 -4.570 12.695 9.504 662 HB3 ARG 88 HB3 ARG 88 -5.424 11.892 10.820 663 HG2 ARG 88 HG2 ARG 88 -3.339 12.370 12.280 664 HG3 ARG 88 HG3 ARG 88 -2.805 13.419 10.965 665 HD2 ARG 88 HD2 ARG 88 -3.868 14.922 12.334 666 HD3 ARG 88 HD3 ARG 88 -5.157 14.537 11.183 667 HE ARG 88 HE ARG 88 -5.272 12.768 13.467 668 HH11 ARG 88 HH11 ARG 88 -6.069 16.067 12.654 669 HH12 ARG 88 HH12 ARG 88 -7.133 16.251 14.023 670 HH21 ARG 88 HH21 ARG 88 -6.624 13.054 15.201 671 HH22 ARG 88 HH22 ARG 88 -7.430 14.578 15.421 672 HA PRO 89 HA PRO 89 -5.676 7.756 8.049 673 HB2 PRO 89 HB2 PRO 89 -8.189 7.342 9.094 674 HB3 PRO 89 HB3 PRO 89 -6.693 6.611 9.752 675 HG2 PRO 89 HG2 PRO 89 -8.122 9.118 10.692 676 HG3 PRO 89 HG3 PRO 89 -7.551 7.733 11.680 677 HD2 PRO 89 HD2 PRO 89 -6.078 9.979 11.461 678 HD3 PRO 89 HD3 PRO 89 -5.285 8.381 11.438 679 H GLU 90 H GLU 90 -7.118 10.881 8.780 680 HA GLU 90 HA GLU 90 -9.314 10.809 6.953 681 HB2 GLU 90 HB2 GLU 90 -7.784 13.155 8.127 682 HB3 GLU 90 HB3 GLU 90 -9.237 13.304 7.129 683 HG2 GLU 90 HG2 GLU 90 -10.475 11.886 8.772 684 HG3 GLU 90 HG3 GLU 90 -9.032 11.828 9.788 685 HA PRO 91 HA PRO 91 -6.644 12.825 3.538 686 HB2 PRO 91 HB2 PRO 91 -3.903 12.866 3.711 687 HB3 PRO 91 HB3 PRO 91 -4.939 14.163 4.372 688 HG2 PRO 91 HG2 PRO 91 -3.724 11.796 5.824 689 HG3 PRO 91 HG3 PRO 91 -3.704 13.520 6.317 690 HD2 PRO 91 HD2 PRO 91 -5.502 11.781 7.320 691 HD3 PRO 91 HD3 PRO 91 -5.979 13.449 6.962 692 H VAL 92 H VAL 92 -6.207 9.867 4.955 693 HA VAL 92 HA VAL 92 -5.016 8.541 2.537 694 HB VAL 92 HB VAL 92 -5.675 7.274 5.221 695 HG11 VAL 92 HG11 VAL 92 -3.864 6.425 2.919 696 HG12 VAL 92 HG12 VAL 92 -4.024 5.578 4.469 697 HG13 VAL 92 HG13 VAL 92 -5.410 5.683 3.377 698 HG21 VAL 92 HG21 VAL 92 -3.355 7.432 5.874 699 HG22 VAL 92 HG22 VAL 92 -2.928 8.252 4.369 700 HG23 VAL 92 HG23 VAL 92 -3.935 9.066 5.573 701 H LYS 93 H LYS 93 -7.794 8.192 4.769 702 HA LYS 93 HA LYS 93 -9.200 6.393 3.024 703 HB2 LYS 93 HB2 LYS 93 -9.527 7.043 5.637 704 HB3 LYS 93 HB3 LYS 93 -10.800 8.050 4.941 705 HG2 LYS 93 HG2 LYS 93 -11.324 5.766 3.597 706 HG3 LYS 93 HG3 LYS 93 -10.511 5.040 4.987 707 HD2 LYS 93 HD2 LYS 93 -13.001 6.824 5.084 708 HD3 LYS 93 HD3 LYS 93 -12.965 5.064 5.116 709 HE2 LYS 93 HE2 LYS 93 -13.214 5.475 7.324 710 HE3 LYS 93 HE3 LYS 93 -11.468 5.264 7.186 711 HZ1 LYS 93 HZ1 LYS 93 -12.055 7.176 8.557 712 HZ2 LYS 93 HZ2 LYS 93 -12.862 7.882 7.331 713 HZ3 LYS 93 HZ3 LYS 93 -11.235 7.692 7.244 714 H ALA 94 H ALA 94 -9.493 9.900 3.450 715 HA ALA 94 HA ALA 94 -11.859 10.135 1.805 716 HB1 ALA 94 HB1 ALA 94 -11.640 12.503 2.247 717 HB2 ALA 94 HB2 ALA 94 -11.309 11.603 3.741 718 HB3 ALA 94 HB3 ALA 94 -9.965 12.294 2.792 719 H ILE 95 H ILE 95 -8.653 9.729 0.823 720 HA ILE 95 HA ILE 95 -8.441 11.336 -1.488 721 HB ILE 95 HB ILE 95 -7.579 8.428 -1.263 722 HG12 ILE 95 HG12 ILE 95 -5.914 10.900 -0.594 723 HG13 ILE 95 HG13 ILE 95 -6.709 9.904 0.615 724 HG21 ILE 95 HG21 ILE 95 -7.489 9.441 -3.584 725 HG22 ILE 95 HG22 ILE 95 -6.414 10.698 -2.955 726 HG23 ILE 95 HG23 ILE 95 -5.919 8.991 -2.961 727 HD11 ILE 95 HD11 ILE 95 -4.409 9.246 0.486 728 HD12 ILE 95 HD12 ILE 95 -5.410 7.918 -0.116 729 HD13 ILE 95 HD13 ILE 95 -4.506 8.951 -1.252 730 H CYS 96 H CYS 96 -10.366 8.425 -0.905 731 HA CYS 96 HA CYS 96 -11.699 8.742 -3.563 732 HB2 CYS 96 HB2 CYS 96 -12.445 6.432 -3.273 733 HB3 CYS 96 HB3 CYS 96 -10.693 6.590 -3.408 734 H LYS 97 H LYS 97 -13.940 8.458 -3.652 735 HA LYS 97 HA LYS 97 -15.605 8.470 -1.249 736 HB2 LYS 97 HB2 LYS 97 -14.803 10.881 -1.585 737 HB3 LYS 97 HB3 LYS 97 -15.702 10.905 -3.090 738 HG2 LYS 97 HG2 LYS 97 -16.968 11.967 -1.339 739 HG3 LYS 97 HG3 LYS 97 -17.815 10.493 -1.809 740 HD2 LYS 97 HD2 LYS 97 -17.139 9.339 0.175 741 HD3 LYS 97 HD3 LYS 97 -15.899 10.533 0.570 742 HE2 LYS 97 HE2 LYS 97 -18.883 11.165 0.514 743 HE3 LYS 97 HE3 LYS 97 -18.053 10.562 1.951 744 HZ1 LYS 97 HZ1 LYS 97 -17.364 13.092 0.553 745 HZ2 LYS 97 HZ2 LYS 97 -16.592 12.505 1.871 746 HZ3 LYS 97 HZ3 LYS 97 -18.149 12.974 1.977 747 H GLY 98 H GLY 98 -16.904 6.863 -1.841 748 HA2 GLY 98 HA2 GLY 98 -18.791 5.930 -2.906 749 HA3 GLY 98 HA3 GLY 98 -18.651 7.092 -4.212 750 H ILE 99 H ILE 99 -15.619 5.724 -3.793 751 HA ILE 99 HA ILE 99 -15.800 4.229 -6.273 752 HB ILE 99 HB ILE 99 -13.495 4.636 -4.339 753 HG12 ILE 99 HG12 ILE 99 -14.282 5.918 -7.000 754 HG13 ILE 99 HG13 ILE 99 -14.259 6.694 -5.420 755 HG21 ILE 99 HG21 ILE 99 -12.053 3.775 -6.156 756 HG22 ILE 99 HG22 ILE 99 -13.132 2.531 -5.586 757 HG23 ILE 99 HG23 ILE 99 -13.481 3.372 -7.125 758 HD11 ILE 99 HD11 ILE 99 -11.882 5.880 -7.109 759 HD12 ILE 99 HD12 ILE 99 -12.350 7.490 -6.535 760 HD13 ILE 99 HD13 ILE 99 -11.726 6.292 -5.391 761 H ILE 100 H ILE 100 -16.527 2.305 -6.468 762 HA ILE 100 HA ILE 100 -16.019 0.166 -4.429 763 HB ILE 100 HB ILE 100 -18.101 0.032 -6.627 764 HG12 ILE 100 HG12 ILE 100 -18.415 1.189 -3.826 765 HG13 ILE 100 HG13 ILE 100 -18.677 2.031 -5.355 766 HG21 ILE 100 HG21 ILE 100 -19.112 -1.675 -5.221 767 HG22 ILE 100 HG22 ILE 100 -17.421 -2.091 -5.384 768 HG23 ILE 100 HG23 ILE 100 -17.993 -1.302 -3.897 769 HD11 ILE 100 HD11 ILE 100 -20.610 0.514 -5.830 770 HD12 ILE 100 HD12 ILE 100 -20.443 -0.124 -4.172 771 HD13 ILE 100 HD13 ILE 100 -20.807 1.586 -4.428 772 H ALA 101 H ALA 101 -15.041 1.305 -7.425 773 HA ALA 101 HA ALA 101 -14.773 -1.053 -8.994 774 HB1 ALA 101 HB1 ALA 101 -13.497 1.701 -9.298 775 HB2 ALA 101 HB2 ALA 101 -13.710 0.491 -10.580 776 HB3 ALA 101 HB3 ALA 101 -15.130 1.247 -9.846 777 H SER 102 H SER 102 -12.920 -0.592 -6.351 778 HA SER 102 HA SER 102 -10.806 -1.009 -5.639 779 HB2 SER 102 HB2 SER 102 -11.549 -3.247 -6.385 780 HB3 SER 102 HB3 SER 102 -10.588 -3.024 -7.861 781 HG SER 102 HG SER 102 -9.490 -4.086 -6.055 782 H LYS 103 H LYS 103 -10.368 1.246 -6.378 783 HA LYS 103 HA LYS 103 -7.849 1.457 -7.849 784 HB2 LYS 103 HB2 LYS 103 -9.522 1.388 -9.682 785 HB3 LYS 103 HB3 LYS 103 -10.338 2.796 -9.011 786 HG2 LYS 103 HG2 LYS 103 -8.518 4.239 -9.521 787 HG3 LYS 103 HG3 LYS 103 -7.386 2.903 -9.761 788 HD2 LYS 103 HD2 LYS 103 -9.804 3.350 -11.559 789 HD3 LYS 103 HD3 LYS 103 -8.224 4.094 -11.859 790 HE2 LYS 103 HE2 LYS 103 -7.140 1.894 -11.961 791 HE3 LYS 103 HE3 LYS 103 -8.666 1.085 -11.590 792 HZ1 LYS 103 HZ1 LYS 103 -8.169 2.719 -14.023 793 HZ2 LYS 103 HZ2 LYS 103 -9.565 1.938 -13.680 794 HZ3 LYS 103 HZ3 LYS 103 -8.205 1.089 -13.977 795 H ASN 104 H ASN 104 -6.781 3.519 -7.376 796 HA ASN 104 HA ASN 104 -8.434 5.635 -6.208 797 HB2 ASN 104 HB2 ASN 104 -7.023 4.029 -4.500 798 HB3 ASN 104 HB3 ASN 104 -5.800 5.237 -4.832 799 HD21 ASN 104 HD21 ASN 104 -6.981 4.821 -2.262 800 HD22 ASN 104 HD22 ASN 104 -7.746 6.341 -1.858 801 H VAL 105 H VAL 105 -6.533 7.504 -5.668 802 HA VAL 105 HA VAL 105 -4.831 7.821 -8.102 803 HB VAL 105 HB VAL 105 -6.337 10.083 -6.723 804 HG11 VAL 105 HG11 VAL 105 -4.786 9.966 -9.354 805 HG12 VAL 105 HG12 VAL 105 -5.686 11.371 -8.740 806 HG13 VAL 105 HG13 VAL 105 -4.267 10.800 -7.872 807 HG21 VAL 105 HG21 VAL 105 -7.005 8.676 -9.346 808 HG22 VAL 105 HG22 VAL 105 -8.012 8.722 -7.881 809 HG23 VAL 105 HG23 VAL 105 -7.727 10.203 -8.790 810 H LEU 106 H LEU 106 -2.772 8.520 -7.649 811 HA LEU 106 HA LEU 106 -1.572 8.492 -5.125 812 HB2 LEU 106 HB2 LEU 106 -0.382 8.472 -7.319 813 HB3 LEU 106 HB3 LEU 106 -0.889 10.122 -7.622 814 HG LEU 106 HG LEU 106 0.499 10.785 -5.560 815 HD11 LEU 106 HD11 LEU 106 2.127 9.304 -4.704 816 HD12 LEU 106 HD12 LEU 106 1.784 8.088 -5.965 817 HD13 LEU 106 HD13 LEU 106 0.594 8.420 -4.705 818 HD21 LEU 106 HD21 LEU 106 1.858 9.569 -7.979 819 HD22 LEU 106 HD22 LEU 106 2.629 10.678 -6.816 820 HD23 LEU 106 HD23 LEU 106 1.273 11.233 -7.810 821 H THR 107 H THR 107 -1.189 9.972 -3.495 822 HA THR 107 HA THR 107 -2.914 12.254 -3.160 823 HB THR 107 HB THR 107 -0.721 12.666 -1.450 824 HG1 THR 107 HG1 THR 107 -1.384 9.948 -1.323 825 HG21 THR 107 HG21 THR 107 -2.276 11.694 0.278 826 HG22 THR 107 HG22 THR 107 -3.333 11.144 -1.030 827 HG23 THR 107 HG23 THR 107 -3.071 12.882 -0.775 828 H THR 108 H THR 108 -1.978 14.415 -2.487 829 HA THR 108 HA THR 108 -0.060 15.428 -4.573 830 HB THR 108 HB THR 108 -2.382 16.057 -5.024 831 HG1 THR 108 HG1 THR 108 -0.804 17.421 -5.743 832 HG21 THR 108 HG21 THR 108 -3.529 17.746 -3.703 833 HG22 THR 108 HG22 THR 108 -2.241 17.745 -2.488 834 HG23 THR 108 HG23 THR 108 -3.264 16.304 -2.713 835 H SER 109 H SER 109 -0.994 15.648 -1.189 836 HA SER 109 HA SER 109 0.939 17.678 -0.424 837 HB2 SER 109 HB2 SER 109 -0.532 15.609 1.258 838 HB3 SER 109 HB3 SER 109 0.283 17.059 1.865 839 HG SER 109 HG SER 109 -1.220 18.326 0.690 840 H GLU 110 H GLU 110 2.573 17.159 1.342 841 HA GLU 110 HA GLU 110 4.113 14.706 0.635 842 HB2 GLU 110 HB2 GLU 110 5.278 17.378 1.408 843 HB3 GLU 110 HB3 GLU 110 6.132 15.931 0.854 844 HG2 GLU 110 HG2 GLU 110 4.698 16.106 -1.286 845 HG3 GLU 110 HG3 GLU 110 4.293 17.737 -0.759 846 H PHE 111 H PHE 111 3.848 13.299 2.162 847 HA PHE 111 HA PHE 111 3.607 14.053 5.017 848 HB2 PHE 111 HB2 PHE 111 3.249 11.312 3.763 849 HB3 PHE 111 HB3 PHE 111 2.665 11.867 5.323 850 HD1 PHE 111 HD2 PHE 111 2.198 12.024 1.669 851 HD2 PHE 111 HD1 PHE 111 0.516 13.093 5.487 852 HE1 PHE 111 HE2 PHE 111 0.088 12.631 0.557 853 HE2 PHE 111 HE1 PHE 111 -1.619 13.689 4.369 854 HZ PHE 111 HZ PHE 111 -1.836 13.445 1.880 855 H TYR 112 H TYR 112 4.713 12.611 6.621 856 HA TYR 112 HA TYR 112 7.574 12.426 6.010 857 HB2 TYR 112 HB2 TYR 112 5.826 12.386 8.416 858 HB3 TYR 112 HB3 TYR 112 7.253 11.368 8.507 859 HD1 TYR 112 HD2 TYR 112 6.879 14.731 6.830 860 HD2 TYR 112 HD1 TYR 112 8.612 12.443 10.052 861 HE1 TYR 112 HE2 TYR 112 8.310 16.676 7.449 862 HE2 TYR 112 HE1 TYR 112 10.038 14.389 10.668 863 HH TYR 112 HH TYR 112 10.631 16.541 10.176 864 H LEU 113 H LEU 113 8.104 10.849 4.674 865 HA LEU 113 HA LEU 113 7.013 8.110 5.034 866 HB2 LEU 113 HB2 LEU 113 8.008 9.688 2.749 867 HB3 LEU 113 HB3 LEU 113 8.654 8.061 2.793 868 HG LEU 113 HG LEU 113 6.616 8.241 1.459 869 HD11 LEU 113 HD11 LEU 113 6.137 6.470 3.869 870 HD12 LEU 113 HD12 LEU 113 7.238 6.113 2.518 871 HD13 LEU 113 HD13 LEU 113 5.500 6.277 2.226 872 HD21 LEU 113 HD21 LEU 113 4.428 8.566 2.382 873 HD22 LEU 113 HD22 LEU 113 5.428 9.968 2.801 874 HD23 LEU 113 HD23 LEU 113 5.072 8.735 4.027 875 H SER 114 H SER 114 8.044 6.512 5.861 876 HA SER 114 HA SER 114 10.975 6.669 6.459 877 HB2 SER 114 HB2 SER 114 9.598 7.287 8.387 878 HB3 SER 114 HB3 SER 114 8.675 5.823 8.228 879 HG SER 114 HG SER 114 10.212 5.387 9.757 880 H ASP 115 H ASP 115 11.727 5.271 4.932 881 HA ASP 115 HA ASP 115 10.609 2.503 4.809 882 HB2 ASP 115 HB2 ASP 115 12.570 4.023 3.056 883 HB3 ASP 115 HB3 ASP 115 12.294 2.291 2.925 884 H CYS 116 H CYS 116 12.006 0.727 5.065 885 HA CYS 116 HA CYS 116 14.819 1.147 5.826 886 HB2 CYS 116 HB2 CYS 116 12.787 0.393 7.806 887 HB3 CYS 116 HB3 CYS 116 14.050 -0.822 7.671 888 H ASN 117 H ASN 117 15.946 -0.169 4.574 889 HA ASN 117 HA ASN 117 14.656 -2.630 3.432 890 HB2 ASN 117 HB2 ASN 117 16.691 -0.653 2.326 891 HB3 ASN 117 HB3 ASN 117 16.528 -2.282 1.677 892 HD21 ASN 117 HD21 ASN 117 14.548 0.666 2.352 893 HD22 ASN 117 HD22 ASN 117 13.544 0.414 0.929 894 H VAL 118 H VAL 118 15.628 -4.565 3.693 895 HA VAL 118 HA VAL 118 17.595 -4.957 5.736 896 HB VAL 118 HB VAL 118 16.420 -6.707 3.594 897 HG11 VAL 118 HG11 VAL 118 18.462 -7.628 5.670 898 HG12 VAL 118 HG12 VAL 118 17.447 -8.698 4.684 899 HG13 VAL 118 HG13 VAL 118 18.658 -7.693 3.899 900 HG21 VAL 118 HG21 VAL 118 16.275 -6.759 6.630 901 HG22 VAL 118 HG22 VAL 118 15.032 -6.126 5.530 902 HG23 VAL 118 HG23 VAL 118 15.409 -7.849 5.528 903 H THR 119 H THR 119 19.741 -5.517 5.710 904 HA THR 119 HA THR 119 21.249 -5.501 3.156 905 HB THR 119 HB THR 119 21.481 -3.249 3.678 906 HG1 THR 119 HG1 THR 119 23.361 -4.243 2.979 907 HG21 THR 119 HG21 THR 119 22.439 -2.323 5.705 908 HG22 THR 119 HG22 THR 119 22.479 -3.928 6.461 909 HG23 THR 119 HG23 THR 119 20.926 -3.174 6.042 910 H SER 120 H SER 120 21.403 -7.577 3.329 911 HA SER 120 HA SER 120 22.575 -9.128 5.483 912 HB2 SER 120 HB2 SER 120 22.338 -9.773 2.514 913 HB3 SER 120 HB3 SER 120 22.735 -10.928 3.798 914 HG SER 120 HG SER 120 20.687 -10.468 4.761 Start of MODEL 5 1 H1 ARG 1 H1 ARG 1 16.937 -7.088 17.177 2 H2 ARG 1 H2 ARG 1 18.323 -7.525 17.932 3 H3 ARG 1 H3 ARG 1 17.780 -5.975 18.004 4 HA ARG 1 HA ARG 1 18.200 -5.589 15.687 5 HB2 ARG 1 HB2 ARG 1 20.500 -6.787 17.272 6 HB3 ARG 1 HB3 ARG 1 20.735 -6.077 15.681 7 HG2 ARG 1 HG2 ARG 1 20.555 -3.959 16.393 8 HG3 ARG 1 HG3 ARG 1 19.231 -4.272 17.501 9 HD2 ARG 1 HD2 ARG 1 22.074 -5.136 18.131 10 HD3 ARG 1 HD3 ARG 1 21.519 -3.480 18.417 11 HE ARG 1 HE ARG 1 19.584 -4.880 19.707 12 HH11 ARG 1 HH11 ARG 1 23.048 -4.860 20.065 13 HH12 ARG 1 HH12 ARG 1 22.959 -5.244 21.764 14 HH21 ARG 1 HH21 ARG 1 19.523 -5.437 21.830 15 HH22 ARG 1 HH22 ARG 1 21.007 -5.556 22.724 16 HA PRO 2 HA PRO 2 17.450 -9.930 14.464 17 HB2 PRO 2 HB2 PRO 2 15.178 -9.784 13.022 18 HB3 PRO 2 HB3 PRO 2 15.216 -9.546 14.778 19 HG2 PRO 2 HG2 PRO 2 15.229 -7.374 12.648 20 HG3 PRO 2 HG3 PRO 2 14.136 -7.531 14.055 21 HD2 PRO 2 HD2 PRO 2 16.362 -5.975 14.171 22 HD3 PRO 2 HD3 PRO 2 15.812 -6.939 15.568 23 H CYS 3 H CYS 3 17.015 -7.492 11.866 24 HA CYS 3 HA CYS 3 19.063 -8.877 10.215 25 HB2 CYS 3 HB2 CYS 3 16.506 -7.668 9.049 26 HB3 CYS 3 HB3 CYS 3 17.877 -8.256 8.161 27 H LYS 4 H LYS 4 20.131 -7.385 8.709 28 HA LYS 4 HA LYS 4 20.433 -4.624 9.790 29 HB2 LYS 4 HB2 LYS 4 21.939 -6.103 7.598 30 HB3 LYS 4 HB3 LYS 4 22.366 -4.520 8.227 31 HG2 LYS 4 HG2 LYS 4 22.404 -7.139 9.801 32 HG3 LYS 4 HG3 LYS 4 23.804 -6.368 9.080 33 HD2 LYS 4 HD2 LYS 4 22.105 -5.104 11.281 34 HD3 LYS 4 HD3 LYS 4 23.590 -6.024 11.538 35 HE2 LYS 4 HE2 LYS 4 24.842 -4.417 10.101 36 HE3 LYS 4 HE3 LYS 4 23.373 -3.451 9.914 37 HZ1 LYS 4 HZ1 LYS 4 24.731 -4.007 12.500 38 HZ2 LYS 4 HZ2 LYS 4 23.371 -3.112 12.331 39 HZ3 LYS 4 HZ3 LYS 4 24.783 -2.591 11.694 40 H TYR 5 H TYR 5 19.897 -2.820 8.679 41 HA TYR 5 HA TYR 5 18.694 -3.000 5.955 42 HB2 TYR 5 HB2 TYR 5 17.435 -1.597 8.346 43 HB3 TYR 5 HB3 TYR 5 16.839 -1.537 6.705 44 HD1 TYR 5 HD1 TYR 5 17.197 -3.691 9.701 45 HD2 TYR 5 HD2 TYR 5 15.516 -3.380 5.738 46 HE1 TYR 5 HE1 TYR 5 15.577 -5.515 10.230 47 HE2 TYR 5 HE2 TYR 5 13.820 -5.059 6.330 48 HH TYR 5 HH TYR 5 13.336 -6.731 7.729 49 H LYS 6 H LYS 6 18.512 -1.054 4.868 50 HA LYS 6 HA LYS 6 20.603 0.972 5.381 51 HB2 LYS 6 HB2 LYS 6 18.681 0.474 3.069 52 HB3 LYS 6 HB3 LYS 6 19.989 1.665 3.053 53 HG2 LYS 6 HG2 LYS 6 21.671 0.047 2.898 54 HG3 LYS 6 HG3 LYS 6 20.710 -1.206 3.674 55 HD2 LYS 6 HD2 LYS 6 20.989 -1.776 1.371 56 HD3 LYS 6 HD3 LYS 6 19.287 -1.454 1.727 57 HE2 LYS 6 HE2 LYS 6 19.482 0.790 0.691 58 HE3 LYS 6 HE3 LYS 6 21.224 0.571 0.483 59 HZ1 LYS 6 HZ1 LYS 6 20.017 0.115 -1.577 60 HZ2 LYS 6 HZ2 LYS 6 19.147 -1.072 -0.872 61 HZ3 LYS 6 HZ3 LYS 6 20.762 -1.241 -1.066 62 H LEU 7 H LEU 7 20.213 3.199 5.178 63 HA LEU 7 HA LEU 7 17.741 4.181 6.475 64 HB2 LEU 7 HB2 LEU 7 20.587 5.099 6.165 65 HB3 LEU 7 HB3 LEU 7 19.385 6.355 6.187 66 HG LEU 7 HG LEU 7 20.383 5.952 8.382 67 HD11 LEU 7 HD11 LEU 7 18.101 6.902 8.182 68 HD12 LEU 7 HD12 LEU 7 18.352 6.005 9.687 69 HD13 LEU 7 HD13 LEU 7 17.417 5.268 8.373 70 HD21 LEU 7 HD21 LEU 7 20.695 3.498 8.241 71 HD22 LEU 7 HD22 LEU 7 18.936 3.273 8.385 72 HD23 LEU 7 HD23 LEU 7 19.855 4.000 9.719 73 H LYS 8 H LYS 8 16.107 4.659 5.172 74 HA LYS 8 HA LYS 8 16.573 6.576 2.932 75 HB2 LYS 8 HB2 LYS 8 16.389 4.353 1.933 76 HB3 LYS 8 HB3 LYS 8 14.861 4.073 2.755 77 HG2 LYS 8 HG2 LYS 8 14.518 4.627 0.411 78 HG3 LYS 8 HG3 LYS 8 13.788 5.865 1.430 79 HD2 LYS 8 HD2 LYS 8 15.660 7.389 1.020 80 HD3 LYS 8 HD3 LYS 8 16.520 6.157 0.086 81 HE2 LYS 8 HE2 LYS 8 13.760 7.252 -0.634 82 HE3 LYS 8 HE3 LYS 8 15.265 7.962 -1.221 83 HZ1 LYS 8 HZ1 LYS 8 14.401 5.170 -1.762 84 HZ2 LYS 8 HZ2 LYS 8 15.803 5.842 -2.282 85 HZ3 LYS 8 HZ3 LYS 8 14.373 6.400 -2.832 86 H LYS 9 H LYS 9 15.878 8.294 4.077 87 HA LYS 9 HA LYS 9 13.010 8.363 4.989 88 HB2 LYS 9 HB2 LYS 9 15.251 10.242 5.823 89 HB3 LYS 9 HB3 LYS 9 13.607 10.192 6.454 90 HG2 LYS 9 HG2 LYS 9 15.806 8.126 6.854 91 HG3 LYS 9 HG3 LYS 9 15.113 9.207 8.060 92 HD2 LYS 9 HD2 LYS 9 12.917 8.012 7.855 93 HD3 LYS 9 HD3 LYS 9 13.654 6.915 6.672 94 HE2 LYS 9 HE2 LYS 9 15.442 6.441 8.486 95 HE3 LYS 9 HE3 LYS 9 14.318 7.204 9.614 96 HZ1 LYS 9 HZ1 LYS 9 13.930 4.826 9.555 97 HZ2 LYS 9 HZ2 LYS 9 13.758 4.809 7.925 98 HZ3 LYS 9 HZ3 LYS 9 12.631 5.537 8.853 99 H SER 10 H SER 10 11.637 9.773 4.167 100 HA SER 10 HA SER 10 12.485 11.796 2.145 101 HB2 SER 10 HB2 SER 10 10.544 9.503 1.625 102 HB3 SER 10 HB3 SER 10 10.809 10.883 0.543 103 HG SER 10 HG SER 10 12.053 9.134 -0.124 104 H THR 11 H THR 11 10.495 13.057 1.338 105 HA THR 11 HA THR 11 8.245 13.062 3.243 106 HB THR 11 HB THR 11 9.567 15.715 2.621 107 HG1 THR 11 HG1 THR 11 9.978 13.918 4.758 108 HG21 THR 11 HG21 THR 11 7.603 14.754 4.750 109 HG22 THR 11 HG22 THR 11 7.154 15.633 3.277 110 HG23 THR 11 HG23 THR 11 8.158 16.430 4.508 111 H ASN 12 H ASN 12 6.579 12.688 1.960 112 HA ASN 12 HA ASN 12 5.807 14.308 -0.301 113 HB2 ASN 12 HB2 ASN 12 6.209 12.474 -2.062 114 HB3 ASN 12 HB3 ASN 12 7.599 13.370 -1.492 115 HD21 ASN 12 HD21 ASN 12 5.924 10.437 -0.006 116 HD22 ASN 12 HD22 ASN 12 7.432 9.549 -0.114 117 H LYS 13 H LYS 13 4.075 13.255 -1.606 118 HA LYS 13 HA LYS 13 1.949 11.954 -0.158 119 HB2 LYS 13 HB2 LYS 13 1.005 11.720 -2.539 120 HB3 LYS 13 HB3 LYS 13 1.238 13.307 -1.866 121 HG2 LYS 13 HG2 LYS 13 3.533 12.332 -3.478 122 HG3 LYS 13 HG3 LYS 13 2.009 12.451 -4.353 123 HD2 LYS 13 HD2 LYS 13 1.702 14.770 -3.637 124 HD3 LYS 13 HD3 LYS 13 3.239 14.733 -2.757 125 HE2 LYS 13 HE2 LYS 13 4.445 14.231 -4.880 126 HE3 LYS 13 HE3 LYS 13 2.910 14.235 -5.758 127 HZ1 LYS 13 HZ1 LYS 13 2.649 16.586 -5.164 128 HZ2 LYS 13 HZ2 LYS 13 4.054 16.366 -5.963 129 HZ3 LYS 13 HZ3 LYS 13 4.067 16.587 -4.347 130 H PHE 14 H PHE 14 0.816 10.071 -1.221 131 HA PHE 14 HA PHE 14 2.557 7.793 -1.938 132 HB2 PHE 14 HB2 PHE 14 1.400 6.376 -0.168 133 HB3 PHE 14 HB3 PHE 14 2.617 7.502 0.395 134 HD1 PHE 14 HD2 PHE 14 -1.115 7.075 0.086 135 HD2 PHE 14 HD1 PHE 14 2.135 9.102 2.071 136 HE1 PHE 14 HE2 PHE 14 -2.726 8.150 1.642 137 HE2 PHE 14 HE1 PHE 14 0.510 10.135 3.643 138 HZ PHE 14 HZ PHE 14 -1.908 9.770 3.361 139 H CYS 15 H CYS 15 1.508 6.122 -2.981 140 HA CYS 15 HA CYS 15 -1.274 6.729 -3.921 141 HB2 CYS 15 HB2 CYS 15 0.517 6.741 -5.660 142 HB3 CYS 15 HB3 CYS 15 0.803 5.039 -5.349 143 H VAL 16 H VAL 16 -2.766 5.194 -3.970 144 HA VAL 16 HA VAL 16 -2.405 2.508 -2.732 145 HB VAL 16 HB VAL 16 -4.222 2.962 -1.079 146 HG11 VAL 16 HG11 VAL 16 -1.709 4.614 -0.629 147 HG12 VAL 16 HG12 VAL 16 -2.875 4.105 0.602 148 HG13 VAL 16 HG13 VAL 16 -1.937 2.885 -0.277 149 HG21 VAL 16 HG21 VAL 16 -4.873 5.143 -0.440 150 HG22 VAL 16 HG22 VAL 16 -3.630 5.916 -1.449 151 HG23 VAL 16 HG23 VAL 16 -4.999 5.104 -2.215 152 H THR 17 H THR 17 -4.762 1.446 -2.494 153 HA THR 17 HA THR 17 -6.488 2.304 -4.809 154 HB THR 17 HB THR 17 -6.374 -0.536 -3.881 155 HG1 THR 17 HG1 THR 17 -4.629 0.618 -5.801 156 HG21 THR 17 HG21 THR 17 -8.090 0.117 -5.486 157 HG22 THR 17 HG22 THR 17 -6.944 -1.051 -6.168 158 HG23 THR 17 HG23 THR 17 -6.815 0.658 -6.619 159 H CYS 18 H CYS 18 -8.555 2.911 -4.199 160 HA CYS 18 HA CYS 18 -9.581 2.109 -1.538 161 HB2 CYS 18 HB2 CYS 18 -10.189 4.358 -3.415 162 HB3 CYS 18 HB3 CYS 18 -11.522 3.659 -2.509 163 H GLU 19 H GLU 19 -11.117 0.706 -1.248 164 HA GLU 19 HA GLU 19 -12.872 -0.133 -3.479 165 HB2 GLU 19 HB2 GLU 19 -10.904 -1.757 -3.209 166 HB3 GLU 19 HB3 GLU 19 -11.571 -2.160 -1.621 167 HG2 GLU 19 HG2 GLU 19 -13.794 -2.629 -2.836 168 HG3 GLU 19 HG3 GLU 19 -12.903 -2.490 -4.346 169 H ASN 20 H ASN 20 -14.827 0.301 -2.792 170 HA ASN 20 HA ASN 20 -16.627 0.806 -1.502 171 HB2 ASN 20 HB2 ASN 20 -15.565 -1.441 0.244 172 HB3 ASN 20 HB3 ASN 20 -17.067 -0.588 0.559 173 HD21 ASN 20 HD21 ASN 20 -15.450 -2.391 -2.149 174 HD22 ASN 20 HD22 ASN 20 -16.981 -3.060 -2.699 175 H GLN 21 H GLN 21 -14.894 2.650 -1.470 176 HA GLN 21 HA GLN 21 -14.513 4.692 -0.584 177 HB2 GLN 21 HB2 GLN 21 -16.451 3.956 1.632 178 HB3 GLN 21 HB3 GLN 21 -15.973 5.563 1.090 179 HG2 GLN 21 HG2 GLN 21 -17.890 5.483 -0.100 180 HG3 GLN 21 HG3 GLN 21 -16.911 4.579 -1.257 181 HE21 GLN 21 HE21 GLN 21 -18.127 2.848 -2.010 182 HE22 GLN 21 HE22 GLN 21 -19.227 1.941 -0.969 183 H ALA 22 H ALA 22 -12.662 2.554 0.301 184 HA ALA 22 HA ALA 22 -11.342 3.942 2.450 185 HB1 ALA 22 HB1 ALA 22 -12.448 1.132 2.879 186 HB2 ALA 22 HB2 ALA 22 -11.382 2.032 3.999 187 HB3 ALA 22 HB3 ALA 22 -13.019 2.607 3.691 188 HA PRO 23 HA PRO 23 -8.187 2.058 -0.102 189 HB2 PRO 23 HB2 PRO 23 -5.967 3.112 0.987 190 HB3 PRO 23 HB3 PRO 23 -7.222 4.071 0.109 191 HG2 PRO 23 HG2 PRO 23 -6.989 3.709 3.111 192 HG3 PRO 23 HG3 PRO 23 -7.093 5.237 2.188 193 HD2 PRO 23 HD2 PRO 23 -9.296 4.008 3.273 194 HD3 PRO 23 HD3 PRO 23 -9.365 4.903 1.724 195 H VAL 24 H VAL 24 -8.206 -0.079 0.071 196 HA VAL 24 HA VAL 24 -7.151 -1.425 2.509 197 HB VAL 24 HB VAL 24 -8.307 -3.385 1.860 198 HG11 VAL 24 HG11 VAL 24 -10.521 -2.760 2.191 199 HG12 VAL 24 HG12 VAL 24 -9.635 -1.358 2.824 200 HG13 VAL 24 HG13 VAL 24 -10.377 -1.266 1.238 201 HG21 VAL 24 HG21 VAL 24 -8.041 -3.291 -0.616 202 HG22 VAL 24 HG22 VAL 24 -9.701 -3.610 -0.112 203 HG23 VAL 24 HG23 VAL 24 -9.239 -1.987 -0.690 204 H HIS 25 H HIS 25 -5.543 -0.199 0.075 205 HA HIS 25 HA HIS 25 -3.712 -2.513 -0.243 206 HB2 HIS 25 HB2 HIS 25 -5.620 -2.650 -2.000 207 HB3 HIS 25 HB3 HIS 25 -5.001 -1.134 -2.592 208 HD1 HIS 25 HD1 HIS 25 -3.698 -1.510 -4.724 209 HD2 HIS 25 HD2 HIS 25 -3.239 -4.565 -1.838 210 HE1 HIS 25 HE1 HIS 25 -1.998 -3.213 -5.710 211 HE2 HIS 25 HE2 HIS 25 -1.722 -5.060 -3.944 212 H PHE 26 H PHE 26 -1.628 -1.891 -0.783 213 HA PHE 26 HA PHE 26 -1.067 1.027 -1.023 214 HB2 PHE 26 HB2 PHE 26 0.018 -0.243 0.828 215 HB3 PHE 26 HB3 PHE 26 0.726 -1.337 -0.345 216 HD1 PHE 26 HD1 PHE 26 0.486 2.453 0.003 217 HD2 PHE 26 HD2 PHE 26 3.039 -1.006 -0.504 218 HE1 PHE 26 HE1 PHE 26 2.453 3.923 -0.192 219 HE2 PHE 26 HE2 PHE 26 5.006 0.486 -0.667 220 HZ PHE 26 HZ PHE 26 4.715 2.941 -0.528 221 H VAL 27 H VAL 27 -0.051 1.891 -2.774 222 HA VAL 27 HA VAL 27 0.649 0.057 -5.061 223 HB VAL 27 HB VAL 27 -0.352 2.905 -5.199 224 HG11 VAL 27 HG11 VAL 27 1.217 2.488 -7.009 225 HG12 VAL 27 HG12 VAL 27 0.395 0.967 -7.422 226 HG13 VAL 27 HG13 VAL 27 -0.427 2.528 -7.648 227 HG21 VAL 27 HG21 VAL 27 -2.315 2.000 -6.284 228 HG22 VAL 27 HG22 VAL 27 -1.676 0.342 -6.149 229 HG23 VAL 27 HG23 VAL 27 -2.149 1.247 -4.694 230 H GLY 28 H GLY 28 1.641 3.252 -3.600 231 HA2 GLY 28 HA2 GLY 28 4.438 2.712 -3.935 232 HA3 GLY 28 HA3 GLY 28 3.835 3.604 -5.335 233 H VAL 29 H VAL 29 5.573 4.996 -4.458 234 HA VAL 29 HA VAL 29 4.640 6.937 -2.371 235 HB VAL 29 HB VAL 29 7.501 5.970 -2.797 236 HG11 VAL 29 HG11 VAL 29 7.899 7.162 -0.647 237 HG12 VAL 29 HG12 VAL 29 7.402 8.255 -1.944 238 HG13 VAL 29 HG13 VAL 29 6.219 7.757 -0.700 239 HG21 VAL 29 HG21 VAL 29 6.237 4.159 -1.771 240 HG22 VAL 29 HG22 VAL 29 7.241 4.926 -0.544 241 HG23 VAL 29 HG23 VAL 29 5.498 5.289 -0.605 242 H GLY 30 H GLY 30 4.541 9.007 -3.073 243 HA2 GLY 30 HA2 GLY 30 4.806 10.870 -4.392 244 HA3 GLY 30 HA3 GLY 30 6.378 10.245 -4.857 245 H SER 31 H SER 31 4.076 7.994 -5.775 246 HA SER 31 HA SER 31 3.109 8.957 -8.294 247 HB2 SER 31 HB2 SER 31 5.595 8.765 -8.777 248 HB3 SER 31 HB3 SER 31 5.463 7.027 -8.451 249 HG SER 31 HG SER 31 5.241 7.615 -10.703 250 H CYS 32 H CYS 32 2.154 7.124 -9.540 251 HA CYS 32 HA CYS 32 1.292 4.822 -7.836 252 HB2 CYS 32 HB2 CYS 32 -0.033 6.150 -10.215 253 HB3 CYS 32 HB3 CYS 32 -0.604 4.677 -9.447 254 H GLY 33 H GLY 33 2.443 3.063 -8.243 255 HA2 GLY 33 HA2 GLY 33 3.888 2.553 -10.737 256 HA3 GLY 33 HA3 GLY 33 3.836 1.534 -9.300 257 H SER 34 H SER 34 1.987 2.507 -12.157 258 HA SER 34 HA SER 34 -0.004 0.424 -12.105 259 HB2 SER 34 HB2 SER 34 -0.166 2.510 -13.452 260 HB3 SER 34 HB3 SER 34 1.114 1.899 -14.520 261 HG SER 34 HG SER 34 -1.003 1.426 -15.313 262 H GLY 35 H GLY 35 0.257 -1.697 -12.372 263 HA2 GLY 35 HA2 GLY 35 1.011 -3.760 -13.102 264 HA3 GLY 35 HA3 GLY 35 1.845 -2.947 -14.427 265 H GLY 36 H GLY 36 3.361 -4.747 -13.972 266 HA2 GLY 36 HA2 GLY 36 5.832 -3.970 -13.147 267 HA3 GLY 36 HA3 GLY 36 5.155 -4.585 -11.636 268 H SER 37 H SER 37 4.966 -6.763 -11.322 269 HA SER 37 HA SER 37 5.637 -8.703 -13.484 270 HB2 SER 37 HB2 SER 37 7.002 -8.512 -10.766 271 HB3 SER 37 HB3 SER 37 7.177 -9.867 -11.897 272 HG SER 37 HG SER 37 8.878 -8.307 -12.064 273 H GLY 38 H GLY 38 5.067 -10.905 -12.938 274 HA2 GLY 38 HA2 GLY 38 2.450 -11.104 -11.707 275 HA3 GLY 38 HA3 GLY 38 3.346 -12.381 -12.519 276 H ILE 39 H ILE 39 4.181 -10.498 -9.618 277 HA ILE 39 HA ILE 39 4.926 -12.987 -8.174 278 HB ILE 39 HB ILE 39 5.414 -10.099 -7.364 279 HG12 ILE 39 HG12 ILE 39 6.498 -10.356 -9.469 280 HG13 ILE 39 HG13 ILE 39 7.706 -10.362 -8.205 281 HG21 ILE 39 HG21 ILE 39 7.354 -11.122 -6.083 282 HG22 ILE 39 HG22 ILE 39 5.765 -11.491 -5.452 283 HG23 ILE 39 HG23 ILE 39 6.649 -12.714 -6.413 284 HD11 ILE 39 HD11 ILE 39 8.259 -11.982 -9.947 285 HD12 ILE 39 HD12 ILE 39 7.931 -12.837 -8.430 286 HD13 ILE 39 HD13 ILE 39 6.714 -12.814 -9.730 287 H PHE 40 H PHE 40 4.359 -13.258 -5.985 288 HA PHE 40 HA PHE 40 1.720 -12.127 -5.113 289 HB2 PHE 40 HB2 PHE 40 0.758 -14.272 -4.855 290 HB3 PHE 40 HB3 PHE 40 1.402 -14.174 -6.482 291 HD1 PHE 40 HD2 PHE 40 3.476 -15.471 -7.105 292 HD2 PHE 40 HD1 PHE 40 1.589 -15.893 -3.246 293 HE1 PHE 40 HE2 PHE 40 4.739 -17.572 -6.711 294 HE2 PHE 40 HE1 PHE 40 2.849 -17.994 -2.861 295 HZ PHE 40 HZ PHE 40 4.429 -18.836 -4.589 296 H LEU 41 H LEU 41 4.724 -12.245 -4.118 297 HA LEU 41 HA LEU 41 4.475 -13.462 -1.451 298 HB2 LEU 41 HB2 LEU 41 6.691 -12.049 -2.987 299 HB3 LEU 41 HB3 LEU 41 6.834 -12.337 -1.271 300 HG LEU 41 HG LEU 41 8.028 -14.009 -2.502 301 HD11 LEU 41 HD11 LEU 41 7.235 -15.991 -1.402 302 HD12 LEU 41 HD12 LEU 41 5.606 -15.319 -1.219 303 HD13 LEU 41 HD13 LEU 41 6.970 -14.608 -0.325 304 HD21 LEU 41 HD21 LEU 41 7.008 -15.717 -3.870 305 HD22 LEU 41 HD22 LEU 41 6.658 -14.128 -4.560 306 HD23 LEU 41 HD23 LEU 41 5.398 -15.009 -3.658 307 H GLU 42 H GLU 42 3.649 -10.492 -2.806 308 HA GLU 42 HA GLU 42 3.940 -8.749 -0.514 309 HB2 GLU 42 HB2 GLU 42 3.132 -8.473 -3.184 310 HB3 GLU 42 HB3 GLU 42 1.627 -8.246 -2.302 311 HG2 GLU 42 HG2 GLU 42 2.792 -6.517 -0.899 312 HG3 GLU 42 HG3 GLU 42 4.258 -6.789 -1.860 313 H THR 43 H THR 43 2.101 -7.884 0.684 314 HA THR 43 HA THR 43 0.565 -9.939 2.013 315 HB THR 43 HB THR 43 0.134 -6.939 2.123 316 HG1 THR 43 HG1 THR 43 1.629 -6.933 3.715 317 HG21 THR 43 HG21 THR 43 -0.470 -9.153 4.146 318 HG22 THR 43 HG22 THR 43 -1.686 -8.250 3.216 319 HG23 THR 43 HG23 THR 43 -0.705 -7.413 4.415 320 H SER 44 H SER 44 -0.217 -7.693 -0.581 321 HA SER 44 HA SER 44 -2.082 -7.237 -1.806 322 HB2 SER 44 HB2 SER 44 -1.274 -9.561 -2.492 323 HB3 SER 44 HB3 SER 44 -2.689 -10.195 -1.638 324 HG SER 44 HG SER 44 -3.122 -9.793 -3.860 325 H LEU 45 H LEU 45 -2.733 -6.221 0.392 326 HA LEU 45 HA LEU 45 -4.673 -7.371 2.045 327 HB2 LEU 45 HB2 LEU 45 -3.996 -4.450 1.556 328 HB3 LEU 45 HB3 LEU 45 -5.209 -4.943 2.719 329 HG LEU 45 HG LEU 45 -3.136 -6.503 3.570 330 HD11 LEU 45 HD11 LEU 45 -1.571 -5.510 1.859 331 HD12 LEU 45 HD12 LEU 45 -1.073 -5.145 3.521 332 HD13 LEU 45 HD13 LEU 45 -1.877 -3.905 2.545 333 HD21 LEU 45 HD21 LEU 45 -2.718 -4.717 5.256 334 HD22 LEU 45 HD22 LEU 45 -4.445 -4.995 4.979 335 HD23 LEU 45 HD23 LEU 45 -3.651 -3.590 4.239 336 H SER 46 H SER 46 -5.284 -6.296 -1.090 337 HA SER 46 HA SER 46 -8.013 -5.419 -1.022 338 HB2 SER 46 HB2 SER 46 -7.946 -6.338 -3.408 339 HB3 SER 46 HB3 SER 46 -6.805 -5.033 -3.003 340 HG SER 46 HG SER 46 -5.827 -6.787 -4.167 341 H ALA 47 H ALA 47 -6.585 -8.594 -0.954 342 HA ALA 47 HA ALA 47 -9.304 -9.851 -0.664 343 HB1 ALA 47 HB1 ALA 47 -6.798 -11.039 -1.912 344 HB2 ALA 47 HB2 ALA 47 -8.360 -11.864 -1.703 345 HB3 ALA 47 HB3 ALA 47 -8.238 -10.460 -2.781 346 H GLY 48 H GLY 48 -9.740 -10.697 1.248 347 HA2 GLY 48 HA2 GLY 48 -9.498 -11.885 3.233 348 HA3 GLY 48 HA3 GLY 48 -7.823 -12.227 2.820 349 H SER 49 H SER 49 -8.660 -8.846 2.823 350 HA SER 49 HA SER 49 -8.063 -8.279 5.615 351 HB2 SER 49 HB2 SER 49 -6.110 -7.791 3.371 352 HB3 SER 49 HB3 SER 49 -6.173 -6.658 4.734 353 HG SER 49 HG SER 49 -5.938 -9.466 5.087 354 H ASP 50 H ASP 50 -7.680 -5.676 5.566 355 HA ASP 50 HA ASP 50 -9.792 -4.316 4.051 356 HB2 ASP 50 HB2 ASP 50 -9.892 -5.107 6.990 357 HB3 ASP 50 HB3 ASP 50 -10.755 -3.688 6.409 358 H TRP 51 H TRP 51 -9.915 -2.123 4.694 359 HA TRP 51 HA TRP 51 -7.582 -0.563 5.001 360 HB2 TRP 51 HB2 TRP 51 -9.282 0.650 4.151 361 HB3 TRP 51 HB3 TRP 51 -10.514 -0.145 5.104 362 HD1 TRP 51 HD1 TRP 51 -11.491 1.115 7.035 363 HE1 TRP 51 HE1 TRP 51 -10.974 3.313 8.292 364 HE3 TRP 51 HE3 TRP 51 -6.953 2.181 4.956 365 HZ2 TRP 51 HZ2 TRP 51 -8.880 5.293 8.328 366 HZ3 TRP 51 HZ3 TRP 51 -5.703 4.223 5.619 367 HH2 TRP 51 HH2 TRP 51 -6.661 5.798 7.270 368 H LEU 52 H LEU 52 -9.760 -1.836 7.491 369 HA LEU 52 HA LEU 52 -8.651 -0.455 9.727 370 HB2 LEU 52 HB2 LEU 52 -10.823 -2.091 9.225 371 HB3 LEU 52 HB3 LEU 52 -9.833 -3.125 10.240 372 HG LEU 52 HG LEU 52 -10.569 -0.227 10.934 373 HD11 LEU 52 HD11 LEU 52 -12.618 -1.515 10.654 374 HD12 LEU 52 HD12 LEU 52 -12.346 -1.115 12.353 375 HD13 LEU 52 HD13 LEU 52 -12.011 -2.766 11.771 376 HD21 LEU 52 HD21 LEU 52 -8.718 -1.027 12.288 377 HD22 LEU 52 HD22 LEU 52 -9.601 -2.539 12.668 378 HD23 LEU 52 HD23 LEU 52 -10.169 -0.971 13.284 379 H THR 53 H THR 53 -7.575 -3.392 8.111 380 HA THR 53 HA THR 53 -5.337 -3.754 10.043 381 HB THR 53 HB THR 53 -4.639 -5.550 8.358 382 HG1 THR 53 HG1 THR 53 -6.304 -4.655 6.780 383 HG21 THR 53 HG21 THR 53 -5.694 -6.050 10.530 384 HG22 THR 53 HG22 THR 53 -6.263 -7.159 9.267 385 HG23 THR 53 HG23 THR 53 -7.305 -5.824 9.807 386 H PHE 54 H PHE 54 -5.844 -2.371 6.831 387 HA PHE 54 HA PHE 54 -3.194 -2.189 5.882 388 HB2 PHE 54 HB2 PHE 54 -5.158 -1.702 4.505 389 HB3 PHE 54 HB3 PHE 54 -5.588 -0.366 5.560 390 HD1 PHE 54 HD1 PHE 54 -4.564 1.791 5.479 391 HD2 PHE 54 HD2 PHE 54 -3.282 -1.394 2.866 392 HE1 PHE 54 HE1 PHE 54 -3.337 3.435 4.085 393 HE2 PHE 54 HE2 PHE 54 -2.057 0.270 1.480 394 HZ PHE 54 HZ PHE 54 -2.058 2.671 2.108 395 H GLN 55 H GLN 55 -4.900 0.022 8.040 396 HA GLN 55 HA GLN 55 -2.878 2.006 8.385 397 HB2 GLN 55 HB2 GLN 55 -5.009 0.927 10.271 398 HB3 GLN 55 HB3 GLN 55 -4.003 2.334 10.650 399 HG2 GLN 55 HG2 GLN 55 -4.956 3.653 8.943 400 HG3 GLN 55 HG3 GLN 55 -5.571 2.251 8.060 401 HE21 GLN 55 HE21 GLN 55 -7.477 1.248 8.670 402 HE22 GLN 55 HE22 GLN 55 -8.566 1.977 9.838 403 H LYS 56 H LYS 56 -3.601 -0.683 10.612 404 HA LYS 56 HA LYS 56 -1.122 -0.380 12.087 405 HB2 LYS 56 HB2 LYS 56 -2.927 -2.827 11.945 406 HB3 LYS 56 HB3 LYS 56 -1.547 -2.661 13.014 407 HG2 LYS 56 HG2 LYS 56 -2.912 -1.791 14.540 408 HG3 LYS 56 HG3 LYS 56 -2.866 -0.315 13.592 409 HD2 LYS 56 HD2 LYS 56 -5.154 -0.782 14.062 410 HD3 LYS 56 HD3 LYS 56 -4.920 -1.146 12.347 411 HE2 LYS 56 HE2 LYS 56 -4.674 -3.575 12.929 412 HE3 LYS 56 HE3 LYS 56 -4.906 -3.182 14.638 413 HZ1 LYS 56 HZ1 LYS 56 -6.898 -2.665 12.500 414 HZ2 LYS 56 HZ2 LYS 56 -7.130 -2.395 14.103 415 HZ3 LYS 56 HZ3 LYS 56 -6.971 -3.927 13.555 416 H LYS 57 H LYS 57 -1.633 -2.089 9.114 417 HA LYS 57 HA LYS 57 0.656 -3.771 9.107 418 HB2 LYS 57 HB2 LYS 57 -1.287 -3.831 7.498 419 HB3 LYS 57 HB3 LYS 57 -0.671 -2.372 6.755 420 HG2 LYS 57 HG2 LYS 57 0.199 -3.852 5.305 421 HG3 LYS 57 HG3 LYS 57 1.550 -3.862 6.427 422 HD2 LYS 57 HD2 LYS 57 -0.766 -5.853 6.379 423 HD3 LYS 57 HD3 LYS 57 0.835 -6.111 5.663 424 HE2 LYS 57 HE2 LYS 57 1.863 -5.902 7.930 425 HE3 LYS 57 HE3 LYS 57 0.239 -5.753 8.627 426 HZ1 LYS 57 HZ1 LYS 57 1.227 -8.109 7.103 427 HZ2 LYS 57 HZ2 LYS 57 -0.273 -7.968 7.742 428 HZ3 LYS 57 HZ3 LYS 57 1.028 -8.048 8.722 429 H HIS 58 H HIS 58 0.476 -0.443 7.684 430 HA HIS 58 HA HIS 58 3.420 -0.167 8.105 431 HB2 HIS 58 HB2 HIS 58 3.920 0.149 5.826 432 HB3 HIS 58 HB3 HIS 58 2.981 -1.331 5.897 433 HD1 HIS 58 HD1 HIS 58 3.089 1.993 4.317 434 HD2 HIS 58 HD2 HIS 58 0.175 -0.911 5.266 435 HE1 HIS 58 HE1 HIS 58 0.918 2.618 2.996 436 HE2 HIS 58 HE2 HIS 58 -0.841 0.844 3.629 437 H ILE 59 H ILE 59 0.993 1.237 9.128 438 HA ILE 59 HA ILE 59 1.882 4.033 8.532 439 HB ILE 59 HB ILE 59 -1.051 3.297 8.846 440 HG12 ILE 59 HG12 ILE 59 0.662 3.703 6.385 441 HG13 ILE 59 HG13 ILE 59 -0.493 2.426 6.728 442 HG21 ILE 59 HG21 ILE 59 0.260 5.928 8.072 443 HG22 ILE 59 HG22 ILE 59 -1.484 5.626 8.240 444 HG23 ILE 59 HG23 ILE 59 -0.479 5.574 9.654 445 HD11 ILE 59 HD11 ILE 59 -2.357 4.063 6.430 446 HD12 ILE 59 HD12 ILE 59 -1.152 5.311 6.003 447 HD13 ILE 59 HD13 ILE 59 -1.321 3.883 4.988 448 H THR 60 H THR 60 1.847 5.430 10.237 449 HA THR 60 HA THR 60 0.712 4.555 12.833 450 HB THR 60 HB THR 60 2.899 3.547 12.954 451 HG1 THR 60 HG1 THR 60 3.585 4.632 14.841 452 HG21 THR 60 HG21 THR 60 4.194 5.010 11.424 453 HG22 THR 60 HG22 THR 60 4.962 4.833 13.003 454 HG23 THR 60 HG23 THR 60 4.091 6.333 12.607 455 H ASN 61 H ASN 61 0.501 6.136 14.422 456 HA ASN 61 HA ASN 61 0.438 8.953 13.543 457 HB2 ASN 61 HB2 ASN 61 -0.832 9.269 15.602 458 HB3 ASN 61 HB3 ASN 61 -1.560 8.022 14.608 459 HD21 ASN 61 HD21 ASN 61 -1.878 5.965 15.554 460 HD22 ASN 61 HD22 ASN 61 -1.272 5.590 17.162 461 H THR 62 H THR 62 2.755 6.940 14.772 462 HA THR 62 HA THR 62 4.502 9.131 15.523 463 HB THR 62 HB THR 62 3.436 8.944 17.637 464 HG1 THR 62 HG1 THR 62 5.821 7.522 18.016 465 HG21 THR 62 HG21 THR 62 2.566 6.594 17.519 466 HG22 THR 62 HG22 THR 62 3.340 7.029 19.052 467 HG23 THR 62 HG23 THR 62 4.200 6.013 17.886 468 H ARG 63 H ARG 63 6.139 8.574 14.154 469 HA ARG 63 HA ARG 63 6.927 5.818 13.624 470 HB2 ARG 63 HB2 ARG 63 7.331 7.672 11.965 471 HB3 ARG 63 HB3 ARG 63 8.499 8.366 13.103 472 HG2 ARG 63 HG2 ARG 63 9.495 5.833 12.959 473 HG3 ARG 63 HG3 ARG 63 8.623 5.843 11.436 474 HD2 ARG 63 HD2 ARG 63 10.810 7.708 12.403 475 HD3 ARG 63 HD3 ARG 63 10.911 6.494 11.096 476 HE ARG 63 HE ARG 63 8.911 8.218 10.261 477 HH11 ARG 63 HH11 ARG 63 12.184 8.902 11.255 478 HH12 ARG 63 HH12 ARG 63 12.367 10.203 10.110 479 HH21 ARG 63 HH21 ARG 63 9.235 9.794 8.737 480 HH22 ARG 63 HH22 ARG 63 10.731 10.675 8.710 481 H ASP 64 H ASP 64 7.580 4.667 15.269 482 HA ASP 64 HA ASP 64 9.793 5.645 17.031 483 HB2 ASP 64 HB2 ASP 64 7.548 5.052 18.042 484 HB3 ASP 64 HB3 ASP 64 7.822 3.388 17.530 485 H VAL 65 H VAL 65 9.645 4.038 14.266 486 HA VAL 65 HA VAL 65 11.085 1.569 14.977 487 HB VAL 65 HB VAL 65 10.189 2.674 12.284 488 HG11 VAL 65 HG11 VAL 65 12.037 1.271 11.782 489 HG12 VAL 65 HG12 VAL 65 11.620 0.117 13.080 490 HG13 VAL 65 HG13 VAL 65 10.639 0.205 11.622 491 HG21 VAL 65 HG21 VAL 65 8.524 0.854 12.419 492 HG22 VAL 65 HG22 VAL 65 9.129 0.395 14.024 493 HG23 VAL 65 HG23 VAL 65 8.327 1.962 13.773 494 H ASP 66 H ASP 66 13.154 1.143 14.719 495 HA ASP 66 HA ASP 66 15.024 3.157 13.523 496 HB2 ASP 66 HB2 ASP 66 14.955 3.032 16.066 497 HB3 ASP 66 HB3 ASP 66 15.580 1.389 15.922 498 H CYS 67 H CYS 67 13.701 0.428 12.743 499 HA CYS 67 HA CYS 67 14.138 -1.543 11.721 500 HB2 CYS 67 HB2 CYS 67 16.290 0.111 10.405 501 HB3 CYS 67 HB3 CYS 67 15.484 -1.316 9.736 502 H ASP 68 H ASP 68 15.036 -1.766 14.140 503 HA ASP 68 HA ASP 68 16.952 -3.908 14.057 504 HB2 ASP 68 HB2 ASP 68 17.865 -1.211 14.954 505 HB3 ASP 68 HB3 ASP 68 18.235 -2.512 16.068 506 H ASN 69 H ASN 69 14.623 -1.982 15.871 507 HA ASN 69 HA ASN 69 14.541 -4.049 17.999 508 HB2 ASN 69 HB2 ASN 69 13.390 -2.525 19.376 509 HB3 ASN 69 HB3 ASN 69 14.873 -1.780 18.789 510 HD21 ASN 69 HD21 ASN 69 14.724 0.007 17.461 511 HD22 ASN 69 HD22 ASN 69 13.184 0.848 17.216 512 H ILE 70 H ILE 70 13.056 -3.442 15.101 513 HA ILE 70 HA ILE 70 10.302 -3.757 15.591 514 HB ILE 70 HB ILE 70 10.098 -4.380 13.245 515 HG12 ILE 70 HG12 ILE 70 13.123 -4.706 13.350 516 HG13 ILE 70 HG13 ILE 70 11.898 -5.836 12.761 517 HG21 ILE 70 HG21 ILE 70 10.828 -2.254 12.413 518 HG22 ILE 70 HG22 ILE 70 10.371 -2.040 14.100 519 HG23 ILE 70 HG23 ILE 70 12.093 -2.128 13.660 520 HD11 ILE 70 HD11 ILE 70 13.054 -4.904 10.878 521 HD12 ILE 70 HD12 ILE 70 11.409 -4.223 10.890 522 HD13 ILE 70 HD13 ILE 70 12.790 -3.250 11.454 523 H MET 71 H MET 71 12.682 -6.051 15.980 524 HA MET 71 HA MET 71 11.311 -8.563 15.821 525 HB2 MET 71 HB2 MET 71 12.828 -9.291 17.632 526 HB3 MET 71 HB3 MET 71 13.659 -8.526 16.286 527 HG2 MET 71 HG2 MET 71 14.341 -6.719 17.508 528 HG3 MET 71 HG3 MET 71 12.916 -6.693 18.533 529 HE1 MET 71 HE1 MET 71 12.520 -9.228 20.010 530 HE2 MET 71 HE2 MET 71 13.584 -9.045 21.424 531 HE3 MET 71 HE3 MET 71 12.665 -7.650 20.820 532 H SER 72 H SER 72 10.820 -5.928 18.092 533 HA SER 72 HA SER 72 9.095 -7.550 19.883 534 HB2 SER 72 HB2 SER 72 10.848 -5.889 20.675 535 HB3 SER 72 HB3 SER 72 9.822 -4.602 20.027 536 HG SER 72 HG SER 72 9.175 -6.493 22.079 537 H THR 73 H THR 73 8.693 -5.628 17.100 538 HA THR 73 HA THR 73 5.963 -4.626 17.759 539 HB THR 73 HB THR 73 6.062 -3.332 15.761 540 HG1 THR 73 HG1 THR 73 8.328 -4.909 15.154 541 HG21 THR 73 HG21 THR 73 8.799 -3.147 17.088 542 HG22 THR 73 HG22 THR 73 7.311 -2.329 17.604 543 HG23 THR 73 HG23 THR 73 8.043 -1.933 16.037 544 H ASN 74 H ASN 74 4.540 -4.695 15.543 545 HA ASN 74 HA ASN 74 3.842 -7.425 14.932 546 HB2 ASN 74 HB2 ASN 74 3.201 -4.889 13.354 547 HB3 ASN 74 HB3 ASN 74 2.358 -6.429 13.260 548 HD21 ASN 74 HD21 ASN 74 2.340 -3.366 14.762 549 HD22 ASN 74 HD22 ASN 74 1.181 -3.788 16.014 550 H LEU 75 H LEU 75 6.328 -5.369 13.653 551 HA LEU 75 HA LEU 75 6.454 -6.653 11.021 552 HB2 LEU 75 HB2 LEU 75 8.053 -4.359 12.221 553 HB3 LEU 75 HB3 LEU 75 8.022 -4.855 10.550 554 HG LEU 75 HG LEU 75 6.742 -3.014 10.473 555 HD11 LEU 75 HD11 LEU 75 4.461 -3.594 10.016 556 HD12 LEU 75 HD12 LEU 75 4.575 -5.078 10.966 557 HD13 LEU 75 HD13 LEU 75 5.507 -4.912 9.461 558 HD21 LEU 75 HD21 LEU 75 6.579 -2.553 12.875 559 HD22 LEU 75 HD22 LEU 75 5.225 -3.693 13.005 560 HD23 LEU 75 HD23 LEU 75 5.065 -2.242 12.010 561 H PHE 76 H PHE 76 7.311 -8.115 13.501 562 HA PHE 76 HA PHE 76 10.144 -8.313 13.736 563 HB2 PHE 76 HB2 PHE 76 9.699 -10.120 15.207 564 HB3 PHE 76 HB3 PHE 76 8.484 -8.886 15.495 565 HD1 PHE 76 HD1 PHE 76 6.093 -9.306 14.815 566 HD2 PHE 76 HD2 PHE 76 9.137 -12.316 14.349 567 HE1 PHE 76 HE1 PHE 76 4.336 -11.036 14.587 568 HE2 PHE 76 HE2 PHE 76 7.375 -14.054 14.111 569 HZ PHE 76 HZ PHE 76 4.973 -13.420 14.246 570 H HIS 77 H HIS 77 8.161 -9.480 11.360 571 HA HIS 77 HA HIS 77 9.068 -12.059 10.722 572 HB2 HIS 77 HB2 HIS 77 7.864 -9.868 8.983 573 HB3 HIS 77 HB3 HIS 77 7.966 -11.569 8.510 574 HD1 HIS 77 HD1 HIS 77 6.600 -13.304 10.324 575 HD2 HIS 77 HD2 HIS 77 5.698 -9.169 10.284 576 HE1 HIS 77 HE1 HIS 77 4.342 -13.030 11.527 577 HE2 HIS 77 HE2 HIS 77 3.811 -10.503 11.510 578 H CYS 78 H CYS 78 11.072 -9.455 10.607 579 HA CYS 78 HA CYS 78 12.980 -8.811 9.514 580 HB2 CYS 78 HB2 CYS 78 13.144 -11.522 10.226 581 HB3 CYS 78 HB3 CYS 78 13.908 -11.437 8.661 582 H LYS 79 H LYS 79 10.604 -8.934 7.826 583 HA LYS 79 HA LYS 79 11.084 -9.824 5.197 584 HB2 LYS 79 HB2 LYS 79 9.213 -8.250 4.566 585 HB3 LYS 79 HB3 LYS 79 8.886 -9.446 5.801 586 HG2 LYS 79 HG2 LYS 79 7.815 -7.427 6.416 587 HG3 LYS 79 HG3 LYS 79 9.091 -7.751 7.574 588 HD2 LYS 79 HD2 LYS 79 9.876 -5.999 5.295 589 HD3 LYS 79 HD3 LYS 79 8.583 -5.341 6.270 590 HE2 LYS 79 HE2 LYS 79 11.223 -6.313 7.458 591 HE3 LYS 79 HE3 LYS 79 10.975 -4.664 6.887 592 HZ1 LYS 79 HZ1 LYS 79 9.453 -5.976 9.078 593 HZ2 LYS 79 HZ2 LYS 79 9.122 -4.470 8.492 594 HZ3 LYS 79 HZ3 LYS 79 10.550 -4.782 9.232 595 H ASP 80 H ASP 80 11.234 -8.577 3.232 596 HA ASP 80 HA ASP 80 13.831 -7.548 3.056 597 HB2 ASP 80 HB2 ASP 80 11.552 -7.393 1.045 598 HB3 ASP 80 HB3 ASP 80 13.246 -7.083 0.675 599 H LYS 81 H LYS 81 10.808 -5.714 3.133 600 HA LYS 81 HA LYS 81 12.137 -3.331 4.028 601 HB2 LYS 81 HB2 LYS 81 11.333 -1.846 2.099 602 HB3 LYS 81 HB3 LYS 81 12.703 -2.890 1.734 603 HG2 LYS 81 HG2 LYS 81 11.337 -4.472 0.591 604 HG3 LYS 81 HG3 LYS 81 9.846 -3.618 1.063 605 HD2 LYS 81 HD2 LYS 81 11.998 -2.536 -0.809 606 HD3 LYS 81 HD3 LYS 81 10.480 -3.297 -1.305 607 HE2 LYS 81 HE2 LYS 81 9.254 -1.507 0.063 608 HE3 LYS 81 HE3 LYS 81 10.815 -0.676 0.214 609 HZ1 LYS 81 HZ1 LYS 81 9.434 -1.319 -2.343 610 HZ2 LYS 81 HZ2 LYS 81 10.900 -0.591 -2.236 611 HZ3 LYS 81 HZ3 LYS 81 9.559 0.168 -1.674 612 H ASN 82 H ASN 82 10.689 -1.599 4.571 613 HA ASN 82 HA ASN 82 7.776 -2.059 4.300 614 HB2 ASN 82 HB2 ASN 82 8.467 -3.019 6.522 615 HB3 ASN 82 HB3 ASN 82 9.014 -1.413 7.011 616 HD21 ASN 82 HD21 ASN 82 6.704 -3.302 7.964 617 HD22 ASN 82 HD22 ASN 82 5.365 -2.169 7.979 618 H THR 83 H THR 83 6.829 -0.249 3.620 619 HA THR 83 HA THR 83 8.179 2.387 3.841 620 HB THR 83 HB THR 83 5.647 1.596 2.338 621 HG1 THR 83 HG1 THR 83 8.314 2.025 1.467 622 HG21 THR 83 HG21 THR 83 5.801 4.015 2.929 623 HG22 THR 83 HG22 THR 83 5.985 3.741 1.196 624 HG23 THR 83 HG23 THR 83 7.416 4.071 2.203 625 H PHE 84 H PHE 84 7.873 3.012 5.965 626 HA PHE 84 HA PHE 84 5.215 2.896 7.212 627 HB2 PHE 84 HB2 PHE 84 7.754 4.129 8.242 628 HB3 PHE 84 HB3 PHE 84 6.239 4.047 9.117 629 HD1 PHE 84 HD1 PHE 84 5.218 1.564 9.306 630 HD2 PHE 84 HD2 PHE 84 9.381 2.590 8.790 631 HE1 PHE 84 HE1 PHE 84 5.876 -0.659 10.209 632 HE2 PHE 84 HE2 PHE 84 10.026 0.305 9.533 633 HZ PHE 84 HZ PHE 84 8.272 -1.301 10.332 634 H ILE 85 H ILE 85 3.731 4.404 7.017 635 HA ILE 85 HA ILE 85 4.388 7.171 6.061 636 HB ILE 85 HB ILE 85 1.795 5.610 6.256 637 HG12 ILE 85 HG12 ILE 85 3.204 6.649 3.753 638 HG13 ILE 85 HG13 ILE 85 3.421 5.013 4.377 639 HG21 ILE 85 HG21 ILE 85 2.167 8.436 5.174 640 HG22 ILE 85 HG22 ILE 85 0.659 7.488 5.173 641 HG23 ILE 85 HG23 ILE 85 1.345 8.010 6.695 642 HD11 ILE 85 HD11 ILE 85 0.961 4.639 4.226 643 HD12 ILE 85 HD12 ILE 85 0.810 6.189 3.376 644 HD13 ILE 85 HD13 ILE 85 1.771 4.885 2.659 645 H TYR 86 H TYR 86 4.821 8.566 7.748 646 HA TYR 86 HA TYR 86 3.319 8.286 10.281 647 HB2 TYR 86 HB2 TYR 86 5.648 8.777 10.471 648 HB3 TYR 86 HB3 TYR 86 5.486 10.155 9.402 649 HD1 TYR 86 HD1 TYR 86 2.846 9.681 11.988 650 HD2 TYR 86 HD2 TYR 86 6.662 11.505 11.090 651 HE1 TYR 86 HE1 TYR 86 2.538 11.260 13.848 652 HE2 TYR 86 HE2 TYR 86 6.354 13.059 13.010 653 HH TYR 86 HH TYR 86 3.419 12.978 15.064 654 H SER 87 H SER 87 1.205 8.561 9.523 655 HA SER 87 HA SER 87 0.424 11.358 9.581 656 HB2 SER 87 HB2 SER 87 0.719 10.790 7.077 657 HB3 SER 87 HB3 SER 87 -0.708 9.754 7.265 658 HG SER 87 HG SER 87 -0.479 12.570 7.715 659 H ARG 88 H ARG 88 -2.020 11.505 9.432 660 HA ARG 88 HA ARG 88 -3.309 9.745 11.457 661 HB2 ARG 88 HB2 ARG 88 -4.234 12.283 10.006 662 HB3 ARG 88 HB3 ARG 88 -5.149 11.458 11.263 663 HG2 ARG 88 HG2 ARG 88 -3.158 11.819 12.830 664 HG3 ARG 88 HG3 ARG 88 -2.441 12.820 11.561 665 HD2 ARG 88 HD2 ARG 88 -3.504 14.320 13.040 666 HD3 ARG 88 HD3 ARG 88 -4.530 14.244 11.599 667 HE ARG 88 HE ARG 88 -5.341 12.342 13.660 668 HH11 ARG 88 HH11 ARG 88 -5.659 15.724 12.849 669 HH12 ARG 88 HH12 ARG 88 -7.117 15.909 13.787 670 HH21 ARG 88 HH21 ARG 88 -7.194 12.626 14.831 671 HH22 ARG 88 HH22 ARG 88 -7.952 14.188 14.883 672 HA PRO 89 HA PRO 89 -5.608 7.457 8.423 673 HB2 PRO 89 HB2 PRO 89 -8.093 7.076 9.550 674 HB3 PRO 89 HB3 PRO 89 -6.600 6.261 10.108 675 HG2 PRO 89 HG2 PRO 89 -7.896 8.765 11.230 676 HG3 PRO 89 HG3 PRO 89 -7.330 7.316 12.124 677 HD2 PRO 89 HD2 PRO 89 -5.793 9.527 11.944 678 HD3 PRO 89 HD3 PRO 89 -5.057 7.905 11.819 679 H GLU 90 H GLU 90 -6.900 10.579 9.347 680 HA GLU 90 HA GLU 90 -9.172 10.702 7.609 681 HB2 GLU 90 HB2 GLU 90 -7.489 12.765 9.035 682 HB3 GLU 90 HB3 GLU 90 -8.723 13.274 7.882 683 HG2 GLU 90 HG2 GLU 90 -9.310 11.418 10.226 684 HG3 GLU 90 HG3 GLU 90 -9.383 13.173 10.343 685 HA PRO 91 HA PRO 91 -6.601 12.850 4.224 686 HB2 PRO 91 HB2 PRO 91 -3.854 12.893 4.303 687 HB3 PRO 91 HB3 PRO 91 -4.867 14.144 5.079 688 HG2 PRO 91 HG2 PRO 91 -3.594 11.697 6.336 689 HG3 PRO 91 HG3 PRO 91 -3.565 13.387 6.937 690 HD2 PRO 91 HD2 PRO 91 -5.313 11.563 7.885 691 HD3 PRO 91 HD3 PRO 91 -5.810 13.252 7.668 692 H VAL 92 H VAL 92 -6.125 9.823 5.441 693 HA VAL 92 HA VAL 92 -4.998 8.637 2.923 694 HB VAL 92 HB VAL 92 -5.553 7.262 5.578 695 HG11 VAL 92 HG11 VAL 92 -3.951 5.582 4.690 696 HG12 VAL 92 HG12 VAL 92 -5.398 5.721 3.683 697 HG13 VAL 92 HG13 VAL 92 -3.877 6.471 3.156 698 HG21 VAL 92 HG21 VAL 92 -3.772 9.038 5.882 699 HG22 VAL 92 HG22 VAL 92 -3.208 7.390 6.128 700 HG23 VAL 92 HG23 VAL 92 -2.837 8.227 4.615 701 H LYS 93 H LYS 93 -7.710 8.123 5.221 702 HA LYS 93 HA LYS 93 -9.143 6.431 3.394 703 HB2 LYS 93 HB2 LYS 93 -9.396 6.909 6.058 704 HB3 LYS 93 HB3 LYS 93 -10.716 7.918 5.459 705 HG2 LYS 93 HG2 LYS 93 -11.174 5.672 3.988 706 HG3 LYS 93 HG3 LYS 93 -10.365 4.923 5.367 707 HD2 LYS 93 HD2 LYS 93 -12.889 6.655 5.487 708 HD3 LYS 93 HD3 LYS 93 -12.824 4.896 5.448 709 HE2 LYS 93 HE2 LYS 93 -13.141 5.261 7.666 710 HE3 LYS 93 HE3 LYS 93 -11.405 4.987 7.547 711 HZ1 LYS 93 HZ1 LYS 93 -11.079 7.403 7.709 712 HZ2 LYS 93 HZ2 LYS 93 -11.945 6.873 8.985 713 HZ3 LYS 93 HZ3 LYS 93 -12.698 7.655 7.770 714 H ALA 94 H ALA 94 -9.445 9.902 4.058 715 HA ALA 94 HA ALA 94 -11.862 10.235 2.511 716 HB1 ALA 94 HB1 ALA 94 -11.226 11.606 4.490 717 HB2 ALA 94 HB2 ALA 94 -9.908 12.327 3.526 718 HB3 ALA 94 HB3 ALA 94 -11.599 12.579 3.052 719 H ILE 95 H ILE 95 -8.681 9.879 1.408 720 HA ILE 95 HA ILE 95 -8.544 11.562 -0.845 721 HB ILE 95 HB ILE 95 -7.683 8.645 -0.722 722 HG12 ILE 95 HG12 ILE 95 -6.005 11.124 -0.098 723 HG13 ILE 95 HG13 ILE 95 -6.736 10.102 1.129 724 HG21 ILE 95 HG21 ILE 95 -6.575 10.923 -2.443 725 HG22 ILE 95 HG22 ILE 95 -6.093 9.213 -2.483 726 HG23 ILE 95 HG23 ILE 95 -7.682 9.680 -3.041 727 HD11 ILE 95 HD11 ILE 95 -4.442 9.466 0.897 728 HD12 ILE 95 HD12 ILE 95 -5.446 8.139 0.298 729 HD13 ILE 95 HD13 ILE 95 -4.598 9.214 -0.842 730 H CYS 96 H CYS 96 -10.490 8.639 -0.329 731 HA CYS 96 HA CYS 96 -11.814 9.037 -2.979 732 HB2 CYS 96 HB2 CYS 96 -12.436 6.720 -2.887 733 HB3 CYS 96 HB3 CYS 96 -10.686 6.905 -2.786 734 H LYS 97 H LYS 97 -14.058 8.661 -3.098 735 HA LYS 97 HA LYS 97 -15.748 8.675 -0.709 736 HB2 LYS 97 HB2 LYS 97 -14.965 11.102 -1.071 737 HB3 LYS 97 HB3 LYS 97 -15.867 11.087 -2.575 738 HG2 LYS 97 HG2 LYS 97 -17.250 12.120 -0.953 739 HG3 LYS 97 HG3 LYS 97 -17.956 10.520 -1.204 740 HD2 LYS 97 HD2 LYS 97 -16.920 9.713 0.894 741 HD3 LYS 97 HD3 LYS 97 -16.060 11.256 1.083 742 HE2 LYS 97 HE2 LYS 97 -18.245 12.440 1.226 743 HE3 LYS 97 HE3 LYS 97 -19.090 10.895 1.071 744 HZ1 LYS 97 HZ1 LYS 97 -18.033 10.185 3.154 745 HZ2 LYS 97 HZ2 LYS 97 -18.869 11.564 3.399 746 HZ3 LYS 97 HZ3 LYS 97 -17.243 11.612 3.291 747 H GLY 98 H GLY 98 -16.991 7.021 -1.328 748 HA2 GLY 98 HA2 GLY 98 -18.845 6.044 -2.402 749 HA3 GLY 98 HA3 GLY 98 -18.780 7.269 -3.657 750 H ILE 99 H ILE 99 -15.692 5.953 -3.333 751 HA ILE 99 HA ILE 99 -15.874 4.597 -5.891 752 HB ILE 99 HB ILE 99 -13.529 4.870 -3.975 753 HG12 ILE 99 HG12 ILE 99 -14.372 6.387 -6.492 754 HG13 ILE 99 HG13 ILE 99 -14.310 7.016 -4.850 755 HG21 ILE 99 HG21 ILE 99 -13.676 3.810 -6.847 756 HG22 ILE 99 HG22 ILE 99 -12.179 4.171 -5.976 757 HG23 ILE 99 HG23 ILE 99 -13.203 2.884 -5.392 758 HD11 ILE 99 HD11 ILE 99 -11.988 6.374 -6.673 759 HD12 ILE 99 HD12 ILE 99 -12.409 7.902 -5.880 760 HD13 ILE 99 HD13 ILE 99 -11.766 6.558 -4.923 761 H ILE 100 H ILE 100 -16.710 2.716 -6.121 762 HA ILE 100 HA ILE 100 -16.105 0.446 -4.257 763 HB ILE 100 HB ILE 100 -18.246 0.424 -6.401 764 HG12 ILE 100 HG12 ILE 100 -18.494 1.423 -3.533 765 HG13 ILE 100 HG13 ILE 100 -18.805 2.344 -5.008 766 HG21 ILE 100 HG21 ILE 100 -17.507 -1.755 -5.292 767 HG22 ILE 100 HG22 ILE 100 -18.058 -1.057 -3.751 768 HG23 ILE 100 HG23 ILE 100 -19.200 -1.370 -5.070 769 HD11 ILE 100 HD11 ILE 100 -20.518 0.110 -3.896 770 HD12 ILE 100 HD12 ILE 100 -20.905 1.827 -4.050 771 HD13 ILE 100 HD13 ILE 100 -20.735 0.834 -5.513 772 H ALA 101 H ALA 101 -15.260 1.781 -7.222 773 HA ALA 101 HA ALA 101 -14.976 -0.466 -8.936 774 HB1 ALA 101 HB1 ALA 101 -13.967 1.194 -10.438 775 HB2 ALA 101 HB2 ALA 101 -15.380 1.883 -9.628 776 HB3 ALA 101 HB3 ALA 101 -13.741 2.320 -9.085 777 H SER 102 H SER 102 -13.105 -0.221 -6.302 778 HA SER 102 HA SER 102 -10.956 -0.616 -5.653 779 HB2 SER 102 HB2 SER 102 -11.638 -2.819 -6.453 780 HB3 SER 102 HB3 SER 102 -10.907 -2.485 -8.030 781 HG SER 102 HG SER 102 -8.905 -2.383 -7.077 782 H LYS 103 H LYS 103 -10.622 1.702 -6.326 783 HA LYS 103 HA LYS 103 -8.088 1.999 -7.770 784 HB2 LYS 103 HB2 LYS 103 -9.786 2.080 -9.567 785 HB3 LYS 103 HB3 LYS 103 -10.570 3.454 -8.792 786 HG2 LYS 103 HG2 LYS 103 -8.682 4.879 -9.193 787 HG3 LYS 103 HG3 LYS 103 -7.636 3.521 -9.639 788 HD2 LYS 103 HD2 LYS 103 -10.104 4.340 -11.233 789 HD3 LYS 103 HD3 LYS 103 -8.479 4.975 -11.540 790 HE2 LYS 103 HE2 LYS 103 -7.628 2.675 -11.911 791 HE3 LYS 103 HE3 LYS 103 -9.247 2.022 -11.639 792 HZ1 LYS 103 HZ1 LYS 103 -10.011 3.284 -13.579 793 HZ2 LYS 103 HZ2 LYS 103 -8.783 2.300 -14.007 794 HZ3 LYS 103 HZ3 LYS 103 -8.516 3.898 -13.827 795 H ASN 104 H ASN 104 -7.029 4.069 -7.234 796 HA ASN 104 HA ASN 104 -8.665 6.066 -5.874 797 HB2 ASN 104 HB2 ASN 104 -7.149 4.419 -4.314 798 HB3 ASN 104 HB3 ASN 104 -5.949 5.646 -4.657 799 HD21 ASN 104 HD21 ASN 104 -6.830 5.203 -2.066 800 HD22 ASN 104 HD22 ASN 104 -7.738 6.602 -1.539 801 H VAL 105 H VAL 105 -6.786 7.949 -5.315 802 HA VAL 105 HA VAL 105 -5.151 8.411 -7.766 803 HB VAL 105 HB VAL 105 -6.683 10.572 -6.255 804 HG11 VAL 105 HG11 VAL 105 -4.640 11.404 -7.366 805 HG12 VAL 105 HG12 VAL 105 -5.143 10.640 -8.892 806 HG13 VAL 105 HG13 VAL 105 -6.075 11.986 -8.200 807 HG21 VAL 105 HG21 VAL 105 -8.334 9.238 -7.479 808 HG22 VAL 105 HG22 VAL 105 -8.092 10.777 -8.301 809 HG23 VAL 105 HG23 VAL 105 -7.337 9.304 -8.951 810 H LEU 106 H LEU 106 -3.101 9.108 -7.323 811 HA LEU 106 HA LEU 106 -1.819 8.967 -4.860 812 HB2 LEU 106 HB2 LEU 106 -0.734 9.145 -7.111 813 HB3 LEU 106 HB3 LEU 106 -1.274 10.806 -7.243 814 HG LEU 106 HG LEU 106 0.197 11.301 -5.193 815 HD11 LEU 106 HD11 LEU 106 0.369 8.878 -4.548 816 HD12 LEU 106 HD12 LEU 106 1.890 9.779 -4.555 817 HD13 LEU 106 HD13 LEU 106 1.489 8.670 -5.898 818 HD21 LEU 106 HD21 LEU 106 1.449 10.333 -7.778 819 HD22 LEU 106 HD22 LEU 106 2.272 11.336 -6.556 820 HD23 LEU 106 HD23 LEU 106 0.864 11.968 -7.422 821 H THR 107 H THR 107 -1.406 10.335 -3.148 822 HA THR 107 HA THR 107 -3.140 12.576 -2.609 823 HB THR 107 HB THR 107 -0.869 12.920 -0.975 824 HG1 THR 107 HG1 THR 107 -1.529 10.196 -0.959 825 HG21 THR 107 HG21 THR 107 -3.177 13.110 -0.181 826 HG22 THR 107 HG22 THR 107 -2.352 11.858 0.770 827 HG23 THR 107 HG23 THR 107 -3.469 11.393 -0.521 828 H THR 108 H THR 108 -2.210 14.713 -1.856 829 HA THR 108 HA THR 108 -0.394 15.868 -3.958 830 HB THR 108 HB THR 108 -2.745 16.485 -4.256 831 HG1 THR 108 HG1 THR 108 -1.224 17.905 -4.984 832 HG21 THR 108 HG21 THR 108 -3.510 16.600 -1.894 833 HG22 THR 108 HG22 THR 108 -3.839 18.088 -2.790 834 HG23 THR 108 HG23 THR 108 -2.489 18.038 -1.644 835 H SER 109 H SER 109 -1.133 15.839 -0.527 836 HA SER 109 HA SER 109 0.765 17.913 0.243 837 HB2 SER 109 HB2 SER 109 -0.610 15.764 1.902 838 HB3 SER 109 HB3 SER 109 0.199 17.206 2.531 839 HG SER 109 HG SER 109 -1.363 18.485 1.459 840 H GLU 110 H GLU 110 2.454 17.362 1.954 841 HA GLU 110 HA GLU 110 4.037 14.985 1.099 842 HB2 GLU 110 HB2 GLU 110 5.171 17.606 2.062 843 HB3 GLU 110 HB3 GLU 110 6.022 16.225 1.355 844 HG2 GLU 110 HG2 GLU 110 4.616 16.586 -0.744 845 HG3 GLU 110 HG3 GLU 110 4.113 18.128 -0.055 846 H PHE 111 H PHE 111 3.803 13.475 2.548 847 HA PHE 111 HA PHE 111 3.614 14.055 5.450 848 HB2 PHE 111 HB2 PHE 111 3.279 11.392 4.036 849 HB3 PHE 111 HB3 PHE 111 2.716 11.839 5.639 850 HD1 PHE 111 HD1 PHE 111 2.128 12.111 2.021 851 HD2 PHE 111 HD2 PHE 111 0.614 13.149 5.909 852 HE1 PHE 111 HE1 PHE 111 -0.014 12.765 1.000 853 HE2 PHE 111 HE2 PHE 111 -1.562 13.771 4.895 854 HZ PHE 111 HZ PHE 111 -1.879 13.578 2.414 855 H TYR 112 H TYR 112 4.791 12.526 6.954 856 HA TYR 112 HA TYR 112 7.636 12.468 6.239 857 HB2 TYR 112 HB2 TYR 112 5.998 12.275 8.707 858 HB3 TYR 112 HB3 TYR 112 7.433 11.260 8.685 859 HD1 TYR 112 HD2 TYR 112 6.936 14.714 7.235 860 HD2 TYR 112 HD1 TYR 112 8.912 12.244 10.171 861 HE1 TYR 112 HE2 TYR 112 8.402 16.630 7.872 862 HE2 TYR 112 HE1 TYR 112 10.364 14.159 10.808 863 HH TYR 112 HH TYR 112 10.906 16.346 10.419 864 H LEU 113 H LEU 113 8.169 10.991 4.806 865 HA LEU 113 HA LEU 113 7.131 8.226 4.980 866 HB2 LEU 113 HB2 LEU 113 8.180 9.950 2.838 867 HB3 LEU 113 HB3 LEU 113 8.896 8.348 2.824 868 HG LEU 113 HG LEU 113 6.947 8.475 1.405 869 HD11 LEU 113 HD11 LEU 113 5.838 6.479 2.038 870 HD12 LEU 113 HD12 LEU 113 6.327 6.645 3.732 871 HD13 LEU 113 HD13 LEU 113 7.551 6.348 2.476 872 HD21 LEU 113 HD21 LEU 113 4.692 8.749 2.189 873 HD22 LEU 113 HD22 LEU 113 5.637 10.151 2.724 874 HD23 LEU 113 HD23 LEU 113 5.223 8.871 3.879 875 H SER 114 H SER 114 8.173 6.585 5.757 876 HA SER 114 HA SER 114 11.104 6.723 6.372 877 HB2 SER 114 HB2 SER 114 9.747 7.253 8.341 878 HB3 SER 114 HB3 SER 114 8.825 5.797 8.132 879 HG SER 114 HG SER 114 10.339 5.215 9.577 880 H ASP 115 H ASP 115 11.685 5.459 4.602 881 HA ASP 115 HA ASP 115 10.616 2.689 4.424 882 HB2 ASP 115 HB2 ASP 115 12.494 4.306 2.675 883 HB3 ASP 115 HB3 ASP 115 12.240 2.580 2.477 884 H CYS 116 H CYS 116 12.084 0.900 4.437 885 HA CYS 116 HA CYS 116 14.887 1.284 5.145 886 HB2 CYS 116 HB2 CYS 116 12.869 0.038 6.990 887 HB3 CYS 116 HB3 CYS 116 14.385 -0.818 6.782 888 H ASN 117 H ASN 117 16.104 -0.359 4.218 889 HA ASN 117 HA ASN 117 14.673 -2.554 2.755 890 HB2 ASN 117 HB2 ASN 117 16.760 -0.622 1.634 891 HB3 ASN 117 HB3 ASN 117 16.237 -2.102 0.840 892 HD21 ASN 117 HD21 ASN 117 15.238 1.206 1.701 893 HD22 ASN 117 HD22 ASN 117 13.835 1.154 0.634 894 H VAL 118 H VAL 118 15.574 -4.495 3.045 895 HA VAL 118 HA VAL 118 17.605 -4.936 4.989 896 HB VAL 118 HB VAL 118 16.360 -6.678 2.878 897 HG11 VAL 118 HG11 VAL 118 18.588 -7.708 3.167 898 HG12 VAL 118 HG12 VAL 118 18.407 -7.613 4.941 899 HG13 VAL 118 HG13 VAL 118 17.370 -8.684 3.976 900 HG21 VAL 118 HG21 VAL 118 15.400 -7.833 4.847 901 HG22 VAL 118 HG22 VAL 118 16.264 -6.708 5.915 902 HG23 VAL 118 HG23 VAL 118 15.004 -6.118 4.807 903 H THR 119 H THR 119 19.718 -5.569 4.945 904 HA THR 119 HA THR 119 21.182 -5.566 2.349 905 HB THR 119 HB THR 119 21.415 -3.332 3.007 906 HG1 THR 119 HG1 THR 119 23.674 -3.262 3.052 907 HG21 THR 119 HG21 THR 119 22.554 -2.528 4.978 908 HG22 THR 119 HG22 THR 119 22.740 -4.175 5.607 909 HG23 THR 119 HG23 THR 119 21.123 -3.447 5.454 910 H SER 120 H SER 120 21.760 -7.545 2.214 911 HA SER 120 HA SER 120 22.448 -9.376 4.285 912 HB2 SER 120 HB2 SER 120 23.188 -9.448 1.331 913 HB3 SER 120 HB3 SER 120 23.224 -10.821 2.449 914 HG SER 120 HG SER 120 20.949 -10.547 2.755 Start of MODEL 6 1 H1 ARG 1 H1 ARG 1 17.912 -6.811 18.754 2 H2 ARG 1 H2 ARG 1 18.003 -5.174 18.715 3 H3 ARG 1 H3 ARG 1 16.691 -5.913 18.115 4 HA ARG 1 HA ARG 1 17.978 -5.197 16.281 5 HB2 ARG 1 HB2 ARG 1 20.312 -6.047 15.976 6 HB3 ARG 1 HB3 ARG 1 20.097 -4.811 17.201 7 HG2 ARG 1 HG2 ARG 1 20.573 -6.242 18.987 8 HG3 ARG 1 HG3 ARG 1 20.133 -7.698 18.101 9 HD2 ARG 1 HD2 ARG 1 22.504 -7.678 18.387 10 HD3 ARG 1 HD3 ARG 1 22.121 -7.478 16.671 11 HE ARG 1 HE ARG 1 22.485 -4.912 17.968 12 HH11 ARG 1 HH11 ARG 1 24.376 -7.583 16.758 13 HH12 ARG 1 HH12 ARG 1 25.794 -6.599 16.514 14 HH21 ARG 1 HH21 ARG 1 24.310 -3.702 17.642 15 HH22 ARG 1 HH22 ARG 1 25.746 -4.455 17.018 16 HA PRO 2 HA PRO 2 16.466 -9.416 15.284 17 HB2 PRO 2 HB2 PRO 2 14.618 -8.805 13.364 18 HB3 PRO 2 HB3 PRO 2 14.300 -8.693 15.110 19 HG2 PRO 2 HG2 PRO 2 15.042 -6.456 13.206 20 HG3 PRO 2 HG3 PRO 2 13.768 -6.477 14.461 21 HD2 PRO 2 HD2 PRO 2 16.214 -5.328 14.879 22 HD3 PRO 2 HD3 PRO 2 15.309 -6.143 16.181 23 H CYS 3 H CYS 3 17.021 -6.892 12.825 24 HA CYS 3 HA CYS 3 18.891 -8.570 11.295 25 HB2 CYS 3 HB2 CYS 3 16.928 -7.207 9.547 26 HB3 CYS 3 HB3 CYS 3 17.664 -8.790 9.411 27 H LYS 4 H LYS 4 19.668 -7.113 9.322 28 HA LYS 4 HA LYS 4 20.404 -4.423 10.435 29 HB2 LYS 4 HB2 LYS 4 21.798 -6.091 8.322 30 HB3 LYS 4 HB3 LYS 4 22.400 -4.599 9.029 31 HG2 LYS 4 HG2 LYS 4 22.051 -7.292 10.427 32 HG3 LYS 4 HG3 LYS 4 23.564 -6.567 9.922 33 HD2 LYS 4 HD2 LYS 4 21.722 -5.431 12.078 34 HD3 LYS 4 HD3 LYS 4 23.167 -6.406 12.356 35 HE2 LYS 4 HE2 LYS 4 24.554 -4.690 11.192 36 HE3 LYS 4 HE3 LYS 4 23.116 -3.683 10.979 37 HZ1 LYS 4 HZ1 LYS 4 24.373 -3.020 12.945 38 HZ2 LYS 4 HZ2 LYS 4 24.247 -4.508 13.600 39 HZ3 LYS 4 HZ3 LYS 4 22.912 -3.580 13.409 40 H TYR 5 H TYR 5 19.772 -2.645 9.422 41 HA TYR 5 HA TYR 5 18.819 -2.750 6.592 42 HB2 TYR 5 HB2 TYR 5 17.372 -1.330 8.855 43 HB3 TYR 5 HB3 TYR 5 16.873 -1.407 7.181 44 HD1 TYR 5 HD2 TYR 5 17.119 -3.284 10.357 45 HD2 TYR 5 HD1 TYR 5 15.732 -3.418 6.268 46 HE1 TYR 5 HE2 TYR 5 15.552 -5.140 10.937 47 HE2 TYR 5 HE1 TYR 5 14.134 -5.212 6.878 48 HH TYR 5 HH TYR 5 13.601 -6.753 8.438 49 H LYS 6 H LYS 6 18.703 -0.805 5.532 50 HA LYS 6 HA LYS 6 20.801 1.176 6.131 51 HB2 LYS 6 HB2 LYS 6 18.911 0.794 3.769 52 HB3 LYS 6 HB3 LYS 6 20.271 1.920 3.802 53 HG2 LYS 6 HG2 LYS 6 21.883 0.216 3.646 54 HG3 LYS 6 HG3 LYS 6 20.839 -0.996 4.366 55 HD2 LYS 6 HD2 LYS 6 21.049 -1.604 2.088 56 HD3 LYS 6 HD3 LYS 6 19.413 -1.054 2.376 57 HE2 LYS 6 HE2 LYS 6 20.044 -0.121 0.283 58 HE3 LYS 6 HE3 LYS 6 20.100 1.223 1.425 59 HZ1 LYS 6 HZ1 LYS 6 22.534 0.909 1.535 60 HZ2 LYS 6 HZ2 LYS 6 22.070 1.164 -0.007 61 HZ3 LYS 6 HZ3 LYS 6 22.454 -0.340 0.482 62 H LEU 7 H LEU 7 20.450 3.415 5.956 63 HA LEU 7 HA LEU 7 18.006 4.322 7.356 64 HB2 LEU 7 HB2 LEU 7 20.508 4.713 8.049 65 HB3 LEU 7 HB3 LEU 7 20.502 5.970 6.837 66 HG LEU 7 HG LEU 7 20.143 6.967 8.954 67 HD11 LEU 7 HD11 LEU 7 17.354 6.855 7.756 68 HD12 LEU 7 HD12 LEU 7 18.681 7.877 7.142 69 HD13 LEU 7 HD13 LEU 7 18.052 8.126 8.778 70 HD21 LEU 7 HD21 LEU 7 18.392 6.370 10.526 71 HD22 LEU 7 HD22 LEU 7 19.406 4.961 10.185 72 HD23 LEU 7 HD23 LEU 7 17.794 5.093 9.447 73 H LYS 8 H LYS 8 16.376 4.789 5.979 74 HA LYS 8 HA LYS 8 16.853 6.676 3.704 75 HB2 LYS 8 HB2 LYS 8 16.723 4.364 2.890 76 HB3 LYS 8 HB3 LYS 8 15.178 4.148 3.697 77 HG2 LYS 8 HG2 LYS 8 14.765 4.504 1.366 78 HG3 LYS 8 HG3 LYS 8 14.194 5.939 2.218 79 HD2 LYS 8 HD2 LYS 8 16.258 7.159 1.559 80 HD3 LYS 8 HD3 LYS 8 16.849 5.697 0.733 81 HE2 LYS 8 HE2 LYS 8 14.821 5.734 -0.724 82 HE3 LYS 8 HE3 LYS 8 14.267 7.200 0.094 83 HZ1 LYS 8 HZ1 LYS 8 15.421 7.721 -1.978 84 HZ2 LYS 8 HZ2 LYS 8 16.783 6.976 -1.475 85 HZ3 LYS 8 HZ3 LYS 8 16.264 8.334 -0.723 86 H LYS 9 H LYS 9 16.027 8.490 4.439 87 HA LYS 9 HA LYS 9 13.171 8.590 5.387 88 HB2 LYS 9 HB2 LYS 9 15.426 10.564 5.937 89 HB3 LYS 9 HB3 LYS 9 13.768 10.704 6.511 90 HG2 LYS 9 HG2 LYS 9 15.711 8.488 7.292 91 HG3 LYS 9 HG3 LYS 9 15.376 9.938 8.233 92 HD2 LYS 9 HD2 LYS 9 13.013 9.250 8.513 93 HD3 LYS 9 HD3 LYS 9 13.294 7.828 7.502 94 HE2 LYS 9 HE2 LYS 9 13.325 7.135 9.801 95 HE3 LYS 9 HE3 LYS 9 14.938 6.951 9.110 96 HZ1 LYS 9 HZ1 LYS 9 15.598 9.006 10.236 97 HZ2 LYS 9 HZ2 LYS 9 14.994 7.965 11.333 98 HZ3 LYS 9 HZ3 LYS 9 14.093 9.232 10.828 99 H SER 10 H SER 10 11.768 9.818 4.366 100 HA SER 10 HA SER 10 12.576 11.772 2.270 101 HB2 SER 10 HB2 SER 10 10.735 9.383 1.832 102 HB3 SER 10 HB3 SER 10 10.856 10.766 0.729 103 HG SER 10 HG SER 10 12.203 9.070 0.055 104 H THR 11 H THR 11 10.599 13.028 1.486 105 HA THR 11 HA THR 11 8.329 12.993 3.368 106 HB THR 11 HB THR 11 9.620 15.668 2.785 107 HG1 THR 11 HG1 THR 11 10.037 13.862 4.915 108 HG21 THR 11 HG21 THR 11 8.172 16.348 4.651 109 HG22 THR 11 HG22 THR 11 7.658 14.659 4.895 110 HG23 THR 11 HG23 THR 11 7.194 15.523 3.416 111 H ASN 12 H ASN 12 6.707 12.588 2.054 112 HA ASN 12 HA ASN 12 5.937 14.259 -0.177 113 HB2 ASN 12 HB2 ASN 12 6.354 12.458 -1.971 114 HB3 ASN 12 HB3 ASN 12 7.737 13.345 -1.376 115 HD21 ASN 12 HD21 ASN 12 6.062 10.378 0.035 116 HD22 ASN 12 HD22 ASN 12 7.576 9.499 -0.074 117 H LYS 13 H LYS 13 4.235 13.276 -1.499 118 HA LYS 13 HA LYS 13 2.038 11.957 -0.255 119 HB2 LYS 13 HB2 LYS 13 1.273 11.768 -2.700 120 HB3 LYS 13 HB3 LYS 13 1.562 13.336 -2.008 121 HG2 LYS 13 HG2 LYS 13 3.996 12.934 -3.213 122 HG3 LYS 13 HG3 LYS 13 2.986 11.925 -4.228 123 HD2 LYS 13 HD2 LYS 13 1.863 13.757 -5.119 124 HD3 LYS 13 HD3 LYS 13 1.951 14.675 -3.617 125 HE2 LYS 13 HE2 LYS 13 3.303 15.849 -5.142 126 HE3 LYS 13 HE3 LYS 13 4.397 15.063 -4.009 127 HZ1 LYS 13 HZ1 LYS 13 4.777 13.331 -5.735 128 HZ2 LYS 13 HZ2 LYS 13 5.166 14.814 -6.289 129 HZ3 LYS 13 HZ3 LYS 13 3.775 14.115 -6.763 130 H PHE 14 H PHE 14 0.999 10.062 -1.259 131 HA PHE 14 HA PHE 14 2.735 7.760 -1.922 132 HB2 PHE 14 HB2 PHE 14 1.609 6.371 -0.131 133 HB3 PHE 14 HB3 PHE 14 2.785 7.541 0.432 134 HD1 PHE 14 HD2 PHE 14 -0.934 7.016 0.051 135 HD2 PHE 14 HD1 PHE 14 2.229 9.137 2.080 136 HE1 PHE 14 HE2 PHE 14 -2.604 8.092 1.548 137 HE2 PHE 14 HE1 PHE 14 0.553 10.159 3.597 138 HZ PHE 14 HZ PHE 14 -1.864 9.759 3.247 139 H CYS 15 H CYS 15 1.648 6.033 -2.876 140 HA CYS 15 HA CYS 15 -1.161 6.638 -3.741 141 HB2 CYS 15 HB2 CYS 15 0.779 6.577 -5.506 142 HB3 CYS 15 HB3 CYS 15 0.605 4.841 -5.369 143 H VAL 16 H VAL 16 -2.599 5.070 -3.929 144 HA VAL 16 HA VAL 16 -2.262 2.394 -2.666 145 HB VAL 16 HB VAL 16 -4.079 2.832 -1.028 146 HG11 VAL 16 HG11 VAL 16 -1.826 2.783 -0.214 147 HG12 VAL 16 HG12 VAL 16 -1.638 4.531 -0.512 148 HG13 VAL 16 HG13 VAL 16 -2.814 3.936 0.678 149 HG21 VAL 16 HG21 VAL 16 -4.759 5.017 -0.384 150 HG22 VAL 16 HG22 VAL 16 -3.568 5.793 -1.453 151 HG23 VAL 16 HG23 VAL 16 -4.947 4.924 -2.148 152 H THR 17 H THR 17 -4.636 1.376 -2.432 153 HA THR 17 HA THR 17 -6.289 2.092 -4.846 154 HB THR 17 HB THR 17 -5.998 -0.716 -3.758 155 HG1 THR 17 HG1 THR 17 -4.555 0.469 -5.901 156 HG21 THR 17 HG21 THR 17 -6.816 0.297 -6.497 157 HG22 THR 17 HG22 THR 17 -7.926 -0.310 -5.236 158 HG23 THR 17 HG23 THR 17 -6.734 -1.393 -5.970 159 H CYS 18 H CYS 18 -8.329 2.763 -4.326 160 HA CYS 18 HA CYS 18 -9.483 2.169 -1.683 161 HB2 CYS 18 HB2 CYS 18 -9.558 4.445 -2.808 162 HB3 CYS 18 HB3 CYS 18 -10.697 3.741 -3.947 163 H GLU 19 H GLU 19 -10.971 0.693 -1.337 164 HA GLU 19 HA GLU 19 -12.675 -0.324 -3.537 165 HB2 GLU 19 HB2 GLU 19 -10.676 -1.886 -3.148 166 HB3 GLU 19 HB3 GLU 19 -11.383 -2.236 -1.565 167 HG2 GLU 19 HG2 GLU 19 -13.550 -2.822 -2.790 168 HG3 GLU 19 HG3 GLU 19 -12.659 -2.680 -4.300 169 H ASN 20 H ASN 20 -14.611 0.207 -2.909 170 HA ASN 20 HA ASN 20 -16.464 0.712 -1.688 171 HB2 ASN 20 HB2 ASN 20 -15.451 -1.497 0.134 172 HB3 ASN 20 HB3 ASN 20 -16.971 -0.653 0.371 173 HD21 ASN 20 HD21 ASN 20 -15.238 -2.458 -2.268 174 HD22 ASN 20 HD22 ASN 20 -16.738 -3.184 -2.836 175 H GLN 21 H GLN 21 -14.793 2.593 -1.618 176 HA GLN 21 HA GLN 21 -14.444 4.635 -0.710 177 HB2 GLN 21 HB2 GLN 21 -16.402 3.882 1.478 178 HB3 GLN 21 HB3 GLN 21 -15.942 5.489 0.926 179 HG2 GLN 21 HG2 GLN 21 -17.854 5.365 -0.276 180 HG3 GLN 21 HG3 GLN 21 -16.853 4.474 -1.421 181 HE21 GLN 21 HE21 GLN 21 -18.028 2.710 -2.166 182 HE22 GLN 21 HE22 GLN 21 -19.111 1.781 -1.124 183 H ALA 22 H ALA 22 -12.556 2.567 0.132 184 HA ALA 22 HA ALA 22 -11.254 3.896 2.300 185 HB1 ALA 22 HB1 ALA 22 -11.300 2.000 3.869 186 HB2 ALA 22 HB2 ALA 22 -12.938 2.580 3.569 187 HB3 ALA 22 HB3 ALA 22 -12.380 1.098 2.765 188 HA PRO 23 HA PRO 23 -8.138 1.868 -0.208 189 HB2 PRO 23 HB2 PRO 23 -5.880 2.866 0.881 190 HB3 PRO 23 HB3 PRO 23 -7.075 3.832 -0.064 191 HG2 PRO 23 HG2 PRO 23 -6.908 3.600 2.956 192 HG3 PRO 23 HG3 PRO 23 -6.945 5.088 1.956 193 HD2 PRO 23 HD2 PRO 23 -9.195 3.995 3.074 194 HD3 PRO 23 HD3 PRO 23 -9.224 4.812 1.479 195 H VAL 24 H VAL 24 -8.141 -0.248 -0.026 196 HA VAL 24 HA VAL 24 -7.014 -1.606 2.368 197 HB VAL 24 HB VAL 24 -8.253 -3.535 1.853 198 HG11 VAL 24 HG11 VAL 24 -10.264 -1.364 1.180 199 HG12 VAL 24 HG12 VAL 24 -10.469 -2.834 2.156 200 HG13 VAL 24 HG13 VAL 24 -9.519 -1.470 2.769 201 HG21 VAL 24 HG21 VAL 24 -9.766 -3.754 -0.078 202 HG22 VAL 24 HG22 VAL 24 -9.112 -2.245 -0.774 203 HG23 VAL 24 HG23 VAL 24 -8.083 -3.680 -0.582 204 H HIS 25 H HIS 25 -5.466 -0.386 -0.074 205 HA HIS 25 HA HIS 25 -3.608 -2.646 -0.201 206 HB2 HIS 25 HB2 HIS 25 -5.422 -2.667 -2.244 207 HB3 HIS 25 HB3 HIS 25 -4.258 -1.538 -2.910 208 HD1 HIS 25 HD1 HIS 25 -1.774 -2.548 -3.533 209 HD2 HIS 25 HD2 HIS 25 -4.743 -5.199 -2.105 210 HE1 HIS 25 HE1 HIS 25 -1.023 -4.910 -4.196 211 HE2 HIS 25 HE2 HIS 25 -2.806 -6.549 -3.305 212 H PHE 26 H PHE 26 -1.519 -1.980 -0.555 213 HA PHE 26 HA PHE 26 -0.994 0.923 -0.828 214 HB2 PHE 26 HB2 PHE 26 0.222 -0.488 0.860 215 HB3 PHE 26 HB3 PHE 26 0.875 -1.453 -0.453 216 HD1 PHE 26 HD2 PHE 26 0.565 2.317 -0.009 217 HD2 PHE 26 HD1 PHE 26 3.204 -1.092 -0.403 218 HE1 PHE 26 HE2 PHE 26 2.515 3.825 -0.099 219 HE2 PHE 26 HE1 PHE 26 5.144 0.439 -0.478 220 HZ PHE 26 HZ PHE 26 4.805 2.886 -0.325 221 H VAL 27 H VAL 27 0.214 1.797 -2.554 222 HA VAL 27 HA VAL 27 0.885 -0.064 -4.824 223 HB VAL 27 HB VAL 27 -0.054 2.796 -5.138 224 HG11 VAL 27 HG11 VAL 27 0.878 0.712 -7.150 225 HG12 VAL 27 HG12 VAL 27 0.024 2.195 -7.593 226 HG13 VAL 27 HG13 VAL 27 1.614 2.298 -6.829 227 HG21 VAL 27 HG21 VAL 27 -1.930 1.235 -4.688 228 HG22 VAL 27 HG22 VAL 27 -1.950 1.867 -6.335 229 HG23 VAL 27 HG23 VAL 27 -1.375 0.209 -6.028 230 H GLY 28 H GLY 28 1.834 3.162 -3.408 231 HA2 GLY 28 HA2 GLY 28 4.634 2.593 -3.560 232 HA3 GLY 28 HA3 GLY 28 4.125 3.402 -5.046 233 H VAL 29 H VAL 29 5.811 4.844 -4.180 234 HA VAL 29 HA VAL 29 4.844 6.832 -2.153 235 HB VAL 29 HB VAL 29 7.687 5.807 -2.544 236 HG11 VAL 29 HG11 VAL 29 6.444 7.712 -0.540 237 HG12 VAL 29 HG12 VAL 29 8.101 7.059 -0.423 238 HG13 VAL 29 HG13 VAL 29 7.675 8.114 -1.773 239 HG21 VAL 29 HG21 VAL 29 7.382 4.850 -0.245 240 HG22 VAL 29 HG22 VAL 29 5.652 5.251 -0.343 241 HG23 VAL 29 HG23 VAL 29 6.379 4.068 -1.462 242 H GLY 30 H GLY 30 4.754 8.877 -2.838 243 HA2 GLY 30 HA2 GLY 30 5.054 10.791 -4.045 244 HA3 GLY 30 HA3 GLY 30 6.655 10.196 -4.457 245 H SER 31 H SER 31 4.430 8.009 -5.614 246 HA SER 31 HA SER 31 3.685 9.003 -8.213 247 HB2 SER 31 HB2 SER 31 6.166 7.259 -7.896 248 HB3 SER 31 HB3 SER 31 5.203 7.262 -9.381 249 HG SER 31 HG SER 31 6.133 9.683 -8.253 250 H CYS 32 H CYS 32 2.767 7.124 -9.496 251 HA CYS 32 HA CYS 32 1.823 4.903 -7.730 252 HB2 CYS 32 HB2 CYS 32 0.235 6.926 -8.404 253 HB3 CYS 32 HB3 CYS 32 0.073 6.008 -9.897 254 H GLY 33 H GLY 33 2.615 3.020 -8.413 255 HA2 GLY 33 HA2 GLY 33 3.564 2.696 -11.218 256 HA3 GLY 33 HA3 GLY 33 4.023 1.724 -9.824 257 H SER 34 H SER 34 2.973 0.989 -12.536 258 HA SER 34 HA SER 34 1.193 -1.156 -11.626 259 HB2 SER 34 HB2 SER 34 -0.274 0.823 -12.255 260 HB3 SER 34 HB3 SER 34 0.323 0.651 -13.914 261 HG SER 34 HG SER 34 -1.674 -0.485 -13.490 262 H GLY 35 H GLY 35 0.732 -2.670 -13.477 263 HA2 GLY 35 HA2 GLY 35 1.904 -2.850 -15.946 264 HA3 GLY 35 HA3 GLY 35 3.198 -3.410 -14.878 265 H GLY 36 H GLY 36 2.354 -5.105 -16.730 266 HA2 GLY 36 HA2 GLY 36 0.346 -7.012 -15.618 267 HA3 GLY 36 HA3 GLY 36 0.993 -6.986 -17.254 268 H SER 37 H SER 37 1.764 -7.768 -13.888 269 HA SER 37 HA SER 37 3.489 -10.009 -14.777 270 HB2 SER 37 HB2 SER 37 4.951 -8.001 -14.331 271 HB3 SER 37 HB3 SER 37 4.431 -8.067 -12.636 272 HG SER 37 HG SER 37 6.428 -9.225 -13.161 273 H GLY 38 H GLY 38 4.140 -11.352 -12.850 274 HA2 GLY 38 HA2 GLY 38 1.647 -12.184 -11.466 275 HA3 GLY 38 HA3 GLY 38 3.086 -13.157 -11.742 276 H ILE 39 H ILE 39 3.771 -10.090 -10.425 277 HA ILE 39 HA ILE 39 5.119 -11.112 -8.162 278 HB ILE 39 HB ILE 39 4.111 -8.285 -8.575 279 HG12 ILE 39 HG12 ILE 39 6.852 -9.397 -9.347 280 HG13 ILE 39 HG13 ILE 39 5.531 -9.240 -10.497 281 HG21 ILE 39 HG21 ILE 39 4.875 -8.606 -6.274 282 HG22 ILE 39 HG22 ILE 39 6.390 -9.358 -6.848 283 HG23 ILE 39 HG23 ILE 39 6.053 -7.639 -7.126 284 HD11 ILE 39 HD11 ILE 39 5.427 -6.790 -10.077 285 HD12 ILE 39 HD12 ILE 39 6.883 -6.936 -9.062 286 HD13 ILE 39 HD13 ILE 39 6.956 -7.352 -10.779 287 H PHE 40 H PHE 40 4.622 -11.467 -6.152 288 HA PHE 40 HA PHE 40 2.113 -10.518 -4.870 289 HB2 PHE 40 HB2 PHE 40 1.922 -12.855 -6.073 290 HB3 PHE 40 HB3 PHE 40 2.798 -13.456 -4.679 291 HD1 PHE 40 HD1 PHE 40 -0.290 -11.757 -5.864 292 HD2 PHE 40 HD2 PHE 40 1.643 -13.649 -2.508 293 HE1 PHE 40 HE1 PHE 40 -2.459 -11.813 -4.651 294 HE2 PHE 40 HE2 PHE 40 -0.529 -13.699 -1.290 295 HZ PHE 40 HZ PHE 40 -2.580 -12.779 -2.361 296 H LEU 41 H LEU 41 5.126 -10.105 -4.514 297 HA LEU 41 HA LEU 41 5.951 -11.429 -2.101 298 HB2 LEU 41 HB2 LEU 41 6.913 -8.915 -3.536 299 HB3 LEU 41 HB3 LEU 41 7.747 -9.576 -2.139 300 HG LEU 41 HG LEU 41 7.283 -11.219 -4.665 301 HD11 LEU 41 HD11 LEU 41 9.605 -10.671 -5.273 302 HD12 LEU 41 HD12 LEU 41 9.706 -9.540 -3.903 303 HD13 LEU 41 HD13 LEU 41 8.588 -9.223 -5.248 304 HD21 LEU 41 HD21 LEU 41 7.841 -12.519 -2.625 305 HD22 LEU 41 HD22 LEU 41 9.265 -11.491 -2.358 306 HD23 LEU 41 HD23 LEU 41 9.174 -12.545 -3.785 307 H GLU 42 H GLU 42 4.050 -8.594 -2.563 308 HA GLU 42 HA GLU 42 4.314 -7.442 0.106 309 HB2 GLU 42 HB2 GLU 42 2.508 -5.963 -0.646 310 HB3 GLU 42 HB3 GLU 42 3.787 -6.095 -1.850 311 HG2 GLU 42 HG2 GLU 42 2.191 -7.983 -2.887 312 HG3 GLU 42 HG3 GLU 42 0.963 -7.154 -1.940 313 H THR 43 H THR 43 2.304 -7.085 1.467 314 HA THR 43 HA THR 43 1.152 -9.562 2.400 315 HB THR 43 HB THR 43 0.310 -6.682 2.873 316 HG1 THR 43 HG1 THR 43 2.411 -7.457 3.605 317 HG21 THR 43 HG21 THR 43 -1.582 -8.184 3.476 318 HG22 THR 43 HG22 THR 43 -0.827 -7.484 4.900 319 HG23 THR 43 HG23 THR 43 -0.475 -9.173 4.450 320 H SER 44 H SER 44 0.047 -7.199 0.085 321 HA SER 44 HA SER 44 -1.782 -6.864 -1.157 322 HB2 SER 44 HB2 SER 44 -0.613 -8.923 -2.154 323 HB3 SER 44 HB3 SER 44 -2.013 -9.838 -1.572 324 HG SER 44 HG SER 44 -2.398 -9.068 -3.670 325 H LEU 45 H LEU 45 -2.862 -6.112 0.726 326 HA LEU 45 HA LEU 45 -4.751 -7.613 2.237 327 HB2 LEU 45 HB2 LEU 45 -4.254 -4.636 1.842 328 HB3 LEU 45 HB3 LEU 45 -5.500 -5.235 2.908 329 HG LEU 45 HG LEU 45 -3.395 -6.675 3.873 330 HD11 LEU 45 HD11 LEU 45 -1.732 -5.653 2.332 331 HD12 LEU 45 HD12 LEU 45 -1.426 -5.160 4.003 332 HD13 LEU 45 HD13 LEU 45 -2.212 -4.033 2.879 333 HD21 LEU 45 HD21 LEU 45 -4.111 -3.798 4.515 334 HD22 LEU 45 HD22 LEU 45 -3.172 -4.872 5.589 335 HD23 LEU 45 HD23 LEU 45 -4.859 -5.242 5.208 336 H SER 46 H SER 46 -5.225 -7.026 -0.957 337 HA SER 46 HA SER 46 -7.850 -5.873 -1.159 338 HB2 SER 46 HB2 SER 46 -7.778 -7.138 -3.419 339 HB3 SER 46 HB3 SER 46 -6.619 -5.833 -3.142 340 HG SER 46 HG SER 46 -5.698 -7.819 -4.008 341 H ALA 47 H ALA 47 -6.748 -9.195 -0.794 342 HA ALA 47 HA ALA 47 -9.577 -10.108 -0.390 343 HB1 ALA 47 HB1 ALA 47 -8.984 -12.207 -1.510 344 HB2 ALA 47 HB2 ALA 47 -8.777 -10.814 -2.590 345 HB3 ALA 47 HB3 ALA 47 -7.353 -11.583 -1.850 346 H GLY 48 H GLY 48 -9.880 -10.646 1.628 347 HA2 GLY 48 HA2 GLY 48 -9.629 -12.060 3.514 348 HA3 GLY 48 HA3 GLY 48 -7.935 -12.322 3.129 349 H SER 49 H SER 49 -8.429 -8.999 2.906 350 HA SER 49 HA SER 49 -8.189 -8.417 5.802 351 HB2 SER 49 HB2 SER 49 -6.303 -7.179 3.798 352 HB3 SER 49 HB3 SER 49 -6.282 -7.018 5.548 353 HG SER 49 HG SER 49 -5.827 -9.330 5.612 354 H ASP 50 H ASP 50 -7.781 -5.704 5.687 355 HA ASP 50 HA ASP 50 -9.790 -4.437 4.025 356 HB2 ASP 50 HB2 ASP 50 -10.824 -5.720 6.171 357 HB3 ASP 50 HB3 ASP 50 -10.278 -4.274 7.003 358 H TRP 51 H TRP 51 -10.038 -2.171 4.795 359 HA TRP 51 HA TRP 51 -7.614 -0.657 4.998 360 HB2 TRP 51 HB2 TRP 51 -9.244 0.606 4.102 361 HB3 TRP 51 HB3 TRP 51 -10.530 -0.161 4.995 362 HD1 TRP 51 HD1 TRP 51 -11.495 1.071 7.021 363 HE1 TRP 51 HE1 TRP 51 -10.995 3.292 8.225 364 HE3 TRP 51 HE3 TRP 51 -7.004 2.183 4.848 365 HZ2 TRP 51 HZ2 TRP 51 -8.946 5.312 8.197 366 HZ3 TRP 51 HZ3 TRP 51 -5.784 4.259 5.467 367 HH2 TRP 51 HH2 TRP 51 -6.761 5.848 7.101 368 H LEU 52 H LEU 52 -9.863 -1.814 7.470 369 HA LEU 52 HA LEU 52 -8.885 -0.395 9.709 370 HB2 LEU 52 HB2 LEU 52 -10.908 -2.238 9.170 371 HB3 LEU 52 HB3 LEU 52 -9.843 -3.165 10.194 372 HG LEU 52 HG LEU 52 -11.593 -2.162 11.491 373 HD11 LEU 52 HD11 LEU 52 -10.394 -0.990 13.211 374 HD12 LEU 52 HD12 LEU 52 -9.102 -0.534 12.084 375 HD13 LEU 52 HD13 LEU 52 -9.333 -2.247 12.548 376 HD21 LEU 52 HD21 LEU 52 -10.683 0.585 10.542 377 HD22 LEU 52 HD22 LEU 52 -11.979 0.224 11.696 378 HD23 LEU 52 HD23 LEU 52 -12.144 -0.270 10.003 379 H THR 53 H THR 53 -7.646 -3.333 8.204 380 HA THR 53 HA THR 53 -5.438 -3.607 10.170 381 HB THR 53 HB THR 53 -4.800 -5.550 8.634 382 HG1 THR 53 HG1 THR 53 -6.371 -4.687 6.950 383 HG21 THR 53 HG21 THR 53 -7.522 -5.626 10.002 384 HG22 THR 53 HG22 THR 53 -5.950 -5.853 10.803 385 HG23 THR 53 HG23 THR 53 -6.507 -7.025 9.593 386 H PHE 54 H PHE 54 -5.922 -2.412 6.871 387 HA PHE 54 HA PHE 54 -3.291 -2.296 5.904 388 HB2 PHE 54 HB2 PHE 54 -5.260 -1.728 4.562 389 HB3 PHE 54 HB3 PHE 54 -5.612 -0.363 5.611 390 HD1 PHE 54 HD1 PHE 54 -3.323 -1.583 2.980 391 HD2 PHE 54 HD2 PHE 54 -4.584 1.763 5.387 392 HE1 PHE 54 HE1 PHE 54 -1.877 -0.042 1.644 393 HE2 PHE 54 HE2 PHE 54 -3.221 3.294 3.981 394 HZ PHE 54 HZ PHE 54 -1.807 2.376 2.168 395 H GLN 55 H GLN 55 -4.918 0.058 7.980 396 HA GLN 55 HA GLN 55 -2.829 1.959 8.279 397 HB2 GLN 55 HB2 GLN 55 -4.994 1.037 10.207 398 HB3 GLN 55 HB3 GLN 55 -3.962 2.443 10.503 399 HG2 GLN 55 HG2 GLN 55 -4.894 3.682 8.731 400 HG3 GLN 55 HG3 GLN 55 -5.527 2.246 7.916 401 HE21 GLN 55 HE21 GLN 55 -7.453 1.273 8.602 402 HE22 GLN 55 HE22 GLN 55 -8.516 2.107 9.717 403 H LYS 56 H LYS 56 -3.639 -0.694 10.541 404 HA LYS 56 HA LYS 56 -1.352 -0.412 12.220 405 HB2 LYS 56 HB2 LYS 56 -2.942 -2.925 11.630 406 HB3 LYS 56 HB3 LYS 56 -1.843 -2.730 12.987 407 HG2 LYS 56 HG2 LYS 56 -3.221 -1.257 14.144 408 HG3 LYS 56 HG3 LYS 56 -4.049 -0.686 12.690 409 HD2 LYS 56 HD2 LYS 56 -5.147 -2.877 12.421 410 HD3 LYS 56 HD3 LYS 56 -4.360 -3.457 13.899 411 HE2 LYS 56 HE2 LYS 56 -6.627 -2.835 14.431 412 HE3 LYS 56 HE3 LYS 56 -5.535 -1.682 15.206 413 HZ1 LYS 56 HZ1 LYS 56 -6.050 -0.083 13.492 414 HZ2 LYS 56 HZ2 LYS 56 -7.474 -0.654 14.045 415 HZ3 LYS 56 HZ3 LYS 56 -6.881 -1.180 12.599 416 H LYS 57 H LYS 57 -1.525 -2.012 9.143 417 HA LYS 57 HA LYS 57 0.880 -3.596 9.381 418 HB2 LYS 57 HB2 LYS 57 -1.176 -3.150 7.397 419 HB3 LYS 57 HB3 LYS 57 0.370 -2.939 6.602 420 HG2 LYS 57 HG2 LYS 57 -0.268 -5.335 8.358 421 HG3 LYS 57 HG3 LYS 57 -0.551 -5.305 6.611 422 HD2 LYS 57 HD2 LYS 57 1.735 -5.240 6.073 423 HD3 LYS 57 HD3 LYS 57 2.201 -4.595 7.640 424 HE2 LYS 57 HE2 LYS 57 2.974 -6.841 7.553 425 HE3 LYS 57 HE3 LYS 57 1.673 -6.742 8.742 426 HZ1 LYS 57 HZ1 LYS 57 1.473 -8.697 7.294 427 HZ2 LYS 57 HZ2 LYS 57 1.373 -7.758 5.960 428 HZ3 LYS 57 HZ3 LYS 57 0.178 -7.723 7.092 429 H HIS 58 H HIS 58 0.416 -0.494 7.702 430 HA HIS 58 HA HIS 58 3.339 0.076 7.934 431 HB2 HIS 58 HB2 HIS 58 2.946 0.802 5.353 432 HB3 HIS 58 HB3 HIS 58 3.641 -0.692 5.930 433 HD1 HIS 58 HD1 HIS 58 2.890 -2.410 4.211 434 HD2 HIS 58 HD2 HIS 58 -0.168 0.242 5.431 435 HE1 HIS 58 HE1 HIS 58 0.728 -3.180 3.024 436 HE2 HIS 58 HE2 HIS 58 -1.121 -1.533 3.789 437 H ILE 59 H ILE 59 0.792 1.360 9.008 438 HA ILE 59 HA ILE 59 1.726 4.146 8.464 439 HB ILE 59 HB ILE 59 -1.214 3.493 8.844 440 HG12 ILE 59 HG12 ILE 59 0.466 3.789 6.349 441 HG13 ILE 59 HG13 ILE 59 -0.766 2.594 6.713 442 HG21 ILE 59 HG21 ILE 59 0.208 6.043 7.985 443 HG22 ILE 59 HG22 ILE 59 -1.543 5.849 8.218 444 HG23 ILE 59 HG23 ILE 59 -0.491 5.766 9.599 445 HD11 ILE 59 HD11 ILE 59 -1.463 4.116 4.949 446 HD12 ILE 59 HD12 ILE 59 -2.520 4.321 6.373 447 HD13 ILE 59 HD13 ILE 59 -1.248 5.517 5.985 448 H THR 60 H THR 60 1.782 5.503 10.165 449 HA THR 60 HA THR 60 0.644 4.657 12.765 450 HB THR 60 HB THR 60 2.877 3.734 12.926 451 HG1 THR 60 HG1 THR 60 3.473 4.927 14.805 452 HG21 THR 60 HG21 THR 60 3.954 6.568 12.572 453 HG22 THR 60 HG22 THR 60 4.123 5.252 11.389 454 HG23 THR 60 HG23 THR 60 4.880 5.105 12.978 455 H ASN 61 H ASN 61 0.296 6.307 14.257 456 HA ASN 61 HA ASN 61 0.199 9.068 13.194 457 HB2 ASN 61 HB2 ASN 61 -0.864 7.875 15.788 458 HB3 ASN 61 HB3 ASN 61 -1.232 9.457 15.126 459 HD21 ASN 61 HD21 ASN 61 -1.682 8.479 12.275 460 HD22 ASN 61 HD22 ASN 61 -3.170 7.553 12.450 461 H THR 62 H THR 62 2.473 7.189 14.719 462 HA THR 62 HA THR 62 4.103 9.482 15.441 463 HB THR 62 HB THR 62 2.940 9.382 17.499 464 HG1 THR 62 HG1 THR 62 5.305 7.998 18.085 465 HG21 THR 62 HG21 THR 62 2.818 7.520 19.011 466 HG22 THR 62 HG22 THR 62 3.682 6.459 17.888 467 HG23 THR 62 HG23 THR 62 2.062 7.055 17.479 468 H ARG 63 H ARG 63 5.832 8.923 14.223 469 HA ARG 63 HA ARG 63 6.707 6.203 13.775 470 HB2 ARG 63 HB2 ARG 63 7.222 8.069 12.192 471 HB3 ARG 63 HB3 ARG 63 8.303 8.762 13.420 472 HG2 ARG 63 HG2 ARG 63 9.508 6.440 13.374 473 HG3 ARG 63 HG3 ARG 63 8.483 6.088 11.974 474 HD2 ARG 63 HD2 ARG 63 10.587 6.776 11.180 475 HD3 ARG 63 HD3 ARG 63 9.455 8.088 10.833 476 HE ARG 63 HE ARG 63 11.579 8.026 12.961 477 HH11 ARG 63 HH11 ARG 63 9.298 10.041 11.246 478 HH12 ARG 63 HH12 ARG 63 9.939 11.508 11.939 479 HH21 ARG 63 HH21 ARG 63 12.332 9.910 13.820 480 HH22 ARG 63 HH22 ARG 63 11.626 11.421 13.341 481 H ASP 64 H ASP 64 7.143 5.041 15.499 482 HA ASP 64 HA ASP 64 9.233 5.934 17.432 483 HB2 ASP 64 HB2 ASP 64 6.905 5.352 18.225 484 HB3 ASP 64 HB3 ASP 64 7.195 3.697 17.694 485 H VAL 65 H VAL 65 9.249 4.302 14.669 486 HA VAL 65 HA VAL 65 10.758 1.898 15.373 487 HB VAL 65 HB VAL 65 9.305 1.790 13.488 488 HG11 VAL 65 HG11 VAL 65 9.161 4.034 12.682 489 HG12 VAL 65 HG12 VAL 65 10.892 4.064 12.239 490 HG13 VAL 65 HG13 VAL 65 9.753 3.024 11.370 491 HG21 VAL 65 HG21 VAL 65 12.097 1.808 12.315 492 HG22 VAL 65 HG22 VAL 65 11.490 0.535 13.418 493 HG23 VAL 65 HG23 VAL 65 10.716 0.806 11.860 494 H ASP 66 H ASP 66 12.863 1.501 15.182 495 HA ASP 66 HA ASP 66 14.765 3.580 14.174 496 HB2 ASP 66 HB2 ASP 66 14.572 3.442 16.711 497 HB3 ASP 66 HB3 ASP 66 15.233 1.813 16.596 498 H CYS 67 H CYS 67 13.548 0.830 13.295 499 HA CYS 67 HA CYS 67 14.068 -1.169 12.372 500 HB2 CYS 67 HB2 CYS 67 16.269 0.472 11.126 501 HB3 CYS 67 HB3 CYS 67 15.564 -1.017 10.481 502 H ASP 68 H ASP 68 14.965 -1.089 14.891 503 HA ASP 68 HA ASP 68 16.874 -3.309 14.998 504 HB2 ASP 68 HB2 ASP 68 17.447 -0.583 16.139 505 HB3 ASP 68 HB3 ASP 68 17.882 -1.979 17.112 506 H ASN 69 H ASN 69 14.293 -1.413 16.505 507 HA ASN 69 HA ASN 69 13.999 -3.383 18.695 508 HB2 ASN 69 HB2 ASN 69 12.794 -0.615 18.321 509 HB3 ASN 69 HB3 ASN 69 12.580 -1.662 19.722 510 HD21 ASN 69 HD21 ASN 69 14.741 0.557 18.139 511 HD22 ASN 69 HD22 ASN 69 16.028 0.438 19.321 512 H ILE 70 H ILE 70 12.740 -2.990 15.595 513 HA ILE 70 HA ILE 70 9.958 -3.462 15.995 514 HB ILE 70 HB ILE 70 9.863 -3.979 13.644 515 HG12 ILE 70 HG12 ILE 70 12.884 -4.292 13.831 516 HG13 ILE 70 HG13 ILE 70 11.680 -5.426 13.196 517 HG21 ILE 70 HG21 ILE 70 10.622 -1.844 12.843 518 HG22 ILE 70 HG22 ILE 70 10.133 -1.637 14.524 519 HG23 ILE 70 HG23 ILE 70 11.861 -1.731 14.116 520 HD11 ILE 70 HD11 ILE 70 12.895 -4.506 11.356 521 HD12 ILE 70 HD12 ILE 70 11.255 -3.816 11.312 522 HD13 ILE 70 HD13 ILE 70 12.623 -2.849 11.919 523 H MET 71 H MET 71 12.493 -5.510 16.597 524 HA MET 71 HA MET 71 11.342 -8.131 16.318 525 HB2 MET 71 HB2 MET 71 13.723 -7.437 16.969 526 HB3 MET 71 HB3 MET 71 13.117 -7.190 18.604 527 HG2 MET 71 HG2 MET 71 12.506 -9.556 18.752 528 HG3 MET 71 HG3 MET 71 12.875 -9.792 17.036 529 HE1 MET 71 HE1 MET 71 13.999 -11.735 19.219 530 HE2 MET 71 HE2 MET 71 14.388 -11.862 17.486 531 HE3 MET 71 HE3 MET 71 15.690 -11.901 18.696 532 H SER 72 H SER 72 10.590 -5.495 18.486 533 HA SER 72 HA SER 72 8.894 -7.161 20.263 534 HB2 SER 72 HB2 SER 72 10.612 -5.453 21.080 535 HB3 SER 72 HB3 SER 72 9.508 -4.200 20.495 536 HG SER 72 HG SER 72 7.886 -5.196 21.875 537 H THR 73 H THR 73 8.376 -5.571 17.340 538 HA THR 73 HA THR 73 5.553 -4.831 18.022 539 HB THR 73 HB THR 73 5.478 -3.374 16.160 540 HG1 THR 73 HG1 THR 73 7.356 -3.039 14.881 541 HG21 THR 73 HG21 THR 73 8.146 -2.818 17.528 542 HG22 THR 73 HG22 THR 73 6.548 -2.412 18.194 543 HG23 THR 73 HG23 THR 73 7.102 -1.653 16.691 544 H ASN 74 H ASN 74 4.236 -4.990 15.746 545 HA ASN 74 HA ASN 74 3.952 -7.796 15.197 546 HB2 ASN 74 HB2 ASN 74 2.904 -5.476 13.522 547 HB3 ASN 74 HB3 ASN 74 2.283 -7.118 13.577 548 HD21 ASN 74 HD21 ASN 74 1.880 -3.984 14.799 549 HD22 ASN 74 HD22 ASN 74 0.829 -4.430 16.136 550 H LEU 75 H LEU 75 6.145 -5.507 13.864 551 HA LEU 75 HA LEU 75 6.474 -6.836 11.257 552 HB2 LEU 75 HB2 LEU 75 7.656 -4.351 12.543 553 HB3 LEU 75 HB3 LEU 75 8.093 -4.908 10.956 554 HG LEU 75 HG LEU 75 6.623 -3.147 10.632 555 HD11 LEU 75 HD11 LEU 75 6.301 -5.098 9.115 556 HD12 LEU 75 HD12 LEU 75 4.865 -4.077 9.283 557 HD13 LEU 75 HD13 LEU 75 4.943 -5.628 10.134 558 HD21 LEU 75 HD21 LEU 75 4.409 -2.886 11.453 559 HD22 LEU 75 HD22 LEU 75 5.470 -3.166 12.849 560 HD23 LEU 75 HD23 LEU 75 4.428 -4.472 12.226 561 H PHE 76 H PHE 76 7.425 -8.111 13.873 562 HA PHE 76 HA PHE 76 10.285 -8.212 13.930 563 HB2 PHE 76 HB2 PHE 76 10.027 -9.881 15.554 564 HB3 PHE 76 HB3 PHE 76 8.714 -8.749 15.822 565 HD1 PHE 76 HD2 PHE 76 6.342 -9.419 15.076 566 HD2 PHE 76 HD1 PHE 76 9.647 -12.182 15.060 567 HE1 PHE 76 HE2 PHE 76 4.750 -11.314 14.983 568 HE2 PHE 76 HE1 PHE 76 8.051 -14.085 14.967 569 HZ PHE 76 HZ PHE 76 5.600 -13.655 14.932 570 H HIS 77 H HIS 77 8.209 -9.488 11.713 571 HA HIS 77 HA HIS 77 9.037 -12.117 11.141 572 HB2 HIS 77 HB2 HIS 77 7.838 -9.943 9.373 573 HB3 HIS 77 HB3 HIS 77 7.892 -11.653 8.929 574 HD1 HIS 77 HD1 HIS 77 6.683 -13.280 11.085 575 HD2 HIS 77 HD2 HIS 77 5.554 -9.260 10.403 576 HE1 HIS 77 HE1 HIS 77 4.392 -12.956 12.219 577 HE2 HIS 77 HE2 HIS 77 3.729 -10.494 11.813 578 H CYS 78 H CYS 78 11.077 -9.591 10.854 579 HA CYS 78 HA CYS 78 12.880 -8.965 9.581 580 HB2 CYS 78 HB2 CYS 78 13.533 -11.114 10.794 581 HB3 CYS 78 HB3 CYS 78 13.384 -11.926 9.237 582 H LYS 79 H LYS 79 10.903 -8.458 8.070 583 HA LYS 79 HA LYS 79 10.900 -9.576 5.400 584 HB2 LYS 79 HB2 LYS 79 9.818 -7.316 4.819 585 HB3 LYS 79 HB3 LYS 79 8.967 -8.425 5.869 586 HG2 LYS 79 HG2 LYS 79 8.843 -6.017 6.523 587 HG3 LYS 79 HG3 LYS 79 9.343 -7.153 7.790 588 HD2 LYS 79 HD2 LYS 79 11.597 -6.397 7.744 589 HD3 LYS 79 HD3 LYS 79 11.412 -5.635 6.165 590 HE2 LYS 79 HE2 LYS 79 11.684 -4.142 8.144 591 HE3 LYS 79 HE3 LYS 79 10.387 -3.772 6.997 592 HZ1 LYS 79 HZ1 LYS 79 9.679 -3.577 9.343 593 HZ2 LYS 79 HZ2 LYS 79 9.992 -5.167 9.600 594 HZ3 LYS 79 HZ3 LYS 79 8.791 -4.705 8.566 595 H ASP 80 H ASP 80 11.470 -8.236 3.505 596 HA ASP 80 HA ASP 80 14.347 -7.631 3.495 597 HB2 ASP 80 HB2 ASP 80 12.222 -7.439 1.319 598 HB3 ASP 80 HB3 ASP 80 13.947 -7.195 1.066 599 H LYS 81 H LYS 81 11.384 -5.782 3.476 600 HA LYS 81 HA LYS 81 12.577 -3.355 4.381 601 HB2 LYS 81 HB2 LYS 81 11.923 -1.915 2.393 602 HB3 LYS 81 HB3 LYS 81 13.296 -2.975 2.111 603 HG2 LYS 81 HG2 LYS 81 11.785 -4.597 0.986 604 HG3 LYS 81 HG3 LYS 81 10.467 -3.405 1.129 605 HD2 LYS 81 HD2 LYS 81 13.139 -2.943 -0.273 606 HD3 LYS 81 HD3 LYS 81 11.717 -3.522 -1.116 607 HE2 LYS 81 HE2 LYS 81 11.622 -0.929 0.466 608 HE3 LYS 81 HE3 LYS 81 12.328 -0.973 -1.148 609 HZ1 LYS 81 HZ1 LYS 81 10.236 -1.815 -2.016 610 HZ2 LYS 81 HZ2 LYS 81 9.974 -0.408 -1.241 611 HZ3 LYS 81 HZ3 LYS 81 9.547 -1.818 -0.534 612 H ASN 82 H ASN 82 10.951 -1.669 4.763 613 HA ASN 82 HA ASN 82 8.187 -2.247 4.008 614 HB2 ASN 82 HB2 ASN 82 8.411 -3.382 6.229 615 HB3 ASN 82 HB3 ASN 82 8.838 -1.818 6.957 616 HD21 ASN 82 HD21 ASN 82 7.025 -1.561 8.306 617 HD22 ASN 82 HD22 ASN 82 5.379 -1.655 7.721 618 H THR 83 H THR 83 6.979 -0.433 3.753 619 HA THR 83 HA THR 83 8.248 2.254 4.052 620 HB THR 83 HB THR 83 5.594 1.429 2.771 621 HG1 THR 83 HG1 THR 83 7.556 0.654 1.732 622 HG21 THR 83 HG21 THR 83 7.206 4.006 2.638 623 HG22 THR 83 HG22 THR 83 5.639 3.807 3.449 624 HG23 THR 83 HG23 THR 83 5.745 3.660 1.692 625 H PHE 84 H PHE 84 7.887 3.160 6.118 626 HA PHE 84 HA PHE 84 5.164 2.854 7.293 627 HB2 PHE 84 HB2 PHE 84 7.640 4.084 8.483 628 HB3 PHE 84 HB3 PHE 84 6.066 4.002 9.248 629 HD1 PHE 84 HD1 PHE 84 5.014 1.500 9.323 630 HD2 PHE 84 HD2 PHE 84 9.204 2.517 9.088 631 HE1 PHE 84 HE1 PHE 84 5.595 -0.653 10.427 632 HE2 PHE 84 HE2 PHE 84 9.788 0.245 9.955 633 HZ PHE 84 HZ PHE 84 7.982 -1.283 10.757 634 H ILE 85 H ILE 85 3.701 4.376 7.028 635 HA ILE 85 HA ILE 85 4.416 7.082 5.985 636 HB ILE 85 HB ILE 85 1.795 5.563 6.181 637 HG12 ILE 85 HG12 ILE 85 3.303 6.310 3.635 638 HG13 ILE 85 HG13 ILE 85 3.495 4.746 4.421 639 HG21 ILE 85 HG21 ILE 85 0.778 7.368 4.907 640 HG22 ILE 85 HG22 ILE 85 1.504 8.034 6.360 641 HG23 ILE 85 HG23 ILE 85 2.335 8.229 4.804 642 HD11 ILE 85 HD11 ILE 85 1.087 4.288 4.206 643 HD12 ILE 85 HD12 ILE 85 0.881 5.807 3.304 644 HD13 ILE 85 HD13 ILE 85 1.898 4.513 2.644 645 H TYR 86 H TYR 86 4.797 8.521 7.649 646 HA TYR 86 HA TYR 86 3.253 8.285 10.171 647 HB2 TYR 86 HB2 TYR 86 5.579 8.670 10.432 648 HB3 TYR 86 HB3 TYR 86 5.528 10.034 9.335 649 HD1 TYR 86 HD1 TYR 86 2.759 9.792 11.807 650 HD2 TYR 86 HD2 TYR 86 6.741 11.314 11.069 651 HE1 TYR 86 HE1 TYR 86 2.471 11.446 13.603 652 HE2 TYR 86 HE2 TYR 86 6.455 12.925 12.947 653 HH TYR 86 HH TYR 86 3.412 13.126 14.825 654 H SER 87 H SER 87 1.188 8.672 9.522 655 HA SER 87 HA SER 87 0.475 11.497 9.046 656 HB2 SER 87 HB2 SER 87 -0.992 11.012 7.184 657 HB3 SER 87 HB3 SER 87 0.628 10.429 6.782 658 HG SER 87 HG SER 87 -1.110 8.927 6.322 659 H ARG 88 H ARG 88 -2.028 11.634 8.993 660 HA ARG 88 HA ARG 88 -3.303 10.031 11.167 661 HB2 ARG 88 HB2 ARG 88 -4.042 12.587 9.661 662 HB3 ARG 88 HB3 ARG 88 -5.190 11.768 10.700 663 HG2 ARG 88 HG2 ARG 88 -2.463 12.776 11.635 664 HG3 ARG 88 HG3 ARG 88 -3.949 13.700 11.765 665 HD2 ARG 88 HD2 ARG 88 -4.291 11.016 12.938 666 HD3 ARG 88 HD3 ARG 88 -2.891 11.829 13.609 667 HE ARG 88 HE ARG 88 -4.274 13.235 14.779 668 HH11 ARG 88 HH11 ARG 88 -6.253 11.962 12.220 669 HH12 ARG 88 HH12 ARG 88 -7.634 12.943 12.622 670 HH21 ARG 88 HH21 ARG 88 -6.119 14.313 15.418 671 HH22 ARG 88 HH22 ARG 88 -7.584 14.094 14.499 672 HA PRO 89 HA PRO 89 -5.467 7.606 8.141 673 HB2 PRO 89 HB2 PRO 89 -7.894 7.065 9.298 674 HB3 PRO 89 HB3 PRO 89 -6.345 6.387 9.886 675 HG2 PRO 89 HG2 PRO 89 -7.828 8.829 10.918 676 HG3 PRO 89 HG3 PRO 89 -7.180 7.447 11.863 677 HD2 PRO 89 HD2 PRO 89 -5.786 9.752 11.614 678 HD3 PRO 89 HD3 PRO 89 -4.952 8.174 11.567 679 H GLU 90 H GLU 90 -6.907 10.662 9.067 680 HA GLU 90 HA GLU 90 -9.208 10.667 7.369 681 HB2 GLU 90 HB2 GLU 90 -7.606 12.901 8.660 682 HB3 GLU 90 HB3 GLU 90 -9.062 13.176 7.693 683 HG2 GLU 90 HG2 GLU 90 -10.385 11.806 9.229 684 HG3 GLU 90 HG3 GLU 90 -8.941 11.358 10.137 685 HA PRO 91 HA PRO 91 -6.653 12.806 3.931 686 HB2 PRO 91 HB2 PRO 91 -3.903 12.861 4.045 687 HB3 PRO 91 HB3 PRO 91 -4.943 14.142 4.725 688 HG2 PRO 91 HG2 PRO 91 -3.661 11.798 6.148 689 HG3 PRO 91 HG3 PRO 91 -3.683 13.519 6.652 690 HD2 PRO 91 HD2 PRO 91 -5.415 11.718 7.668 691 HD3 PRO 91 HD3 PRO 91 -5.943 13.374 7.343 692 H VAL 92 H VAL 92 -6.154 9.804 5.242 693 HA VAL 92 HA VAL 92 -5.003 8.587 2.745 694 HB VAL 92 HB VAL 92 -5.564 7.227 5.403 695 HG11 VAL 92 HG11 VAL 92 -5.422 5.668 3.530 696 HG12 VAL 92 HG12 VAL 92 -3.908 6.411 2.975 697 HG13 VAL 92 HG13 VAL 92 -3.966 5.533 4.517 698 HG21 VAL 92 HG21 VAL 92 -2.849 8.153 4.417 699 HG22 VAL 92 HG22 VAL 92 -3.780 8.999 5.666 700 HG23 VAL 92 HG23 VAL 92 -3.229 7.351 5.948 701 H LYS 93 H LYS 93 -7.736 8.105 5.014 702 HA LYS 93 HA LYS 93 -9.143 6.359 3.212 703 HB2 LYS 93 HB2 LYS 93 -9.428 6.904 5.864 704 HB3 LYS 93 HB3 LYS 93 -10.746 7.890 5.222 705 HG2 LYS 93 HG2 LYS 93 -11.208 5.632 3.808 706 HG3 LYS 93 HG3 LYS 93 -10.356 4.891 5.168 707 HD2 LYS 93 HD2 LYS 93 -12.906 6.583 5.337 708 HD3 LYS 93 HD3 LYS 93 -12.804 4.824 5.323 709 HE2 LYS 93 HE2 LYS 93 -13.063 5.189 7.541 710 HE3 LYS 93 HE3 LYS 93 -11.316 5.002 7.383 711 HZ1 LYS 93 HZ1 LYS 93 -12.736 7.601 7.607 712 HZ2 LYS 93 HZ2 LYS 93 -11.107 7.428 7.509 713 HZ3 LYS 93 HZ3 LYS 93 -11.915 6.869 8.811 714 H ALA 94 H ALA 94 -9.445 9.839 3.791 715 HA ALA 94 HA ALA 94 -11.834 10.148 2.191 716 HB1 ALA 94 HB1 ALA 94 -9.918 12.264 3.230 717 HB2 ALA 94 HB2 ALA 94 -11.603 12.494 2.723 718 HB3 ALA 94 HB3 ALA 94 -11.248 11.539 4.176 719 H ILE 95 H ILE 95 -8.642 9.763 1.154 720 HA ILE 95 HA ILE 95 -8.457 11.446 -1.108 721 HB ILE 95 HB ILE 95 -7.598 8.531 -0.970 722 HG12 ILE 95 HG12 ILE 95 -5.918 10.992 -0.291 723 HG13 ILE 95 HG13 ILE 95 -6.687 9.970 0.914 724 HG21 ILE 95 HG21 ILE 95 -5.973 9.118 -2.691 725 HG22 ILE 95 HG22 ILE 95 -7.552 9.591 -3.275 726 HG23 ILE 95 HG23 ILE 95 -6.458 10.828 -2.642 727 HD11 ILE 95 HD11 ILE 95 -4.517 9.064 -1.012 728 HD12 ILE 95 HD12 ILE 95 -4.387 9.322 0.729 729 HD13 ILE 95 HD13 ILE 95 -5.395 8.002 0.117 730 H CYS 96 H CYS 96 -10.390 8.531 -0.577 731 HA CYS 96 HA CYS 96 -11.766 8.943 -3.199 732 HB2 CYS 96 HB2 CYS 96 -12.465 6.603 -3.009 733 HB3 CYS 96 HB3 CYS 96 -10.721 6.812 -3.185 734 H LYS 97 H LYS 97 -13.981 8.635 -3.280 735 HA LYS 97 HA LYS 97 -15.660 8.422 -0.896 736 HB2 LYS 97 HB2 LYS 97 -15.037 10.838 -0.972 737 HB3 LYS 97 HB3 LYS 97 -15.791 10.995 -2.549 738 HG2 LYS 97 HG2 LYS 97 -17.345 9.944 -0.146 739 HG3 LYS 97 HG3 LYS 97 -17.050 11.670 -0.346 740 HD2 LYS 97 HD2 LYS 97 -18.147 11.625 -2.570 741 HD3 LYS 97 HD3 LYS 97 -18.578 9.928 -2.336 742 HE2 LYS 97 HE2 LYS 97 -19.397 12.185 -0.454 743 HE3 LYS 97 HE3 LYS 97 -20.382 11.632 -1.807 744 HZ1 LYS 97 HZ1 LYS 97 -20.482 9.432 -0.779 745 HZ2 LYS 97 HZ2 LYS 97 -21.054 10.558 0.248 746 HZ3 LYS 97 HZ3 LYS 97 -19.572 9.930 0.490 747 H GLY 98 H GLY 98 -16.959 6.874 -1.557 748 HA2 GLY 98 HA2 GLY 98 -18.778 5.916 -2.705 749 HA3 GLY 98 HA3 GLY 98 -18.658 7.152 -3.947 750 H ILE 99 H ILE 99 -15.598 5.807 -3.532 751 HA ILE 99 HA ILE 99 -15.735 4.447 -6.100 752 HB ILE 99 HB ILE 99 -13.422 4.864 -4.181 753 HG12 ILE 99 HG12 ILE 99 -14.300 6.219 -6.778 754 HG13 ILE 99 HG13 ILE 99 -14.307 6.929 -5.166 755 HG21 ILE 99 HG21 ILE 99 -12.991 2.834 -5.512 756 HG22 ILE 99 HG22 ILE 99 -13.439 3.700 -7.010 757 HG23 ILE 99 HG23 ILE 99 -11.991 4.143 -6.088 758 HD11 ILE 99 HD11 ILE 99 -11.764 6.652 -5.155 759 HD12 ILE 99 HD12 ILE 99 -11.902 6.307 -6.890 760 HD13 ILE 99 HD13 ILE 99 -12.449 7.865 -6.245 761 H ILE 100 H ILE 100 -16.461 2.545 -6.341 762 HA ILE 100 HA ILE 100 -15.858 0.312 -4.433 763 HB ILE 100 HB ILE 100 -18.017 0.266 -6.561 764 HG12 ILE 100 HG12 ILE 100 -18.226 1.302 -3.703 765 HG13 ILE 100 HG13 ILE 100 -18.571 2.195 -5.186 766 HG21 ILE 100 HG21 ILE 100 -17.822 -1.191 -3.901 767 HG22 ILE 100 HG22 ILE 100 -18.965 -1.515 -5.216 768 HG23 ILE 100 HG23 ILE 100 -17.273 -1.907 -5.434 769 HD11 ILE 100 HD11 ILE 100 -20.649 1.688 -4.179 770 HD12 ILE 100 HD12 ILE 100 -20.505 0.668 -5.625 771 HD13 ILE 100 HD13 ILE 100 -20.250 -0.024 -3.999 772 H ALA 101 H ALA 101 -14.958 1.630 -7.363 773 HA ALA 101 HA ALA 101 -14.678 -0.626 -9.084 774 HB1 ALA 101 HB1 ALA 101 -13.662 1.031 -10.583 775 HB2 ALA 101 HB2 ALA 101 -15.088 1.715 -9.792 776 HB3 ALA 101 HB3 ALA 101 -13.457 2.166 -9.233 777 H SER 102 H SER 102 -12.840 -0.345 -6.423 778 HA SER 102 HA SER 102 -10.718 -0.802 -5.742 779 HB2 SER 102 HB2 SER 102 -11.431 -2.976 -6.570 780 HB3 SER 102 HB3 SER 102 -10.666 -2.646 -8.133 781 HG SER 102 HG SER 102 -8.678 -2.589 -7.140 782 H LYS 103 H LYS 103 -10.316 1.533 -6.402 783 HA LYS 103 HA LYS 103 -7.770 1.802 -7.834 784 HB2 LYS 103 HB2 LYS 103 -9.422 1.861 -9.691 785 HB3 LYS 103 HB3 LYS 103 -10.247 3.223 -8.929 786 HG2 LYS 103 HG2 LYS 103 -8.278 4.642 -9.230 787 HG3 LYS 103 HG3 LYS 103 -7.319 3.260 -9.800 788 HD2 LYS 103 HD2 LYS 103 -8.784 3.070 -11.787 789 HD3 LYS 103 HD3 LYS 103 -9.764 4.434 -11.199 790 HE2 LYS 103 HE2 LYS 103 -7.753 5.899 -11.261 791 HE3 LYS 103 HE3 LYS 103 -6.778 4.544 -11.838 792 HZ1 LYS 103 HZ1 LYS 103 -8.171 4.475 -13.839 793 HZ2 LYS 103 HZ2 LYS 103 -7.505 5.954 -13.675 794 HZ3 LYS 103 HZ3 LYS 103 -9.077 5.727 -13.306 795 H ASN 104 H ASN 104 -6.694 3.823 -7.243 796 HA ASN 104 HA ASN 104 -8.366 5.887 -6.006 797 HB2 ASN 104 HB2 ASN 104 -6.888 4.250 -4.361 798 HB3 ASN 104 HB3 ASN 104 -5.720 5.520 -4.658 799 HD21 ASN 104 HD21 ASN 104 -6.869 4.970 -2.095 800 HD22 ASN 104 HD22 ASN 104 -7.723 6.431 -1.653 801 H VAL 105 H VAL 105 -6.544 7.782 -5.445 802 HA VAL 105 HA VAL 105 -4.846 8.194 -7.868 803 HB VAL 105 HB VAL 105 -6.446 10.371 -6.455 804 HG11 VAL 105 HG11 VAL 105 -4.832 10.391 -9.049 805 HG12 VAL 105 HG12 VAL 105 -5.802 11.740 -8.420 806 HG13 VAL 105 HG13 VAL 105 -4.382 11.201 -7.532 807 HG21 VAL 105 HG21 VAL 105 -7.798 10.496 -8.546 808 HG22 VAL 105 HG22 VAL 105 -7.001 9.019 -9.134 809 HG23 VAL 105 HG23 VAL 105 -8.039 8.975 -7.691 810 H LEU 106 H LEU 106 -2.814 8.892 -7.395 811 HA LEU 106 HA LEU 106 -1.596 8.830 -4.898 812 HB2 LEU 106 HB2 LEU 106 -0.443 8.898 -7.110 813 HB3 LEU 106 HB3 LEU 106 -0.983 10.557 -7.346 814 HG LEU 106 HG LEU 106 0.438 11.176 -5.287 815 HD11 LEU 106 HD11 LEU 106 1.769 8.520 -5.829 816 HD12 LEU 106 HD12 LEU 106 0.571 8.738 -4.561 817 HD13 LEU 106 HD13 LEU 106 2.078 9.669 -4.500 818 HD21 LEU 106 HD21 LEU 106 1.167 11.706 -7.537 819 HD22 LEU 106 HD22 LEU 106 1.751 10.052 -7.780 820 HD23 LEU 106 HD23 LEU 106 2.548 11.118 -6.597 821 H THR 107 H THR 107 -1.199 10.262 -3.227 822 HA THR 107 HA THR 107 -2.982 12.467 -2.745 823 HB THR 107 HB THR 107 -0.760 12.903 -1.088 824 HG1 THR 107 HG1 THR 107 -1.248 10.149 -1.098 825 HG21 THR 107 HG21 THR 107 -2.193 11.758 0.637 826 HG22 THR 107 HG22 THR 107 -3.252 11.189 -0.662 827 HG23 THR 107 HG23 THR 107 -3.107 12.928 -0.336 828 H THR 108 H THR 108 -2.086 14.638 -2.012 829 HA THR 108 HA THR 108 -0.227 15.788 -4.080 830 HB THR 108 HB THR 108 -2.609 16.289 -4.494 831 HG1 THR 108 HG1 THR 108 -1.094 17.719 -5.246 832 HG21 THR 108 HG21 THR 108 -3.448 16.496 -2.170 833 HG22 THR 108 HG22 THR 108 -3.794 17.932 -3.140 834 HG23 THR 108 HG23 THR 108 -2.477 17.972 -1.955 835 H SER 109 H SER 109 -0.912 15.574 -0.712 836 HA SER 109 HA SER 109 0.789 17.847 0.108 837 HB2 SER 109 HB2 SER 109 -0.599 15.686 1.741 838 HB3 SER 109 HB3 SER 109 0.172 17.141 2.386 839 HG SER 109 HG SER 109 -1.373 18.394 1.251 840 H GLU 110 H GLU 110 2.450 17.352 1.865 841 HA GLU 110 HA GLU 110 4.089 14.979 1.105 842 HB2 GLU 110 HB2 GLU 110 5.120 17.635 2.107 843 HB3 GLU 110 HB3 GLU 110 6.051 16.259 1.501 844 HG2 GLU 110 HG2 GLU 110 4.768 16.534 -0.701 845 HG3 GLU 110 HG3 GLU 110 4.205 18.084 -0.086 846 H PHE 111 H PHE 111 4.033 13.441 2.568 847 HA PHE 111 HA PHE 111 3.666 14.055 5.458 848 HB2 PHE 111 HB2 PHE 111 3.310 11.393 4.051 849 HB3 PHE 111 HB3 PHE 111 2.728 11.860 5.640 850 HD1 PHE 111 HD2 PHE 111 2.242 12.223 1.992 851 HD2 PHE 111 HD1 PHE 111 0.565 13.031 5.878 852 HE1 PHE 111 HE2 PHE 111 0.106 12.819 0.932 853 HE2 PHE 111 HE1 PHE 111 -1.598 13.617 4.808 854 HZ PHE 111 HZ PHE 111 -1.831 13.494 2.312 855 H TYR 112 H TYR 112 4.843 12.558 6.981 856 HA TYR 112 HA TYR 112 7.671 12.403 6.252 857 HB2 TYR 112 HB2 TYR 112 6.057 12.170 8.724 858 HB3 TYR 112 HB3 TYR 112 7.451 11.099 8.648 859 HD1 TYR 112 HD1 TYR 112 6.481 14.697 8.262 860 HD2 TYR 112 HD2 TYR 112 9.617 11.855 9.089 861 HE1 TYR 112 HE1 TYR 112 8.002 16.567 8.911 862 HE2 TYR 112 HE2 TYR 112 11.134 13.728 9.759 863 HH TYR 112 HH TYR 112 10.082 17.149 9.666 864 H LEU 113 H LEU 113 8.339 10.910 4.931 865 HA LEU 113 HA LEU 113 7.227 8.158 5.023 866 HB2 LEU 113 HB2 LEU 113 8.369 9.863 2.921 867 HB3 LEU 113 HB3 LEU 113 9.070 8.252 2.945 868 HG LEU 113 HG LEU 113 7.175 8.421 1.457 869 HD11 LEU 113 HD11 LEU 113 6.017 6.414 2.051 870 HD12 LEU 113 HD12 LEU 113 6.515 6.551 3.745 871 HD13 LEU 113 HD13 LEU 113 7.730 6.267 2.477 872 HD21 LEU 113 HD21 LEU 113 5.814 10.072 2.749 873 HD22 LEU 113 HD22 LEU 113 5.360 8.773 3.867 874 HD23 LEU 113 HD23 LEU 113 4.891 8.677 2.158 875 H SER 114 H SER 114 8.166 6.628 6.030 876 HA SER 114 HA SER 114 11.061 6.754 6.817 877 HB2 SER 114 HB2 SER 114 9.656 7.271 8.715 878 HB3 SER 114 HB3 SER 114 8.627 5.887 8.393 879 HG SER 114 HG SER 114 10.040 5.231 9.965 880 H ASP 115 H ASP 115 11.754 5.517 5.083 881 HA ASP 115 HA ASP 115 10.699 2.751 4.724 882 HB2 ASP 115 HB2 ASP 115 12.906 4.272 3.296 883 HB3 ASP 115 HB3 ASP 115 12.319 2.671 2.868 884 H CYS 116 H CYS 116 12.157 0.922 4.891 885 HA CYS 116 HA CYS 116 14.923 1.380 5.707 886 HB2 CYS 116 HB2 CYS 116 12.897 0.180 7.535 887 HB3 CYS 116 HB3 CYS 116 14.371 -0.755 7.338 888 H ASN 117 H ASN 117 16.243 -0.170 4.851 889 HA ASN 117 HA ASN 117 15.021 -2.353 3.200 890 HB2 ASN 117 HB2 ASN 117 17.075 -0.249 2.354 891 HB3 ASN 117 HB3 ASN 117 16.661 -1.678 1.414 892 HD21 ASN 117 HD21 ASN 117 15.538 1.537 2.403 893 HD22 ASN 117 HD22 ASN 117 14.178 1.509 1.284 894 H VAL 118 H VAL 118 16.021 -4.289 3.446 895 HA VAL 118 HA VAL 118 17.989 -4.640 5.470 896 HB VAL 118 HB VAL 118 16.920 -6.446 3.315 897 HG11 VAL 118 HG11 VAL 118 18.969 -7.272 5.423 898 HG12 VAL 118 HG12 VAL 118 18.013 -8.387 4.425 899 HG13 VAL 118 HG13 VAL 118 19.196 -7.338 3.653 900 HG21 VAL 118 HG21 VAL 118 15.504 -5.930 5.247 901 HG22 VAL 118 HG22 VAL 118 15.971 -7.630 5.269 902 HG23 VAL 118 HG23 VAL 118 16.774 -6.480 6.358 903 H THR 119 H THR 119 20.110 -5.105 5.544 904 HA THR 119 HA THR 119 21.757 -5.064 3.065 905 HB THR 119 HB THR 119 21.963 -2.858 3.777 906 HG1 THR 119 HG1 THR 119 24.293 -4.119 4.725 907 HG21 THR 119 HG21 THR 119 22.843 -2.085 5.893 908 HG22 THR 119 HG22 THR 119 22.897 -3.739 6.532 909 HG23 THR 119 HG23 THR 119 21.338 -2.975 6.155 910 H SER 120 H SER 120 22.275 -7.081 2.980 911 HA SER 120 HA SER 120 23.890 -8.361 5.119 912 HB2 SER 120 HB2 SER 120 21.480 -9.024 5.415 913 HB3 SER 120 HB3 SER 120 21.535 -9.762 3.802 914 HG SER 120 HG SER 120 22.037 -11.275 5.505 Start of MODEL 7 1 H1 ARG 1 H1 ARG 1 16.722 -5.915 18.665 2 H2 ARG 1 H2 ARG 1 18.089 -6.619 19.250 3 H3 ARG 1 H3 ARG 1 17.960 -4.986 19.164 4 HA ARG 1 HA ARG 1 17.891 -5.026 16.769 5 HB2 ARG 1 HB2 ARG 1 20.011 -4.684 17.922 6 HB3 ARG 1 HB3 ARG 1 20.307 -6.418 17.989 7 HG2 ARG 1 HG2 ARG 1 20.503 -6.547 15.557 8 HG3 ARG 1 HG3 ARG 1 20.005 -4.856 15.375 9 HD2 ARG 1 HD2 ARG 1 22.473 -5.723 16.943 10 HD3 ARG 1 HD3 ARG 1 22.502 -5.332 15.216 11 HE ARG 1 HE ARG 1 21.233 -3.163 16.528 12 HH11 ARG 1 HH11 ARG 1 24.477 -4.485 16.534 13 HH12 ARG 1 HH12 ARG 1 25.185 -2.924 16.859 14 HH21 ARG 1 HH21 ARG 1 22.121 -1.322 16.927 15 HH22 ARG 1 HH22 ARG 1 23.856 -1.122 17.080 16 HA PRO 2 HA PRO 2 16.490 -9.217 15.556 17 HB2 PRO 2 HB2 PRO 2 14.858 -8.482 13.476 18 HB3 PRO 2 HB3 PRO 2 14.361 -8.475 15.187 19 HG2 PRO 2 HG2 PRO 2 15.255 -6.131 13.509 20 HG3 PRO 2 HG3 PRO 2 13.893 -6.225 14.661 21 HD2 PRO 2 HD2 PRO 2 16.313 -5.118 15.308 22 HD3 PRO 2 HD3 PRO 2 15.302 -5.973 16.502 23 H CYS 3 H CYS 3 17.060 -6.699 13.090 24 HA CYS 3 HA CYS 3 19.336 -8.139 11.899 25 HB2 CYS 3 HB2 CYS 3 16.954 -7.128 10.272 26 HB3 CYS 3 HB3 CYS 3 18.437 -7.780 9.622 27 H LYS 4 H LYS 4 20.355 -6.610 10.206 28 HA LYS 4 HA LYS 4 20.566 -3.856 11.334 29 HB2 LYS 4 HB2 LYS 4 22.212 -5.349 9.260 30 HB3 LYS 4 HB3 LYS 4 22.577 -3.731 9.842 31 HG2 LYS 4 HG2 LYS 4 22.507 -6.222 11.612 32 HG3 LYS 4 HG3 LYS 4 23.954 -5.622 10.835 33 HD2 LYS 4 HD2 LYS 4 22.297 -3.982 12.805 34 HD3 LYS 4 HD3 LYS 4 23.662 -4.988 13.271 35 HE2 LYS 4 HE2 LYS 4 23.875 -2.698 11.268 36 HE3 LYS 4 HE3 LYS 4 24.165 -2.525 12.999 37 HZ1 LYS 4 HZ1 LYS 4 26.239 -2.915 11.818 38 HZ2 LYS 4 HZ2 LYS 4 25.708 -4.330 11.209 39 HZ3 LYS 4 HZ3 LYS 4 25.953 -4.170 12.816 40 H TYR 5 H TYR 5 19.962 -2.072 10.274 41 HA TYR 5 HA TYR 5 19.083 -2.183 7.438 42 HB2 TYR 5 HB2 TYR 5 17.479 -0.849 9.642 43 HB3 TYR 5 HB3 TYR 5 17.083 -0.865 7.941 44 HD1 TYR 5 HD1 TYR 5 17.319 -2.967 10.992 45 HD2 TYR 5 HD2 TYR 5 15.793 -2.700 6.950 46 HE1 TYR 5 HE1 TYR 5 15.677 -4.756 11.494 47 HE2 TYR 5 HE2 TYR 5 14.102 -4.441 7.503 48 HH TYR 5 HH TYR 5 13.908 -5.970 10.719 49 H LYS 6 H LYS 6 18.836 -0.093 6.489 50 HA LYS 6 HA LYS 6 20.875 1.898 7.314 51 HB2 LYS 6 HB2 LYS 6 19.225 1.530 4.782 52 HB3 LYS 6 HB3 LYS 6 20.560 2.669 4.957 53 HG2 LYS 6 HG2 LYS 6 22.199 0.999 4.895 54 HG3 LYS 6 HG3 LYS 6 21.124 -0.258 5.496 55 HD2 LYS 6 HD2 LYS 6 21.596 -0.719 3.203 56 HD3 LYS 6 HD3 LYS 6 19.887 -0.320 3.402 57 HE2 LYS 6 HE2 LYS 6 20.321 1.978 2.548 58 HE3 LYS 6 HE3 LYS 6 22.054 1.640 2.475 59 HZ1 LYS 6 HZ1 LYS 6 19.996 0.248 0.840 60 HZ2 LYS 6 HZ2 LYS 6 21.603 -0.044 0.780 61 HZ3 LYS 6 HZ3 LYS 6 21.019 1.397 0.295 62 H LEU 7 H LEU 7 20.478 4.145 7.104 63 HA LEU 7 HA LEU 7 17.813 5.088 8.036 64 HB2 LEU 7 HB2 LEU 7 20.637 5.930 8.405 65 HB3 LEU 7 HB3 LEU 7 19.578 7.261 8.020 66 HG LEU 7 HG LEU 7 19.877 6.964 10.419 67 HD11 LEU 7 HD11 LEU 7 17.809 7.995 9.535 68 HD12 LEU 7 HD12 LEU 7 17.570 7.186 11.094 69 HD13 LEU 7 HD13 LEU 7 16.995 6.412 9.604 70 HD21 LEU 7 HD21 LEU 7 18.344 4.345 10.158 71 HD22 LEU 7 HD22 LEU 7 18.881 5.130 11.655 72 HD23 LEU 7 HD23 LEU 7 20.080 4.501 10.512 73 H LYS 8 H LYS 8 16.418 5.490 6.535 74 HA LYS 8 HA LYS 8 17.092 7.391 4.336 75 HB2 LYS 8 HB2 LYS 8 17.085 5.143 3.387 76 HB3 LYS 8 HB3 LYS 8 15.525 4.792 4.121 77 HG2 LYS 8 HG2 LYS 8 15.206 5.219 1.788 78 HG3 LYS 8 HG3 LYS 8 14.455 6.530 2.692 79 HD2 LYS 8 HD2 LYS 8 16.379 8.008 2.201 80 HD3 LYS 8 HD3 LYS 8 17.202 6.670 1.367 81 HE2 LYS 8 HE2 LYS 8 15.304 6.534 -0.245 82 HE3 LYS 8 HE3 LYS 8 14.508 7.880 0.581 83 HZ1 LYS 8 HZ1 LYS 8 15.749 8.634 -1.368 84 HZ2 LYS 8 HZ2 LYS 8 17.149 8.041 -0.778 85 HZ3 LYS 8 HZ3 LYS 8 16.405 9.288 -0.025 86 H LYS 9 H LYS 9 15.981 9.157 4.685 87 HA LYS 9 HA LYS 9 13.081 9.005 5.520 88 HB2 LYS 9 HB2 LYS 9 15.079 11.194 6.210 89 HB3 LYS 9 HB3 LYS 9 13.379 11.170 6.668 90 HG2 LYS 9 HG2 LYS 9 15.453 9.125 7.595 91 HG3 LYS 9 HG3 LYS 9 14.964 10.555 8.495 92 HD2 LYS 9 HD2 LYS 9 12.702 9.733 8.774 93 HD3 LYS 9 HD3 LYS 9 12.982 8.399 7.653 94 HE2 LYS 9 HE2 LYS 9 13.023 7.564 9.921 95 HE3 LYS 9 HE3 LYS 9 14.596 7.364 9.153 96 HZ1 LYS 9 HZ1 LYS 9 15.396 9.303 10.378 97 HZ2 LYS 9 HZ2 LYS 9 14.784 8.223 11.434 98 HZ3 LYS 9 HZ3 LYS 9 13.928 9.563 11.045 99 H SER 10 H SER 10 11.625 10.415 4.624 100 HA SER 10 HA SER 10 12.468 12.370 2.602 101 HB2 SER 10 HB2 SER 10 12.162 10.066 1.438 102 HB3 SER 10 HB3 SER 10 10.428 10.283 1.761 103 HG SER 10 HG SER 10 10.873 11.208 -0.241 104 H THR 11 H THR 11 10.444 13.488 1.682 105 HA THR 11 HA THR 11 8.129 13.457 3.497 106 HB THR 11 HB THR 11 9.342 16.158 2.881 107 HG1 THR 11 HG1 THR 11 10.782 15.078 4.243 108 HG21 THR 11 HG21 THR 11 7.361 15.105 4.950 109 HG22 THR 11 HG22 THR 11 6.904 15.923 3.441 110 HG23 THR 11 HG23 THR 11 7.798 16.817 4.693 111 H ASN 12 H ASN 12 6.577 12.969 2.108 112 HA ASN 12 HA ASN 12 5.831 14.594 -0.152 113 HB2 ASN 12 HB2 ASN 12 6.315 12.815 -1.932 114 HB3 ASN 12 HB3 ASN 12 7.674 13.709 -1.311 115 HD21 ASN 12 HD21 ASN 12 6.137 10.821 0.313 116 HD22 ASN 12 HD22 ASN 12 7.617 9.905 0.085 117 H LYS 13 H LYS 13 4.152 13.486 -1.524 118 HA LYS 13 HA LYS 13 2.049 12.162 -0.083 119 HB2 LYS 13 HB2 LYS 13 1.142 11.808 -2.471 120 HB3 LYS 13 HB3 LYS 13 1.315 13.424 -1.854 121 HG2 LYS 13 HG2 LYS 13 3.701 12.512 -3.369 122 HG3 LYS 13 HG3 LYS 13 2.208 12.502 -4.302 123 HD2 LYS 13 HD2 LYS 13 1.720 14.818 -3.665 124 HD3 LYS 13 HD3 LYS 13 3.209 14.901 -2.712 125 HE2 LYS 13 HE2 LYS 13 4.541 14.421 -4.781 126 HE3 LYS 13 HE3 LYS 13 3.044 14.369 -5.720 127 HZ1 LYS 13 HZ1 LYS 13 4.106 16.545 -5.876 128 HZ2 LYS 13 HZ2 LYS 13 4.059 16.756 -4.260 129 HZ3 LYS 13 HZ3 LYS 13 2.669 16.708 -5.120 130 H PHE 14 H PHE 14 0.998 10.222 -1.087 131 HA PHE 14 HA PHE 14 2.806 7.987 -1.750 132 HB2 PHE 14 HB2 PHE 14 1.633 6.542 -0.027 133 HB3 PHE 14 HB3 PHE 14 2.783 7.709 0.596 134 HD1 PHE 14 HD1 PHE 14 -0.921 7.206 0.056 135 HD2 PHE 14 HD2 PHE 14 2.163 9.238 2.287 136 HE1 PHE 14 HE1 PHE 14 -2.646 8.269 1.490 137 HE2 PHE 14 HE2 PHE 14 0.423 10.253 3.742 138 HZ PHE 14 HZ PHE 14 -1.969 9.886 3.263 139 H CYS 15 H CYS 15 1.737 6.236 -2.675 140 HA CYS 15 HA CYS 15 -1.030 6.776 -3.708 141 HB2 CYS 15 HB2 CYS 15 0.797 6.805 -5.426 142 HB3 CYS 15 HB3 CYS 15 1.109 5.117 -5.079 143 H VAL 16 H VAL 16 -2.434 5.162 -3.872 144 HA VAL 16 HA VAL 16 -2.052 2.522 -2.551 145 HB VAL 16 HB VAL 16 -3.945 2.906 -0.979 146 HG11 VAL 16 HG11 VAL 16 -1.570 4.692 -0.417 147 HG12 VAL 16 HG12 VAL 16 -2.768 4.102 0.747 148 HG13 VAL 16 HG13 VAL 16 -1.718 2.947 -0.083 149 HG21 VAL 16 HG21 VAL 16 -4.703 5.094 -0.385 150 HG22 VAL 16 HG22 VAL 16 -3.509 5.880 -1.439 151 HG23 VAL 16 HG23 VAL 16 -4.842 4.956 -2.151 152 H THR 17 H THR 17 -4.366 1.376 -2.424 153 HA THR 17 HA THR 17 -5.989 2.069 -4.866 154 HB THR 17 HB THR 17 -5.712 -0.716 -3.728 155 HG1 THR 17 HG1 THR 17 -4.186 0.433 -5.835 156 HG21 THR 17 HG21 THR 17 -7.575 -0.314 -5.305 157 HG22 THR 17 HG22 THR 17 -6.378 -1.475 -5.901 158 HG23 THR 17 HG23 THR 17 -6.374 0.174 -6.536 159 H CYS 18 H CYS 18 -8.057 2.680 -4.424 160 HA CYS 18 HA CYS 18 -9.259 2.135 -1.793 161 HB2 CYS 18 HB2 CYS 18 -9.373 4.367 -3.019 162 HB3 CYS 18 HB3 CYS 18 -10.484 3.583 -4.132 163 H GLU 19 H GLU 19 -10.726 0.640 -1.432 164 HA GLU 19 HA GLU 19 -12.313 -0.551 -3.637 165 HB2 GLU 19 HB2 GLU 19 -10.234 -1.959 -3.109 166 HB3 GLU 19 HB3 GLU 19 -10.978 -2.281 -1.533 167 HG2 GLU 19 HG2 GLU 19 -13.022 -3.120 -2.763 168 HG3 GLU 19 HG3 GLU 19 -12.125 -2.951 -4.273 169 H ASN 20 H ASN 20 -14.286 -0.016 -3.080 170 HA ASN 20 HA ASN 20 -16.190 0.446 -1.930 171 HB2 ASN 20 HB2 ASN 20 -15.169 -1.690 -0.027 172 HB3 ASN 20 HB3 ASN 20 -16.728 -0.898 0.129 173 HD21 ASN 20 HD21 ASN 20 -14.826 -2.691 -2.406 174 HD22 ASN 20 HD22 ASN 20 -16.275 -3.485 -3.011 175 H GLN 21 H GLN 21 -14.599 2.384 -1.844 176 HA GLN 21 HA GLN 21 -14.322 4.449 -0.961 177 HB2 GLN 21 HB2 GLN 21 -16.321 3.667 1.183 178 HB3 GLN 21 HB3 GLN 21 -15.882 5.283 0.636 179 HG2 GLN 21 HG2 GLN 21 -17.759 5.104 -0.613 180 HG3 GLN 21 HG3 GLN 21 -16.695 4.250 -1.731 181 HE21 GLN 21 HE21 GLN 21 -17.776 2.453 -2.516 182 HE22 GLN 21 HE22 GLN 21 -18.868 1.486 -1.520 183 H ALA 22 H ALA 22 -12.389 2.479 -0.062 184 HA ALA 22 HA ALA 22 -11.179 3.858 2.123 185 HB1 ALA 22 HB1 ALA 22 -11.206 1.986 3.724 186 HB2 ALA 22 HB2 ALA 22 -12.853 2.508 3.374 187 HB3 ALA 22 HB3 ALA 22 -12.230 1.033 2.606 188 HA PRO 23 HA PRO 23 -7.936 1.894 -0.268 189 HB2 PRO 23 HB2 PRO 23 -5.740 2.971 0.870 190 HB3 PRO 23 HB3 PRO 23 -6.943 3.897 -0.110 191 HG2 PRO 23 HG2 PRO 23 -6.848 3.676 2.914 192 HG3 PRO 23 HG3 PRO 23 -6.896 5.161 1.916 193 HD2 PRO 23 HD2 PRO 23 -9.149 4.012 2.964 194 HD3 PRO 23 HD3 PRO 23 -9.152 4.812 1.358 195 H VAL 24 H VAL 24 -7.873 -0.210 -0.062 196 HA VAL 24 HA VAL 24 -6.754 -1.517 2.365 197 HB VAL 24 HB VAL 24 -7.967 -3.472 1.875 198 HG11 VAL 24 HG11 VAL 24 -10.003 -1.343 1.144 199 HG12 VAL 24 HG12 VAL 24 -10.195 -2.791 2.154 200 HG13 VAL 24 HG13 VAL 24 -9.264 -1.394 2.738 201 HG21 VAL 24 HG21 VAL 24 -9.459 -3.737 -0.073 202 HG22 VAL 24 HG22 VAL 24 -8.814 -2.226 -0.775 203 HG23 VAL 24 HG23 VAL 24 -7.772 -3.641 -0.564 204 H HIS 25 H HIS 25 -5.208 -0.338 -0.090 205 HA HIS 25 HA HIS 25 -3.309 -2.582 -0.146 206 HB2 HIS 25 HB2 HIS 25 -5.066 -2.716 -2.187 207 HB3 HIS 25 HB3 HIS 25 -4.031 -1.468 -2.840 208 HD1 HIS 25 HD1 HIS 25 -1.304 -2.198 -3.156 209 HD2 HIS 25 HD2 HIS 25 -4.331 -5.148 -2.828 210 HE1 HIS 25 HE1 HIS 25 -0.362 -4.331 -4.187 211 HE2 HIS 25 HE2 HIS 25 -2.122 -6.126 -3.992 212 H PHE 26 H PHE 26 -1.210 -1.817 -0.308 213 HA PHE 26 HA PHE 26 -0.780 1.095 -0.657 214 HB2 PHE 26 HB2 PHE 26 0.394 -0.160 1.155 215 HB3 PHE 26 HB3 PHE 26 1.126 -1.204 -0.050 216 HD1 PHE 26 HD1 PHE 26 0.718 2.565 0.265 217 HD2 PHE 26 HD2 PHE 26 3.432 -0.776 -0.180 218 HE1 PHE 26 HE1 PHE 26 2.611 4.127 0.007 219 HE2 PHE 26 HE2 PHE 26 5.314 0.801 -0.441 220 HZ PHE 26 HZ PHE 26 4.904 3.253 -0.359 221 H VAL 27 H VAL 27 0.390 2.021 -2.377 222 HA VAL 27 HA VAL 27 1.132 0.173 -4.646 223 HB VAL 27 HB VAL 27 -0.012 2.960 -4.855 224 HG11 VAL 27 HG11 VAL 27 0.039 2.566 -7.305 225 HG12 VAL 27 HG12 VAL 27 1.654 2.657 -6.597 226 HG13 VAL 27 HG13 VAL 27 0.966 1.076 -7.031 227 HG21 VAL 27 HG21 VAL 27 -1.704 1.164 -4.416 228 HG22 VAL 27 HG22 VAL 27 -1.867 1.914 -6.006 229 HG23 VAL 27 HG23 VAL 27 -1.114 0.308 -5.852 230 H GLY 28 H GLY 28 2.008 3.431 -3.247 231 HA2 GLY 28 HA2 GLY 28 4.821 2.950 -3.536 232 HA3 GLY 28 HA3 GLY 28 4.213 3.786 -4.970 233 H VAL 29 H VAL 29 5.920 5.228 -4.099 234 HA VAL 29 HA VAL 29 4.896 7.222 -2.111 235 HB VAL 29 HB VAL 29 7.787 6.297 -2.382 236 HG11 VAL 29 HG11 VAL 29 7.628 8.593 -1.632 237 HG12 VAL 29 HG12 VAL 29 6.371 8.147 -0.444 238 HG13 VAL 29 HG13 VAL 29 8.050 7.572 -0.252 239 HG21 VAL 29 HG21 VAL 29 7.453 5.332 -0.101 240 HG22 VAL 29 HG22 VAL 29 5.707 5.641 -0.255 241 HG23 VAL 29 HG23 VAL 29 6.533 4.493 -1.345 242 H GLY 30 H GLY 30 4.736 9.217 -2.936 243 HA2 GLY 30 HA2 GLY 30 4.943 11.011 -4.379 244 HA3 GLY 30 HA3 GLY 30 6.580 10.465 -4.713 245 H SER 31 H SER 31 4.395 8.038 -5.572 246 HA SER 31 HA SER 31 3.536 8.835 -8.190 247 HB2 SER 31 HB2 SER 31 4.966 7.403 -9.538 248 HB3 SER 31 HB3 SER 31 5.957 8.588 -8.683 249 HG SER 31 HG SER 31 6.866 6.496 -8.559 250 H CYS 32 H CYS 32 2.568 6.959 -9.369 251 HA CYS 32 HA CYS 32 1.692 4.728 -7.585 252 HB2 CYS 32 HB2 CYS 32 0.353 5.976 -10.001 253 HB3 CYS 32 HB3 CYS 32 -0.218 4.544 -9.160 254 H GLY 33 H GLY 33 2.904 2.958 -7.991 255 HA2 GLY 33 HA2 GLY 33 4.127 2.352 -10.583 256 HA3 GLY 33 HA3 GLY 33 4.108 1.327 -9.144 257 H SER 34 H SER 34 3.703 0.359 -11.748 258 HA SER 34 HA SER 34 1.149 -1.045 -11.417 259 HB2 SER 34 HB2 SER 34 0.701 1.054 -12.792 260 HB3 SER 34 HB3 SER 34 1.750 0.365 -14.043 261 HG SER 34 HG SER 34 -0.530 -0.106 -14.311 262 H GLY 35 H GLY 35 0.967 -2.623 -13.430 263 HA2 GLY 35 HA2 GLY 35 3.352 -3.631 -14.663 264 HA3 GLY 35 HA3 GLY 35 2.980 -4.602 -13.232 265 H GLY 36 H GLY 36 3.044 -5.930 -15.461 266 HA2 GLY 36 HA2 GLY 36 0.219 -6.457 -16.341 267 HA3 GLY 36 HA3 GLY 36 1.578 -6.407 -17.459 268 H SER 37 H SER 37 2.137 -7.860 -14.376 269 HA SER 37 HA SER 37 2.060 -10.629 -15.543 270 HB2 SER 37 HB2 SER 37 4.178 -9.417 -13.728 271 HB3 SER 37 HB3 SER 37 4.113 -11.110 -14.254 272 HG SER 37 HG SER 37 5.511 -9.825 -15.565 273 H GLY 38 H GLY 38 1.844 -12.366 -14.053 274 HA2 GLY 38 HA2 GLY 38 -0.211 -11.874 -12.065 275 HA3 GLY 38 HA3 GLY 38 0.409 -13.437 -12.596 276 H ILE 39 H ILE 39 1.883 -10.648 -10.961 277 HA ILE 39 HA ILE 39 3.495 -12.298 -9.181 278 HB ILE 39 HB ILE 39 2.992 -9.304 -9.248 279 HG12 ILE 39 HG12 ILE 39 4.014 -10.105 -11.296 280 HG13 ILE 39 HG13 ILE 39 5.141 -9.133 -10.362 281 HG21 ILE 39 HG21 ILE 39 5.129 -9.094 -7.966 282 HG22 ILE 39 HG22 ILE 39 3.806 -9.784 -7.035 283 HG23 ILE 39 HG23 ILE 39 5.093 -10.842 -7.671 284 HD11 ILE 39 HD11 ILE 39 6.314 -11.217 -9.625 285 HD12 ILE 39 HD12 ILE 39 5.187 -12.175 -10.619 286 HD13 ILE 39 HD13 ILE 39 6.289 -11.025 -11.383 287 H PHE 40 H PHE 40 3.352 -12.624 -7.141 288 HA PHE 40 HA PHE 40 0.970 -11.795 -5.524 289 HB2 PHE 40 HB2 PHE 40 0.343 -13.985 -4.984 290 HB3 PHE 40 HB3 PHE 40 0.546 -13.964 -6.723 291 HD1 PHE 40 HD2 PHE 40 2.658 -15.012 -7.746 292 HD2 PHE 40 HD1 PHE 40 1.593 -15.475 -3.589 293 HE1 PHE 40 HE2 PHE 40 4.208 -16.944 -7.557 294 HE2 PHE 40 HE1 PHE 40 3.129 -17.415 -3.412 295 HZ PHE 40 HZ PHE 40 4.445 -18.149 -5.393 296 H LEU 41 H LEU 41 4.193 -11.695 -5.517 297 HA LEU 41 HA LEU 41 4.959 -12.710 -2.930 298 HB2 LEU 41 HB2 LEU 41 6.184 -10.747 -4.910 299 HB3 LEU 41 HB3 LEU 41 6.913 -11.027 -3.348 300 HG LEU 41 HG LEU 41 8.036 -12.288 -5.055 301 HD11 LEU 41 HD11 LEU 41 8.148 -14.435 -3.974 302 HD12 LEU 41 HD12 LEU 41 6.560 -14.209 -3.218 303 HD13 LEU 41 HD13 LEU 41 7.933 -13.183 -2.741 304 HD21 LEU 41 HD21 LEU 41 6.161 -12.730 -6.610 305 HD22 LEU 41 HD22 LEU 41 5.517 -13.939 -5.463 306 HD23 LEU 41 HD23 LEU 41 7.098 -14.177 -6.221 307 H GLU 42 H GLU 42 3.360 -9.798 -3.867 308 HA GLU 42 HA GLU 42 3.824 -8.210 -1.484 309 HB2 GLU 42 HB2 GLU 42 1.911 -6.900 -2.272 310 HB3 GLU 42 HB3 GLU 42 3.046 -7.226 -3.587 311 HG2 GLU 42 HG2 GLU 42 1.548 -9.075 -4.390 312 HG3 GLU 42 HG3 GLU 42 0.449 -8.721 -3.051 313 H THR 43 H THR 43 2.192 -7.707 0.155 314 HA THR 43 HA THR 43 0.959 -9.949 1.437 315 HB THR 43 HB THR 43 0.384 -6.988 1.738 316 HG1 THR 43 HG1 THR 43 2.284 -8.625 3.067 317 HG21 THR 43 HG21 THR 43 -0.083 -7.567 4.134 318 HG22 THR 43 HG22 THR 43 0.046 -9.291 3.721 319 HG23 THR 43 HG23 THR 43 -1.251 -8.292 3.025 320 H SER 44 H SER 44 -0.266 -7.645 -0.888 321 HA SER 44 HA SER 44 -2.299 -6.999 -1.622 322 HB2 SER 44 HB2 SER 44 -1.764 -9.076 -2.937 323 HB3 SER 44 HB3 SER 44 -2.918 -9.942 -1.911 324 HG SER 44 HG SER 44 -3.860 -9.035 -3.848 325 H LEU 45 H LEU 45 -2.774 -6.173 0.551 326 HA LEU 45 HA LEU 45 -4.556 -7.423 2.338 327 HB2 LEU 45 HB2 LEU 45 -3.900 -4.517 1.764 328 HB3 LEU 45 HB3 LEU 45 -5.079 -4.969 2.980 329 HG LEU 45 HG LEU 45 -3.011 -6.534 3.795 330 HD11 LEU 45 HD11 LEU 45 -1.681 -4.090 2.521 331 HD12 LEU 45 HD12 LEU 45 -1.472 -5.767 1.985 332 HD13 LEU 45 HD13 LEU 45 -0.894 -5.273 3.581 333 HD21 LEU 45 HD21 LEU 45 -2.427 -4.675 5.351 334 HD22 LEU 45 HD22 LEU 45 -4.179 -4.820 5.156 335 HD23 LEU 45 HD23 LEU 45 -3.295 -3.548 4.285 336 H SER 46 H SER 46 -5.324 -6.282 -0.757 337 HA SER 46 HA SER 46 -8.157 -5.829 -0.625 338 HB2 SER 46 HB2 SER 46 -6.856 -5.337 -2.620 339 HB3 SER 46 HB3 SER 46 -6.373 -7.034 -2.768 340 HG SER 46 HG SER 46 -8.954 -5.889 -3.182 341 H ALA 47 H ALA 47 -6.294 -8.847 -0.501 342 HA ALA 47 HA ALA 47 -8.836 -10.400 -0.226 343 HB1 ALA 47 HB1 ALA 47 -7.791 -10.862 -2.372 344 HB2 ALA 47 HB2 ALA 47 -6.256 -11.267 -1.564 345 HB3 ALA 47 HB3 ALA 47 -7.703 -12.268 -1.289 346 H GLY 48 H GLY 48 -9.080 -10.775 1.809 347 HA2 GLY 48 HA2 GLY 48 -8.728 -12.029 3.783 348 HA3 GLY 48 HA3 GLY 48 -7.024 -12.206 3.394 349 H SER 49 H SER 49 -7.803 -8.907 3.103 350 HA SER 49 HA SER 49 -7.587 -8.262 5.970 351 HB2 SER 49 HB2 SER 49 -5.360 -8.056 4.194 352 HB3 SER 49 HB3 SER 49 -5.926 -6.407 4.504 353 HG SER 49 HG SER 49 -5.680 -6.761 6.705 354 H ASP 50 H ASP 50 -7.376 -5.508 5.697 355 HA ASP 50 HA ASP 50 -9.436 -4.442 4.016 356 HB2 ASP 50 HB2 ASP 50 -10.894 -3.720 5.933 357 HB3 ASP 50 HB3 ASP 50 -10.921 -5.435 5.589 358 H TRP 51 H TRP 51 -9.833 -2.159 4.734 359 HA TRP 51 HA TRP 51 -7.492 -0.575 4.913 360 HB2 TRP 51 HB2 TRP 51 -9.137 0.658 4.034 361 HB3 TRP 51 HB3 TRP 51 -10.410 -0.138 4.914 362 HD1 TRP 51 HD1 TRP 51 -11.397 1.088 6.971 363 HE1 TRP 51 HE1 TRP 51 -10.953 3.351 8.118 364 HE3 TRP 51 HE3 TRP 51 -6.921 2.242 4.795 365 HZ2 TRP 51 HZ2 TRP 51 -8.923 5.394 8.083 366 HZ3 TRP 51 HZ3 TRP 51 -5.707 4.315 5.423 367 HH2 TRP 51 HH2 TRP 51 -6.710 5.918 7.023 368 H LEU 52 H LEU 52 -9.553 -1.789 7.507 369 HA LEU 52 HA LEU 52 -8.579 -0.162 9.635 370 HB2 LEU 52 HB2 LEU 52 -10.558 -2.082 9.306 371 HB3 LEU 52 HB3 LEU 52 -9.407 -2.944 10.296 372 HG LEU 52 HG LEU 52 -11.115 -1.906 11.634 373 HD11 LEU 52 HD11 LEU 52 -8.535 -0.342 12.054 374 HD12 LEU 52 HD12 LEU 52 -8.833 -2.006 12.608 375 HD13 LEU 52 HD13 LEU 52 -9.799 -0.668 13.256 376 HD21 LEU 52 HD21 LEU 52 -11.516 0.458 11.801 377 HD22 LEU 52 HD22 LEU 52 -11.713 -0.049 10.116 378 HD23 LEU 52 HD23 LEU 52 -10.249 0.826 10.620 379 H THR 53 H THR 53 -7.576 -3.374 8.528 380 HA THR 53 HA THR 53 -5.217 -3.519 10.244 381 HB THR 53 HB THR 53 -4.624 -5.491 8.784 382 HG1 THR 53 HG1 THR 53 -7.262 -5.050 7.820 383 HG21 THR 53 HG21 THR 53 -7.369 -5.516 10.089 384 HG22 THR 53 HG22 THR 53 -5.811 -5.751 10.920 385 HG23 THR 53 HG23 THR 53 -6.362 -6.932 9.717 386 H PHE 54 H PHE 54 -5.732 -2.424 6.903 387 HA PHE 54 HA PHE 54 -3.064 -2.247 6.012 388 HB2 PHE 54 HB2 PHE 54 -4.899 -1.816 4.508 389 HB3 PHE 54 HB3 PHE 54 -5.494 -0.520 5.524 390 HD1 PHE 54 HD2 PHE 54 -4.613 1.710 5.500 391 HD2 PHE 54 HD1 PHE 54 -2.973 -1.378 2.979 392 HE1 PHE 54 HE2 PHE 54 -3.365 3.432 4.209 393 HE2 PHE 54 HE1 PHE 54 -1.730 0.361 1.698 394 HZ PHE 54 HZ PHE 54 -1.894 2.749 2.342 395 H GLN 55 H GLN 55 -4.797 0.077 8.045 396 HA GLN 55 HA GLN 55 -2.690 2.010 8.297 397 HB2 GLN 55 HB2 GLN 55 -4.917 1.189 10.199 398 HB3 GLN 55 HB3 GLN 55 -3.861 2.578 10.477 399 HG2 GLN 55 HG2 GLN 55 -4.732 3.790 8.659 400 HG3 GLN 55 HG3 GLN 55 -5.378 2.349 7.865 401 HE21 GLN 55 HE21 GLN 55 -7.344 1.456 8.509 402 HE22 GLN 55 HE22 GLN 55 -8.413 2.346 9.585 403 H LYS 56 H LYS 56 -3.654 -0.527 10.606 404 HA LYS 56 HA LYS 56 -1.358 -0.298 12.303 405 HB2 LYS 56 HB2 LYS 56 -3.066 -2.788 11.908 406 HB3 LYS 56 HB3 LYS 56 -2.043 -2.422 13.296 407 HG2 LYS 56 HG2 LYS 56 -4.597 -0.979 12.476 408 HG3 LYS 56 HG3 LYS 56 -4.347 -2.022 13.874 409 HD2 LYS 56 HD2 LYS 56 -2.695 -0.355 14.782 410 HD3 LYS 56 HD3 LYS 56 -3.076 0.713 13.411 411 HE2 LYS 56 HE2 LYS 56 -5.480 0.697 14.095 412 HE3 LYS 56 HE3 LYS 56 -5.057 -0.297 15.496 413 HZ1 LYS 56 HZ1 LYS 56 -5.162 2.052 16.090 414 HZ2 LYS 56 HZ2 LYS 56 -4.038 2.451 14.978 415 HZ3 LYS 56 HZ3 LYS 56 -3.627 1.531 16.268 416 H LYS 57 H LYS 57 -1.574 -1.989 9.309 417 HA LYS 57 HA LYS 57 0.760 -3.641 9.512 418 HB2 LYS 57 HB2 LYS 57 -1.119 -3.743 7.784 419 HB3 LYS 57 HB3 LYS 57 -0.389 -2.364 7.003 420 HG2 LYS 57 HG2 LYS 57 0.729 -3.859 5.771 421 HG3 LYS 57 HG3 LYS 57 1.786 -4.087 7.161 422 HD2 LYS 57 HD2 LYS 57 -0.720 -5.711 6.518 423 HD3 LYS 57 HD3 LYS 57 0.942 -6.214 6.181 424 HE2 LYS 57 HE2 LYS 57 1.453 -6.198 8.605 425 HE3 LYS 57 HE3 LYS 57 -0.199 -5.667 8.957 426 HZ1 LYS 57 HZ1 LYS 57 0.509 -8.242 7.651 427 HZ2 LYS 57 HZ2 LYS 57 -1.014 -7.747 7.985 428 HZ3 LYS 57 HZ3 LYS 57 0.026 -8.075 9.199 429 H HIS 58 H HIS 58 0.544 -0.348 7.972 430 HA HIS 58 HA HIS 58 3.437 0.046 8.600 431 HB2 HIS 58 HB2 HIS 58 4.108 0.324 6.369 432 HB3 HIS 58 HB3 HIS 58 3.217 -1.191 6.401 433 HD1 HIS 58 HD1 HIS 58 3.320 2.090 4.719 434 HD2 HIS 58 HD2 HIS 58 0.426 -0.869 5.565 435 HE1 HIS 58 HE1 HIS 58 1.220 2.626 3.262 436 HE2 HIS 58 HE2 HIS 58 -0.529 0.818 3.830 437 H ILE 59 H ILE 59 0.938 1.439 9.400 438 HA ILE 59 HA ILE 59 1.795 4.231 8.716 439 HB ILE 59 HB ILE 59 -1.114 3.401 8.995 440 HG12 ILE 59 HG12 ILE 59 0.652 3.813 6.572 441 HG13 ILE 59 HG13 ILE 59 -0.465 2.503 6.915 442 HG21 ILE 59 HG21 ILE 59 0.091 6.071 8.186 443 HG22 ILE 59 HG22 ILE 59 -1.639 5.690 8.317 444 HG23 ILE 59 HG23 ILE 59 -0.670 5.722 9.756 445 HD11 ILE 59 HD11 ILE 59 -1.301 3.880 5.115 446 HD12 ILE 59 HD12 ILE 59 -2.379 4.065 6.523 447 HD13 ILE 59 HD13 ILE 59 -1.206 5.342 6.093 448 H THR 60 H THR 60 1.649 5.712 10.363 449 HA THR 60 HA THR 60 0.625 4.822 13.009 450 HB THR 60 HB THR 60 2.926 4.077 13.080 451 HG1 THR 60 HG1 THR 60 3.495 5.308 14.940 452 HG21 THR 60 HG21 THR 60 3.755 6.988 12.685 453 HG22 THR 60 HG22 THR 60 3.996 5.680 11.505 454 HG23 THR 60 HG23 THR 60 4.814 5.612 13.068 455 H ASN 61 H ASN 61 0.264 6.416 14.539 456 HA ASN 61 HA ASN 61 -0.181 9.163 13.553 457 HB2 ASN 61 HB2 ASN 61 -1.432 9.396 15.637 458 HB3 ASN 61 HB3 ASN 61 -2.020 8.030 14.708 459 HD21 ASN 61 HD21 ASN 61 -1.975 5.954 15.695 460 HD22 ASN 61 HD22 ASN 61 -1.315 5.729 17.310 461 H THR 62 H THR 62 2.377 7.463 14.873 462 HA THR 62 HA THR 62 3.888 9.866 15.443 463 HB THR 62 HB THR 62 2.827 9.722 17.581 464 HG1 THR 62 HG1 THR 62 4.694 9.506 18.839 465 HG21 THR 62 HG21 THR 62 2.923 7.910 19.120 466 HG22 THR 62 HG22 THR 62 3.960 6.941 18.064 467 HG23 THR 62 HG23 THR 62 2.271 7.245 17.613 468 H ARG 63 H ARG 63 5.641 9.400 14.195 469 HA ARG 63 HA ARG 63 6.697 6.707 13.867 470 HB2 ARG 63 HB2 ARG 63 7.012 8.460 12.116 471 HB3 ARG 63 HB3 ARG 63 8.037 9.367 13.245 472 HG2 ARG 63 HG2 ARG 63 9.470 7.183 13.369 473 HG3 ARG 63 HG3 ARG 63 8.460 6.598 12.042 474 HD2 ARG 63 HD2 ARG 63 10.498 7.474 11.136 475 HD3 ARG 63 HD3 ARG 63 9.154 8.537 10.689 476 HE ARG 63 HE ARG 63 10.126 10.270 11.876 477 HH11 ARG 63 HH11 ARG 63 11.739 7.367 13.046 478 HH12 ARG 63 HH12 ARG 63 12.795 8.285 14.067 479 HH21 ARG 63 HH21 ARG 63 11.520 11.351 13.179 480 HH22 ARG 63 HH22 ARG 63 12.700 10.484 14.107 481 H ASP 64 H ASP 64 7.311 5.722 15.651 482 HA ASP 64 HA ASP 64 9.434 6.950 17.367 483 HB2 ASP 64 HB2 ASP 64 6.995 6.031 18.154 484 HB3 ASP 64 HB3 ASP 64 7.920 4.550 18.308 485 H VAL 65 H VAL 65 9.378 5.046 14.792 486 HA VAL 65 HA VAL 65 10.818 2.690 15.684 487 HB VAL 65 HB VAL 65 9.270 2.633 13.803 488 HG11 VAL 65 HG11 VAL 65 9.706 4.799 12.736 489 HG12 VAL 65 HG12 VAL 65 11.324 4.255 12.237 490 HG13 VAL 65 HG13 VAL 65 9.876 3.475 11.587 491 HG21 VAL 65 HG21 VAL 65 10.478 1.135 12.452 492 HG22 VAL 65 HG22 VAL 65 12.019 1.954 12.743 493 HG23 VAL 65 HG23 VAL 65 11.220 1.023 14.044 494 H ASP 66 H ASP 66 12.884 2.104 15.427 495 HA ASP 66 HA ASP 66 14.912 4.004 14.312 496 HB2 ASP 66 HB2 ASP 66 14.735 3.946 16.858 497 HB3 ASP 66 HB3 ASP 66 15.275 2.268 16.774 498 H CYS 67 H CYS 67 13.516 1.154 13.720 499 HA CYS 67 HA CYS 67 14.018 -0.956 13.036 500 HB2 CYS 67 HB2 CYS 67 15.738 0.783 11.286 501 HB3 CYS 67 HB3 CYS 67 15.407 -0.924 10.948 502 H ASP 68 H ASP 68 14.908 -0.974 15.270 503 HA ASP 68 HA ASP 68 17.187 -2.810 15.364 504 HB2 ASP 68 HB2 ASP 68 18.171 -0.503 15.645 505 HB3 ASP 68 HB3 ASP 68 17.184 -0.295 17.089 506 H ASN 69 H ASN 69 14.443 -1.205 16.985 507 HA ASN 69 HA ASN 69 14.302 -3.340 19.029 508 HB2 ASN 69 HB2 ASN 69 12.939 -1.795 20.312 509 HB3 ASN 69 HB3 ASN 69 14.537 -1.153 19.948 510 HD21 ASN 69 HD21 ASN 69 14.707 0.705 18.754 511 HD22 ASN 69 HD22 ASN 69 13.295 1.625 18.226 512 H ILE 70 H ILE 70 12.857 -2.651 16.056 513 HA ILE 70 HA ILE 70 10.113 -3.085 16.557 514 HB ILE 70 HB ILE 70 9.878 -3.483 14.191 515 HG12 ILE 70 HG12 ILE 70 12.899 -3.863 14.179 516 HG13 ILE 70 HG13 ILE 70 11.643 -4.966 13.591 517 HG21 ILE 70 HG21 ILE 70 10.253 -1.215 15.196 518 HG22 ILE 70 HG22 ILE 70 11.952 -1.320 14.680 519 HG23 ILE 70 HG23 ILE 70 10.637 -1.334 13.479 520 HD11 ILE 70 HD11 ILE 70 12.484 -2.337 12.358 521 HD12 ILE 70 HD12 ILE 70 12.722 -3.964 11.707 522 HD13 ILE 70 HD13 ILE 70 11.076 -3.284 11.816 523 H MET 71 H MET 71 12.501 -5.298 16.967 524 HA MET 71 HA MET 71 11.336 -7.831 16.371 525 HB2 MET 71 HB2 MET 71 13.660 -7.395 17.205 526 HB3 MET 71 HB3 MET 71 12.999 -7.109 18.812 527 HG2 MET 71 HG2 MET 71 13.931 -9.346 18.607 528 HG3 MET 71 HG3 MET 71 12.203 -9.437 18.914 529 HE1 MET 71 HE1 MET 71 13.219 -12.609 16.697 530 HE2 MET 71 HE2 MET 71 14.325 -11.744 17.785 531 HE3 MET 71 HE3 MET 71 12.651 -12.074 18.294 532 H SER 72 H SER 72 10.451 -5.540 18.944 533 HA SER 72 HA SER 72 8.631 -7.484 20.231 534 HB2 SER 72 HB2 SER 72 8.241 -5.749 21.872 535 HB3 SER 72 HB3 SER 72 9.972 -5.991 21.613 536 HG SER 72 HG SER 72 8.332 -3.822 20.836 537 H THR 73 H THR 73 8.323 -5.579 17.523 538 HA THR 73 HA THR 73 5.427 -4.917 17.941 539 HB THR 73 HB THR 73 5.551 -3.415 16.118 540 HG1 THR 73 HG1 THR 73 8.114 -4.519 15.655 541 HG21 THR 73 HG21 THR 73 7.244 -1.783 16.735 542 HG22 THR 73 HG22 THR 73 8.120 -2.986 17.698 543 HG23 THR 73 HG23 THR 73 6.492 -2.468 18.189 544 H ASN 74 H ASN 74 4.228 -5.035 15.629 545 HA ASN 74 HA ASN 74 4.270 -7.808 14.782 546 HB2 ASN 74 HB2 ASN 74 2.434 -7.309 13.454 547 HB3 ASN 74 HB3 ASN 74 2.239 -6.334 14.902 548 HD21 ASN 74 HD21 ASN 74 2.027 -4.036 14.624 549 HD22 ASN 74 HD22 ASN 74 2.043 -3.355 13.003 550 H LEU 75 H LEU 75 6.151 -5.121 13.793 551 HA LEU 75 HA LEU 75 6.749 -6.028 11.089 552 HB2 LEU 75 HB2 LEU 75 8.003 -3.895 12.868 553 HB3 LEU 75 HB3 LEU 75 8.383 -4.140 11.196 554 HG LEU 75 HG LEU 75 7.030 -2.339 11.112 555 HD11 LEU 75 HD11 LEU 75 6.326 -4.052 9.484 556 HD12 LEU 75 HD12 LEU 75 5.027 -2.939 9.939 557 HD13 LEU 75 HD13 LEU 75 5.048 -4.570 10.611 558 HD21 LEU 75 HD21 LEU 75 4.932 -1.950 12.220 559 HD22 LEU 75 HD22 LEU 75 6.175 -2.356 13.417 560 HD23 LEU 75 HD23 LEU 75 4.954 -3.558 12.945 561 H PHE 76 H PHE 76 7.651 -7.560 13.766 562 HA PHE 76 HA PHE 76 10.459 -7.679 13.869 563 HB2 PHE 76 HB2 PHE 76 10.152 -9.438 15.367 564 HB3 PHE 76 HB3 PHE 76 8.786 -8.369 15.628 565 HD1 PHE 76 HD1 PHE 76 6.513 -9.080 14.453 566 HD2 PHE 76 HD2 PHE 76 9.868 -11.729 14.974 567 HE1 PHE 76 HE1 PHE 76 5.013 -11.025 14.145 568 HE2 PHE 76 HE2 PHE 76 8.362 -13.685 14.674 569 HZ PHE 76 HZ PHE 76 5.932 -13.335 14.260 570 H HIS 77 H HIS 77 8.534 -8.880 11.450 571 HA HIS 77 HA HIS 77 9.478 -11.478 10.930 572 HB2 HIS 77 HB2 HIS 77 7.434 -10.088 10.039 573 HB3 HIS 77 HB3 HIS 77 8.503 -9.655 8.715 574 HD1 HIS 77 HD1 HIS 77 9.808 -12.397 8.016 575 HD2 HIS 77 HD2 HIS 77 5.795 -11.862 9.218 576 HE1 HIS 77 HE1 HIS 77 8.502 -14.463 7.153 577 HE2 HIS 77 HE2 HIS 77 6.051 -14.118 7.883 578 H CYS 78 H CYS 78 11.410 -8.819 10.735 579 HA CYS 78 HA CYS 78 13.175 -8.034 9.465 580 HB2 CYS 78 HB2 CYS 78 14.204 -9.766 10.780 581 HB3 CYS 78 HB3 CYS 78 13.888 -10.964 9.530 582 H LYS 79 H LYS 79 11.016 -8.029 7.986 583 HA LYS 79 HA LYS 79 11.403 -8.955 5.261 584 HB2 LYS 79 HB2 LYS 79 9.707 -7.115 4.738 585 HB3 LYS 79 HB3 LYS 79 9.213 -8.448 5.762 586 HG2 LYS 79 HG2 LYS 79 8.264 -6.464 6.636 587 HG3 LYS 79 HG3 LYS 79 9.449 -7.054 7.780 588 HD2 LYS 79 HD2 LYS 79 10.586 -5.098 5.879 589 HD3 LYS 79 HD3 LYS 79 9.186 -4.462 6.703 590 HE2 LYS 79 HE2 LYS 79 11.601 -5.667 8.156 591 HE3 LYS 79 HE3 LYS 79 11.436 -3.964 7.765 592 HZ1 LYS 79 HZ1 LYS 79 9.325 -3.968 9.075 593 HZ2 LYS 79 HZ2 LYS 79 10.668 -4.293 9.966 594 HZ3 LYS 79 HZ3 LYS 79 9.660 -5.503 9.583 595 H ASP 80 H ASP 80 11.910 -7.628 3.441 596 HA ASP 80 HA ASP 80 14.527 -6.586 3.664 597 HB2 ASP 80 HB2 ASP 80 12.516 -6.271 1.396 598 HB3 ASP 80 HB3 ASP 80 14.243 -5.952 1.269 599 H LYS 81 H LYS 81 11.491 -4.825 3.519 600 HA LYS 81 HA LYS 81 12.625 -2.490 4.761 601 HB2 LYS 81 HB2 LYS 81 11.898 -0.887 2.930 602 HB3 LYS 81 HB3 LYS 81 13.387 -1.791 2.643 603 HG2 LYS 81 HG2 LYS 81 12.347 -3.234 1.094 604 HG3 LYS 81 HG3 LYS 81 10.720 -2.599 1.456 605 HD2 LYS 81 HD2 LYS 81 13.026 -0.993 0.268 606 HD3 LYS 81 HD3 LYS 81 11.748 -1.717 -0.697 607 HE2 LYS 81 HE2 LYS 81 11.275 0.386 1.476 608 HE3 LYS 81 HE3 LYS 81 11.519 0.765 -0.222 609 HZ1 LYS 81 HZ1 LYS 81 9.155 0.633 0.411 610 HZ2 LYS 81 HZ2 LYS 81 9.298 -0.951 0.757 611 HZ3 LYS 81 HZ3 LYS 81 9.519 -0.435 -0.780 612 H ASN 82 H ASN 82 11.042 -0.892 5.303 613 HA ASN 82 HA ASN 82 8.188 -1.638 4.904 614 HB2 ASN 82 HB2 ASN 82 9.277 -2.312 7.258 615 HB3 ASN 82 HB3 ASN 82 9.043 -0.615 7.623 616 HD21 ASN 82 HD21 ASN 82 7.136 -0.433 8.842 617 HD22 ASN 82 HD22 ASN 82 5.720 -1.434 8.526 618 H THR 83 H THR 83 7.153 0.054 4.003 619 HA THR 83 HA THR 83 8.272 2.774 4.234 620 HB THR 83 HB THR 83 5.755 1.879 2.761 621 HG1 THR 83 HG1 THR 83 7.147 1.973 0.934 622 HG21 THR 83 HG21 THR 83 6.121 3.955 1.515 623 HG22 THR 83 HG22 THR 83 7.619 4.272 2.430 624 HG23 THR 83 HG23 THR 83 6.045 4.331 3.240 625 H PHE 84 H PHE 84 7.883 3.443 6.352 626 HA PHE 84 HA PHE 84 5.198 3.243 7.537 627 HB2 PHE 84 HB2 PHE 84 7.690 4.589 8.526 628 HB3 PHE 84 HB3 PHE 84 6.156 4.598 9.377 629 HD1 PHE 84 HD1 PHE 84 5.101 2.163 9.805 630 HD2 PHE 84 HD2 PHE 84 9.272 3.057 9.163 631 HE1 PHE 84 HE1 PHE 84 5.733 0.165 11.143 632 HE2 PHE 84 HE2 PHE 84 9.896 0.939 10.317 633 HZ PHE 84 HZ PHE 84 8.127 -0.457 11.410 634 H ILE 85 H ILE 85 3.637 4.662 7.240 635 HA ILE 85 HA ILE 85 4.202 7.433 6.226 636 HB ILE 85 HB ILE 85 1.651 5.801 6.390 637 HG12 ILE 85 HG12 ILE 85 3.089 6.824 3.901 638 HG13 ILE 85 HG13 ILE 85 3.340 5.208 4.563 639 HG21 ILE 85 HG21 ILE 85 1.999 8.618 5.269 640 HG22 ILE 85 HG22 ILE 85 0.510 7.642 5.233 641 HG23 ILE 85 HG23 ILE 85 1.135 8.196 6.768 642 HD11 ILE 85 HD11 ILE 85 0.709 6.285 3.497 643 HD12 ILE 85 HD12 ILE 85 1.734 5.021 2.802 644 HD13 ILE 85 HD13 ILE 85 0.907 4.742 4.354 645 H TYR 86 H TYR 86 4.513 8.881 7.856 646 HA TYR 86 HA TYR 86 2.944 8.631 10.365 647 HB2 TYR 86 HB2 TYR 86 5.269 9.102 10.618 648 HB3 TYR 86 HB3 TYR 86 5.155 10.463 9.522 649 HD1 TYR 86 HD1 TYR 86 2.398 10.103 11.991 650 HD2 TYR 86 HD2 TYR 86 6.326 11.769 11.273 651 HE1 TYR 86 HE1 TYR 86 2.052 11.735 13.811 652 HE2 TYR 86 HE2 TYR 86 5.976 13.366 13.154 653 HH TYR 86 HH TYR 86 2.934 13.437 15.041 654 H SER 87 H SER 87 0.865 8.888 9.508 655 HA SER 87 HA SER 87 0.085 11.696 9.421 656 HB2 SER 87 HB2 SER 87 0.485 11.016 6.971 657 HB3 SER 87 HB3 SER 87 -0.920 9.947 7.150 658 HG SER 87 HG SER 87 -0.793 12.788 7.452 659 H ARG 88 H ARG 88 -2.352 11.835 9.191 660 HA ARG 88 HA ARG 88 -3.718 10.153 11.224 661 HB2 ARG 88 HB2 ARG 88 -4.693 12.539 9.563 662 HB3 ARG 88 HB3 ARG 88 -5.587 11.778 10.876 663 HG2 ARG 88 HG2 ARG 88 -3.570 12.348 12.383 664 HG3 ARG 88 HG3 ARG 88 -3.011 13.368 11.056 665 HD2 ARG 88 HD2 ARG 88 -4.273 15.016 11.889 666 HD3 ARG 88 HD3 ARG 88 -5.700 14.142 11.343 667 HE ARG 88 HE ARG 88 -4.504 14.154 14.081 668 HH11 ARG 88 HH11 ARG 88 -7.470 13.380 12.239 669 HH12 ARG 88 HH12 ARG 88 -8.156 12.662 13.653 670 HH21 ARG 88 HH21 ARG 88 -5.598 13.373 15.790 671 HH22 ARG 88 HH22 ARG 88 -7.207 12.748 15.589 672 HA PRO 89 HA PRO 89 -5.815 7.636 8.198 673 HB2 PRO 89 HB2 PRO 89 -8.357 7.294 9.221 674 HB3 PRO 89 HB3 PRO 89 -6.889 6.516 9.890 675 HG2 PRO 89 HG2 PRO 89 -8.251 9.058 10.827 676 HG3 PRO 89 HG3 PRO 89 -7.718 7.658 11.814 677 HD2 PRO 89 HD2 PRO 89 -6.190 9.868 11.608 678 HD3 PRO 89 HD3 PRO 89 -5.436 8.251 11.585 679 H GLU 90 H GLU 90 -7.206 10.768 8.915 680 HA GLU 90 HA GLU 90 -9.405 10.760 7.092 681 HB2 GLU 90 HB2 GLU 90 -7.815 13.007 8.358 682 HB3 GLU 90 HB3 GLU 90 -9.236 13.277 7.343 683 HG2 GLU 90 HG2 GLU 90 -10.666 12.136 8.898 684 HG3 GLU 90 HG3 GLU 90 -9.299 11.494 9.812 685 HA PRO 91 HA PRO 91 -6.733 12.887 3.754 686 HB2 PRO 91 HB2 PRO 91 -4.002 13.018 3.949 687 HB3 PRO 91 HB3 PRO 91 -5.080 14.251 4.666 688 HG2 PRO 91 HG2 PRO 91 -3.801 11.853 6.011 689 HG3 PRO 91 HG3 PRO 91 -3.821 13.556 6.579 690 HD2 PRO 91 HD2 PRO 91 -5.578 11.736 7.503 691 HD3 PRO 91 HD3 PRO 91 -6.087 13.412 7.207 692 H VAL 92 H VAL 92 -6.212 9.906 5.101 693 HA VAL 92 HA VAL 92 -4.953 8.676 2.665 694 HB VAL 92 HB VAL 92 -5.608 7.367 5.332 695 HG11 VAL 92 HG11 VAL 92 -5.327 5.772 3.501 696 HG12 VAL 92 HG12 VAL 92 -3.799 6.539 3.020 697 HG13 VAL 92 HG13 VAL 92 -3.925 5.695 4.576 698 HG21 VAL 92 HG21 VAL 92 -2.847 8.312 4.497 699 HG22 VAL 92 HG22 VAL 92 -3.867 9.199 5.640 700 HG23 VAL 92 HG23 VAL 92 -3.326 7.569 6.025 701 H LYS 93 H LYS 93 -7.745 8.181 4.852 702 HA LYS 93 HA LYS 93 -9.063 6.380 3.040 703 HB2 LYS 93 HB2 LYS 93 -9.425 6.929 5.676 704 HB3 LYS 93 HB3 LYS 93 -10.749 7.886 5.002 705 HG2 LYS 93 HG2 LYS 93 -11.152 5.627 3.591 706 HG3 LYS 93 HG3 LYS 93 -10.287 4.899 4.948 707 HD2 LYS 93 HD2 LYS 93 -12.890 6.505 5.099 708 HD3 LYS 93 HD3 LYS 93 -12.718 4.752 5.120 709 HE2 LYS 93 HE2 LYS 93 -12.968 5.103 7.327 710 HE3 LYS 93 HE3 LYS 93 -11.210 5.076 7.176 711 HZ1 LYS 93 HZ1 LYS 93 -11.224 7.510 7.266 712 HZ2 LYS 93 HZ2 LYS 93 -11.987 6.901 8.574 713 HZ3 LYS 93 HZ3 LYS 93 -12.863 7.536 7.354 714 H ALA 94 H ALA 94 -9.495 9.857 3.584 715 HA ALA 94 HA ALA 94 -11.866 10.058 1.940 716 HB1 ALA 94 HB1 ALA 94 -10.042 12.254 2.979 717 HB2 ALA 94 HB2 ALA 94 -11.724 12.420 2.439 718 HB3 ALA 94 HB3 ALA 94 -11.363 11.497 3.911 719 H ILE 95 H ILE 95 -8.640 9.795 0.965 720 HA ILE 95 HA ILE 95 -8.479 11.451 -1.312 721 HB ILE 95 HB ILE 95 -7.493 8.579 -1.112 722 HG12 ILE 95 HG12 ILE 95 -5.966 11.135 -0.424 723 HG13 ILE 95 HG13 ILE 95 -6.696 10.074 0.771 724 HG21 ILE 95 HG21 ILE 95 -7.440 9.590 -3.433 725 HG22 ILE 95 HG22 ILE 95 -6.434 10.902 -2.802 726 HG23 ILE 95 HG23 ILE 95 -5.852 9.222 -2.804 727 HD11 ILE 95 HD11 ILE 95 -4.358 9.560 0.638 728 HD12 ILE 95 HD12 ILE 95 -5.271 8.186 0.004 729 HD13 ILE 95 HD13 ILE 95 -4.430 9.302 -1.104 730 H CYS 96 H CYS 96 -10.310 8.466 -0.804 731 HA CYS 96 HA CYS 96 -11.617 8.792 -3.472 732 HB2 CYS 96 HB2 CYS 96 -12.248 6.435 -3.262 733 HB3 CYS 96 HB3 CYS 96 -10.508 6.695 -3.391 734 H LYS 97 H LYS 97 -13.830 8.395 -3.611 735 HA LYS 97 HA LYS 97 -15.544 8.232 -1.251 736 HB2 LYS 97 HB2 LYS 97 -14.942 10.693 -1.452 737 HB3 LYS 97 HB3 LYS 97 -15.704 10.706 -3.034 738 HG2 LYS 97 HG2 LYS 97 -17.246 11.608 -1.451 739 HG3 LYS 97 HG3 LYS 97 -17.882 10.034 -1.935 740 HD2 LYS 97 HD2 LYS 97 -17.085 9.030 0.172 741 HD3 LYS 97 HD3 LYS 97 -16.269 10.546 0.613 742 HE2 LYS 97 HE2 LYS 97 -18.463 11.710 0.642 743 HE3 LYS 97 HE3 LYS 97 -19.275 10.201 0.205 744 HZ1 LYS 97 HZ1 LYS 97 -19.342 10.594 2.604 745 HZ2 LYS 97 HZ2 LYS 97 -17.714 10.632 2.701 746 HZ3 LYS 97 HZ3 LYS 97 -18.481 9.243 2.303 747 H GLY 98 H GLY 98 -16.818 6.632 -1.884 748 HA2 GLY 98 HA2 GLY 98 -18.606 5.618 -3.029 749 HA3 GLY 98 HA3 GLY 98 -18.488 6.822 -4.302 750 H ILE 99 H ILE 99 -15.411 5.558 -3.838 751 HA ILE 99 HA ILE 99 -15.489 4.145 -6.373 752 HB ILE 99 HB ILE 99 -13.215 4.609 -4.415 753 HG12 ILE 99 HG12 ILE 99 -14.053 5.942 -7.035 754 HG13 ILE 99 HG13 ILE 99 -14.100 6.658 -5.428 755 HG21 ILE 99 HG21 ILE 99 -11.745 3.896 -6.300 756 HG22 ILE 99 HG22 ILE 99 -12.730 2.577 -5.722 757 HG23 ILE 99 HG23 ILE 99 -13.169 3.423 -7.236 758 HD11 ILE 99 HD11 ILE 99 -11.546 6.385 -5.368 759 HD12 ILE 99 HD12 ILE 99 -11.658 6.061 -7.108 760 HD13 ILE 99 HD13 ILE 99 -12.223 7.609 -6.454 761 H ILE 100 H ILE 100 -16.135 2.205 -6.627 762 HA ILE 100 HA ILE 100 -15.504 0.016 -4.680 763 HB ILE 100 HB ILE 100 -17.616 -0.172 -6.840 764 HG12 ILE 100 HG12 ILE 100 -17.950 0.998 -4.047 765 HG13 ILE 100 HG13 ILE 100 -18.278 1.802 -5.585 766 HG21 ILE 100 HG21 ILE 100 -16.818 -2.254 -5.582 767 HG22 ILE 100 HG22 ILE 100 -17.441 -1.487 -4.105 768 HG23 ILE 100 HG23 ILE 100 -18.531 -1.923 -5.432 769 HD11 ILE 100 HD11 ILE 100 -19.913 -0.422 -4.341 770 HD12 ILE 100 HD12 ILE 100 -20.369 1.263 -4.615 771 HD13 ILE 100 HD13 ILE 100 -20.140 0.182 -6.006 772 H ALA 101 H ALA 101 -14.554 1.342 -7.569 773 HA ALA 101 HA ALA 101 -14.196 -0.916 -9.295 774 HB1 ALA 101 HB1 ALA 101 -13.028 1.897 -9.418 775 HB2 ALA 101 HB2 ALA 101 -13.183 0.756 -10.770 776 HB3 ALA 101 HB3 ALA 101 -14.640 1.421 -10.016 777 H SER 102 H SER 102 -12.461 -0.628 -6.597 778 HA SER 102 HA SER 102 -10.343 -0.946 -5.849 779 HB2 SER 102 HB2 SER 102 -9.140 -2.867 -6.701 780 HB3 SER 102 HB3 SER 102 -10.851 -3.160 -6.389 781 HG SER 102 HG SER 102 -10.574 -2.413 -8.941 782 H LYS 103 H LYS 103 -10.008 1.400 -6.612 783 HA LYS 103 HA LYS 103 -7.347 1.615 -7.757 784 HB2 LYS 103 HB2 LYS 103 -8.923 1.570 -9.785 785 HB3 LYS 103 HB3 LYS 103 -9.510 3.149 -9.256 786 HG2 LYS 103 HG2 LYS 103 -7.226 4.080 -9.480 787 HG3 LYS 103 HG3 LYS 103 -6.577 2.466 -9.780 788 HD2 LYS 103 HD2 LYS 103 -6.632 3.519 -11.868 789 HD3 LYS 103 HD3 LYS 103 -7.995 2.392 -11.895 790 HE2 LYS 103 HE2 LYS 103 -9.552 4.263 -11.401 791 HE3 LYS 103 HE3 LYS 103 -8.185 5.377 -11.250 792 HZ1 LYS 103 HZ1 LYS 103 -9.193 5.531 -13.454 793 HZ2 LYS 103 HZ2 LYS 103 -8.941 3.946 -13.745 794 HZ3 LYS 103 HZ3 LYS 103 -7.672 4.964 -13.600 795 H ASN 104 H ASN 104 -6.387 3.746 -7.296 796 HA ASN 104 HA ASN 104 -8.165 5.786 -6.154 797 HB2 ASN 104 HB2 ASN 104 -6.699 4.222 -4.438 798 HB3 ASN 104 HB3 ASN 104 -5.540 5.496 -4.743 799 HD21 ASN 104 HD21 ASN 104 -6.749 4.975 -2.191 800 HD22 ASN 104 HD22 ASN 104 -7.583 6.453 -1.786 801 H VAL 105 H VAL 105 -6.396 7.747 -5.596 802 HA VAL 105 HA VAL 105 -4.632 8.119 -7.978 803 HB VAL 105 HB VAL 105 -6.355 10.288 -6.701 804 HG11 VAL 105 HG11 VAL 105 -4.587 10.311 -9.193 805 HG12 VAL 105 HG12 VAL 105 -5.650 11.634 -8.666 806 HG13 VAL 105 HG13 VAL 105 -4.272 11.180 -7.671 807 HG21 VAL 105 HG21 VAL 105 -7.826 8.808 -7.993 808 HG22 VAL 105 HG22 VAL 105 -7.592 10.321 -8.864 809 HG23 VAL 105 HG23 VAL 105 -6.709 8.866 -9.377 810 H LEU 106 H LEU 106 -2.632 8.890 -7.470 811 HA LEU 106 HA LEU 106 -1.484 8.918 -4.972 812 HB2 LEU 106 HB2 LEU 106 -0.282 9.119 -7.177 813 HB3 LEU 106 HB3 LEU 106 -0.871 10.763 -7.336 814 HG LEU 106 HG LEU 106 0.457 11.320 -5.226 815 HD11 LEU 106 HD11 LEU 106 2.076 9.864 -4.362 816 HD12 LEU 106 HD12 LEU 106 1.908 8.734 -5.743 817 HD13 LEU 106 HD13 LEU 106 0.626 8.875 -4.551 818 HD21 LEU 106 HD21 LEU 106 2.625 11.377 -6.423 819 HD22 LEU 106 HD22 LEU 106 1.274 11.939 -7.420 820 HD23 LEU 106 HD23 LEU 106 1.934 10.313 -7.672 821 H THR 107 H THR 107 -1.303 10.251 -3.276 822 HA THR 107 HA THR 107 -3.131 12.417 -2.807 823 HB THR 107 HB THR 107 -0.673 12.477 -1.159 824 HG1 THR 107 HG1 THR 107 -1.072 10.101 -1.540 825 HG21 THR 107 HG21 THR 107 -3.672 12.244 -0.636 826 HG22 THR 107 HG22 THR 107 -2.642 13.680 -0.387 827 HG23 THR 107 HG23 THR 107 -2.459 12.242 0.636 828 H THR 108 H THR 108 -2.335 14.615 -2.010 829 HA THR 108 HA THR 108 -0.413 15.810 -3.998 830 HB THR 108 HB THR 108 -2.778 16.298 -4.436 831 HG1 THR 108 HG1 THR 108 -2.407 18.483 -4.765 832 HG21 THR 108 HG21 THR 108 -3.642 16.520 -2.110 833 HG22 THR 108 HG22 THR 108 -3.986 17.943 -3.101 834 HG23 THR 108 HG23 THR 108 -2.678 18.002 -1.906 835 H SER 109 H SER 109 -1.220 15.660 -0.604 836 HA SER 109 HA SER 109 0.490 17.933 0.166 837 HB2 SER 109 HB2 SER 109 -0.893 15.818 1.854 838 HB3 SER 109 HB3 SER 109 -0.134 17.295 2.461 839 HG SER 109 HG SER 109 -1.677 18.504 1.280 840 H GLU 110 H GLU 110 2.159 17.532 1.929 841 HA GLU 110 HA GLU 110 3.870 15.206 1.181 842 HB2 GLU 110 HB2 GLU 110 4.820 17.904 2.135 843 HB3 GLU 110 HB3 GLU 110 5.783 16.562 1.502 844 HG2 GLU 110 HG2 GLU 110 4.450 16.785 -0.666 845 HG3 GLU 110 HG3 GLU 110 3.818 18.304 -0.037 846 H PHE 111 H PHE 111 3.702 13.698 2.660 847 HA PHE 111 HA PHE 111 3.380 14.341 5.539 848 HB2 PHE 111 HB2 PHE 111 3.167 11.633 4.191 849 HB3 PHE 111 HB3 PHE 111 2.516 12.123 5.748 850 HD1 PHE 111 HD2 PHE 111 0.408 13.474 5.855 851 HD2 PHE 111 HD1 PHE 111 2.070 12.167 2.114 852 HE1 PHE 111 HE2 PHE 111 -1.735 14.004 4.720 853 HE2 PHE 111 HE1 PHE 111 -0.048 12.734 0.966 854 HZ PHE 111 HZ PHE 111 -1.960 13.640 2.253 855 H TYR 112 H TYR 112 4.561 12.868 7.104 856 HA TYR 112 HA TYR 112 7.418 12.794 6.451 857 HB2 TYR 112 HB2 TYR 112 5.750 12.603 8.884 858 HB3 TYR 112 HB3 TYR 112 7.118 11.497 8.862 859 HD1 TYR 112 HD1 TYR 112 6.491 15.102 7.912 860 HD2 TYR 112 HD2 TYR 112 9.033 12.233 9.889 861 HE1 TYR 112 HE1 TYR 112 8.046 16.939 8.596 862 HE2 TYR 112 HE2 TYR 112 10.573 14.066 10.581 863 HH TYR 112 HH TYR 112 10.997 16.309 10.526 864 H LEU 113 H LEU 113 8.053 11.328 5.092 865 HA LEU 113 HA LEU 113 7.027 8.533 5.249 866 HB2 LEU 113 HB2 LEU 113 8.011 10.270 3.069 867 HB3 LEU 113 HB3 LEU 113 8.713 8.664 3.044 868 HG LEU 113 HG LEU 113 6.700 8.848 1.673 869 HD11 LEU 113 HD11 LEU 113 7.371 6.682 2.620 870 HD12 LEU 113 HD12 LEU 113 5.631 6.807 2.312 871 HD13 LEU 113 HD13 LEU 113 6.242 6.930 3.970 872 HD21 LEU 113 HD21 LEU 113 5.072 9.126 4.219 873 HD22 LEU 113 HD22 LEU 113 4.484 9.039 2.547 874 HD23 LEU 113 HD23 LEU 113 5.415 10.449 3.086 875 H SER 114 H SER 114 8.072 6.983 6.097 876 HA SER 114 HA SER 114 10.969 7.262 6.823 877 HB2 SER 114 HB2 SER 114 9.630 7.774 8.733 878 HB3 SER 114 HB3 SER 114 8.606 6.380 8.480 879 HG SER 114 HG SER 114 10.065 5.764 10.027 880 H ASP 115 H ASP 115 11.806 6.019 5.264 881 HA ASP 115 HA ASP 115 10.902 3.204 4.897 882 HB2 ASP 115 HB2 ASP 115 12.815 5.022 3.388 883 HB3 ASP 115 HB3 ASP 115 12.728 3.288 3.109 884 H CYS 116 H CYS 116 12.112 1.514 5.605 885 HA CYS 116 HA CYS 116 14.938 2.004 6.527 886 HB2 CYS 116 HB2 CYS 116 12.855 0.082 7.605 887 HB3 CYS 116 HB3 CYS 116 14.579 -0.197 7.796 888 H ASN 117 H ASN 117 16.456 0.454 5.711 889 HA ASN 117 HA ASN 117 15.440 -1.500 3.677 890 HB2 ASN 117 HB2 ASN 117 17.603 0.611 3.277 891 HB3 ASN 117 HB3 ASN 117 17.427 -0.809 2.253 892 HD21 ASN 117 HD21 ASN 117 16.201 2.405 2.908 893 HD22 ASN 117 HD22 ASN 117 15.020 2.344 1.602 894 H VAL 118 H VAL 118 16.206 -3.465 4.111 895 HA VAL 118 HA VAL 118 18.018 -4.049 6.252 896 HB VAL 118 HB VAL 118 16.989 -5.644 3.910 897 HG11 VAL 118 HG11 VAL 118 18.834 -6.734 6.083 898 HG12 VAL 118 HG12 VAL 118 17.882 -7.720 4.955 899 HG13 VAL 118 HG13 VAL 118 19.171 -6.700 4.331 900 HG21 VAL 118 HG21 VAL 118 16.603 -5.886 6.918 901 HG22 VAL 118 HG22 VAL 118 15.462 -5.157 5.769 902 HG23 VAL 118 HG23 VAL 118 15.810 -6.885 5.684 903 H THR 119 H THR 119 20.134 -4.645 6.386 904 HA THR 119 HA THR 119 21.831 -4.539 3.943 905 HB THR 119 HB THR 119 22.061 -2.345 4.711 906 HG1 THR 119 HG1 THR 119 24.299 -2.348 5.025 907 HG21 THR 119 HG21 THR 119 22.986 -1.652 6.839 908 HG22 THR 119 HG22 THR 119 23.033 -3.326 7.416 909 HG23 THR 119 HG23 THR 119 21.475 -2.525 7.099 910 H SER 120 H SER 120 22.425 -6.496 3.763 911 HA SER 120 HA SER 120 24.097 -7.827 5.788 912 HB2 SER 120 HB2 SER 120 21.726 -8.516 6.286 913 HB3 SER 120 HB3 SER 120 21.644 -9.239 4.667 914 HG SER 120 HG SER 120 22.306 -10.759 6.317 Start of MODEL 8 1 H1 ARG 1 H1 ARG 1 15.974 -6.628 18.495 2 H2 ARG 1 H2 ARG 1 17.279 -7.273 19.255 3 H3 ARG 1 H3 ARG 1 16.920 -5.678 19.412 4 HA ARG 1 HA ARG 1 17.405 -5.244 17.092 5 HB2 ARG 1 HB2 ARG 1 19.607 -6.702 18.605 6 HB3 ARG 1 HB3 ARG 1 19.876 -5.729 17.160 7 HG2 ARG 1 HG2 ARG 1 19.469 -3.704 18.249 8 HG3 ARG 1 HG3 ARG 1 18.447 -4.425 19.487 9 HD2 ARG 1 HD2 ARG 1 20.448 -5.526 20.477 10 HD3 ARG 1 HD3 ARG 1 21.469 -4.656 19.312 11 HE ARG 1 HE ARG 1 20.035 -2.621 20.433 12 HH11 ARG 1 HH11 ARG 1 21.923 -5.121 21.973 13 HH12 ARG 1 HH12 ARG 1 22.189 -4.162 23.404 14 HH21 ARG 1 HH21 ARG 1 20.384 -1.460 22.266 15 HH22 ARG 1 HH22 ARG 1 21.341 -2.135 23.549 16 HA PRO 2 HA PRO 2 16.330 -9.477 15.681 17 HB2 PRO 2 HB2 PRO 2 14.556 -8.916 13.658 18 HB3 PRO 2 HB3 PRO 2 14.140 -8.904 15.392 19 HG2 PRO 2 HG2 PRO 2 14.840 -6.541 13.631 20 HG3 PRO 2 HG3 PRO 2 13.491 -6.698 14.794 21 HD2 PRO 2 HD2 PRO 2 15.792 -5.407 15.447 22 HD3 PRO 2 HD3 PRO 2 14.909 -6.405 16.635 23 H CYS 3 H CYS 3 16.873 -6.928 13.288 24 HA CYS 3 HA CYS 3 18.988 -8.461 11.905 25 HB2 CYS 3 HB2 CYS 3 16.583 -7.188 10.515 26 HB3 CYS 3 HB3 CYS 3 18.017 -7.763 9.693 27 H LYS 4 H LYS 4 19.652 -6.548 9.965 28 HA LYS 4 HA LYS 4 19.901 -3.948 11.400 29 HB2 LYS 4 HB2 LYS 4 21.890 -5.379 9.598 30 HB3 LYS 4 HB3 LYS 4 22.046 -3.686 10.061 31 HG2 LYS 4 HG2 LYS 4 21.868 -5.776 12.250 32 HG3 LYS 4 HG3 LYS 4 23.329 -5.640 11.298 33 HD2 LYS 4 HD2 LYS 4 23.666 -4.293 13.235 34 HD3 LYS 4 HD3 LYS 4 23.509 -3.220 11.856 35 HE2 LYS 4 HE2 LYS 4 22.312 -2.257 13.706 36 HE3 LYS 4 HE3 LYS 4 21.133 -2.760 12.503 37 HZ1 LYS 4 HZ1 LYS 4 20.717 -4.763 13.852 38 HZ2 LYS 4 HZ2 LYS 4 20.449 -3.438 14.740 39 HZ3 LYS 4 HZ3 LYS 4 21.832 -4.277 14.964 40 H TYR 5 H TYR 5 19.648 -2.154 10.154 41 HA TYR 5 HA TYR 5 18.720 -2.396 7.367 42 HB2 TYR 5 HB2 TYR 5 17.126 -0.934 9.497 43 HB3 TYR 5 HB3 TYR 5 16.721 -1.057 7.802 44 HD1 TYR 5 HD1 TYR 5 16.951 -2.946 10.991 45 HD2 TYR 5 HD2 TYR 5 15.440 -2.965 6.943 46 HE1 TYR 5 HE1 TYR 5 15.371 -4.764 11.595 47 HE2 TYR 5 HE2 TYR 5 13.810 -4.732 7.584 48 HH TYR 5 HH TYR 5 13.667 -6.108 10.872 49 H LYS 6 H LYS 6 18.650 -0.312 6.302 50 HA LYS 6 HA LYS 6 20.500 1.730 7.481 51 HB2 LYS 6 HB2 LYS 6 21.092 2.365 5.266 52 HB3 LYS 6 HB3 LYS 6 21.208 0.629 5.418 53 HG2 LYS 6 HG2 LYS 6 18.573 1.058 4.444 54 HG3 LYS 6 HG3 LYS 6 19.546 2.291 3.648 55 HD2 LYS 6 HD2 LYS 6 21.176 0.174 3.222 56 HD3 LYS 6 HD3 LYS 6 19.647 -0.715 3.434 57 HE2 LYS 6 HE2 LYS 6 18.635 0.637 1.610 58 HE3 LYS 6 HE3 LYS 6 20.085 1.637 1.518 59 HZ1 LYS 6 HZ1 LYS 6 20.010 -1.269 0.885 60 HZ2 LYS 6 HZ2 LYS 6 21.333 -0.312 0.790 61 HZ3 LYS 6 HZ3 LYS 6 20.077 -0.062 -0.215 62 H LEU 7 H LEU 7 20.240 3.910 7.003 63 HA LEU 7 HA LEU 7 17.631 4.829 7.877 64 HB2 LEU 7 HB2 LEU 7 20.213 5.445 8.524 65 HB3 LEU 7 HB3 LEU 7 19.935 6.706 7.354 66 HG LEU 7 HG LEU 7 19.545 7.576 9.518 67 HD11 LEU 7 HD11 LEU 7 16.760 7.047 8.429 68 HD12 LEU 7 HD12 LEU 7 17.885 8.270 7.781 69 HD13 LEU 7 HD13 LEU 7 17.301 8.403 9.446 70 HD21 LEU 7 HD21 LEU 7 19.187 5.450 10.719 71 HD22 LEU 7 HD22 LEU 7 17.543 5.343 10.058 72 HD23 LEU 7 HD23 LEU 7 17.984 6.673 11.148 73 H LYS 8 H LYS 8 16.054 5.237 6.400 74 HA LYS 8 HA LYS 8 16.667 6.964 4.042 75 HB2 LYS 8 HB2 LYS 8 16.604 4.634 3.289 76 HB3 LYS 8 HB3 LYS 8 15.017 4.414 4.011 77 HG2 LYS 8 HG2 LYS 8 14.776 4.703 1.633 78 HG3 LYS 8 HG3 LYS 8 14.066 6.102 2.436 79 HD2 LYS 8 HD2 LYS 8 16.108 7.434 1.919 80 HD3 LYS 8 HD3 LYS 8 16.814 6.012 1.115 81 HE2 LYS 8 HE2 LYS 8 14.881 5.975 -0.461 82 HE3 LYS 8 HE3 LYS 8 14.191 7.387 0.352 83 HZ1 LYS 8 HZ1 LYS 8 16.164 8.654 -0.319 84 HZ2 LYS 8 HZ2 LYS 8 15.428 8.028 -1.633 85 HZ3 LYS 8 HZ3 LYS 8 16.802 7.350 -1.072 86 H LYS 9 H LYS 9 15.803 8.796 4.731 87 HA LYS 9 HA LYS 9 12.899 8.883 5.516 88 HB2 LYS 9 HB2 LYS 9 15.138 10.781 6.323 89 HB3 LYS 9 HB3 LYS 9 13.448 10.927 6.796 90 HG2 LYS 9 HG2 LYS 9 15.264 8.596 7.536 91 HG3 LYS 9 HG3 LYS 9 14.946 9.991 8.563 92 HD2 LYS 9 HD2 LYS 9 12.575 9.394 8.731 93 HD3 LYS 9 HD3 LYS 9 12.786 8.090 7.562 94 HE2 LYS 9 HE2 LYS 9 12.691 7.098 9.727 95 HE3 LYS 9 HE3 LYS 9 14.317 6.906 9.080 96 HZ1 LYS 9 HZ1 LYS 9 14.340 7.599 11.416 97 HZ2 LYS 9 HZ2 LYS 9 13.519 8.967 11.078 98 HZ3 LYS 9 HZ3 LYS 9 15.035 8.759 10.504 99 H SER 10 H SER 10 11.559 10.189 4.529 100 HA SER 10 HA SER 10 12.433 12.103 2.426 101 HB2 SER 10 HB2 SER 10 10.666 9.654 1.975 102 HB3 SER 10 HB3 SER 10 10.860 10.979 0.810 103 HG SER 10 HG SER 10 13.106 10.484 0.735 104 H THR 11 H THR 11 10.459 13.285 1.503 105 HA THR 11 HA THR 11 8.143 13.314 3.342 106 HB THR 11 HB THR 11 9.424 15.960 2.612 107 HG1 THR 11 HG1 THR 11 10.824 14.886 4.016 108 HG21 THR 11 HG21 THR 11 7.386 15.052 4.693 109 HG22 THR 11 HG22 THR 11 6.988 15.880 3.171 110 HG23 THR 11 HG23 THR 11 7.921 16.731 4.421 111 H ASN 12 H ASN 12 6.531 12.821 2.030 112 HA ASN 12 HA ASN 12 5.764 14.324 -0.303 113 HB2 ASN 12 HB2 ASN 12 6.267 12.429 -1.992 114 HB3 ASN 12 HB3 ASN 12 7.583 13.448 -1.471 115 HD21 ASN 12 HD21 ASN 12 6.086 10.468 0.070 116 HD22 ASN 12 HD22 ASN 12 7.654 9.679 0.061 117 H LYS 13 H LYS 13 4.137 13.179 -1.614 118 HA LYS 13 HA LYS 13 1.949 11.917 -0.228 119 HB2 LYS 13 HB2 LYS 13 1.177 11.603 -2.688 120 HB3 LYS 13 HB3 LYS 13 1.308 13.209 -2.016 121 HG2 LYS 13 HG2 LYS 13 3.679 12.174 -3.511 122 HG3 LYS 13 HG3 LYS 13 2.220 12.520 -4.437 123 HD2 LYS 13 HD2 LYS 13 2.104 14.794 -3.662 124 HD3 LYS 13 HD3 LYS 13 3.437 14.566 -2.537 125 HE2 LYS 13 HE2 LYS 13 4.932 13.990 -4.521 126 HE3 LYS 13 HE3 LYS 13 3.593 14.448 -5.579 127 HZ1 LYS 13 HZ1 LYS 13 5.041 16.243 -3.676 128 HZ2 LYS 13 HZ2 LYS 13 3.687 16.688 -4.500 129 HZ3 LYS 13 HZ3 LYS 13 5.061 16.317 -5.299 130 H PHE 14 H PHE 14 0.901 9.990 -1.262 131 HA PHE 14 HA PHE 14 2.704 7.727 -1.858 132 HB2 PHE 14 HB2 PHE 14 1.478 6.355 -0.068 133 HB3 PHE 14 HB3 PHE 14 2.682 7.502 0.486 134 HD1 PHE 14 HD2 PHE 14 -1.030 6.995 0.152 135 HD2 PHE 14 HD1 PHE 14 2.142 9.274 1.983 136 HE1 PHE 14 HE2 PHE 14 -2.689 8.171 1.582 137 HE2 PHE 14 HE1 PHE 14 0.481 10.418 3.417 138 HZ PHE 14 HZ PHE 14 -1.940 9.962 3.149 139 H CYS 15 H CYS 15 1.739 6.022 -2.923 140 HA CYS 15 HA CYS 15 -1.011 6.556 -3.985 141 HB2 CYS 15 HB2 CYS 15 0.838 6.536 -5.646 142 HB3 CYS 15 HB3 CYS 15 1.165 4.858 -5.254 143 H VAL 16 H VAL 16 -2.502 5.041 -3.959 144 HA VAL 16 HA VAL 16 -2.151 2.378 -2.671 145 HB VAL 16 HB VAL 16 -3.972 2.874 -1.012 146 HG11 VAL 16 HG11 VAL 16 -1.429 4.488 -0.617 147 HG12 VAL 16 HG12 VAL 16 -2.604 4.043 0.628 148 HG13 VAL 16 HG13 VAL 16 -1.699 2.776 -0.218 149 HG21 VAL 16 HG21 VAL 16 -3.366 5.810 -1.453 150 HG22 VAL 16 HG22 VAL 16 -4.742 4.986 -2.196 151 HG23 VAL 16 HG23 VAL 16 -4.608 5.059 -0.424 152 H THR 17 H THR 17 -4.477 1.341 -2.431 153 HA THR 17 HA THR 17 -6.168 2.035 -4.832 154 HB THR 17 HB THR 17 -5.842 -0.744 -3.695 155 HG1 THR 17 HG1 THR 17 -4.457 -1.055 -5.545 156 HG21 THR 17 HG21 THR 17 -6.657 0.103 -6.472 157 HG22 THR 17 HG22 THR 17 -7.814 -0.314 -5.174 158 HG23 THR 17 HG23 THR 17 -6.683 -1.525 -5.788 159 H CYS 18 H CYS 18 -8.217 2.717 -4.291 160 HA CYS 18 HA CYS 18 -9.367 1.970 -1.668 161 HB2 CYS 18 HB2 CYS 18 -9.913 4.151 -3.640 162 HB3 CYS 18 HB3 CYS 18 -11.274 3.465 -2.768 163 H GLU 19 H GLU 19 -10.857 0.530 -1.401 164 HA GLU 19 HA GLU 19 -12.527 -0.404 -3.664 165 HB2 GLU 19 HB2 GLU 19 -10.499 -1.908 -3.351 166 HB3 GLU 19 HB3 GLU 19 -11.137 -2.326 -1.757 167 HG2 GLU 19 HG2 GLU 19 -13.250 -3.109 -2.836 168 HG3 GLU 19 HG3 GLU 19 -12.579 -2.711 -4.420 169 H ASN 20 H ASN 20 -14.505 0.045 -3.021 170 HA ASN 20 HA ASN 20 -16.349 0.490 -1.795 171 HB2 ASN 20 HB2 ASN 20 -15.278 -1.669 0.053 172 HB3 ASN 20 HB3 ASN 20 -16.820 -0.860 0.272 173 HD21 ASN 20 HD21 ASN 20 -15.031 -2.652 -2.340 174 HD22 ASN 20 HD22 ASN 20 -16.509 -3.422 -2.908 175 H GLN 21 H GLN 21 -14.649 2.375 -1.779 176 HA GLN 21 HA GLN 21 -14.320 4.445 -0.935 177 HB2 GLN 21 HB2 GLN 21 -16.304 3.745 1.249 178 HB3 GLN 21 HB3 GLN 21 -15.839 5.340 0.670 179 HG2 GLN 21 HG2 GLN 21 -17.718 5.200 -0.567 180 HG3 GLN 21 HG3 GLN 21 -16.709 4.261 -1.667 181 HE21 GLN 21 HE21 GLN 21 -17.909 2.504 -2.381 182 HE22 GLN 21 HE22 GLN 21 -19.012 1.613 -1.329 183 H ALA 22 H ALA 22 -12.462 2.370 0.051 184 HA ALA 22 HA ALA 22 -11.221 3.816 2.211 185 HB1 ALA 22 HB1 ALA 22 -12.287 0.992 2.663 186 HB2 ALA 22 HB2 ALA 22 -11.293 1.947 3.803 187 HB3 ALA 22 HB3 ALA 22 -12.932 2.468 3.414 188 HA PRO 23 HA PRO 23 -7.981 1.932 -0.218 189 HB2 PRO 23 HB2 PRO 23 -5.796 3.030 0.906 190 HB3 PRO 23 HB3 PRO 23 -7.038 3.950 -0.028 191 HG2 PRO 23 HG2 PRO 23 -6.882 3.660 2.985 192 HG3 PRO 23 HG3 PRO 23 -6.978 5.167 2.028 193 HD2 PRO 23 HD2 PRO 23 -9.198 3.944 3.077 194 HD3 PRO 23 HD3 PRO 23 -9.234 4.788 1.500 195 H VAL 24 H VAL 24 -7.876 -0.180 -0.068 196 HA VAL 24 HA VAL 24 -6.759 -1.505 2.356 197 HB VAL 24 HB VAL 24 -7.994 -3.439 1.890 198 HG11 VAL 24 HG11 VAL 24 -10.072 -1.358 1.187 199 HG12 VAL 24 HG12 VAL 24 -10.177 -2.755 2.280 200 HG13 VAL 24 HG13 VAL 24 -9.256 -1.307 2.736 201 HG21 VAL 24 HG21 VAL 24 -8.974 -2.209 -0.722 202 HG22 VAL 24 HG22 VAL 24 -7.840 -3.564 -0.575 203 HG23 VAL 24 HG23 VAL 24 -9.495 -3.757 0.002 204 H HIS 25 H HIS 25 -5.248 -0.363 -0.146 205 HA HIS 25 HA HIS 25 -3.392 -2.651 -0.251 206 HB2 HIS 25 HB2 HIS 25 -5.237 -2.709 -2.241 207 HB3 HIS 25 HB3 HIS 25 -4.117 -1.550 -2.940 208 HD1 HIS 25 HD1 HIS 25 -4.655 -5.196 -2.881 209 HD2 HIS 25 HD2 HIS 25 -1.450 -2.447 -3.231 210 HE1 HIS 25 HE1 HIS 25 -2.709 -6.465 -3.928 211 HE2 HIS 25 HE2 HIS 25 -0.720 -4.841 -4.050 212 H PHE 26 H PHE 26 -1.283 -2.008 -0.656 213 HA PHE 26 HA PHE 26 -0.774 0.920 -0.914 214 HB2 PHE 26 HB2 PHE 26 0.128 -0.154 1.113 215 HB3 PHE 26 HB3 PHE 26 0.924 -1.376 0.138 216 HD1 PHE 26 HD1 PHE 26 0.731 2.418 0.142 217 HD2 PHE 26 HD2 PHE 26 3.241 -1.101 0.031 218 HE1 PHE 26 HE1 PHE 26 2.727 3.849 -0.045 219 HE2 PHE 26 HE2 PHE 26 5.247 0.349 -0.123 220 HZ PHE 26 HZ PHE 26 4.996 2.810 -0.180 221 H VAL 27 H VAL 27 0.113 1.741 -2.724 222 HA VAL 27 HA VAL 27 1.092 -0.157 -4.828 223 HB VAL 27 HB VAL 27 0.170 2.709 -5.133 224 HG11 VAL 27 HG11 VAL 27 1.803 2.094 -6.844 225 HG12 VAL 27 HG12 VAL 27 0.898 0.612 -7.215 226 HG13 VAL 27 HG13 VAL 27 0.190 2.207 -7.555 227 HG21 VAL 27 HG21 VAL 27 -1.728 1.185 -4.616 228 HG22 VAL 27 HG22 VAL 27 -1.782 1.807 -6.265 229 HG23 VAL 27 HG23 VAL 27 -1.227 0.142 -5.964 230 H GLY 28 H GLY 28 1.959 3.113 -3.468 231 HA2 GLY 28 HA2 GLY 28 4.786 2.616 -3.568 232 HA3 GLY 28 HA3 GLY 28 4.262 3.414 -5.056 233 H VAL 29 H VAL 29 5.882 4.927 -4.180 234 HA VAL 29 HA VAL 29 4.809 6.908 -2.202 235 HB VAL 29 HB VAL 29 7.695 5.950 -2.412 236 HG11 VAL 29 HG11 VAL 29 6.254 7.786 -0.458 237 HG12 VAL 29 HG12 VAL 29 7.925 7.197 -0.259 238 HG13 VAL 29 HG13 VAL 29 7.527 8.248 -1.623 239 HG21 VAL 29 HG21 VAL 29 5.558 5.295 -0.343 240 HG22 VAL 29 HG22 VAL 29 6.383 4.152 -1.435 241 HG23 VAL 29 HG23 VAL 29 7.299 4.955 -0.165 242 H GLY 30 H GLY 30 4.720 8.942 -2.998 243 HA2 GLY 30 HA2 GLY 30 5.053 10.758 -4.380 244 HA3 GLY 30 HA3 GLY 30 6.651 10.128 -4.739 245 H SER 31 H SER 31 4.402 7.809 -5.639 246 HA SER 31 HA SER 31 3.528 8.626 -8.234 247 HB2 SER 31 HB2 SER 31 5.016 7.291 -9.625 248 HB3 SER 31 HB3 SER 31 5.946 8.512 -8.755 249 HG SER 31 HG SER 31 6.983 6.490 -8.666 250 H CYS 32 H CYS 32 2.653 6.731 -9.464 251 HA CYS 32 HA CYS 32 1.816 4.452 -7.722 252 HB2 CYS 32 HB2 CYS 32 0.555 5.635 -10.210 253 HB3 CYS 32 HB3 CYS 32 -0.023 4.206 -9.364 254 H GLY 33 H GLY 33 3.053 2.722 -8.027 255 HA2 GLY 33 HA2 GLY 33 4.553 2.216 -10.524 256 HA3 GLY 33 HA3 GLY 33 4.715 1.373 -8.988 257 H SER 34 H SER 34 2.601 1.733 -11.811 258 HA SER 34 HA SER 34 1.159 -0.792 -11.311 259 HB2 SER 34 HB2 SER 34 0.137 1.319 -12.285 260 HB3 SER 34 HB3 SER 34 1.012 0.956 -13.787 261 HG SER 34 HG SER 34 -1.162 0.103 -13.702 262 H GLY 35 H GLY 35 0.846 -2.191 -13.378 263 HA2 GLY 35 HA2 GLY 35 2.847 -2.707 -15.284 264 HA3 GLY 35 HA3 GLY 35 3.256 -3.686 -13.869 265 H GLY 36 H GLY 36 2.885 -5.199 -15.870 266 HA2 GLY 36 HA2 GLY 36 0.102 -6.338 -15.797 267 HA3 GLY 36 HA3 GLY 36 0.971 -6.090 -17.309 268 H SER 37 H SER 37 1.636 -7.535 -14.106 269 HA SER 37 HA SER 37 2.507 -10.106 -15.357 270 HB2 SER 37 HB2 SER 37 4.061 -8.557 -13.242 271 HB3 SER 37 HB3 SER 37 4.458 -10.180 -13.826 272 HG SER 37 HG SER 37 4.743 -9.262 -15.929 273 H GLY 38 H GLY 38 2.617 -11.894 -13.840 274 HA2 GLY 38 HA2 GLY 38 0.266 -12.040 -12.153 275 HA3 GLY 38 HA3 GLY 38 1.391 -13.336 -12.534 276 H ILE 39 H ILE 39 2.454 -10.354 -11.023 277 HA ILE 39 HA ILE 39 3.874 -11.738 -8.926 278 HB ILE 39 HB ILE 39 3.272 -8.776 -9.222 279 HG12 ILE 39 HG12 ILE 39 5.748 -10.346 -10.115 280 HG13 ILE 39 HG13 ILE 39 4.479 -9.804 -11.204 281 HG21 ILE 39 HG21 ILE 39 5.419 -10.203 -7.595 282 HG22 ILE 39 HG22 ILE 39 5.280 -8.444 -7.786 283 HG23 ILE 39 HG23 ILE 39 4.020 -9.304 -6.941 284 HD11 ILE 39 HD11 ILE 39 6.265 -8.263 -11.417 285 HD12 ILE 39 HD12 ILE 39 4.955 -7.427 -10.557 286 HD13 ILE 39 HD13 ILE 39 6.387 -8.017 -9.672 287 H PHE 40 H PHE 40 3.447 -11.970 -6.821 288 HA PHE 40 HA PHE 40 1.063 -10.836 -5.508 289 HB2 PHE 40 HB2 PHE 40 0.564 -13.091 -6.846 290 HB3 PHE 40 HB3 PHE 40 1.260 -13.842 -5.424 291 HD1 PHE 40 HD2 PHE 40 -1.446 -11.665 -6.729 292 HD2 PHE 40 HD1 PHE 40 -0.006 -13.840 -3.301 293 HE1 PHE 40 HE2 PHE 40 -3.656 -11.371 -5.620 294 HE2 PHE 40 HE1 PHE 40 -2.213 -13.536 -2.184 295 HZ PHE 40 HZ PHE 40 -4.037 -12.302 -3.342 296 H LEU 41 H LEU 41 4.200 -11.318 -5.250 297 HA LEU 41 HA LEU 41 4.660 -12.650 -2.780 298 HB2 LEU 41 HB2 LEU 41 6.869 -11.523 -2.894 299 HB3 LEU 41 HB3 LEU 41 6.380 -12.386 -4.348 300 HG LEU 41 HG LEU 41 5.656 -9.963 -5.183 301 HD11 LEU 41 HD11 LEU 41 6.207 -8.740 -3.097 302 HD12 LEU 41 HD12 LEU 41 7.189 -8.218 -4.461 303 HD13 LEU 41 HD13 LEU 41 7.886 -9.296 -3.227 304 HD21 LEU 41 HD21 LEU 41 7.354 -11.398 -6.240 305 HD22 LEU 41 HD22 LEU 41 8.555 -10.866 -5.042 306 HD23 LEU 41 HD23 LEU 41 7.869 -9.707 -6.205 307 H GLU 42 H GLU 42 3.766 -9.454 -3.427 308 HA GLU 42 HA GLU 42 4.136 -8.129 -0.907 309 HB2 GLU 42 HB2 GLU 42 2.447 -6.530 -1.719 310 HB3 GLU 42 HB3 GLU 42 3.643 -6.928 -2.954 311 HG2 GLU 42 HG2 GLU 42 1.852 -8.666 -3.805 312 HG3 GLU 42 HG3 GLU 42 0.732 -7.761 -2.789 313 H THR 43 H THR 43 2.492 -7.460 0.676 314 HA THR 43 HA THR 43 1.128 -9.575 1.928 315 HB THR 43 HB THR 43 0.531 -6.606 2.134 316 HG1 THR 43 HG1 THR 43 2.419 -8.213 3.504 317 HG21 THR 43 HG21 THR 43 -0.045 -7.139 4.501 318 HG22 THR 43 HG22 THR 43 0.150 -8.869 4.146 319 HG23 THR 43 HG23 THR 43 -1.137 -7.929 3.356 320 H SER 44 H SER 44 -0.024 -7.402 -0.552 321 HA SER 44 HA SER 44 -1.997 -7.059 -1.611 322 HB2 SER 44 HB2 SER 44 -1.059 -9.315 -2.393 323 HB3 SER 44 HB3 SER 44 -2.401 -10.049 -1.502 324 HG SER 44 HG SER 44 -2.944 -9.593 -3.689 325 H LEU 45 H LEU 45 -2.589 -6.131 0.585 326 HA LEU 45 HA LEU 45 -4.384 -7.370 2.370 327 HB2 LEU 45 HB2 LEU 45 -3.834 -4.441 1.760 328 HB3 LEU 45 HB3 LEU 45 -4.979 -4.925 2.987 329 HG LEU 45 HG LEU 45 -2.817 -6.424 3.769 330 HD11 LEU 45 HD11 LEU 45 -1.359 -5.450 1.965 331 HD12 LEU 45 HD12 LEU 45 -0.800 -4.988 3.582 332 HD13 LEU 45 HD13 LEU 45 -1.692 -3.826 2.588 333 HD21 LEU 45 HD21 LEU 45 -4.101 -4.876 5.191 334 HD22 LEU 45 HD22 LEU 45 -3.302 -3.505 4.395 335 HD23 LEU 45 HD23 LEU 45 -2.360 -4.634 5.401 336 H SER 46 H SER 46 -5.178 -6.328 -0.739 337 HA SER 46 HA SER 46 -8.005 -5.753 -0.481 338 HB2 SER 46 HB2 SER 46 -7.927 -6.632 -2.954 339 HB3 SER 46 HB3 SER 46 -7.185 -5.080 -2.519 340 HG SER 46 HG SER 46 -6.014 -7.412 -3.414 341 H ALA 47 H ALA 47 -6.206 -8.719 -0.628 342 HA ALA 47 HA ALA 47 -8.741 -10.272 -0.207 343 HB1 ALA 47 HB1 ALA 47 -7.866 -10.731 -2.424 344 HB2 ALA 47 HB2 ALA 47 -6.283 -11.173 -1.732 345 HB3 ALA 47 HB3 ALA 47 -7.727 -12.149 -1.362 346 H GLY 48 H GLY 48 -8.840 -10.629 1.835 347 HA2 GLY 48 HA2 GLY 48 -8.355 -12.065 3.693 348 HA3 GLY 48 HA3 GLY 48 -6.647 -12.047 3.287 349 H SER 49 H SER 49 -7.545 -8.837 3.099 350 HA SER 49 HA SER 49 -7.456 -8.280 6.014 351 HB2 SER 49 HB2 SER 49 -5.680 -6.786 4.081 352 HB3 SER 49 HB3 SER 49 -5.718 -6.653 5.829 353 HG SER 49 HG SER 49 -5.007 -8.897 5.876 354 H ASP 50 H ASP 50 -7.285 -5.436 5.753 355 HA ASP 50 HA ASP 50 -9.481 -4.480 4.156 356 HB2 ASP 50 HB2 ASP 50 -10.531 -5.620 6.245 357 HB3 ASP 50 HB3 ASP 50 -9.716 -4.369 7.193 358 H TRP 51 H TRP 51 -9.775 -2.145 4.727 359 HA TRP 51 HA TRP 51 -7.445 -0.512 4.932 360 HB2 TRP 51 HB2 TRP 51 -9.132 0.661 4.023 361 HB3 TRP 51 HB3 TRP 51 -10.385 -0.172 4.906 362 HD1 TRP 51 HD1 TRP 51 -11.385 0.990 6.953 363 HE1 TRP 51 HE1 TRP 51 -11.005 3.269 8.135 364 HE3 TRP 51 HE3 TRP 51 -6.926 2.258 4.835 365 HZ2 TRP 51 HZ2 TRP 51 -8.999 5.340 8.147 366 HZ3 TRP 51 HZ3 TRP 51 -5.753 4.347 5.491 367 HH2 TRP 51 HH2 TRP 51 -6.789 5.911 7.106 368 H LEU 52 H LEU 52 -9.684 -1.761 7.416 369 HA LEU 52 HA LEU 52 -8.821 -0.184 9.590 370 HB2 LEU 52 HB2 LEU 52 -10.758 -2.058 9.198 371 HB3 LEU 52 HB3 LEU 52 -9.627 -3.023 10.116 372 HG LEU 52 HG LEU 52 -11.316 -2.088 11.539 373 HD11 LEU 52 HD11 LEU 52 -9.021 -2.225 12.502 374 HD12 LEU 52 HD12 LEU 52 -10.036 -0.984 13.257 375 HD13 LEU 52 HD13 LEU 52 -8.780 -0.507 12.102 376 HD21 LEU 52 HD21 LEU 52 -11.924 -0.126 10.158 377 HD22 LEU 52 HD22 LEU 52 -10.462 0.714 10.719 378 HD23 LEU 52 HD23 LEU 52 -11.727 0.264 11.875 379 H THR 53 H THR 53 -7.523 -3.320 8.460 380 HA THR 53 HA THR 53 -5.333 -3.270 10.440 381 HB THR 53 HB THR 53 -4.627 -5.377 9.236 382 HG1 THR 53 HG1 THR 53 -6.372 -6.329 8.045 383 HG21 THR 53 HG21 THR 53 -5.969 -5.392 11.326 384 HG22 THR 53 HG22 THR 53 -6.391 -6.738 10.255 385 HG23 THR 53 HG23 THR 53 -7.462 -5.323 10.363 386 H PHE 54 H PHE 54 -5.733 -2.442 7.029 387 HA PHE 54 HA PHE 54 -3.079 -2.279 6.142 388 HB2 PHE 54 HB2 PHE 54 -4.982 -1.868 4.679 389 HB3 PHE 54 HB3 PHE 54 -5.487 -0.514 5.664 390 HD1 PHE 54 HD2 PHE 54 -4.523 1.683 5.525 391 HD2 PHE 54 HD1 PHE 54 -3.135 -1.560 3.041 392 HE1 PHE 54 HE2 PHE 54 -3.342 3.313 4.061 393 HE2 PHE 54 HE1 PHE 54 -1.979 0.077 1.584 394 HZ PHE 54 HZ PHE 54 -2.033 2.500 2.124 395 H GLN 55 H GLN 55 -4.809 0.111 8.083 396 HA GLN 55 HA GLN 55 -2.738 2.057 8.337 397 HB2 GLN 55 HB2 GLN 55 -4.944 1.200 10.247 398 HB3 GLN 55 HB3 GLN 55 -3.919 2.614 10.518 399 HG2 GLN 55 HG2 GLN 55 -4.823 3.798 8.695 400 HG3 GLN 55 HG3 GLN 55 -5.445 2.340 7.913 401 HE21 GLN 55 HE21 GLN 55 -7.391 1.415 8.574 402 HE22 GLN 55 HE22 GLN 55 -8.470 2.282 9.656 403 H LYS 56 H LYS 56 -3.636 -0.462 10.690 404 HA LYS 56 HA LYS 56 -1.322 -0.201 12.353 405 HB2 LYS 56 HB2 LYS 56 -3.028 -2.697 11.962 406 HB3 LYS 56 HB3 LYS 56 -1.969 -2.364 13.330 407 HG2 LYS 56 HG2 LYS 56 -4.526 -0.869 12.605 408 HG3 LYS 56 HG3 LYS 56 -4.265 -1.963 13.963 409 HD2 LYS 56 HD2 LYS 56 -2.539 -0.365 14.868 410 HD3 LYS 56 HD3 LYS 56 -2.960 0.763 13.557 411 HE2 LYS 56 HE2 LYS 56 -5.310 0.809 14.347 412 HE3 LYS 56 HE3 LYS 56 -4.897 -0.308 15.654 413 HZ1 LYS 56 HZ1 LYS 56 -3.753 2.417 15.323 414 HZ2 LYS 56 HZ2 LYS 56 -3.370 1.381 16.529 415 HZ3 LYS 56 HZ3 LYS 56 -4.878 1.993 16.426 416 H LYS 57 H LYS 57 -1.555 -1.900 9.374 417 HA LYS 57 HA LYS 57 0.794 -3.545 9.608 418 HB2 LYS 57 HB2 LYS 57 -1.158 -3.730 7.983 419 HB3 LYS 57 HB3 LYS 57 -0.404 -2.487 7.011 420 HG2 LYS 57 HG2 LYS 57 0.950 -5.112 7.795 421 HG3 LYS 57 HG3 LYS 57 -0.062 -4.927 6.365 422 HD2 LYS 57 HD2 LYS 57 1.487 -3.167 5.497 423 HD3 LYS 57 HD3 LYS 57 2.566 -3.487 6.878 424 HE2 LYS 57 HE2 LYS 57 2.715 -5.874 6.202 425 HE3 LYS 57 HE3 LYS 57 1.683 -5.541 4.808 426 HZ1 LYS 57 HZ1 LYS 57 3.999 -5.511 4.180 427 HZ2 LYS 57 HZ2 LYS 57 4.367 -4.346 5.274 428 HZ3 LYS 57 HZ3 LYS 57 3.400 -4.009 3.991 429 H HIS 58 H HIS 58 0.481 -0.312 7.948 430 HA HIS 58 HA HIS 58 3.381 0.133 8.512 431 HB2 HIS 58 HB2 HIS 58 4.004 0.388 6.265 432 HB3 HIS 58 HB3 HIS 58 3.146 -1.138 6.342 433 HD1 HIS 58 HD1 HIS 58 3.159 2.100 4.595 434 HD2 HIS 58 HD2 HIS 58 0.319 -0.871 5.574 435 HE1 HIS 58 HE1 HIS 58 1.029 2.555 3.149 436 HE2 HIS 58 HE2 HIS 58 -0.680 0.742 3.791 437 H ILE 59 H ILE 59 0.846 1.516 9.330 438 HA ILE 59 HA ILE 59 1.717 4.296 8.629 439 HB ILE 59 HB ILE 59 -1.189 3.472 8.935 440 HG12 ILE 59 HG12 ILE 59 0.552 3.858 6.487 441 HG13 ILE 59 HG13 ILE 59 -0.531 2.530 6.864 442 HG21 ILE 59 HG21 ILE 59 -0.002 6.120 8.036 443 HG22 ILE 59 HG22 ILE 59 -1.725 5.739 8.231 444 HG23 ILE 59 HG23 ILE 59 -0.711 5.815 9.640 445 HD11 ILE 59 HD11 ILE 59 -1.356 5.332 6.001 446 HD12 ILE 59 HD12 ILE 59 -1.397 3.857 5.044 447 HD13 ILE 59 HD13 ILE 59 -2.484 4.021 6.449 448 H THR 60 H THR 60 1.571 5.783 10.281 449 HA THR 60 HA THR 60 0.597 4.860 12.937 450 HB THR 60 HB THR 60 2.894 4.123 12.984 451 HG1 THR 60 HG1 THR 60 3.476 5.298 14.845 452 HG21 THR 60 HG21 THR 60 3.716 7.032 12.563 453 HG22 THR 60 HG22 THR 60 3.959 5.708 11.401 454 HG23 THR 60 HG23 THR 60 4.783 5.669 12.964 455 H ASN 61 H ASN 61 0.240 6.422 14.481 456 HA ASN 61 HA ASN 61 -0.260 9.172 13.541 457 HB2 ASN 61 HB2 ASN 61 -1.476 9.361 15.649 458 HB3 ASN 61 HB3 ASN 61 -2.052 7.985 14.725 459 HD21 ASN 61 HD21 ASN 61 -1.926 5.900 15.695 460 HD22 ASN 61 HD22 ASN 61 -1.230 5.688 17.295 461 H THR 62 H THR 62 2.356 7.505 14.776 462 HA THR 62 HA THR 62 3.836 9.924 15.347 463 HB THR 62 HB THR 62 2.781 9.749 17.493 464 HG1 THR 62 HG1 THR 62 4.826 10.438 17.634 465 HG21 THR 62 HG21 THR 62 3.990 7.011 17.979 466 HG22 THR 62 HG22 THR 62 2.294 7.265 17.516 467 HG23 THR 62 HG23 THR 62 2.922 7.955 19.023 468 H ARG 63 H ARG 63 5.531 9.475 14.036 469 HA ARG 63 HA ARG 63 6.727 6.818 13.766 470 HB2 ARG 63 HB2 ARG 63 6.928 8.399 11.904 471 HB3 ARG 63 HB3 ARG 63 7.793 9.549 12.947 472 HG2 ARG 63 HG2 ARG 63 9.614 7.773 13.208 473 HG3 ARG 63 HG3 ARG 63 8.675 6.741 12.119 474 HD2 ARG 63 HD2 ARG 63 10.349 7.776 10.816 475 HD3 ARG 63 HD3 ARG 63 8.814 8.562 10.395 476 HE ARG 63 HE ARG 63 10.389 9.892 12.510 477 HH11 ARG 63 HH11 ARG 63 9.778 9.944 9.060 478 HH12 ARG 63 HH12 ARG 63 10.513 11.512 8.877 479 HH21 ARG 63 HH21 ARG 63 11.320 11.857 12.199 480 HH22 ARG 63 HH22 ARG 63 11.382 12.543 10.605 481 H ASP 64 H ASP 64 7.543 5.917 15.487 482 HA ASP 64 HA ASP 64 9.724 7.299 17.012 483 HB2 ASP 64 HB2 ASP 64 7.523 7.003 18.229 484 HB3 ASP 64 HB3 ASP 64 7.748 5.261 18.096 485 H VAL 65 H VAL 65 9.502 5.181 14.666 486 HA VAL 65 HA VAL 65 10.677 2.759 15.769 487 HB VAL 65 HB VAL 65 10.263 3.599 12.868 488 HG11 VAL 65 HG11 VAL 65 10.343 1.056 12.536 489 HG12 VAL 65 HG12 VAL 65 11.887 1.832 12.869 490 HG13 VAL 65 HG13 VAL 65 11.022 0.948 14.161 491 HG21 VAL 65 HG21 VAL 65 8.296 2.097 12.984 492 HG22 VAL 65 HG22 VAL 65 8.593 1.827 14.714 493 HG23 VAL 65 HG23 VAL 65 8.123 3.433 14.114 494 H ASP 66 H ASP 66 12.697 2.024 15.696 495 HA ASP 66 HA ASP 66 14.915 3.742 14.638 496 HB2 ASP 66 HB2 ASP 66 14.497 3.755 17.148 497 HB3 ASP 66 HB3 ASP 66 14.958 2.051 17.151 498 H CYS 67 H CYS 67 13.441 1.004 13.906 499 HA CYS 67 HA CYS 67 13.880 -0.993 12.957 500 HB2 CYS 67 HB2 CYS 67 16.304 0.363 11.805 501 HB3 CYS 67 HB3 CYS 67 15.299 -0.895 11.082 502 H ASP 68 H ASP 68 14.646 -1.126 15.511 503 HA ASP 68 HA ASP 68 16.521 -3.368 15.570 504 HB2 ASP 68 HB2 ASP 68 17.205 -0.680 16.736 505 HB3 ASP 68 HB3 ASP 68 17.561 -2.088 17.725 506 H ASN 69 H ASN 69 14.076 -1.395 17.209 507 HA ASN 69 HA ASN 69 13.707 -3.481 19.275 508 HB2 ASN 69 HB2 ASN 69 12.336 -1.912 20.452 509 HB3 ASN 69 HB3 ASN 69 13.916 -1.225 20.096 510 HD21 ASN 69 HD21 ASN 69 14.049 0.555 18.757 511 HD22 ASN 69 HD22 ASN 69 12.603 1.421 18.226 512 H ILE 70 H ILE 70 12.492 -2.807 16.190 513 HA ILE 70 HA ILE 70 9.727 -3.327 16.506 514 HB ILE 70 HB ILE 70 9.658 -3.622 14.129 515 HG12 ILE 70 HG12 ILE 70 12.681 -3.942 14.270 516 HG13 ILE 70 HG13 ILE 70 11.483 -5.048 13.576 517 HG21 ILE 70 HG21 ILE 70 11.663 -1.442 14.801 518 HG22 ILE 70 HG22 ILE 70 10.394 -1.426 13.552 519 HG23 ILE 70 HG23 ILE 70 9.947 -1.383 15.257 520 HD11 ILE 70 HD11 ILE 70 12.636 -3.938 11.788 521 HD12 ILE 70 HD12 ILE 70 10.963 -3.322 11.836 522 HD13 ILE 70 HD13 ILE 70 12.301 -2.348 12.490 523 H MET 71 H MET 71 12.161 -5.459 17.042 524 HA MET 71 HA MET 71 10.914 -8.023 16.565 525 HB2 MET 71 HB2 MET 71 12.233 -8.859 18.416 526 HB3 MET 71 HB3 MET 71 13.218 -7.832 17.381 527 HG2 MET 71 HG2 MET 71 13.004 -5.971 18.997 528 HG3 MET 71 HG3 MET 71 11.944 -6.956 20.009 529 HE1 MET 71 HE1 MET 71 15.030 -6.687 22.295 530 HE2 MET 71 HE2 MET 71 14.353 -5.431 21.234 531 HE3 MET 71 HE3 MET 71 13.270 -6.505 22.146 532 H SER 72 H SER 72 10.107 -5.457 18.814 533 HA SER 72 HA SER 72 8.238 -7.142 20.379 534 HB2 SER 72 HB2 SER 72 9.905 -5.490 21.373 535 HB3 SER 72 HB3 SER 72 8.885 -4.196 20.728 536 HG SER 72 HG SER 72 7.132 -5.158 21.962 537 H THR 73 H THR 73 8.039 -5.041 17.634 538 HA THR 73 HA THR 73 5.148 -4.439 18.059 539 HB THR 73 HB THR 73 5.306 -2.945 16.172 540 HG1 THR 73 HG1 THR 73 7.404 -2.563 15.276 541 HG21 THR 73 HG21 THR 73 6.010 -2.041 18.393 542 HG22 THR 73 HG22 THR 73 6.798 -1.231 17.028 543 HG23 THR 73 HG23 THR 73 7.700 -2.418 17.989 544 H ASN 74 H ASN 74 3.976 -4.548 15.720 545 HA ASN 74 HA ASN 74 3.885 -7.355 15.078 546 HB2 ASN 74 HB2 ASN 74 2.081 -6.849 13.679 547 HB3 ASN 74 HB3 ASN 74 1.933 -5.825 15.098 548 HD21 ASN 74 HD21 ASN 74 1.733 -3.548 14.737 549 HD22 ASN 74 HD22 ASN 74 1.742 -2.935 13.084 550 H LEU 75 H LEU 75 5.972 -4.992 13.913 551 HA LEU 75 HA LEU 75 6.461 -6.065 11.241 552 HB2 LEU 75 HB2 LEU 75 7.827 -3.938 12.935 553 HB3 LEU 75 HB3 LEU 75 8.216 -4.267 11.273 554 HG LEU 75 HG LEU 75 6.959 -2.414 11.062 555 HD11 LEU 75 HD11 LEU 75 4.838 -4.558 10.764 556 HD12 LEU 75 HD12 LEU 75 6.098 -4.167 9.566 557 HD13 LEU 75 HD13 LEU 75 4.870 -2.971 10.006 558 HD21 LEU 75 HD21 LEU 75 6.166 -2.166 13.355 559 HD22 LEU 75 HD22 LEU 75 4.888 -3.368 13.060 560 HD23 LEU 75 HD23 LEU 75 4.887 -1.843 12.178 561 H PHE 76 H PHE 76 7.157 -7.668 13.817 562 HA PHE 76 HA PHE 76 9.989 -7.839 14.112 563 HB2 PHE 76 HB2 PHE 76 9.552 -9.624 15.590 564 HB3 PHE 76 HB3 PHE 76 8.307 -8.414 15.846 565 HD1 PHE 76 HD2 PHE 76 5.947 -8.865 14.968 566 HD2 PHE 76 HD1 PHE 76 9.033 -11.866 14.937 567 HE1 PHE 76 HE2 PHE 76 4.219 -10.625 14.740 568 HE2 PHE 76 HE1 PHE 76 7.300 -13.637 14.710 569 HZ PHE 76 HZ PHE 76 4.893 -13.020 14.623 570 H HIS 77 H HIS 77 8.101 -9.007 11.689 571 HA HIS 77 HA HIS 77 8.976 -11.634 11.134 572 HB2 HIS 77 HB2 HIS 77 7.930 -9.443 9.297 573 HB3 HIS 77 HB3 HIS 77 7.960 -11.165 8.883 574 HD1 HIS 77 HD1 HIS 77 6.550 -12.659 11.059 575 HD2 HIS 77 HD2 HIS 77 5.606 -8.654 10.068 576 HE1 HIS 77 HE1 HIS 77 4.195 -12.205 11.990 577 HE2 HIS 77 HE2 HIS 77 3.642 -9.750 11.399 578 H CYS 78 H CYS 78 10.968 -9.006 10.978 579 HA CYS 78 HA CYS 78 12.601 -8.142 9.606 580 HB2 CYS 78 HB2 CYS 78 13.810 -9.720 10.952 581 HB3 CYS 78 HB3 CYS 78 13.557 -10.997 9.762 582 H LYS 79 H LYS 79 10.617 -8.055 8.163 583 HA LYS 79 HA LYS 79 10.876 -9.150 5.469 584 HB2 LYS 79 HB2 LYS 79 9.256 -7.260 4.906 585 HB3 LYS 79 HB3 LYS 79 8.722 -8.513 6.009 586 HG2 LYS 79 HG2 LYS 79 7.908 -6.443 6.815 587 HG3 LYS 79 HG3 LYS 79 9.101 -7.034 7.950 588 HD2 LYS 79 HD2 LYS 79 10.267 -5.242 5.909 589 HD3 LYS 79 HD3 LYS 79 8.927 -4.502 6.733 590 HE2 LYS 79 HE2 LYS 79 11.357 -5.717 8.156 591 HE3 LYS 79 HE3 LYS 79 11.214 -4.025 7.707 592 HZ1 LYS 79 HZ1 LYS 79 9.467 -5.456 9.639 593 HZ2 LYS 79 HZ2 LYS 79 9.177 -3.919 9.120 594 HZ3 LYS 79 HZ3 LYS 79 10.542 -4.280 9.962 595 H ASP 80 H ASP 80 11.413 -7.895 3.586 596 HA ASP 80 HA ASP 80 14.069 -6.917 3.759 597 HB2 ASP 80 HB2 ASP 80 12.060 -6.651 1.479 598 HB3 ASP 80 HB3 ASP 80 13.798 -6.406 1.335 599 H LYS 81 H LYS 81 11.079 -5.079 3.496 600 HA LYS 81 HA LYS 81 12.262 -2.793 4.745 601 HB2 LYS 81 HB2 LYS 81 11.556 -1.130 2.905 602 HB3 LYS 81 HB3 LYS 81 13.054 -2.010 2.671 603 HG2 LYS 81 HG2 LYS 81 12.111 -3.494 1.087 604 HG3 LYS 81 HG3 LYS 81 10.457 -2.944 1.406 605 HD2 LYS 81 HD2 LYS 81 12.603 -1.048 0.392 606 HD3 LYS 81 HD3 LYS 81 11.742 -2.087 -0.729 607 HE2 LYS 81 HE2 LYS 81 10.298 -0.195 1.181 608 HE3 LYS 81 HE3 LYS 81 10.882 0.316 -0.401 609 HZ1 LYS 81 HZ1 LYS 81 8.576 -0.398 -0.516 610 HZ2 LYS 81 HZ2 LYS 81 8.947 -1.897 0.016 611 HZ3 LYS 81 HZ3 LYS 81 9.502 -1.382 -1.433 612 H ASN 82 H ASN 82 10.763 -1.201 5.359 613 HA ASN 82 HA ASN 82 7.885 -1.770 4.881 614 HB2 ASN 82 HB2 ASN 82 8.935 -2.444 7.297 615 HB3 ASN 82 HB3 ASN 82 8.694 -0.744 7.601 616 HD21 ASN 82 HD21 ASN 82 6.864 -0.683 8.906 617 HD22 ASN 82 HD22 ASN 82 5.416 -1.623 8.546 618 H THR 83 H THR 83 6.850 -0.011 4.181 619 HA THR 83 HA THR 83 8.193 2.635 4.332 620 HB THR 83 HB THR 83 5.739 1.762 2.741 621 HG1 THR 83 HG1 THR 83 8.464 2.108 2.025 622 HG21 THR 83 HG21 THR 83 6.085 3.830 1.518 623 HG22 THR 83 HG22 THR 83 7.516 4.224 2.506 624 HG23 THR 83 HG23 THR 83 5.892 4.219 3.223 625 H PHE 84 H PHE 84 7.781 3.384 6.377 626 HA PHE 84 HA PHE 84 5.096 3.293 7.562 627 HB2 PHE 84 HB2 PHE 84 7.606 4.617 8.539 628 HB3 PHE 84 HB3 PHE 84 6.077 4.614 9.393 629 HD1 PHE 84 HD1 PHE 84 5.034 2.125 9.731 630 HD2 PHE 84 HD2 PHE 84 9.202 3.138 9.258 631 HE1 PHE 84 HE1 PHE 84 5.669 0.093 11.005 632 HE2 PHE 84 HE2 PHE 84 9.840 0.998 10.364 633 HZ PHE 84 HZ PHE 84 8.067 -0.493 11.323 634 H ILE 85 H ILE 85 3.609 4.750 7.305 635 HA ILE 85 HA ILE 85 4.188 7.470 6.173 636 HB ILE 85 HB ILE 85 1.672 5.782 6.294 637 HG12 ILE 85 HG12 ILE 85 3.203 6.721 3.823 638 HG13 ILE 85 HG13 ILE 85 3.450 5.143 4.571 639 HG21 ILE 85 HG21 ILE 85 1.101 8.177 6.531 640 HG22 ILE 85 HG22 ILE 85 1.991 8.541 5.036 641 HG23 ILE 85 HG23 ILE 85 0.528 7.523 5.013 642 HD11 ILE 85 HD11 ILE 85 1.928 4.816 2.773 643 HD12 ILE 85 HD12 ILE 85 1.014 4.650 4.295 644 HD13 ILE 85 HD13 ILE 85 0.869 6.126 3.318 645 H TYR 86 H TYR 86 4.428 8.980 7.794 646 HA TYR 86 HA TYR 86 2.850 8.716 10.280 647 HB2 TYR 86 HB2 TYR 86 5.154 9.278 10.519 648 HB3 TYR 86 HB3 TYR 86 4.980 10.628 9.419 649 HD1 TYR 86 HD2 TYR 86 2.274 10.145 11.934 650 HD2 TYR 86 HD1 TYR 86 6.084 12.023 11.123 651 HE1 TYR 86 HE2 TYR 86 1.871 11.768 13.740 652 HE2 TYR 86 HE1 TYR 86 5.682 13.619 12.991 653 HH TYR 86 HH TYR 86 2.670 13.544 14.930 654 H SER 87 H SER 87 0.799 8.840 9.374 655 HA SER 87 HA SER 87 -0.189 11.615 8.929 656 HB2 SER 87 HB2 SER 87 -0.931 9.233 7.175 657 HB3 SER 87 HB3 SER 87 -1.701 10.827 7.130 658 HG SER 87 HG SER 87 -0.117 10.680 5.537 659 H ARG 88 H ARG 88 -2.438 11.883 9.306 660 HA ARG 88 HA ARG 88 -3.791 10.087 11.210 661 HB2 ARG 88 HB2 ARG 88 -4.552 12.656 9.723 662 HB3 ARG 88 HB3 ARG 88 -5.680 11.821 10.771 663 HG2 ARG 88 HG2 ARG 88 -2.973 12.914 11.668 664 HG3 ARG 88 HG3 ARG 88 -4.511 13.748 11.863 665 HD2 ARG 88 HD2 ARG 88 -3.814 11.052 13.102 666 HD3 ARG 88 HD3 ARG 88 -3.756 12.608 13.920 667 HE ARG 88 HE ARG 88 -6.312 12.660 13.099 668 HH11 ARG 88 HH11 ARG 88 -4.681 10.019 14.712 669 HH12 ARG 88 HH12 ARG 88 -6.173 9.374 15.339 670 HH21 ARG 88 HH21 ARG 88 -8.151 11.772 13.858 671 HH22 ARG 88 HH22 ARG 88 -8.089 10.395 14.918 672 HA PRO 89 HA PRO 89 -5.915 7.714 8.166 673 HB2 PRO 89 HB2 PRO 89 -8.422 7.288 9.237 674 HB3 PRO 89 HB3 PRO 89 -6.921 6.510 9.825 675 HG2 PRO 89 HG2 PRO 89 -8.317 8.961 10.924 676 HG3 PRO 89 HG3 PRO 89 -7.687 7.547 11.826 677 HD2 PRO 89 HD2 PRO 89 -6.277 9.855 11.617 678 HD3 PRO 89 HD3 PRO 89 -5.455 8.270 11.577 679 H GLU 90 H GLU 90 -7.302 10.838 8.965 680 HA GLU 90 HA GLU 90 -9.498 10.848 7.119 681 HB2 GLU 90 HB2 GLU 90 -7.966 13.011 8.574 682 HB3 GLU 90 HB3 GLU 90 -9.110 13.423 7.298 683 HG2 GLU 90 HG2 GLU 90 -10.224 13.564 9.418 684 HG3 GLU 90 HG3 GLU 90 -10.917 12.261 8.464 685 HA PRO 91 HA PRO 91 -6.769 12.923 3.808 686 HB2 PRO 91 HB2 PRO 91 -4.022 12.997 4.060 687 HB3 PRO 91 HB3 PRO 91 -5.104 14.282 4.664 688 HG2 PRO 91 HG2 PRO 91 -3.869 11.974 6.184 689 HG3 PRO 91 HG3 PRO 91 -3.951 13.700 6.667 690 HD2 PRO 91 HD2 PRO 91 -5.692 11.864 7.608 691 HD3 PRO 91 HD3 PRO 91 -6.234 13.513 7.253 692 H VAL 92 H VAL 92 -6.358 9.957 5.145 693 HA VAL 92 HA VAL 92 -5.050 8.706 2.745 694 HB VAL 92 HB VAL 92 -5.645 7.434 5.440 695 HG11 VAL 92 HG11 VAL 92 -3.972 5.758 4.681 696 HG12 VAL 92 HG12 VAL 92 -5.380 5.815 3.614 697 HG13 VAL 92 HG13 VAL 92 -3.861 6.586 3.115 698 HG21 VAL 92 HG21 VAL 92 -2.954 8.487 4.490 699 HG22 VAL 92 HG22 VAL 92 -3.955 9.284 5.713 700 HG23 VAL 92 HG23 VAL 92 -3.306 7.679 6.028 701 H LYS 93 H LYS 93 -7.839 8.181 4.944 702 HA LYS 93 HA LYS 93 -9.141 6.377 3.117 703 HB2 LYS 93 HB2 LYS 93 -9.505 6.913 5.757 704 HB3 LYS 93 HB3 LYS 93 -10.839 7.857 5.086 705 HG2 LYS 93 HG2 LYS 93 -11.213 5.596 3.668 706 HG3 LYS 93 HG3 LYS 93 -10.347 4.875 5.029 707 HD2 LYS 93 HD2 LYS 93 -12.957 6.471 5.184 708 HD3 LYS 93 HD3 LYS 93 -12.786 4.718 5.182 709 HE2 LYS 93 HE2 LYS 93 -13.041 5.054 7.398 710 HE3 LYS 93 HE3 LYS 93 -11.284 5.007 7.244 711 HZ1 LYS 93 HZ1 LYS 93 -12.027 6.824 8.661 712 HZ2 LYS 93 HZ2 LYS 93 -12.905 7.483 7.457 713 HZ3 LYS 93 HZ3 LYS 93 -11.268 7.440 7.356 714 H ALA 94 H ALA 94 -9.578 9.853 3.679 715 HA ALA 94 HA ALA 94 -11.926 10.064 2.000 716 HB1 ALA 94 HB1 ALA 94 -11.805 12.416 2.513 717 HB2 ALA 94 HB2 ALA 94 -11.450 11.496 3.990 718 HB3 ALA 94 HB3 ALA 94 -10.127 12.264 3.068 719 H ILE 95 H ILE 95 -8.691 9.775 1.080 720 HA ILE 95 HA ILE 95 -8.484 11.399 -1.217 721 HB ILE 95 HB ILE 95 -7.571 8.507 -0.958 722 HG12 ILE 95 HG12 ILE 95 -5.978 11.052 -0.378 723 HG13 ILE 95 HG13 ILE 95 -6.720 10.054 0.863 724 HG21 ILE 95 HG21 ILE 95 -7.511 9.441 -3.319 725 HG22 ILE 95 HG22 ILE 95 -6.458 10.737 -2.737 726 HG23 ILE 95 HG23 ILE 95 -5.931 9.040 -2.689 727 HD11 ILE 95 HD11 ILE 95 -4.397 9.481 0.725 728 HD12 ILE 95 HD12 ILE 95 -5.344 8.104 0.147 729 HD13 ILE 95 HD13 ILE 95 -4.492 9.161 -1.006 730 H CYS 96 H CYS 96 -10.404 8.448 -0.695 731 HA CYS 96 HA CYS 96 -11.628 8.773 -3.406 732 HB2 CYS 96 HB2 CYS 96 -12.247 6.448 -3.256 733 HB3 CYS 96 HB3 CYS 96 -10.504 6.658 -3.110 734 H LYS 97 H LYS 97 -13.863 8.366 -3.607 735 HA LYS 97 HA LYS 97 -15.638 8.361 -1.284 736 HB2 LYS 97 HB2 LYS 97 -14.954 10.830 -1.720 737 HB3 LYS 97 HB3 LYS 97 -15.867 10.711 -3.214 738 HG2 LYS 97 HG2 LYS 97 -17.364 11.661 -1.671 739 HG3 LYS 97 HG3 LYS 97 -17.876 9.972 -1.750 740 HD2 LYS 97 HD2 LYS 97 -16.590 9.528 0.383 741 HD3 LYS 97 HD3 LYS 97 -16.067 11.212 0.380 742 HE2 LYS 97 HE2 LYS 97 -17.841 11.115 1.925 743 HE3 LYS 97 HE3 LYS 97 -18.488 11.919 0.494 744 HZ1 LYS 97 HZ1 LYS 97 -20.015 10.236 1.363 745 HZ2 LYS 97 HZ2 LYS 97 -18.908 9.055 1.196 746 HZ3 LYS 97 HZ3 LYS 97 -19.533 9.791 -0.128 747 H GLY 98 H GLY 98 -16.861 6.700 -1.870 748 HA2 GLY 98 HA2 GLY 98 -18.614 5.607 -2.990 749 HA3 GLY 98 HA3 GLY 98 -18.552 6.807 -4.270 750 H ILE 99 H ILE 99 -15.444 5.540 -3.762 751 HA ILE 99 HA ILE 99 -15.493 4.148 -6.316 752 HB ILE 99 HB ILE 99 -13.226 4.554 -4.333 753 HG12 ILE 99 HG12 ILE 99 -14.043 5.967 -6.918 754 HG13 ILE 99 HG13 ILE 99 -14.055 6.644 -5.293 755 HG21 ILE 99 HG21 ILE 99 -13.230 3.424 -7.183 756 HG22 ILE 99 HG22 ILE 99 -11.781 3.847 -6.259 757 HG23 ILE 99 HG23 ILE 99 -12.791 2.540 -5.693 758 HD11 ILE 99 HD11 ILE 99 -12.160 7.571 -6.303 759 HD12 ILE 99 HD12 ILE 99 -11.498 6.288 -5.276 760 HD13 ILE 99 HD13 ILE 99 -11.654 6.033 -7.024 761 H ILE 100 H ILE 100 -16.252 2.245 -6.534 762 HA ILE 100 HA ILE 100 -15.654 0.029 -4.605 763 HB ILE 100 HB ILE 100 -17.824 -0.066 -6.714 764 HG12 ILE 100 HG12 ILE 100 -18.029 1.079 -3.899 765 HG13 ILE 100 HG13 ILE 100 -18.376 1.910 -5.418 766 HG21 ILE 100 HG21 ILE 100 -18.769 -1.797 -5.301 767 HG22 ILE 100 HG22 ILE 100 -17.078 -2.196 -5.516 768 HG23 ILE 100 HG23 ILE 100 -17.618 -1.431 -4.005 769 HD11 ILE 100 HD11 ILE 100 -20.453 1.444 -4.387 770 HD12 ILE 100 HD12 ILE 100 -20.309 0.369 -5.794 771 HD13 ILE 100 HD13 ILE 100 -20.055 -0.260 -4.143 772 H ALA 101 H ALA 101 -14.746 1.312 -7.540 773 HA ALA 101 HA ALA 101 -14.408 -0.990 -9.215 774 HB1 ALA 101 HB1 ALA 101 -13.355 0.639 -10.722 775 HB2 ALA 101 HB2 ALA 101 -14.819 1.325 -10.005 776 HB3 ALA 101 HB3 ALA 101 -13.217 1.814 -9.398 777 H SER 102 H SER 102 -12.659 -0.534 -6.505 778 HA SER 102 HA SER 102 -10.567 -0.917 -5.725 779 HB2 SER 102 HB2 SER 102 -11.319 -3.155 -6.662 780 HB3 SER 102 HB3 SER 102 -10.159 -2.884 -7.969 781 HG SER 102 HG SER 102 -9.782 -3.660 -5.399 782 H LYS 103 H LYS 103 -10.173 1.358 -6.470 783 HA LYS 103 HA LYS 103 -7.544 1.573 -7.687 784 HB2 LYS 103 HB2 LYS 103 -9.405 1.666 -9.602 785 HB3 LYS 103 HB3 LYS 103 -9.652 3.299 -9.000 786 HG2 LYS 103 HG2 LYS 103 -8.103 3.538 -10.751 787 HG3 LYS 103 HG3 LYS 103 -7.100 3.615 -9.301 788 HD2 LYS 103 HD2 LYS 103 -6.631 1.114 -9.628 789 HD3 LYS 103 HD3 LYS 103 -7.454 1.230 -11.180 790 HE2 LYS 103 HE2 LYS 103 -4.996 2.843 -10.336 791 HE3 LYS 103 HE3 LYS 103 -4.953 1.366 -11.299 792 HZ1 LYS 103 HZ1 LYS 103 -4.857 3.305 -12.723 793 HZ2 LYS 103 HZ2 LYS 103 -6.256 3.901 -12.137 794 HZ3 LYS 103 HZ3 LYS 103 -6.254 2.518 -13.013 795 H ASN 104 H ASN 104 -6.573 3.741 -7.286 796 HA ASN 104 HA ASN 104 -8.316 5.753 -6.075 797 HB2 ASN 104 HB2 ASN 104 -6.796 4.203 -4.403 798 HB3 ASN 104 HB3 ASN 104 -5.640 5.473 -4.745 799 HD21 ASN 104 HD21 ASN 104 -6.549 5.089 -2.174 800 HD22 ASN 104 HD22 ASN 104 -7.558 6.445 -1.728 801 H VAL 105 H VAL 105 -6.504 7.704 -5.527 802 HA VAL 105 HA VAL 105 -4.798 8.108 -7.941 803 HB VAL 105 HB VAL 105 -6.448 10.276 -6.568 804 HG11 VAL 105 HG11 VAL 105 -4.775 10.318 -9.123 805 HG12 VAL 105 HG12 VAL 105 -5.783 11.652 -8.521 806 HG13 VAL 105 HG13 VAL 105 -4.377 11.139 -7.597 807 HG21 VAL 105 HG21 VAL 105 -7.758 10.377 -8.686 808 HG22 VAL 105 HG22 VAL 105 -6.923 8.913 -9.257 809 HG23 VAL 105 HG23 VAL 105 -7.991 8.852 -7.835 810 H LEU 106 H LEU 106 -2.771 8.800 -7.464 811 HA LEU 106 HA LEU 106 -1.567 8.771 -4.956 812 HB2 LEU 106 HB2 LEU 106 -0.389 8.798 -7.152 813 HB3 LEU 106 HB3 LEU 106 -0.924 10.443 -7.431 814 HG LEU 106 HG LEU 106 0.475 11.117 -5.381 815 HD11 LEU 106 HD11 LEU 106 0.624 8.758 -4.524 816 HD12 LEU 106 HD12 LEU 106 2.147 9.662 -4.563 817 HD13 LEU 106 HD13 LEU 106 1.795 8.440 -5.813 818 HD21 LEU 106 HD21 LEU 106 1.814 9.935 -7.827 819 HD22 LEU 106 HD22 LEU 106 2.591 11.043 -6.665 820 HD23 LEU 106 HD23 LEU 106 1.215 11.591 -7.632 821 H THR 107 H THR 107 -1.219 10.199 -3.301 822 HA THR 107 HA THR 107 -2.961 12.454 -2.915 823 HB THR 107 HB THR 107 -0.738 12.859 -1.216 824 HG1 THR 107 HG1 THR 107 -1.450 10.152 -1.087 825 HG21 THR 107 HG21 THR 107 -3.075 13.110 -0.517 826 HG22 THR 107 HG22 THR 107 -2.286 11.906 0.522 827 HG23 THR 107 HG23 THR 107 -3.369 11.377 -0.774 828 H THR 108 H THR 108 -2.087 14.616 -2.198 829 HA THR 108 HA THR 108 -0.171 15.733 -4.236 830 HB THR 108 HB THR 108 -2.505 16.204 -4.790 831 HG1 THR 108 HG1 THR 108 -2.164 18.403 -5.115 832 HG21 THR 108 HG21 THR 108 -3.486 16.446 -2.511 833 HG22 THR 108 HG22 THR 108 -3.812 17.839 -3.546 834 HG23 THR 108 HG23 THR 108 -2.567 17.956 -2.292 835 H SER 109 H SER 109 -1.188 15.857 -0.891 836 HA SER 109 HA SER 109 0.684 18.000 -0.106 837 HB2 SER 109 HB2 SER 109 -0.998 16.038 1.503 838 HB3 SER 109 HB3 SER 109 0.051 17.272 2.217 839 HG SER 109 HG SER 109 -2.101 17.785 0.409 840 H GLU 110 H GLU 110 2.283 17.463 1.689 841 HA GLU 110 HA GLU 110 3.811 15.007 0.950 842 HB2 GLU 110 HB2 GLU 110 5.007 17.718 1.531 843 HB3 GLU 110 HB3 GLU 110 5.846 16.244 1.032 844 HG2 GLU 110 HG2 GLU 110 4.192 16.305 -1.017 845 HG3 GLU 110 HG3 GLU 110 3.982 18.002 -0.595 846 H PHE 111 H PHE 111 3.723 13.642 2.497 847 HA PHE 111 HA PHE 111 3.469 14.451 5.331 848 HB2 PHE 111 HB2 PHE 111 3.080 11.701 4.109 849 HB3 PHE 111 HB3 PHE 111 2.473 12.299 5.645 850 HD1 PHE 111 HD2 PHE 111 2.098 12.445 1.960 851 HD2 PHE 111 HD1 PHE 111 0.313 13.475 5.741 852 HE1 PHE 111 HE2 PHE 111 0.008 13.023 0.802 853 HE2 PHE 111 HE1 PHE 111 -1.810 14.024 4.578 854 HZ PHE 111 HZ PHE 111 -1.961 13.784 2.084 855 H TYR 112 H TYR 112 4.535 12.900 6.950 856 HA TYR 112 HA TYR 112 7.403 12.790 6.341 857 HB2 TYR 112 HB2 TYR 112 5.672 12.639 8.746 858 HB3 TYR 112 HB3 TYR 112 7.106 11.619 8.788 859 HD1 TYR 112 HD1 TYR 112 6.848 15.014 7.162 860 HD2 TYR 112 HD2 TYR 112 8.324 12.677 10.473 861 HE1 TYR 112 HE1 TYR 112 8.284 16.921 7.873 862 HE2 TYR 112 HE2 TYR 112 9.743 14.596 11.194 863 HH TYR 112 HH TYR 112 10.423 16.730 10.741 864 H LEU 113 H LEU 113 8.032 11.295 5.014 865 HA LEU 113 HA LEU 113 7.003 8.512 5.202 866 HB2 LEU 113 HB2 LEU 113 7.940 10.237 3.023 867 HB3 LEU 113 HB3 LEU 113 8.767 8.692 3.026 868 HG LEU 113 HG LEU 113 6.774 8.693 1.626 869 HD11 LEU 113 HD11 LEU 113 7.576 6.604 2.626 870 HD12 LEU 113 HD12 LEU 113 5.838 6.605 2.280 871 HD13 LEU 113 HD13 LEU 113 6.403 6.796 3.948 872 HD21 LEU 113 HD21 LEU 113 4.532 8.775 2.447 873 HD22 LEU 113 HD22 LEU 113 5.366 10.239 3.000 874 HD23 LEU 113 HD23 LEU 113 5.073 8.904 4.131 875 H SER 114 H SER 114 8.080 6.889 5.942 876 HA SER 114 HA SER 114 10.987 7.122 6.623 877 HB2 SER 114 HB2 SER 114 9.626 7.760 8.542 878 HB3 SER 114 HB3 SER 114 8.675 6.303 8.398 879 HG SER 114 HG SER 114 10.200 5.854 9.927 880 H ASP 115 H ASP 115 11.772 5.725 5.145 881 HA ASP 115 HA ASP 115 10.709 2.933 5.065 882 HB2 ASP 115 HB2 ASP 115 12.639 4.439 3.284 883 HB3 ASP 115 HB3 ASP 115 12.420 2.694 3.210 884 H CYS 116 H CYS 116 12.074 1.196 5.453 885 HA CYS 116 HA CYS 116 14.845 1.699 6.403 886 HB2 CYS 116 HB2 CYS 116 12.778 1.249 8.258 887 HB3 CYS 116 HB3 CYS 116 13.638 -0.283 8.170 888 H ASN 117 H ASN 117 15.885 0.684 4.826 889 HA ASN 117 HA ASN 117 14.943 -1.909 3.708 890 HB2 ASN 117 HB2 ASN 117 17.055 0.138 2.932 891 HB3 ASN 117 HB3 ASN 117 17.034 -1.474 2.228 892 HD21 ASN 117 HD21 ASN 117 14.987 1.482 2.592 893 HD22 ASN 117 HD22 ASN 117 14.150 1.169 1.080 894 H VAL 118 H VAL 118 15.819 -3.823 4.163 895 HA VAL 118 HA VAL 118 17.598 -4.321 6.330 896 HB VAL 118 HB VAL 118 16.652 -5.963 3.982 897 HG11 VAL 118 HG11 VAL 118 18.832 -6.987 4.469 898 HG12 VAL 118 HG12 VAL 118 18.452 -7.009 6.212 899 HG13 VAL 118 HG13 VAL 118 17.537 -8.014 5.071 900 HG21 VAL 118 HG21 VAL 118 15.071 -5.467 5.801 901 HG22 VAL 118 HG22 VAL 118 15.435 -7.193 5.730 902 HG23 VAL 118 HG23 VAL 118 16.189 -6.185 6.981 903 H THR 119 H THR 119 19.720 -4.892 6.516 904 HA THR 119 HA THR 119 21.538 -4.295 4.195 905 HB THR 119 HB THR 119 23.193 -3.471 5.786 906 HG1 THR 119 HG1 THR 119 22.358 -4.567 7.618 907 HG21 THR 119 HG21 THR 119 22.091 -1.365 6.379 908 HG22 THR 119 HG22 THR 119 20.510 -2.084 6.023 909 HG23 THR 119 HG23 THR 119 21.694 -1.860 4.714 910 H SER 120 H SER 120 21.889 -6.251 3.439 911 HA SER 120 HA SER 120 22.437 -8.667 4.886 912 HB2 SER 120 HB2 SER 120 21.738 -8.396 2.443 913 HB3 SER 120 HB3 SER 120 23.430 -7.998 2.091 914 HG SER 120 HG SER 120 23.992 -10.059 3.052 Start of MODEL 9 1 H1 ARG 1 H1 ARG 1 15.938 -7.192 17.444 2 H2 ARG 1 H2 ARG 1 17.269 -7.882 18.113 3 H3 ARG 1 H3 ARG 1 17.022 -6.260 18.212 4 HA ARG 1 HA ARG 1 17.307 -5.965 15.855 5 HB2 ARG 1 HB2 ARG 1 19.623 -7.599 16.979 6 HB3 ARG 1 HB3 ARG 1 19.675 -6.458 15.635 7 HG2 ARG 1 HG2 ARG 1 19.037 -4.617 17.276 8 HG3 ARG 1 HG3 ARG 1 19.162 -5.818 18.573 9 HD2 ARG 1 HD2 ARG 1 21.562 -6.260 17.712 10 HD3 ARG 1 HD3 ARG 1 21.369 -4.782 16.771 11 HE ARG 1 HE ARG 1 21.418 -3.495 18.736 12 HH11 ARG 1 HH11 ARG 1 21.483 -6.869 19.657 13 HH12 ARG 1 HH12 ARG 1 21.852 -6.501 21.319 14 HH21 ARG 1 HH21 ARG 1 21.892 -3.094 20.859 15 HH22 ARG 1 HH22 ARG 1 22.084 -4.419 21.968 16 HA PRO 2 HA PRO 2 15.859 -10.088 14.487 17 HB2 PRO 2 HB2 PRO 2 14.125 -9.365 12.486 18 HB3 PRO 2 HB3 PRO 2 13.724 -9.324 14.224 19 HG2 PRO 2 HG2 PRO 2 14.591 -7.027 12.454 20 HG3 PRO 2 HG3 PRO 2 13.273 -7.069 13.660 21 HD2 PRO 2 HD2 PRO 2 15.725 -5.993 14.207 22 HD3 PRO 2 HD3 PRO 2 14.761 -6.838 15.447 23 H CYS 3 H CYS 3 16.530 -7.587 12.031 24 HA CYS 3 HA CYS 3 18.565 -9.249 10.694 25 HB2 CYS 3 HB2 CYS 3 16.203 -7.962 9.250 26 HB3 CYS 3 HB3 CYS 3 17.587 -8.686 8.467 27 H LYS 4 H LYS 4 19.755 -7.861 9.071 28 HA LYS 4 HA LYS 4 20.235 -5.099 10.081 29 HB2 LYS 4 HB2 LYS 4 21.617 -6.807 7.984 30 HB3 LYS 4 HB3 LYS 4 22.156 -5.202 8.453 31 HG2 LYS 4 HG2 LYS 4 21.974 -7.551 10.398 32 HG3 LYS 4 HG3 LYS 4 23.404 -7.210 9.444 33 HD2 LYS 4 HD2 LYS 4 22.199 -5.186 11.382 34 HD3 LYS 4 HD3 LYS 4 23.441 -6.370 11.817 35 HE2 LYS 4 HE2 LYS 4 24.903 -5.475 9.981 36 HE3 LYS 4 HE3 LYS 4 23.710 -4.204 9.685 37 HZ1 LYS 4 HZ1 LYS 4 25.167 -4.622 12.244 38 HZ2 LYS 4 HZ2 LYS 4 24.064 -3.443 11.982 39 HZ3 LYS 4 HZ3 LYS 4 25.477 -3.441 11.166 40 H TYR 5 H TYR 5 19.708 -3.299 8.958 41 HA TYR 5 HA TYR 5 18.666 -3.489 6.177 42 HB2 TYR 5 HB2 TYR 5 17.295 -1.928 8.392 43 HB3 TYR 5 HB3 TYR 5 16.802 -1.995 6.716 44 HD1 TYR 5 HD2 TYR 5 17.019 -3.928 9.871 45 HD2 TYR 5 HD1 TYR 5 15.411 -3.839 5.861 46 HE1 TYR 5 HE2 TYR 5 15.340 -5.660 10.496 47 HE2 TYR 5 HE1 TYR 5 13.690 -5.490 6.527 48 HH TYR 5 HH TYR 5 13.024 -6.934 8.091 49 H LYS 6 H LYS 6 18.583 -1.536 5.069 50 HA LYS 6 HA LYS 6 20.734 0.424 5.656 51 HB2 LYS 6 HB2 LYS 6 18.952 -0.015 3.227 52 HB3 LYS 6 HB3 LYS 6 20.361 1.047 3.285 53 HG2 LYS 6 HG2 LYS 6 21.886 -0.724 3.210 54 HG3 LYS 6 HG3 LYS 6 20.780 -1.873 3.957 55 HD2 LYS 6 HD2 LYS 6 21.091 -2.484 1.659 56 HD3 LYS 6 HD3 LYS 6 19.415 -2.007 1.960 57 HE2 LYS 6 HE2 LYS 6 19.867 0.220 0.943 58 HE3 LYS 6 HE3 LYS 6 21.575 -0.194 0.756 59 HZ1 LYS 6 HZ1 LYS 6 20.349 -0.516 -1.317 60 HZ2 LYS 6 HZ2 LYS 6 19.338 -1.591 -0.622 61 HZ3 LYS 6 HZ3 LYS 6 20.924 -1.949 -0.797 62 H LEU 7 H LEU 7 20.403 2.650 5.387 63 HA LEU 7 HA LEU 7 17.873 3.715 6.454 64 HB2 LEU 7 HB2 LEU 7 20.208 4.502 7.151 65 HB3 LEU 7 HB3 LEU 7 20.362 5.209 5.549 66 HG LEU 7 HG LEU 7 17.997 6.351 6.233 67 HD11 LEU 7 HD11 LEU 7 19.402 5.965 8.907 68 HD12 LEU 7 HD12 LEU 7 17.877 5.188 8.430 69 HD13 LEU 7 HD13 LEU 7 17.959 6.953 8.602 70 HD21 LEU 7 HD21 LEU 7 20.701 7.322 7.198 71 HD22 LEU 7 HD22 LEU 7 19.228 8.309 7.003 72 HD23 LEU 7 HD23 LEU 7 19.984 7.569 5.584 73 H LYS 8 H LYS 8 16.265 4.450 5.236 74 HA LYS 8 HA LYS 8 16.769 5.984 2.767 75 HB2 LYS 8 HB2 LYS 8 16.469 3.710 1.929 76 HB3 LYS 8 HB3 LYS 8 14.959 3.545 2.809 77 HG2 LYS 8 HG2 LYS 8 14.515 3.950 0.462 78 HG3 LYS 8 HG3 LYS 8 13.943 5.337 1.387 79 HD2 LYS 8 HD2 LYS 8 15.949 6.627 0.752 80 HD3 LYS 8 HD3 LYS 8 16.569 5.221 -0.149 81 HE2 LYS 8 HE2 LYS 8 14.525 5.260 -1.578 82 HE3 LYS 8 HE3 LYS 8 13.919 6.655 -0.676 83 HZ1 LYS 8 HZ1 LYS 8 15.850 7.919 -1.459 84 HZ2 LYS 8 HZ2 LYS 8 15.010 7.338 -2.730 85 HZ3 LYS 8 HZ3 LYS 8 16.413 6.628 -2.295 86 H LYS 9 H LYS 9 16.120 7.830 3.711 87 HA LYS 9 HA LYS 9 13.287 8.113 4.673 88 HB2 LYS 9 HB2 LYS 9 15.674 10.004 4.875 89 HB3 LYS 9 HB3 LYS 9 14.068 10.333 5.519 90 HG2 LYS 9 HG2 LYS 9 15.818 7.988 6.409 91 HG3 LYS 9 HG3 LYS 9 15.763 9.552 7.212 92 HD2 LYS 9 HD2 LYS 9 13.466 9.295 7.836 93 HD3 LYS 9 HD3 LYS 9 13.253 7.852 6.841 94 HE2 LYS 9 HE2 LYS 9 15.501 7.649 8.751 95 HE3 LYS 9 HE3 LYS 9 13.948 7.917 9.546 96 HZ1 LYS 9 HZ1 LYS 9 13.059 5.959 8.399 97 HZ2 LYS 9 HZ2 LYS 9 14.406 5.543 9.227 98 HZ3 LYS 9 HZ3 LYS 9 14.472 5.723 7.606 99 H SER 10 H SER 10 11.902 9.614 3.799 100 HA SER 10 HA SER 10 12.625 11.353 1.553 101 HB2 SER 10 HB2 SER 10 10.817 8.926 1.173 102 HB3 SER 10 HB3 SER 10 10.736 10.340 0.115 103 HG SER 10 HG SER 10 13.264 9.236 0.589 104 H THR 11 H THR 11 10.631 12.626 0.818 105 HA THR 11 HA THR 11 8.426 12.667 2.789 106 HB THR 11 HB THR 11 9.736 15.293 2.029 107 HG1 THR 11 HG1 THR 11 11.171 14.136 3.343 108 HG21 THR 11 HG21 THR 11 8.355 16.123 3.874 109 HG22 THR 11 HG22 THR 11 7.819 14.468 4.255 110 HG23 THR 11 HG23 THR 11 7.317 15.235 2.737 111 H ASN 12 H ASN 12 6.718 12.262 1.529 112 HA ASN 12 HA ASN 12 5.938 13.852 -0.752 113 HB2 ASN 12 HB2 ASN 12 6.277 12.046 -2.512 114 HB3 ASN 12 HB3 ASN 12 7.725 12.830 -1.929 115 HD21 ASN 12 HD21 ASN 12 5.950 10.099 -0.250 116 HD22 ASN 12 HD22 ASN 12 7.303 9.023 -0.533 117 H LYS 13 H LYS 13 4.153 12.838 -2.005 118 HA LYS 13 HA LYS 13 1.982 11.650 -0.549 119 HB2 LYS 13 HB2 LYS 13 1.076 11.338 -2.957 120 HB3 LYS 13 HB3 LYS 13 1.333 12.939 -2.332 121 HG2 LYS 13 HG2 LYS 13 3.645 11.850 -3.842 122 HG3 LYS 13 HG3 LYS 13 2.158 11.996 -4.775 123 HD2 LYS 13 HD2 LYS 13 1.939 14.323 -4.346 124 HD3 LYS 13 HD3 LYS 13 3.144 14.303 -3.074 125 HE2 LYS 13 HE2 LYS 13 4.076 15.342 -5.069 126 HE3 LYS 13 HE3 LYS 13 4.954 13.867 -4.674 127 HZ1 LYS 13 HZ1 LYS 13 3.792 12.729 -6.463 128 HZ2 LYS 13 HZ2 LYS 13 4.453 14.086 -7.062 129 HZ3 LYS 13 HZ3 LYS 13 2.850 14.040 -6.771 130 H PHE 14 H PHE 14 0.788 9.770 -1.540 131 HA PHE 14 HA PHE 14 2.432 7.409 -2.220 132 HB2 PHE 14 HB2 PHE 14 1.213 6.079 -0.418 133 HB3 PHE 14 HB3 PHE 14 2.494 7.152 0.112 134 HD1 PHE 14 HD1 PHE 14 -1.246 6.845 -0.108 135 HD2 PHE 14 HD2 PHE 14 2.102 8.887 1.693 136 HE1 PHE 14 HE1 PHE 14 -2.791 8.035 1.424 137 HE2 PHE 14 HE2 PHE 14 0.544 10.037 3.248 138 HZ PHE 14 HZ PHE 14 -1.889 9.714 3.052 139 H CYS 15 H CYS 15 1.358 5.822 -3.325 140 HA CYS 15 HA CYS 15 -1.399 6.492 -4.270 141 HB2 CYS 15 HB2 CYS 15 0.415 6.382 -5.974 142 HB3 CYS 15 HB3 CYS 15 0.663 4.691 -5.590 143 H VAL 16 H VAL 16 -2.968 5.025 -4.203 144 HA VAL 16 HA VAL 16 -2.657 2.341 -2.957 145 HB VAL 16 HB VAL 16 -4.406 2.843 -1.257 146 HG11 VAL 16 HG11 VAL 16 -2.168 2.690 -0.477 147 HG12 VAL 16 HG12 VAL 16 -1.844 4.400 -0.870 148 HG13 VAL 16 HG13 VAL 16 -3.024 3.974 0.384 149 HG21 VAL 16 HG21 VAL 16 -3.764 5.783 -1.658 150 HG22 VAL 16 HG22 VAL 16 -5.175 4.999 -2.381 151 HG23 VAL 16 HG23 VAL 16 -4.996 5.045 -0.612 152 H THR 17 H THR 17 -4.970 1.334 -2.674 153 HA THR 17 HA THR 17 -6.781 2.160 -4.942 154 HB THR 17 HB THR 17 -6.526 -0.668 -3.908 155 HG1 THR 17 HG1 THR 17 -5.237 -1.005 -5.794 156 HG21 THR 17 HG21 THR 17 -7.467 0.399 -6.575 157 HG22 THR 17 HG22 THR 17 -8.538 -0.125 -5.244 158 HG23 THR 17 HG23 THR 17 -7.473 -1.290 -6.041 159 H CYS 18 H CYS 18 -8.794 2.861 -4.283 160 HA CYS 18 HA CYS 18 -9.809 2.103 -1.607 161 HB2 CYS 18 HB2 CYS 18 -10.411 4.328 -3.514 162 HB3 CYS 18 HB3 CYS 18 -11.739 3.661 -2.574 163 H GLU 19 H GLU 19 -11.312 0.695 -1.282 164 HA GLU 19 HA GLU 19 -13.117 -0.186 -3.468 165 HB2 GLU 19 HB2 GLU 19 -11.176 -1.806 -3.188 166 HB3 GLU 19 HB3 GLU 19 -11.759 -2.122 -1.550 167 HG2 GLU 19 HG2 GLU 19 -14.029 -2.693 -2.606 168 HG3 GLU 19 HG3 GLU 19 -13.240 -2.592 -4.177 169 H ASN 20 H ASN 20 -15.057 0.369 -2.768 170 HA ASN 20 HA ASN 20 -16.827 0.940 -1.475 171 HB2 ASN 20 HB2 ASN 20 -15.831 -1.323 0.288 172 HB3 ASN 20 HB3 ASN 20 -17.304 -0.421 0.596 173 HD21 ASN 20 HD21 ASN 20 -15.754 -2.274 -2.117 174 HD22 ASN 20 HD22 ASN 20 -17.305 -2.919 -2.645 175 H GLN 21 H GLN 21 -15.052 2.730 -1.472 176 HA GLN 21 HA GLN 21 -14.594 4.762 -0.605 177 HB2 GLN 21 HB2 GLN 21 -16.520 4.100 1.645 178 HB3 GLN 21 HB3 GLN 21 -15.991 5.687 1.093 179 HG2 GLN 21 HG2 GLN 21 -17.923 5.675 -0.074 180 HG3 GLN 21 HG3 GLN 21 -16.991 4.734 -1.239 181 HE21 GLN 21 HE21 GLN 21 -18.269 3.038 -1.971 182 HE22 GLN 21 HE22 GLN 21 -19.398 2.181 -0.917 183 H ALA 22 H ALA 22 -12.803 2.546 0.274 184 HA ALA 22 HA ALA 22 -11.416 3.939 2.386 185 HB1 ALA 22 HB1 ALA 22 -12.561 1.141 2.826 186 HB2 ALA 22 HB2 ALA 22 -11.458 2.012 3.930 187 HB3 ALA 22 HB3 ALA 22 -13.090 2.623 3.655 188 HA PRO 23 HA PRO 23 -8.345 2.035 -0.249 189 HB2 PRO 23 HB2 PRO 23 -6.096 3.109 0.757 190 HB3 PRO 23 HB3 PRO 23 -7.380 4.062 -0.082 191 HG2 PRO 23 HG2 PRO 23 -7.051 3.709 2.915 192 HG3 PRO 23 HG3 PRO 23 -7.182 5.233 1.990 193 HD2 PRO 23 HD2 PRO 23 -9.353 4.013 3.143 194 HD3 PRO 23 HD3 PRO 23 -9.467 4.895 1.590 195 H VAL 24 H VAL 24 -8.370 -0.166 -0.003 196 HA VAL 24 HA VAL 24 -7.378 -1.357 2.509 197 HB VAL 24 HB VAL 24 -8.274 -3.464 1.729 198 HG11 VAL 24 HG11 VAL 24 -10.595 -2.973 1.784 199 HG12 VAL 24 HG12 VAL 24 -9.831 -1.672 2.709 200 HG13 VAL 24 HG13 VAL 24 -10.380 -1.365 1.066 201 HG21 VAL 24 HG21 VAL 24 -9.066 -2.031 -0.852 202 HG22 VAL 24 HG22 VAL 24 -7.834 -3.317 -0.689 203 HG23 VAL 24 HG23 VAL 24 -9.528 -3.676 -0.359 204 H HIS 25 H HIS 25 -5.865 -0.331 -0.319 205 HA HIS 25 HA HIS 25 -3.912 -2.619 -0.329 206 HB2 HIS 25 HB2 HIS 25 -5.916 -2.658 -2.101 207 HB3 HIS 25 HB3 HIS 25 -4.930 -1.465 -2.913 208 HD1 HIS 25 HD1 HIS 25 -2.171 -2.481 -3.377 209 HD2 HIS 25 HD2 HIS 25 -5.535 -5.026 -2.956 210 HE1 HIS 25 HE1 HIS 25 -1.551 -4.682 -4.487 211 HE2 HIS 25 HE2 HIS 25 -3.581 -6.246 -4.244 212 H PHE 26 H PHE 26 -1.821 -1.940 -0.556 213 HA PHE 26 HA PHE 26 -1.258 0.902 -1.151 214 HB2 PHE 26 HB2 PHE 26 -0.068 -0.354 0.678 215 HB3 PHE 26 HB3 PHE 26 0.602 -1.433 -0.530 216 HD1 PHE 26 HD2 PHE 26 0.316 2.372 -0.426 217 HD2 PHE 26 HD1 PHE 26 2.951 -1.067 -0.430 218 HE1 PHE 26 HE2 PHE 26 2.266 3.846 -0.675 219 HE2 PHE 26 HE1 PHE 26 4.885 0.434 -0.695 220 HZ PHE 26 HZ PHE 26 4.553 2.893 -0.836 221 H VAL 27 H VAL 27 -0.262 1.659 -3.007 222 HA VAL 27 HA VAL 27 0.199 -0.325 -5.240 223 HB VAL 27 HB VAL 27 -0.640 2.575 -5.447 224 HG11 VAL 27 HG11 VAL 27 -0.100 0.525 -7.632 225 HG12 VAL 27 HG12 VAL 27 -0.859 2.113 -7.880 226 HG13 VAL 27 HG13 VAL 27 0.810 2.019 -7.320 227 HG21 VAL 27 HG21 VAL 27 -2.490 1.009 -4.801 228 HG22 VAL 27 HG22 VAL 27 -2.707 1.748 -6.388 229 HG23 VAL 27 HG23 VAL 27 -2.146 0.063 -6.260 230 H GLY 28 H GLY 28 1.429 2.833 -3.950 231 HA2 GLY 28 HA2 GLY 28 4.172 2.125 -4.208 232 HA3 GLY 28 HA3 GLY 28 3.671 3.002 -5.665 233 H VAL 29 H VAL 29 5.491 4.336 -4.593 234 HA VAL 29 HA VAL 29 4.332 6.357 -2.714 235 HB VAL 29 HB VAL 29 5.865 4.791 -1.592 236 HG11 VAL 29 HG11 VAL 29 8.257 4.884 -1.906 237 HG12 VAL 29 HG12 VAL 29 7.518 4.408 -3.443 238 HG13 VAL 29 HG13 VAL 29 8.104 6.071 -3.212 239 HG21 VAL 29 HG21 VAL 29 5.487 7.047 -0.746 240 HG22 VAL 29 HG22 VAL 29 7.144 6.483 -0.435 241 HG23 VAL 29 HG23 VAL 29 6.841 7.634 -1.753 242 H GLY 30 H GLY 30 4.569 8.482 -3.178 243 HA2 GLY 30 HA2 GLY 30 5.113 10.390 -4.322 244 HA3 GLY 30 HA3 GLY 30 6.519 9.575 -4.976 245 H SER 31 H SER 31 4.013 7.667 -5.898 246 HA SER 31 HA SER 31 3.037 8.745 -8.346 247 HB2 SER 31 HB2 SER 31 5.521 8.633 -8.844 248 HB3 SER 31 HB3 SER 31 5.431 6.879 -8.596 249 HG SER 31 HG SER 31 5.183 7.540 -10.816 250 H CYS 32 H CYS 32 2.237 6.788 -9.712 251 HA CYS 32 HA CYS 32 1.364 4.515 -7.987 252 HB2 CYS 32 HB2 CYS 32 0.123 5.713 -10.480 253 HB3 CYS 32 HB3 CYS 32 -0.436 4.248 -9.687 254 H GLY 33 H GLY 33 2.015 2.592 -8.490 255 HA2 GLY 33 HA2 GLY 33 4.072 2.030 -10.460 256 HA3 GLY 33 HA3 GLY 33 3.327 0.881 -9.351 257 H SER 34 H SER 34 2.969 2.501 -12.451 258 HA SER 34 HA SER 34 0.687 1.128 -13.471 259 HB2 SER 34 HB2 SER 34 1.846 3.224 -14.378 260 HB3 SER 34 HB3 SER 34 3.026 2.137 -15.127 261 HG SER 34 HG SER 34 0.243 2.423 -15.632 262 H GLY 35 H GLY 35 0.716 -0.347 -15.373 263 HA2 GLY 35 HA2 GLY 35 1.219 -2.314 -16.479 264 HA3 GLY 35 HA3 GLY 35 2.844 -2.269 -15.803 265 H GLY 36 H GLY 36 2.264 -2.412 -13.072 266 HA2 GLY 36 HA2 GLY 36 1.146 -3.730 -11.378 267 HA3 GLY 36 HA3 GLY 36 0.659 -4.901 -12.596 268 H SER 37 H SER 37 3.310 -3.753 -10.592 269 HA SER 37 HA SER 37 5.439 -5.389 -11.360 270 HB2 SER 37 HB2 SER 37 4.730 -4.458 -8.551 271 HB3 SER 37 HB3 SER 37 6.330 -4.983 -9.113 272 HG SER 37 HG SER 37 6.105 -2.692 -9.147 273 H GLY 38 H GLY 38 6.062 -7.441 -11.031 274 HA2 GLY 38 HA2 GLY 38 4.147 -9.457 -10.268 275 HA3 GLY 38 HA3 GLY 38 5.793 -9.713 -10.834 276 H ILE 39 H ILE 39 4.770 -7.965 -7.931 277 HA ILE 39 HA ILE 39 6.713 -9.309 -6.218 278 HB ILE 39 HB ILE 39 4.442 -7.421 -5.506 279 HG12 ILE 39 HG12 ILE 39 7.406 -6.760 -5.881 280 HG13 ILE 39 HG13 ILE 39 6.190 -6.480 -7.121 281 HG21 ILE 39 HG21 ILE 39 5.195 -8.653 -3.519 282 HG22 ILE 39 HG22 ILE 39 6.896 -8.256 -3.888 283 HG23 ILE 39 HG23 ILE 39 5.741 -6.998 -3.412 284 HD11 ILE 39 HD11 ILE 39 4.951 -4.962 -5.579 285 HD12 ILE 39 HD12 ILE 39 6.301 -5.099 -4.425 286 HD13 ILE 39 HD13 ILE 39 6.575 -4.405 -6.026 287 H PHE 40 H PHE 40 6.382 -10.848 -4.759 288 HA PHE 40 HA PHE 40 3.679 -12.081 -4.359 289 HB2 PHE 40 HB2 PHE 40 4.551 -14.259 -4.787 290 HB3 PHE 40 HB3 PHE 40 4.946 -13.230 -6.151 291 HD1 PHE 40 HD1 PHE 40 7.304 -12.551 -6.594 292 HD2 PHE 40 HD2 PHE 40 6.297 -15.173 -3.318 293 HE1 PHE 40 HE1 PHE 40 9.696 -13.172 -6.350 294 HE2 PHE 40 HE2 PHE 40 8.688 -15.794 -3.081 295 HZ PHE 40 HZ PHE 40 10.391 -14.791 -4.592 296 H LEU 41 H LEU 41 6.250 -10.728 -2.755 297 HA LEU 41 HA LEU 41 6.666 -12.556 -0.570 298 HB2 LEU 41 HB2 LEU 41 7.245 -9.587 -0.972 299 HB3 LEU 41 HB3 LEU 41 7.659 -10.444 0.495 300 HG LEU 41 HG LEU 41 9.598 -10.198 -0.850 301 HD11 LEU 41 HD11 LEU 41 8.786 -13.127 -0.972 302 HD12 LEU 41 HD12 LEU 41 9.362 -12.281 0.485 303 HD13 LEU 41 HD13 LEU 41 10.427 -12.459 -0.916 304 HD21 LEU 41 HD21 LEU 41 9.977 -11.153 -3.009 305 HD22 LEU 41 HD22 LEU 41 8.557 -10.101 -3.109 306 HD23 LEU 41 HD23 LEU 41 8.368 -11.878 -3.058 307 H GLU 42 H GLU 42 4.170 -10.284 -1.224 308 HA GLU 42 HA GLU 42 2.783 -10.985 1.291 309 HB2 GLU 42 HB2 GLU 42 3.576 -8.201 0.443 310 HB3 GLU 42 HB3 GLU 42 1.945 -8.406 1.061 311 HG2 GLU 42 HG2 GLU 42 2.740 -9.421 3.105 312 HG3 GLU 42 HG3 GLU 42 4.427 -9.285 2.557 313 H THR 43 H THR 43 0.532 -10.624 1.209 314 HA THR 43 HA THR 43 -0.816 -11.009 -1.386 315 HB THR 43 HB THR 43 -1.880 -10.574 1.432 316 HG1 THR 43 HG1 THR 43 -0.676 -12.516 0.986 317 HG21 THR 43 HG21 THR 43 -3.692 -10.037 -0.117 318 HG22 THR 43 HG22 THR 43 -3.981 -11.630 0.585 319 HG23 THR 43 HG23 THR 43 -3.356 -11.500 -1.074 320 H SER 44 H SER 44 0.141 -8.305 0.534 321 HA SER 44 HA SER 44 -0.225 -6.072 0.514 322 HB2 SER 44 HB2 SER 44 0.788 -6.489 -1.732 323 HB3 SER 44 HB3 SER 44 -0.839 -6.424 -2.432 324 HG SER 44 HG SER 44 -1.023 -4.319 -1.481 325 H LEU 45 H LEU 45 -2.457 -7.605 1.303 326 HA LEU 45 HA LEU 45 -4.703 -7.602 1.768 327 HB2 LEU 45 HB2 LEU 45 -4.070 -4.666 1.621 328 HB3 LEU 45 HB3 LEU 45 -5.594 -5.281 2.250 329 HG LEU 45 HG LEU 45 -4.085 -6.652 3.912 330 HD11 LEU 45 HD11 LEU 45 -1.989 -5.360 4.517 331 HD12 LEU 45 HD12 LEU 45 -2.134 -4.487 2.985 332 HD13 LEU 45 HD13 LEU 45 -1.846 -6.244 3.013 333 HD21 LEU 45 HD21 LEU 45 -5.551 -4.747 4.522 334 HD22 LEU 45 HD22 LEU 45 -4.258 -3.629 4.069 335 HD23 LEU 45 HD23 LEU 45 -4.051 -4.734 5.454 336 H SER 46 H SER 46 -5.061 -8.677 -0.185 337 HA SER 46 HA SER 46 -6.692 -7.209 -2.230 338 HB2 SER 46 HB2 SER 46 -4.544 -8.202 -2.998 339 HB3 SER 46 HB3 SER 46 -5.126 -9.798 -2.508 340 HG SER 46 HG SER 46 -6.305 -8.080 -4.474 341 H ALA 47 H ALA 47 -6.613 -10.236 -0.297 342 HA ALA 47 HA ALA 47 -9.563 -10.476 -0.596 343 HB1 ALA 47 HB1 ALA 47 -9.305 -12.913 -0.889 344 HB2 ALA 47 HB2 ALA 47 -8.520 -12.024 -2.209 345 HB3 ALA 47 HB3 ALA 47 -7.536 -12.736 -0.909 346 H GLY 48 H GLY 48 -10.607 -10.943 1.262 347 HA2 GLY 48 HA2 GLY 48 -11.030 -11.375 3.484 348 HA3 GLY 48 HA3 GLY 48 -9.543 -12.315 3.534 349 H SER 49 H SER 49 -9.047 -8.968 2.639 350 HA SER 49 HA SER 49 -7.907 -8.347 5.309 351 HB2 SER 49 HB2 SER 49 -6.559 -6.727 3.970 352 HB3 SER 49 HB3 SER 49 -6.252 -8.421 3.558 353 HG SER 49 HG SER 49 -7.421 -8.192 1.692 354 H ASP 50 H ASP 50 -7.722 -5.725 5.388 355 HA ASP 50 HA ASP 50 -10.088 -4.378 4.413 356 HB2 ASP 50 HB2 ASP 50 -10.467 -5.694 6.812 357 HB3 ASP 50 HB3 ASP 50 -9.845 -4.150 7.382 358 H TRP 51 H TRP 51 -10.019 -2.223 4.739 359 HA TRP 51 HA TRP 51 -7.651 -0.612 4.910 360 HB2 TRP 51 HB2 TRP 51 -9.383 0.564 4.019 361 HB3 TRP 51 HB3 TRP 51 -10.596 -0.197 5.033 362 HD1 TRP 51 HD1 TRP 51 -11.514 1.094 6.968 363 HE1 TRP 51 HE1 TRP 51 -10.941 3.282 8.211 364 HE3 TRP 51 HE3 TRP 51 -7.025 2.130 4.762 365 HZ2 TRP 51 HZ2 TRP 51 -8.832 5.247 8.193 366 HZ3 TRP 51 HZ3 TRP 51 -5.736 4.149 5.404 367 HH2 TRP 51 HH2 TRP 51 -6.632 5.730 7.086 368 H LEU 52 H LEU 52 -9.878 -1.813 7.381 369 HA LEU 52 HA LEU 52 -9.001 -0.343 9.617 370 HB2 LEU 52 HB2 LEU 52 -10.931 -2.276 9.056 371 HB3 LEU 52 HB3 LEU 52 -9.845 -3.143 10.111 372 HG LEU 52 HG LEU 52 -11.679 -2.206 11.358 373 HD11 LEU 52 HD11 LEU 52 -9.451 -2.181 12.477 374 HD12 LEU 52 HD12 LEU 52 -10.587 -0.969 13.097 375 HD13 LEU 52 HD13 LEU 52 -9.285 -0.462 12.005 376 HD21 LEU 52 HD21 LEU 52 -10.854 0.568 10.402 377 HD22 LEU 52 HD22 LEU 52 -12.164 0.169 11.527 378 HD23 LEU 52 HD23 LEU 52 -12.267 -0.349 9.836 379 H THR 53 H THR 53 -7.487 -3.170 8.124 380 HA THR 53 HA THR 53 -5.349 -3.189 10.202 381 HB THR 53 HB THR 53 -4.694 -5.342 9.183 382 HG1 THR 53 HG1 THR 53 -6.234 -6.369 7.867 383 HG21 THR 53 HG21 THR 53 -7.596 -5.272 10.115 384 HG22 THR 53 HG22 THR 53 -6.172 -5.262 11.182 385 HG23 THR 53 HG23 THR 53 -6.500 -6.669 10.155 386 H PHE 54 H PHE 54 -5.893 -2.368 6.844 387 HA PHE 54 HA PHE 54 -3.320 -2.275 5.736 388 HB2 PHE 54 HB2 PHE 54 -5.324 -1.679 4.478 389 HB3 PHE 54 HB3 PHE 54 -5.643 -0.336 5.558 390 HD1 PHE 54 HD1 PHE 54 -3.458 -1.475 2.803 391 HD2 PHE 54 HD2 PHE 54 -4.615 1.796 5.359 392 HE1 PHE 54 HE1 PHE 54 -2.245 0.130 1.339 393 HE2 PHE 54 HE2 PHE 54 -3.392 3.388 3.879 394 HZ PHE 54 HZ PHE 54 -2.177 2.543 1.903 395 H GLN 55 H GLN 55 -4.812 0.038 7.928 396 HA GLN 55 HA GLN 55 -2.719 1.962 8.130 397 HB2 GLN 55 HB2 GLN 55 -4.808 1.026 10.135 398 HB3 GLN 55 HB3 GLN 55 -3.773 2.437 10.393 399 HG2 GLN 55 HG2 GLN 55 -4.793 3.676 8.672 400 HG3 GLN 55 HG3 GLN 55 -5.435 2.242 7.866 401 HE21 GLN 55 HE21 GLN 55 -7.376 1.307 8.535 402 HE22 GLN 55 HE22 GLN 55 -8.389 2.108 9.717 403 H LYS 56 H LYS 56 -3.462 -0.622 10.471 404 HA LYS 56 HA LYS 56 -0.963 -0.350 11.900 405 HB2 LYS 56 HB2 LYS 56 -2.781 -2.798 11.849 406 HB3 LYS 56 HB3 LYS 56 -1.461 -2.505 12.977 407 HG2 LYS 56 HG2 LYS 56 -2.989 -1.586 14.332 408 HG3 LYS 56 HG3 LYS 56 -2.869 -0.163 13.295 409 HD2 LYS 56 HD2 LYS 56 -4.764 -1.161 11.897 410 HD3 LYS 56 HD3 LYS 56 -4.901 -2.433 13.127 411 HE2 LYS 56 HE2 LYS 56 -5.221 -0.571 14.851 412 HE3 LYS 56 HE3 LYS 56 -5.288 0.569 13.498 413 HZ1 LYS 56 HZ1 LYS 56 -7.139 -0.858 12.605 414 HZ2 LYS 56 HZ2 LYS 56 -7.519 -0.079 14.014 415 HZ3 LYS 56 HZ3 LYS 56 -7.157 -1.672 14.023 416 H LYS 57 H LYS 57 -1.570 -2.120 9.006 417 HA LYS 57 HA LYS 57 0.736 -3.832 8.960 418 HB2 LYS 57 HB2 LYS 57 -1.265 -2.780 7.006 419 HB3 LYS 57 HB3 LYS 57 0.252 -3.289 6.311 420 HG2 LYS 57 HG2 LYS 57 -1.095 -5.144 8.287 421 HG3 LYS 57 HG3 LYS 57 -1.803 -4.960 6.688 422 HD2 LYS 57 HD2 LYS 57 0.441 -5.475 5.660 423 HD3 LYS 57 HD3 LYS 57 1.068 -5.838 7.269 424 HE2 LYS 57 HE2 LYS 57 -1.315 -7.234 5.951 425 HE3 LYS 57 HE3 LYS 57 0.348 -7.813 5.847 426 HZ1 LYS 57 HZ1 LYS 57 0.371 -8.039 8.269 427 HZ2 LYS 57 HZ2 LYS 57 -0.835 -8.931 7.629 428 HZ3 LYS 57 HZ3 LYS 57 -1.180 -7.523 8.380 429 H HIS 58 H HIS 58 0.449 -0.460 7.626 430 HA HIS 58 HA HIS 58 3.393 -0.206 7.941 431 HB2 HIS 58 HB2 HIS 58 3.884 0.104 5.654 432 HB3 HIS 58 HB3 HIS 58 2.989 -1.401 5.754 433 HD1 HIS 58 HD1 HIS 58 2.966 1.869 4.070 434 HD2 HIS 58 HD2 HIS 58 0.124 -1.055 5.193 435 HE1 HIS 58 HE1 HIS 58 0.747 2.406 2.795 436 HE2 HIS 58 HE2 HIS 58 -0.954 0.622 3.526 437 H ILE 59 H ILE 59 0.949 1.289 8.911 438 HA ILE 59 HA ILE 59 1.902 4.037 8.210 439 HB ILE 59 HB ILE 59 -1.029 3.328 8.578 440 HG12 ILE 59 HG12 ILE 59 0.667 3.647 6.089 441 HG13 ILE 59 HG13 ILE 59 -0.471 2.369 6.489 442 HG21 ILE 59 HG21 ILE 59 -1.467 5.630 7.884 443 HG22 ILE 59 HG22 ILE 59 -0.429 5.646 9.276 444 HG23 ILE 59 HG23 ILE 59 0.271 5.917 7.663 445 HD11 ILE 59 HD11 ILE 59 -1.172 5.216 5.658 446 HD12 ILE 59 HD12 ILE 59 -1.326 3.746 4.701 447 HD13 ILE 59 HD13 ILE 59 -2.357 3.968 6.142 448 H THR 60 H THR 60 1.862 5.510 9.865 449 HA THR 60 HA THR 60 0.872 4.651 12.535 450 HB THR 60 HB THR 60 3.131 3.767 12.511 451 HG1 THR 60 HG1 THR 60 3.828 4.910 14.378 452 HG21 THR 60 HG21 THR 60 4.110 6.637 12.153 453 HG22 THR 60 HG22 THR 60 4.243 5.343 10.941 454 HG23 THR 60 HG23 THR 60 5.103 5.198 12.477 455 H ASN 61 H ASN 61 0.687 6.246 14.098 456 HA ASN 61 HA ASN 61 0.437 9.057 13.182 457 HB2 ASN 61 HB2 ASN 61 -0.457 7.540 15.681 458 HB3 ASN 61 HB3 ASN 61 -0.619 9.275 15.474 459 HD21 ASN 61 HD21 ASN 61 -2.189 6.282 14.884 460 HD22 ASN 61 HD22 ASN 61 -3.416 6.954 13.821 461 H THR 62 H THR 62 2.880 7.133 14.344 462 HA THR 62 HA THR 62 4.585 9.379 14.988 463 HB THR 62 HB THR 62 3.599 9.252 17.148 464 HG1 THR 62 HG1 THR 62 5.460 8.828 18.342 465 HG21 THR 62 HG21 THR 62 4.436 6.346 17.463 466 HG22 THR 62 HG22 THR 62 2.770 6.879 17.148 467 HG23 THR 62 HG23 THR 62 3.599 7.376 18.631 468 H ARG 63 H ARG 63 6.261 8.843 13.689 469 HA ARG 63 HA ARG 63 7.171 6.103 13.254 470 HB2 ARG 63 HB2 ARG 63 7.563 7.779 11.515 471 HB3 ARG 63 HB3 ARG 63 8.535 8.750 12.643 472 HG2 ARG 63 HG2 ARG 63 10.147 6.789 12.801 473 HG3 ARG 63 HG3 ARG 63 9.120 5.915 11.655 474 HD2 ARG 63 HD2 ARG 63 10.947 6.856 10.438 475 HD3 ARG 63 HD3 ARG 63 9.481 7.735 10.003 476 HE ARG 63 HE ARG 63 10.351 9.680 10.961 477 HH11 ARG 63 HH11 ARG 63 12.422 7.061 12.038 478 HH12 ARG 63 HH12 ARG 63 13.607 8.160 12.682 479 HH21 ARG 63 HH21 ARG 63 11.878 11.007 11.842 480 HH22 ARG 63 HH22 ARG 63 13.303 10.329 12.565 481 H ASP 64 H ASP 64 7.688 5.073 15.028 482 HA ASP 64 HA ASP 64 9.928 6.069 16.747 483 HB2 ASP 64 HB2 ASP 64 7.662 5.616 17.776 484 HB3 ASP 64 HB3 ASP 64 7.868 3.918 17.349 485 H VAL 65 H VAL 65 9.758 4.352 14.057 486 HA VAL 65 HA VAL 65 11.018 1.829 14.871 487 HB VAL 65 HB VAL 65 10.311 2.944 12.127 488 HG11 VAL 65 HG11 VAL 65 11.490 0.280 13.002 489 HG12 VAL 65 HG12 VAL 65 10.613 0.468 11.485 490 HG13 VAL 65 HG13 VAL 65 12.087 1.398 11.741 491 HG21 VAL 65 HG21 VAL 65 8.347 2.386 13.554 492 HG22 VAL 65 HG22 VAL 65 8.516 1.257 12.216 493 HG23 VAL 65 HG23 VAL 65 9.025 0.768 13.846 494 H ASP 66 H ASP 66 13.057 1.238 14.665 495 HA ASP 66 HA ASP 66 15.111 3.089 13.514 496 HB2 ASP 66 HB2 ASP 66 14.928 3.014 16.059 497 HB3 ASP 66 HB3 ASP 66 15.452 1.330 15.960 498 H CYS 67 H CYS 67 13.631 0.426 12.742 499 HA CYS 67 HA CYS 67 13.974 -1.591 11.782 500 HB2 CYS 67 HB2 CYS 67 16.328 -0.176 10.539 501 HB3 CYS 67 HB3 CYS 67 15.407 -1.529 9.865 502 H ASP 68 H ASP 68 14.803 -1.693 14.278 503 HA ASP 68 HA ASP 68 16.593 -4.001 14.369 504 HB2 ASP 68 HB2 ASP 68 17.393 -1.313 15.453 505 HB3 ASP 68 HB3 ASP 68 17.710 -2.703 16.476 506 H ASN 69 H ASN 69 14.241 -1.878 15.974 507 HA ASN 69 HA ASN 69 13.868 -3.831 18.156 508 HB2 ASN 69 HB2 ASN 69 12.606 -2.176 19.299 509 HB3 ASN 69 HB3 ASN 69 14.183 -1.550 18.841 510 HD21 ASN 69 HD21 ASN 69 14.279 0.209 17.549 511 HD22 ASN 69 HD22 ASN 69 12.832 1.101 17.057 512 H ILE 70 H ILE 70 12.579 -3.308 15.089 513 HA ILE 70 HA ILE 70 9.796 -3.652 15.513 514 HB ILE 70 HB ILE 70 9.644 -4.128 13.158 515 HG12 ILE 70 HG12 ILE 70 12.641 -4.603 13.276 516 HG13 ILE 70 HG13 ILE 70 11.368 -5.662 12.649 517 HG21 ILE 70 HG21 ILE 70 10.046 -1.826 14.094 518 HG22 ILE 70 HG22 ILE 70 11.755 -1.999 13.637 519 HG23 ILE 70 HG23 ILE 70 10.479 -2.018 12.395 520 HD11 ILE 70 HD11 ILE 70 10.971 -4.002 10.805 521 HD12 ILE 70 HD12 ILE 70 12.384 -3.095 11.408 522 HD13 ILE 70 HD13 ILE 70 12.587 -4.748 10.800 523 H MET 71 H MET 71 12.163 -5.879 16.070 524 HA MET 71 HA MET 71 10.774 -8.400 15.740 525 HB2 MET 71 HB2 MET 71 13.148 -8.197 16.272 526 HB3 MET 71 HB3 MET 71 12.778 -7.537 17.862 527 HG2 MET 71 HG2 MET 71 11.704 -10.239 17.007 528 HG3 MET 71 HG3 MET 71 13.382 -10.087 17.496 529 HE1 MET 71 HE1 MET 71 13.552 -8.163 19.953 530 HE2 MET 71 HE2 MET 71 13.312 -9.329 21.267 531 HE3 MET 71 HE3 MET 71 14.287 -9.782 19.855 532 H SER 72 H SER 72 10.437 -5.796 18.123 533 HA SER 72 HA SER 72 8.550 -7.281 19.819 534 HB2 SER 72 HB2 SER 72 9.495 -4.394 19.904 535 HB3 SER 72 HB3 SER 72 8.519 -5.209 21.139 536 HG SER 72 HG SER 72 10.750 -5.223 21.669 537 H THR 73 H THR 73 8.139 -5.526 16.909 538 HA THR 73 HA THR 73 5.327 -4.751 17.588 539 HB THR 73 HB THR 73 5.363 -3.223 15.738 540 HG1 THR 73 HG1 THR 73 7.374 -2.864 14.658 541 HG21 THR 73 HG21 THR 73 6.288 -2.375 17.897 542 HG22 THR 73 HG22 THR 73 6.956 -1.556 16.475 543 HG23 THR 73 HG23 THR 73 7.925 -2.773 17.326 544 H ASN 74 H ASN 74 3.951 -4.823 15.366 545 HA ASN 74 HA ASN 74 3.738 -7.613 14.741 546 HB2 ASN 74 HB2 ASN 74 1.849 -7.094 13.519 547 HB3 ASN 74 HB3 ASN 74 1.865 -5.911 14.813 548 HD21 ASN 74 HD21 ASN 74 1.858 -3.656 14.196 549 HD22 ASN 74 HD22 ASN 74 1.768 -3.240 12.485 550 H LEU 75 H LEU 75 5.767 -5.264 13.358 551 HA LEU 75 HA LEU 75 6.085 -6.387 10.705 552 HB2 LEU 75 HB2 LEU 75 7.624 -4.327 12.335 553 HB3 LEU 75 HB3 LEU 75 7.947 -4.677 10.659 554 HG LEU 75 HG LEU 75 6.767 -2.758 10.530 555 HD11 LEU 75 HD11 LEU 75 4.530 -4.766 10.210 556 HD12 LEU 75 HD12 LEU 75 5.819 -4.465 9.016 557 HD13 LEU 75 HD13 LEU 75 4.691 -3.176 9.457 558 HD21 LEU 75 HD21 LEU 75 4.669 -3.675 12.511 559 HD22 LEU 75 HD22 LEU 75 4.730 -2.127 11.672 560 HD23 LEU 75 HD23 LEU 75 5.996 -2.536 12.836 561 H PHE 76 H PHE 76 6.972 -7.907 13.397 562 HA PHE 76 HA PHE 76 9.759 -8.277 13.355 563 HB2 PHE 76 HB2 PHE 76 9.389 -9.979 14.922 564 HB3 PHE 76 HB3 PHE 76 8.184 -8.743 15.240 565 HD1 PHE 76 HD2 PHE 76 5.755 -9.187 14.475 566 HD2 PHE 76 HD1 PHE 76 8.800 -12.230 14.453 567 HE1 PHE 76 HE2 PHE 76 3.999 -10.931 14.377 568 HE2 PHE 76 HE1 PHE 76 7.040 -13.984 14.366 569 HZ PHE 76 HZ PHE 76 4.636 -13.336 14.328 570 H HIS 77 H HIS 77 7.616 -9.391 11.097 571 HA HIS 77 HA HIS 77 8.332 -12.066 10.598 572 HB2 HIS 77 HB2 HIS 77 6.315 -10.774 9.796 573 HB3 HIS 77 HB3 HIS 77 7.331 -10.014 8.576 574 HD1 HIS 77 HD1 HIS 77 6.130 -13.569 9.594 575 HD2 HIS 77 HD2 HIS 77 7.584 -11.326 6.319 576 HE1 HIS 77 HE1 HIS 77 5.982 -15.108 7.540 577 HE2 HIS 77 HE2 HIS 77 6.849 -13.737 5.535 578 H CYS 78 H CYS 78 10.361 -9.483 10.173 579 HA CYS 78 HA CYS 78 11.924 -8.730 8.672 580 HB2 CYS 78 HB2 CYS 78 13.232 -10.107 10.101 581 HB3 CYS 78 HB3 CYS 78 12.927 -11.536 9.110 582 H LYS 79 H LYS 79 10.013 -8.669 7.221 583 HA LYS 79 HA LYS 79 10.380 -9.915 4.584 584 HB2 LYS 79 HB2 LYS 79 8.858 -7.977 3.849 585 HB3 LYS 79 HB3 LYS 79 8.211 -9.246 4.866 586 HG2 LYS 79 HG2 LYS 79 7.325 -7.163 5.577 587 HG3 LYS 79 HG3 LYS 79 8.329 -7.818 6.850 588 HD2 LYS 79 HD2 LYS 79 9.736 -5.957 5.004 589 HD3 LYS 79 HD3 LYS 79 8.373 -5.228 5.824 590 HE2 LYS 79 HE2 LYS 79 10.692 -6.626 7.246 591 HE3 LYS 79 HE3 LYS 79 10.614 -4.902 6.935 592 HZ1 LYS 79 HZ1 LYS 79 8.568 -4.797 8.273 593 HZ2 LYS 79 HZ2 LYS 79 9.818 -5.394 9.155 594 HZ3 LYS 79 HZ3 LYS 79 8.664 -6.398 8.619 595 H ASP 80 H ASP 80 11.017 -8.725 2.710 596 HA ASP 80 HA ASP 80 13.684 -7.841 2.937 597 HB2 ASP 80 HB2 ASP 80 11.730 -7.642 0.611 598 HB3 ASP 80 HB3 ASP 80 13.460 -7.339 0.481 599 H LYS 81 H LYS 81 10.793 -5.866 2.660 600 HA LYS 81 HA LYS 81 12.149 -3.636 3.829 601 HB2 LYS 81 HB2 LYS 81 11.528 -1.945 2.029 602 HB3 LYS 81 HB3 LYS 81 12.895 -2.978 1.654 603 HG2 LYS 81 HG2 LYS 81 11.691 -4.302 0.152 604 HG3 LYS 81 HG3 LYS 81 10.115 -3.657 0.656 605 HD2 LYS 81 HD2 LYS 81 12.284 -1.998 -0.685 606 HD3 LYS 81 HD3 LYS 81 11.014 -2.804 -1.582 607 HE2 LYS 81 HE2 LYS 81 10.416 -0.787 0.630 608 HE3 LYS 81 HE3 LYS 81 10.718 -0.303 -1.033 609 HZ1 LYS 81 HZ1 LYS 81 8.538 -2.147 -0.222 610 HZ2 LYS 81 HZ2 LYS 81 8.843 -1.644 -1.747 611 HZ3 LYS 81 HZ3 LYS 81 8.358 -0.568 -0.620 612 H ASN 82 H ASN 82 10.746 -1.944 4.475 613 HA ASN 82 HA ASN 82 7.837 -2.383 4.013 614 HB2 ASN 82 HB2 ASN 82 8.781 -3.085 6.423 615 HB3 ASN 82 HB3 ASN 82 8.746 -1.354 6.713 616 HD21 ASN 82 HD21 ASN 82 6.913 -1.129 8.073 617 HD22 ASN 82 HD22 ASN 82 5.367 -1.879 7.669 618 H THR 83 H THR 83 6.602 -0.482 3.868 619 HA THR 83 HA THR 83 8.179 2.054 3.630 620 HB THR 83 HB THR 83 5.593 1.344 2.180 621 HG1 THR 83 HG1 THR 83 7.361 0.043 1.549 622 HG21 THR 83 HG21 THR 83 6.254 3.285 0.780 623 HG22 THR 83 HG22 THR 83 7.656 3.563 1.849 624 HG23 THR 83 HG23 THR 83 6.014 3.753 2.477 625 H PHE 84 H PHE 84 7.886 2.874 5.699 626 HA PHE 84 HA PHE 84 5.226 2.854 6.947 627 HB2 PHE 84 HB2 PHE 84 7.778 4.083 7.934 628 HB3 PHE 84 HB3 PHE 84 6.258 4.053 8.806 629 HD1 PHE 84 HD1 PHE 84 5.195 1.618 9.149 630 HD2 PHE 84 HD2 PHE 84 9.366 2.490 8.438 631 HE1 PHE 84 HE1 PHE 84 5.836 -0.472 10.322 632 HE2 PHE 84 HE2 PHE 84 9.985 0.279 9.396 633 HZ PHE 84 HZ PHE 84 8.231 -1.161 10.446 634 H ILE 85 H ILE 85 3.814 4.382 6.818 635 HA ILE 85 HA ILE 85 4.454 7.082 5.677 636 HB ILE 85 HB ILE 85 1.838 5.559 5.894 637 HG12 ILE 85 HG12 ILE 85 3.404 6.251 3.363 638 HG13 ILE 85 HG13 ILE 85 3.452 4.672 4.147 639 HG21 ILE 85 HG21 ILE 85 2.329 8.185 4.430 640 HG22 ILE 85 HG22 ILE 85 0.777 7.339 4.671 641 HG23 ILE 85 HG23 ILE 85 1.599 8.074 6.040 642 HD11 ILE 85 HD11 ILE 85 0.977 4.486 3.902 643 HD12 ILE 85 HD12 ILE 85 0.997 5.958 2.913 644 HD13 ILE 85 HD13 ILE 85 1.870 4.520 2.360 645 H TYR 86 H TYR 86 4.814 8.536 7.318 646 HA TYR 86 HA TYR 86 3.274 8.335 9.832 647 HB2 TYR 86 HB2 TYR 86 5.607 8.894 9.999 648 HB3 TYR 86 HB3 TYR 86 5.384 10.247 8.904 649 HD1 TYR 86 HD2 TYR 86 2.728 9.796 11.453 650 HD2 TYR 86 HD1 TYR 86 6.570 11.597 10.621 651 HE1 TYR 86 HE2 TYR 86 2.384 11.407 13.288 652 HE2 TYR 86 HE1 TYR 86 6.220 13.188 12.492 653 HH TYR 86 HH TYR 86 4.793 13.914 14.133 654 H SER 87 H SER 87 1.159 8.570 9.091 655 HA SER 87 HA SER 87 0.348 11.371 8.888 656 HB2 SER 87 HB2 SER 87 -1.046 11.179 6.947 657 HB3 SER 87 HB3 SER 87 0.581 10.652 6.494 658 HG SER 87 HG SER 87 -0.189 8.464 6.856 659 H ARG 88 H ARG 88 -2.023 11.627 9.097 660 HA ARG 88 HA ARG 88 -3.223 9.802 11.098 661 HB2 ARG 88 HB2 ARG 88 -4.237 12.376 9.782 662 HB3 ARG 88 HB3 ARG 88 -5.071 11.498 11.059 663 HG2 ARG 88 HG2 ARG 88 -2.910 11.791 12.470 664 HG3 ARG 88 HG3 ARG 88 -2.404 12.943 11.228 665 HD2 ARG 88 HD2 ARG 88 -3.394 14.245 12.915 666 HD3 ARG 88 HD3 ARG 88 -4.603 14.172 11.622 667 HE ARG 88 HE ARG 88 -4.937 12.069 13.625 668 HH11 ARG 88 HH11 ARG 88 -5.735 15.423 13.074 669 HH12 ARG 88 HH12 ARG 88 -7.081 15.381 14.180 670 HH21 ARG 88 HH21 ARG 88 -6.651 12.069 15.021 671 HH22 ARG 88 HH22 ARG 88 -7.564 13.527 15.265 672 HA PRO 89 HA PRO 89 -5.609 7.511 8.178 673 HB2 PRO 89 HB2 PRO 89 -8.067 7.129 9.381 674 HB3 PRO 89 HB3 PRO 89 -6.555 6.304 9.867 675 HG2 PRO 89 HG2 PRO 89 -7.797 8.794 11.076 676 HG3 PRO 89 HG3 PRO 89 -7.193 7.333 11.926 677 HD2 PRO 89 HD2 PRO 89 -5.663 9.541 11.719 678 HD3 PRO 89 HD3 PRO 89 -4.931 7.926 11.518 679 H GLU 90 H GLU 90 -6.852 10.671 9.064 680 HA GLU 90 HA GLU 90 -9.163 10.714 7.350 681 HB2 GLU 90 HB2 GLU 90 -7.539 12.936 8.630 682 HB3 GLU 90 HB3 GLU 90 -8.958 13.222 7.612 683 HG2 GLU 90 HG2 GLU 90 -10.324 11.820 9.142 684 HG3 GLU 90 HG3 GLU 90 -8.909 11.558 10.167 685 HA PRO 91 HA PRO 91 -6.563 12.838 3.940 686 HB2 PRO 91 HB2 PRO 91 -3.806 12.825 4.055 687 HB3 PRO 91 HB3 PRO 91 -4.815 14.126 4.746 688 HG2 PRO 91 HG2 PRO 91 -3.603 11.728 6.147 689 HG3 PRO 91 HG3 PRO 91 -3.570 13.445 6.669 690 HD2 PRO 91 HD2 PRO 91 -5.365 11.705 7.676 691 HD3 PRO 91 HD3 PRO 91 -5.844 13.371 7.334 692 H VAL 92 H VAL 92 -6.150 9.827 5.211 693 HA VAL 92 HA VAL 92 -5.058 8.585 2.700 694 HB VAL 92 HB VAL 92 -5.582 7.261 5.389 695 HG11 VAL 92 HG11 VAL 92 -4.025 5.542 4.499 696 HG12 VAL 92 HG12 VAL 92 -5.486 5.688 3.514 697 HG13 VAL 92 HG13 VAL 92 -3.962 6.405 2.950 698 HG21 VAL 92 HG21 VAL 92 -2.881 8.194 4.349 699 HG22 VAL 92 HG22 VAL 92 -3.775 9.005 5.640 700 HG23 VAL 92 HG23 VAL 92 -3.212 7.357 5.870 701 H LYS 93 H LYS 93 -7.732 8.107 5.049 702 HA LYS 93 HA LYS 93 -9.212 6.425 3.257 703 HB2 LYS 93 HB2 LYS 93 -9.410 6.924 5.923 704 HB3 LYS 93 HB3 LYS 93 -10.739 7.931 5.340 705 HG2 LYS 93 HG2 LYS 93 -11.246 5.687 3.902 706 HG3 LYS 93 HG3 LYS 93 -10.379 4.933 5.244 707 HD2 LYS 93 HD2 LYS 93 -12.900 6.659 5.484 708 HD3 LYS 93 HD3 LYS 93 -12.836 4.900 5.420 709 HE2 LYS 93 HE2 LYS 93 -13.031 5.196 7.654 710 HE3 LYS 93 HE3 LYS 93 -11.289 5.005 7.453 711 HZ1 LYS 93 HZ1 LYS 93 -11.066 7.428 7.635 712 HZ2 LYS 93 HZ2 LYS 93 -11.843 6.838 8.943 713 HZ3 LYS 93 HZ3 LYS 93 -12.692 7.603 7.781 714 H ALA 94 H ALA 94 -9.461 9.904 3.896 715 HA ALA 94 HA ALA 94 -11.886 10.254 2.357 716 HB1 ALA 94 HB1 ALA 94 -11.614 12.591 2.894 717 HB2 ALA 94 HB2 ALA 94 -11.228 11.627 4.334 718 HB3 ALA 94 HB3 ALA 94 -9.918 12.341 3.351 719 H ILE 95 H ILE 95 -8.724 9.827 1.240 720 HA ILE 95 HA ILE 95 -8.574 11.512 -1.019 721 HB ILE 95 HB ILE 95 -7.752 8.587 -0.884 722 HG12 ILE 95 HG12 ILE 95 -6.028 11.053 -0.337 723 HG13 ILE 95 HG13 ILE 95 -6.755 10.072 0.926 724 HG21 ILE 95 HG21 ILE 95 -7.781 9.580 -3.218 725 HG22 ILE 95 HG22 ILE 95 -6.660 10.829 -2.661 726 HG23 ILE 95 HG23 ILE 95 -6.183 9.116 -2.682 727 HD11 ILE 95 HD11 ILE 95 -4.472 9.394 0.667 728 HD12 ILE 95 HD12 ILE 95 -5.511 8.070 0.121 729 HD13 ILE 95 HD13 ILE 95 -4.667 9.101 -1.063 730 H CYS 96 H CYS 96 -10.576 8.624 -0.468 731 HA CYS 96 HA CYS 96 -11.905 9.047 -3.113 732 HB2 CYS 96 HB2 CYS 96 -12.612 6.750 -2.981 733 HB3 CYS 96 HB3 CYS 96 -10.857 6.887 -2.914 734 H LYS 97 H LYS 97 -14.159 8.744 -3.223 735 HA LYS 97 HA LYS 97 -15.837 8.925 -0.820 736 HB2 LYS 97 HB2 LYS 97 -14.973 11.296 -1.374 737 HB3 LYS 97 HB3 LYS 97 -15.911 11.198 -2.853 738 HG2 LYS 97 HG2 LYS 97 -17.295 12.351 -1.356 739 HG3 LYS 97 HG3 LYS 97 -17.964 10.716 -1.331 740 HD2 LYS 97 HD2 LYS 97 -16.726 10.263 0.798 741 HD3 LYS 97 HD3 LYS 97 -16.019 11.890 0.718 742 HE2 LYS 97 HE2 LYS 97 -18.339 12.853 0.769 743 HE3 LYS 97 HE3 LYS 97 -18.986 11.220 0.965 744 HZ1 LYS 97 HZ1 LYS 97 -17.719 11.052 3.052 745 HZ2 LYS 97 HZ2 LYS 97 -18.732 12.330 3.107 746 HZ3 LYS 97 HZ3 LYS 97 -17.138 12.570 2.865 747 H GLY 98 H GLY 98 -17.089 7.226 -1.343 748 HA2 GLY 98 HA2 GLY 98 -18.962 6.210 -2.335 749 HA3 GLY 98 HA3 GLY 98 -18.945 7.409 -3.616 750 H ILE 99 H ILE 99 -15.854 6.053 -3.342 751 HA ILE 99 HA ILE 99 -16.107 4.683 -5.886 752 HB ILE 99 HB ILE 99 -13.732 4.926 -4.005 753 HG12 ILE 99 HG12 ILE 99 -14.584 6.410 -6.540 754 HG13 ILE 99 HG13 ILE 99 -14.476 7.070 -4.912 755 HG21 ILE 99 HG21 ILE 99 -13.462 2.906 -5.386 756 HG22 ILE 99 HG22 ILE 99 -13.920 3.818 -6.854 757 HG23 ILE 99 HG23 ILE 99 -12.411 4.159 -5.994 758 HD11 ILE 99 HD11 ILE 99 -11.945 6.565 -5.027 759 HD12 ILE 99 HD12 ILE 99 -12.205 6.340 -6.767 760 HD13 ILE 99 HD13 ILE 99 -12.583 7.897 -6.007 761 H ILE 100 H ILE 100 -16.980 2.824 -6.100 762 HA ILE 100 HA ILE 100 -16.402 0.545 -4.242 763 HB ILE 100 HB ILE 100 -18.592 0.567 -6.335 764 HG12 ILE 100 HG12 ILE 100 -18.751 1.612 -3.478 765 HG13 ILE 100 HG13 ILE 100 -19.073 2.517 -4.960 766 HG21 ILE 100 HG21 ILE 100 -18.390 -0.884 -3.669 767 HG22 ILE 100 HG22 ILE 100 -19.566 -1.184 -4.961 768 HG23 ILE 100 HG23 ILE 100 -17.889 -1.618 -5.210 769 HD11 ILE 100 HD11 ILE 100 -21.052 1.053 -5.396 770 HD12 ILE 100 HD12 ILE 100 -20.816 0.345 -3.775 771 HD13 ILE 100 HD13 ILE 100 -21.162 2.070 -3.944 772 H ALA 101 H ALA 101 -15.534 1.867 -7.187 773 HA ALA 101 HA ALA 101 -15.351 -0.383 -8.924 774 HB1 ALA 101 HB1 ALA 101 -15.712 1.974 -9.608 775 HB2 ALA 101 HB2 ALA 101 -14.055 2.373 -9.087 776 HB3 ALA 101 HB3 ALA 101 -14.326 1.253 -10.438 777 H SER 102 H SER 102 -13.435 -0.165 -6.310 778 HA SER 102 HA SER 102 -11.292 -0.665 -5.694 779 HB2 SER 102 HB2 SER 102 -12.088 -2.829 -6.496 780 HB3 SER 102 HB3 SER 102 -11.369 -2.516 -8.083 781 HG SER 102 HG SER 102 -9.349 -2.508 -7.159 782 H LYS 103 H LYS 103 -10.900 1.649 -6.371 783 HA LYS 103 HA LYS 103 -8.397 1.889 -7.886 784 HB2 LYS 103 HB2 LYS 103 -10.230 1.973 -9.598 785 HB3 LYS 103 HB3 LYS 103 -10.857 3.432 -8.836 786 HG2 LYS 103 HG2 LYS 103 -8.851 4.668 -9.385 787 HG3 LYS 103 HG3 LYS 103 -7.997 3.204 -9.892 788 HD2 LYS 103 HD2 LYS 103 -10.486 4.293 -11.280 789 HD3 LYS 103 HD3 LYS 103 -8.827 4.695 -11.753 790 HE2 LYS 103 HE2 LYS 103 -8.334 2.294 -12.138 791 HE3 LYS 103 HE3 LYS 103 -9.993 1.874 -11.696 792 HZ1 LYS 103 HZ1 LYS 103 -9.230 3.594 -13.998 793 HZ2 LYS 103 HZ2 LYS 103 -10.764 3.204 -13.589 794 HZ3 LYS 103 HZ3 LYS 103 -9.735 2.047 -14.102 795 H ASN 104 H ASN 104 -7.310 3.972 -7.420 796 HA ASN 104 HA ASN 104 -8.891 6.002 -6.049 797 HB2 ASN 104 HB2 ASN 104 -7.374 4.341 -4.499 798 HB3 ASN 104 HB3 ASN 104 -6.168 5.559 -4.861 799 HD21 ASN 104 HD21 ASN 104 -6.996 5.145 -2.264 800 HD22 ASN 104 HD22 ASN 104 -7.882 6.556 -1.730 801 H VAL 105 H VAL 105 -6.963 7.859 -5.527 802 HA VAL 105 HA VAL 105 -5.342 8.256 -7.997 803 HB VAL 105 HB VAL 105 -6.795 10.476 -6.494 804 HG11 VAL 105 HG11 VAL 105 -6.160 11.851 -8.458 805 HG12 VAL 105 HG12 VAL 105 -4.736 11.233 -7.630 806 HG13 VAL 105 HG13 VAL 105 -5.276 10.472 -9.145 807 HG21 VAL 105 HG21 VAL 105 -8.214 10.701 -8.531 808 HG22 VAL 105 HG22 VAL 105 -7.508 9.201 -9.172 809 HG23 VAL 105 HG23 VAL 105 -8.494 9.178 -7.693 810 H LEU 106 H LEU 106 -3.271 8.885 -7.591 811 HA LEU 106 HA LEU 106 -1.962 8.708 -5.131 812 HB2 LEU 106 HB2 LEU 106 -0.862 8.746 -7.357 813 HB3 LEU 106 HB3 LEU 106 -1.379 10.408 -7.600 814 HG LEU 106 HG LEU 106 0.135 11.014 -5.604 815 HD11 LEU 106 HD11 LEU 106 1.823 9.482 -4.932 816 HD12 LEU 106 HD12 LEU 106 1.318 8.299 -6.163 817 HD13 LEU 106 HD13 LEU 106 0.267 8.652 -4.786 818 HD21 LEU 106 HD21 LEU 106 2.189 10.842 -7.043 819 HD22 LEU 106 HD22 LEU 106 0.779 11.560 -7.842 820 HD23 LEU 106 HD23 LEU 106 1.221 9.883 -8.192 821 H THR 107 H THR 107 -1.442 10.099 -3.466 822 HA THR 107 HA THR 107 -3.071 12.409 -2.928 823 HB THR 107 HB THR 107 -0.739 12.693 -1.364 824 HG1 THR 107 HG1 THR 107 -1.523 10.002 -1.269 825 HG21 THR 107 HG21 THR 107 -3.386 11.268 -0.809 826 HG22 THR 107 HG22 THR 107 -3.024 12.981 -0.511 827 HG23 THR 107 HG23 THR 107 -2.215 11.719 0.439 828 H THR 108 H THR 108 -2.086 14.517 -2.246 829 HA THR 108 HA THR 108 -0.220 15.586 -4.352 830 HB THR 108 HB THR 108 -2.598 16.146 -4.730 831 HG1 THR 108 HG1 THR 108 -0.849 18.309 -4.182 832 HG21 THR 108 HG21 THR 108 -3.678 17.898 -3.429 833 HG22 THR 108 HG22 THR 108 -2.336 17.934 -2.272 834 HG23 THR 108 HG23 THR 108 -3.370 16.492 -2.402 835 H SER 109 H SER 109 -0.878 15.479 -0.953 836 HA SER 109 HA SER 109 0.977 17.661 -0.244 837 HB2 SER 109 HB2 SER 109 -0.424 15.577 1.478 838 HB3 SER 109 HB3 SER 109 0.459 16.992 2.071 839 HG SER 109 HG SER 109 -1.074 18.323 1.015 840 H GLU 110 H GLU 110 2.721 17.118 1.396 841 HA GLU 110 HA GLU 110 4.196 14.653 0.600 842 HB2 GLU 110 HB2 GLU 110 5.421 17.276 1.459 843 HB3 GLU 110 HB3 GLU 110 6.233 15.845 0.811 844 HG2 GLU 110 HG2 GLU 110 4.823 16.153 -1.300 845 HG3 GLU 110 HG3 GLU 110 4.371 17.736 -0.675 846 H PHE 111 H PHE 111 4.067 13.175 2.123 847 HA PHE 111 HA PHE 111 3.824 13.910 4.991 848 HB2 PHE 111 HB2 PHE 111 3.389 11.204 3.679 849 HB3 PHE 111 HB3 PHE 111 2.880 11.716 5.279 850 HD1 PHE 111 HD2 PHE 111 2.275 12.045 1.642 851 HD2 PHE 111 HD1 PHE 111 0.742 12.915 5.574 852 HE1 PHE 111 HE2 PHE 111 0.121 12.692 0.647 853 HE2 PHE 111 HE1 PHE 111 -1.440 13.544 4.571 854 HZ PHE 111 HZ PHE 111 -1.753 13.419 2.086 855 H TYR 112 H TYR 112 5.008 12.499 6.562 856 HA TYR 112 HA TYR 112 7.824 12.285 5.820 857 HB2 TYR 112 HB2 TYR 112 6.250 12.310 8.290 858 HB3 TYR 112 HB3 TYR 112 7.472 11.048 8.308 859 HD1 TYR 112 HD2 TYR 112 7.051 14.713 7.604 860 HD2 TYR 112 HD1 TYR 112 9.691 11.534 8.840 861 HE1 TYR 112 HE2 TYR 112 8.811 16.393 8.191 862 HE2 TYR 112 HE1 TYR 112 11.438 13.210 9.433 863 HH TYR 112 HH TYR 112 11.987 15.425 9.534 864 H LEU 113 H LEU 113 8.430 10.735 4.516 865 HA LEU 113 HA LEU 113 7.276 8.010 4.722 866 HB2 LEU 113 HB2 LEU 113 8.214 9.701 2.531 867 HB3 LEU 113 HB3 LEU 113 9.050 8.162 2.524 868 HG LEU 113 HG LEU 113 7.079 8.137 1.140 869 HD11 LEU 113 HD11 LEU 113 6.083 6.079 1.837 870 HD12 LEU 113 HD12 LEU 113 6.645 6.296 3.498 871 HD13 LEU 113 HD13 LEU 113 7.820 6.046 2.191 872 HD21 LEU 113 HD21 LEU 113 5.667 9.732 2.442 873 HD22 LEU 113 HD22 LEU 113 5.359 8.447 3.625 874 HD23 LEU 113 HD23 LEU 113 4.816 8.258 1.946 875 H SER 114 H SER 114 8.335 6.305 5.374 876 HA SER 114 HA SER 114 11.259 6.457 6.001 877 HB2 SER 114 HB2 SER 114 9.962 7.123 7.976 878 HB3 SER 114 HB3 SER 114 9.044 5.633 7.894 879 HG SER 114 HG SER 114 10.658 5.181 9.306 880 H ASP 115 H ASP 115 11.870 5.090 4.407 881 HA ASP 115 HA ASP 115 10.706 2.359 4.244 882 HB2 ASP 115 HB2 ASP 115 12.714 3.906 2.591 883 HB3 ASP 115 HB3 ASP 115 12.514 2.172 2.426 884 H CYS 116 H CYS 116 12.103 0.554 4.465 885 HA CYS 116 HA CYS 116 14.927 0.966 5.183 886 HB2 CYS 116 HB2 CYS 116 12.922 -0.096 7.097 887 HB3 CYS 116 HB3 CYS 116 14.321 -1.134 6.879 888 H ASN 117 H ASN 117 16.214 -0.607 4.305 889 HA ASN 117 HA ASN 117 14.856 -2.779 2.711 890 HB2 ASN 117 HB2 ASN 117 17.131 -0.891 1.943 891 HB3 ASN 117 HB3 ASN 117 16.709 -2.342 1.041 892 HD21 ASN 117 HD21 ASN 117 15.578 0.934 1.900 893 HD22 ASN 117 HD22 ASN 117 14.361 0.939 0.626 894 H VAL 118 H VAL 118 15.567 -4.793 3.104 895 HA VAL 118 HA VAL 118 17.472 -5.392 5.151 896 HB VAL 118 HB VAL 118 16.256 -7.040 2.937 897 HG11 VAL 118 HG11 VAL 118 18.110 -8.104 5.117 898 HG12 VAL 118 HG12 VAL 118 17.069 -9.104 4.083 899 HG13 VAL 118 HG13 VAL 118 18.388 -8.195 3.358 900 HG21 VAL 118 HG21 VAL 118 14.804 -6.388 4.801 901 HG22 VAL 118 HG22 VAL 118 15.077 -8.131 4.817 902 HG23 VAL 118 HG23 VAL 118 15.949 -7.096 5.964 903 H THR 119 H THR 119 19.552 -6.069 5.203 904 HA THR 119 HA THR 119 21.116 -6.225 2.676 905 HB THR 119 HB THR 119 21.520 -4.004 3.287 906 HG1 THR 119 HG1 THR 119 23.305 -5.026 2.529 907 HG21 THR 119 HG21 THR 119 20.991 -3.974 5.680 908 HG22 THR 119 HG22 THR 119 22.560 -3.239 5.334 909 HG23 THR 119 HG23 THR 119 22.493 -4.868 6.028 910 H SER 120 H SER 120 21.640 -8.220 2.594 911 HA SER 120 HA SER 120 23.186 -9.536 4.759 912 HB2 SER 120 HB2 SER 120 20.757 -10.139 5.023 913 HB3 SER 120 HB3 SER 120 20.815 -10.878 3.409 914 HG SER 120 HG SER 120 21.256 -12.404 5.118 Start of MODEL 10 1 H1 ARG 1 H1 ARG 1 16.563 -6.267 18.568 2 H2 ARG 1 H2 ARG 1 17.922 -6.724 19.366 3 H3 ARG 1 H3 ARG 1 17.427 -5.159 19.381 4 HA ARG 1 HA ARG 1 17.864 -4.883 17.047 5 HB2 ARG 1 HB2 ARG 1 20.233 -6.063 18.570 6 HB3 ARG 1 HB3 ARG 1 20.336 -5.161 17.058 7 HG2 ARG 1 HG2 ARG 1 19.166 -3.225 18.252 8 HG3 ARG 1 HG3 ARG 1 19.388 -4.113 19.764 9 HD2 ARG 1 HD2 ARG 1 21.809 -4.075 19.488 10 HD3 ARG 1 HD3 ARG 1 21.646 -3.332 17.882 11 HE ARG 1 HE ARG 1 20.307 -1.672 19.765 12 HH11 ARG 1 HH11 ARG 1 23.606 -2.553 19.049 13 HH12 ARG 1 HH12 ARG 1 24.228 -1.010 19.571 14 HH21 ARG 1 HH21 ARG 1 21.142 0.264 20.410 15 HH22 ARG 1 HH22 ARG 1 22.856 0.535 20.329 16 HA PRO 2 HA PRO 2 17.236 -9.259 15.881 17 HB2 PRO 2 HB2 PRO 2 15.101 -9.158 14.255 18 HB3 PRO 2 HB3 PRO 2 14.976 -8.858 15.997 19 HG2 PRO 2 HG2 PRO 2 15.198 -6.749 13.814 20 HG3 PRO 2 HG3 PRO 2 13.969 -6.864 15.102 21 HD2 PRO 2 HD2 PRO 2 16.184 -5.311 15.397 22 HD3 PRO 2 HD3 PRO 2 15.495 -6.228 16.766 23 H CYS 3 H CYS 3 17.113 -6.785 13.315 24 HA CYS 3 HA CYS 3 19.249 -8.160 11.803 25 HB2 CYS 3 HB2 CYS 3 16.827 -6.998 10.360 26 HB3 CYS 3 HB3 CYS 3 18.208 -7.808 9.667 27 H LYS 4 H LYS 4 20.244 -6.606 10.193 28 HA LYS 4 HA LYS 4 20.292 -3.815 11.266 29 HB2 LYS 4 HB2 LYS 4 22.158 -5.280 9.371 30 HB3 LYS 4 HB3 LYS 4 22.376 -3.611 9.866 31 HG2 LYS 4 HG2 LYS 4 22.395 -5.928 11.862 32 HG3 LYS 4 HG3 LYS 4 23.810 -5.392 10.977 33 HD2 LYS 4 HD2 LYS 4 23.997 -4.360 13.057 34 HD3 LYS 4 HD3 LYS 4 23.510 -3.081 11.943 35 HE2 LYS 4 HE2 LYS 4 21.149 -3.321 12.781 36 HE3 LYS 4 HE3 LYS 4 21.683 -4.579 13.896 37 HZ1 LYS 4 HZ1 LYS 4 22.703 -1.788 13.900 38 HZ2 LYS 4 HZ2 LYS 4 23.014 -2.929 15.031 39 HZ3 LYS 4 HZ3 LYS 4 21.494 -2.309 14.859 40 H TYR 5 H TYR 5 19.886 -2.067 10.085 41 HA TYR 5 HA TYR 5 18.920 -2.340 7.297 42 HB2 TYR 5 HB2 TYR 5 17.449 -0.785 9.446 43 HB3 TYR 5 HB3 TYR 5 16.967 -0.956 7.773 44 HD1 TYR 5 HD2 TYR 5 17.317 -2.735 11.017 45 HD2 TYR 5 HD1 TYR 5 15.655 -2.933 7.022 46 HE1 TYR 5 HE2 TYR 5 15.835 -4.588 11.722 47 HE2 TYR 5 HE1 TYR 5 14.137 -4.740 7.774 48 HH TYR 5 HH TYR 5 14.197 -6.046 11.087 49 H LYS 6 H LYS 6 18.922 -0.352 6.127 50 HA LYS 6 HA LYS 6 20.860 1.713 7.097 51 HB2 LYS 6 HB2 LYS 6 20.918 2.484 4.745 52 HB3 LYS 6 HB3 LYS 6 21.512 0.854 4.985 53 HG2 LYS 6 HG2 LYS 6 18.627 0.934 4.314 54 HG3 LYS 6 HG3 LYS 6 19.616 1.698 3.088 55 HD2 LYS 6 HD2 LYS 6 20.317 -1.074 4.143 56 HD3 LYS 6 HD3 LYS 6 19.111 -0.844 2.883 57 HE2 LYS 6 HE2 LYS 6 20.763 0.408 1.507 58 HE3 LYS 6 HE3 LYS 6 22.012 0.049 2.706 59 HZ1 LYS 6 HZ1 LYS 6 20.450 -2.014 1.228 60 HZ2 LYS 6 HZ2 LYS 6 21.679 -2.318 2.254 61 HZ3 LYS 6 HZ3 LYS 6 21.968 -1.556 0.839 62 H LEU 7 H LEU 7 20.475 3.874 6.904 63 HA LEU 7 HA LEU 7 17.844 4.694 7.867 64 HB2 LEU 7 HB2 LEU 7 20.283 5.297 8.692 65 HB3 LEU 7 HB3 LEU 7 20.247 6.497 7.426 66 HG LEU 7 HG LEU 7 19.703 7.548 9.474 67 HD11 LEU 7 HD11 LEU 7 18.278 8.273 7.557 68 HD12 LEU 7 HD12 LEU 7 17.535 8.527 9.145 69 HD13 LEU 7 HD13 LEU 7 17.005 7.168 8.140 70 HD21 LEU 7 HD21 LEU 7 17.913 6.883 10.979 71 HD22 LEU 7 HD22 LEU 7 19.055 5.551 10.762 72 HD23 LEU 7 HD23 LEU 7 17.482 5.514 9.934 73 H LYS 8 H LYS 8 16.269 5.062 6.444 74 HA LYS 8 HA LYS 8 16.739 7.032 4.275 75 HB2 LYS 8 HB2 LYS 8 16.581 4.749 3.326 76 HB3 LYS 8 HB3 LYS 8 15.035 4.515 4.122 77 HG2 LYS 8 HG2 LYS 8 14.600 5.040 1.810 78 HG3 LYS 8 HG3 LYS 8 14.080 6.412 2.774 79 HD2 LYS 8 HD2 LYS 8 15.176 7.394 0.943 80 HD3 LYS 8 HD3 LYS 8 16.338 7.500 2.252 81 HE2 LYS 8 HE2 LYS 8 17.650 6.798 0.457 82 HE3 LYS 8 HE3 LYS 8 17.349 5.295 1.330 83 HZ1 LYS 8 HZ1 LYS 8 15.553 4.834 -0.301 84 HZ2 LYS 8 HZ2 LYS 8 16.989 5.022 -1.055 85 HZ3 LYS 8 HZ3 LYS 8 15.889 6.222 -1.094 86 H LYS 9 H LYS 9 15.720 8.782 4.706 87 HA LYS 9 HA LYS 9 12.869 8.773 5.647 88 HB2 LYS 9 HB2 LYS 9 15.006 10.764 6.521 89 HB3 LYS 9 HB3 LYS 9 13.309 10.805 6.993 90 HG2 LYS 9 HG2 LYS 9 15.240 8.557 7.687 91 HG3 LYS 9 HG3 LYS 9 14.897 9.912 8.742 92 HD2 LYS 9 HD2 LYS 9 12.740 9.199 9.243 93 HD3 LYS 9 HD3 LYS 9 12.573 8.253 7.772 94 HE2 LYS 9 HE2 LYS 9 14.808 7.276 9.399 95 HE3 LYS 9 HE3 LYS 9 13.321 7.318 10.344 96 HZ1 LYS 9 HZ1 LYS 9 12.248 5.915 8.758 97 HZ2 LYS 9 HZ2 LYS 9 13.667 5.199 9.092 98 HZ3 LYS 9 HZ3 LYS 9 13.489 5.990 7.677 99 H SER 10 H SER 10 11.556 10.411 4.874 100 HA SER 10 HA SER 10 12.455 12.344 2.841 101 HB2 SER 10 HB2 SER 10 10.874 9.832 2.175 102 HB3 SER 10 HB3 SER 10 10.717 11.293 1.192 103 HG SER 10 HG SER 10 13.288 10.309 1.789 104 H THR 11 H THR 11 10.412 13.483 1.868 105 HA THR 11 HA THR 11 8.073 13.371 3.645 106 HB THR 11 HB THR 11 9.274 16.097 3.098 107 HG1 THR 11 HG1 THR 11 9.688 14.324 5.252 108 HG21 THR 11 HG21 THR 11 7.287 15.043 5.160 109 HG22 THR 11 HG22 THR 11 6.823 15.831 3.639 110 HG23 THR 11 HG23 THR 11 7.719 16.746 4.872 111 H ASN 12 H ASN 12 6.544 12.892 2.224 112 HA ASN 12 HA ASN 12 5.771 14.553 0.077 113 HB2 ASN 12 HB2 ASN 12 6.341 13.377 -1.902 114 HB3 ASN 12 HB3 ASN 12 7.807 13.688 -1.051 115 HD21 ASN 12 HD21 ASN 12 7.619 11.345 0.810 116 HD22 ASN 12 HD22 ASN 12 7.979 10.021 -0.286 117 H LYS 13 H LYS 13 4.195 13.376 -1.453 118 HA LYS 13 HA LYS 13 2.011 12.121 -0.051 119 HB2 LYS 13 HB2 LYS 13 1.203 11.851 -2.511 120 HB3 LYS 13 HB3 LYS 13 1.325 13.438 -1.796 121 HG2 LYS 13 HG2 LYS 13 3.692 12.472 -3.353 122 HG3 LYS 13 HG3 LYS 13 2.216 12.828 -4.248 123 HD2 LYS 13 HD2 LYS 13 2.061 15.068 -3.362 124 HD3 LYS 13 HD3 LYS 13 3.445 14.826 -2.305 125 HE2 LYS 13 HE2 LYS 13 4.867 14.388 -4.375 126 HE3 LYS 13 HE3 LYS 13 3.472 14.856 -5.350 127 HZ1 LYS 13 HZ1 LYS 13 3.542 17.044 -4.201 128 HZ2 LYS 13 HZ2 LYS 13 4.914 16.748 -5.028 129 HZ3 LYS 13 HZ3 LYS 13 4.915 16.616 -3.404 130 H PHE 14 H PHE 14 0.930 10.217 -1.038 131 HA PHE 14 HA PHE 14 2.736 7.983 -1.733 132 HB2 PHE 14 HB2 PHE 14 1.594 6.550 0.039 133 HB3 PHE 14 HB3 PHE 14 2.744 7.737 0.621 134 HD1 PHE 14 HD1 PHE 14 -0.945 7.111 0.213 135 HD2 PHE 14 HD2 PHE 14 2.123 9.398 2.205 136 HE1 PHE 14 HE1 PHE 14 -2.667 8.183 1.644 137 HE2 PHE 14 HE2 PHE 14 0.388 10.417 3.670 138 HZ PHE 14 HZ PHE 14 -1.998 9.909 3.320 139 H CYS 15 H CYS 15 1.817 6.340 -2.855 140 HA CYS 15 HA CYS 15 -0.982 6.795 -3.823 141 HB2 CYS 15 HB2 CYS 15 0.827 6.811 -5.525 142 HB3 CYS 15 HB3 CYS 15 1.181 5.131 -5.149 143 H VAL 16 H VAL 16 -2.392 5.213 -3.880 144 HA VAL 16 HA VAL 16 -1.987 2.557 -2.595 145 HB VAL 16 HB VAL 16 -3.851 2.925 -0.987 146 HG11 VAL 16 HG11 VAL 16 -2.624 4.090 0.730 147 HG12 VAL 16 HG12 VAL 16 -1.598 2.951 -0.149 148 HG13 VAL 16 HG13 VAL 16 -1.454 4.699 -0.458 149 HG21 VAL 16 HG21 VAL 16 -4.585 5.107 -0.344 150 HG22 VAL 16 HG22 VAL 16 -3.419 5.903 -1.421 151 HG23 VAL 16 HG23 VAL 16 -4.773 4.989 -2.105 152 H THR 17 H THR 17 -4.308 1.426 -2.426 153 HA THR 17 HA THR 17 -5.921 2.085 -4.885 154 HB THR 17 HB THR 17 -5.607 -0.693 -3.761 155 HG1 THR 17 HG1 THR 17 -4.069 0.508 -5.830 156 HG21 THR 17 HG21 THR 17 -6.221 -1.433 -5.968 157 HG22 THR 17 HG22 THR 17 -6.257 0.233 -6.563 158 HG23 THR 17 HG23 THR 17 -7.451 -0.320 -5.352 159 H CYS 18 H CYS 18 -7.980 2.727 -4.409 160 HA CYS 18 HA CYS 18 -9.204 2.103 -1.808 161 HB2 CYS 18 HB2 CYS 18 -9.303 4.370 -2.959 162 HB3 CYS 18 HB3 CYS 18 -10.403 3.627 -4.111 163 H GLU 19 H GLU 19 -10.667 0.587 -1.501 164 HA GLU 19 HA GLU 19 -12.254 -0.490 -3.750 165 HB2 GLU 19 HB2 GLU 19 -10.106 -1.855 -3.365 166 HB3 GLU 19 HB3 GLU 19 -10.839 -2.418 -1.874 167 HG2 GLU 19 HG2 GLU 19 -12.522 -2.633 -4.361 168 HG3 GLU 19 HG3 GLU 19 -11.061 -3.607 -4.324 169 H ASN 20 H ASN 20 -14.211 -0.097 -3.156 170 HA ASN 20 HA ASN 20 -16.079 0.384 -1.984 171 HB2 ASN 20 HB2 ASN 20 -15.084 -1.855 -0.200 172 HB3 ASN 20 HB3 ASN 20 -16.602 -1.009 0.073 173 HD21 ASN 20 HD21 ASN 20 -14.856 -2.958 -2.406 174 HD22 ASN 20 HD22 ASN 20 -16.350 -3.478 -3.186 175 H GLN 21 H GLN 21 -14.526 2.309 -1.889 176 HA GLN 21 HA GLN 21 -14.276 4.369 -0.996 177 HB2 GLN 21 HB2 GLN 21 -16.266 3.551 1.140 178 HB3 GLN 21 HB3 GLN 21 -15.852 5.176 0.600 179 HG2 GLN 21 HG2 GLN 21 -17.705 4.991 -0.673 180 HG3 GLN 21 HG3 GLN 21 -16.646 4.115 -1.776 181 HE21 GLN 21 HE21 GLN 21 -17.743 2.305 -2.539 182 HE22 GLN 21 HE22 GLN 21 -18.845 1.377 -1.523 183 H ALA 22 H ALA 22 -12.328 2.408 -0.087 184 HA ALA 22 HA ALA 22 -11.142 3.802 2.101 185 HB1 ALA 22 HB1 ALA 22 -11.161 1.938 3.693 186 HB2 ALA 22 HB2 ALA 22 -12.816 2.412 3.322 187 HB3 ALA 22 HB3 ALA 22 -12.141 0.954 2.564 188 HA PRO 23 HA PRO 23 -7.869 1.897 -0.308 189 HB2 PRO 23 HB2 PRO 23 -5.692 2.999 0.840 190 HB3 PRO 23 HB3 PRO 23 -6.905 3.914 -0.136 191 HG2 PRO 23 HG2 PRO 23 -6.809 3.683 2.886 192 HG3 PRO 23 HG3 PRO 23 -6.881 5.170 1.890 193 HD2 PRO 23 HD2 PRO 23 -9.112 3.978 2.942 194 HD3 PRO 23 HD3 PRO 23 -9.132 4.793 1.346 195 H VAL 24 H VAL 24 -7.814 -0.221 -0.097 196 HA VAL 24 HA VAL 24 -6.707 -1.515 2.338 197 HB VAL 24 HB VAL 24 -7.908 -3.474 1.817 198 HG11 VAL 24 HG11 VAL 24 -10.130 -2.806 2.108 199 HG12 VAL 24 HG12 VAL 24 -9.221 -1.391 2.674 200 HG13 VAL 24 HG13 VAL 24 -9.960 -1.365 1.083 201 HG21 VAL 24 HG21 VAL 24 -9.360 -3.760 -0.126 202 HG22 VAL 24 HG22 VAL 24 -8.800 -2.205 -0.809 203 HG23 VAL 24 HG23 VAL 24 -7.685 -3.572 -0.642 204 H HIS 25 H HIS 25 -5.127 -0.321 -0.088 205 HA HIS 25 HA HIS 25 -3.240 -2.572 -0.173 206 HB2 HIS 25 HB2 HIS 25 -5.011 -2.649 -2.222 207 HB3 HIS 25 HB3 HIS 25 -3.930 -1.431 -2.860 208 HD1 HIS 25 HD1 HIS 25 -1.229 -2.273 -3.203 209 HD2 HIS 25 HD2 HIS 25 -4.408 -5.048 -2.896 210 HE1 HIS 25 HE1 HIS 25 -0.443 -4.415 -4.352 211 HE2 HIS 25 HE2 HIS 25 -2.356 -6.100 -4.184 212 H PHE 26 H PHE 26 -1.144 -1.828 -0.386 213 HA PHE 26 HA PHE 26 -0.703 1.086 -0.702 214 HB2 PHE 26 HB2 PHE 26 0.457 -0.193 1.105 215 HB3 PHE 26 HB3 PHE 26 1.194 -1.223 -0.110 216 HD1 PHE 26 HD2 PHE 26 0.821 2.565 0.008 217 HD2 PHE 26 HD1 PHE 26 3.509 -0.828 0.120 218 HE1 PHE 26 HE2 PHE 26 2.749 4.083 -0.149 219 HE2 PHE 26 HE1 PHE 26 5.435 0.714 -0.051 220 HZ PHE 26 HZ PHE 26 5.065 3.154 -0.213 221 H VAL 27 H VAL 27 0.462 2.006 -2.421 222 HA VAL 27 HA VAL 27 1.209 0.170 -4.696 223 HB VAL 27 HB VAL 27 0.161 2.999 -4.878 224 HG11 VAL 27 HG11 VAL 27 1.188 1.129 -7.030 225 HG12 VAL 27 HG12 VAL 27 0.271 2.618 -7.345 226 HG13 VAL 27 HG13 VAL 27 1.861 2.712 -6.578 227 HG21 VAL 27 HG21 VAL 27 -1.693 2.039 -6.104 228 HG22 VAL 27 HG22 VAL 27 -1.000 0.406 -5.954 229 HG23 VAL 27 HG23 VAL 27 -1.601 1.261 -4.521 230 H GLY 28 H GLY 28 2.078 3.438 -3.341 231 HA2 GLY 28 HA2 GLY 28 4.894 2.917 -3.383 232 HA3 GLY 28 HA3 GLY 28 4.409 3.690 -4.899 233 H VAL 29 H VAL 29 6.025 5.224 -3.971 234 HA VAL 29 HA VAL 29 4.788 7.252 -2.146 235 HB VAL 29 HB VAL 29 7.752 6.614 -2.125 236 HG11 VAL 29 HG11 VAL 29 5.903 7.973 -0.137 237 HG12 VAL 29 HG12 VAL 29 7.678 7.793 -0.025 238 HG13 VAL 29 HG13 VAL 29 6.959 8.787 -1.305 239 HG21 VAL 29 HG21 VAL 29 7.348 5.426 0.032 240 HG22 VAL 29 HG22 VAL 29 5.598 5.488 -0.281 241 HG23 VAL 29 HG23 VAL 29 6.680 4.546 -1.341 242 H GLY 30 H GLY 30 4.798 9.305 -2.918 243 HA2 GLY 30 HA2 GLY 30 5.054 11.049 -4.385 244 HA3 GLY 30 HA3 GLY 30 6.663 10.430 -4.713 245 H SER 31 H SER 31 4.427 8.067 -5.596 246 HA SER 31 HA SER 31 3.636 8.905 -8.235 247 HB2 SER 31 HB2 SER 31 5.069 7.433 -9.544 248 HB3 SER 31 HB3 SER 31 6.059 8.600 -8.663 249 HG SER 31 HG SER 31 6.929 6.500 -8.506 250 H CYS 32 H CYS 32 2.625 7.097 -9.444 251 HA CYS 32 HA CYS 32 1.708 4.807 -7.753 252 HB2 CYS 32 HB2 CYS 32 0.353 6.234 -10.061 253 HB3 CYS 32 HB3 CYS 32 -0.216 4.739 -9.341 254 H GLY 33 H GLY 33 2.933 3.081 -8.269 255 HA2 GLY 33 HA2 GLY 33 3.773 2.515 -11.075 256 HA3 GLY 33 HA3 GLY 33 4.280 1.649 -9.625 257 H SER 34 H SER 34 3.393 0.318 -11.926 258 HA SER 34 HA SER 34 1.332 -1.373 -10.734 259 HB2 SER 34 HB2 SER 34 0.137 0.446 -12.070 260 HB3 SER 34 HB3 SER 34 0.855 -0.268 -13.522 261 HG SER 34 HG SER 34 -1.294 -1.067 -12.957 262 H GLY 35 H GLY 35 0.833 -3.162 -12.536 263 HA2 GLY 35 HA2 GLY 35 3.161 -3.974 -14.140 264 HA3 GLY 35 HA3 GLY 35 2.834 -5.012 -12.745 265 H GLY 36 H GLY 36 2.809 -6.160 -15.112 266 HA2 GLY 36 HA2 GLY 36 -0.055 -6.636 -15.894 267 HA3 GLY 36 HA3 GLY 36 1.258 -6.505 -17.058 268 H SER 37 H SER 37 1.859 -8.174 -14.077 269 HA SER 37 HA SER 37 1.856 -10.842 -15.458 270 HB2 SER 37 HB2 SER 37 3.932 -9.738 -13.533 271 HB3 SER 37 HB3 SER 37 3.957 -11.342 -14.268 272 HG SER 37 HG SER 37 4.126 -10.320 -16.322 273 H GLY 38 H GLY 38 1.934 -12.698 -13.984 274 HA2 GLY 38 HA2 GLY 38 -0.179 -12.623 -12.025 275 HA3 GLY 38 HA3 GLY 38 0.786 -14.017 -12.501 276 H ILE 39 H ILE 39 2.342 -11.184 -11.229 277 HA ILE 39 HA ILE 39 3.749 -12.627 -9.147 278 HB ILE 39 HB ILE 39 3.529 -9.668 -9.810 279 HG12 ILE 39 HG12 ILE 39 5.799 -11.638 -10.388 280 HG13 ILE 39 HG13 ILE 39 4.555 -11.233 -11.561 281 HG21 ILE 39 HG21 ILE 39 5.489 -11.055 -7.933 282 HG22 ILE 39 HG22 ILE 39 5.613 -9.369 -8.463 283 HG23 ILE 39 HG23 ILE 39 4.249 -9.845 -7.484 284 HD11 ILE 39 HD11 ILE 39 6.469 -9.930 -12.093 285 HD12 ILE 39 HD12 ILE 39 5.237 -8.827 -11.449 286 HD13 ILE 39 HD13 ILE 39 6.623 -9.317 -10.443 287 H PHE 40 H PHE 40 3.572 -12.444 -6.947 288 HA PHE 40 HA PHE 40 1.174 -11.143 -5.738 289 HB2 PHE 40 HB2 PHE 40 0.877 -13.632 -6.484 290 HB3 PHE 40 HB3 PHE 40 1.873 -14.015 -5.095 291 HD1 PHE 40 HD1 PHE 40 -1.280 -12.345 -6.216 292 HD2 PHE 40 HD2 PHE 40 0.863 -14.044 -2.882 293 HE1 PHE 40 HE1 PHE 40 -3.355 -12.277 -4.849 294 HE2 PHE 40 HE2 PHE 40 -1.220 -13.991 -1.521 295 HZ PHE 40 HZ PHE 40 -3.332 -13.110 -2.506 296 H LEU 41 H LEU 41 4.287 -10.891 -5.620 297 HA LEU 41 HA LEU 41 5.063 -11.628 -2.946 298 HB2 LEU 41 HB2 LEU 41 6.271 -10.000 -5.198 299 HB3 LEU 41 HB3 LEU 41 6.943 -9.809 -3.600 300 HG LEU 41 HG LEU 41 8.254 -11.362 -4.841 301 HD11 LEU 41 HD11 LEU 41 7.963 -11.695 -2.372 302 HD12 LEU 41 HD12 LEU 41 8.436 -13.150 -3.267 303 HD13 LEU 41 HD13 LEU 41 6.760 -12.957 -2.731 304 HD21 LEU 41 HD21 LEU 41 6.591 -12.299 -6.373 305 HD22 LEU 41 HD22 LEU 41 5.823 -13.183 -5.028 306 HD23 LEU 41 HD23 LEU 41 7.481 -13.570 -5.531 307 H GLU 42 H GLU 42 3.214 -8.956 -3.987 308 HA GLU 42 HA GLU 42 3.806 -7.093 -1.845 309 HB2 GLU 42 HB2 GLU 42 1.715 -6.029 -2.487 310 HB3 GLU 42 HB3 GLU 42 2.672 -6.419 -3.901 311 HG2 GLU 42 HG2 GLU 42 0.931 -8.676 -3.444 312 HG3 GLU 42 HG3 GLU 42 -0.035 -7.231 -3.202 313 H THR 43 H THR 43 2.091 -6.486 -0.187 314 HA THR 43 HA THR 43 1.520 -8.738 1.555 315 HB THR 43 HB THR 43 0.525 -5.877 1.719 316 HG1 THR 43 HG1 THR 43 2.962 -6.841 1.878 317 HG21 THR 43 HG21 THR 43 -0.688 -7.298 3.303 318 HG22 THR 43 HG22 THR 43 0.493 -6.330 4.183 319 HG23 THR 43 HG23 THR 43 0.834 -8.041 3.850 320 H SER 44 H SER 44 -0.271 -7.291 -0.995 321 HA SER 44 HA SER 44 -2.426 -7.412 -1.762 322 HB2 SER 44 HB2 SER 44 -3.131 -9.696 -2.262 323 HB3 SER 44 HB3 SER 44 -1.431 -9.387 -2.615 324 HG SER 44 HG SER 44 -1.672 -11.382 -1.599 325 H LEU 45 H LEU 45 -2.648 -6.392 0.717 326 HA LEU 45 HA LEU 45 -4.471 -7.531 2.521 327 HB2 LEU 45 HB2 LEU 45 -3.971 -4.651 1.731 328 HB3 LEU 45 HB3 LEU 45 -5.084 -5.064 3.006 329 HG LEU 45 HG LEU 45 -2.718 -6.433 3.713 330 HD11 LEU 45 HD11 LEU 45 -0.986 -4.640 3.584 331 HD12 LEU 45 HD12 LEU 45 -2.099 -3.613 2.676 332 HD13 LEU 45 HD13 LEU 45 -1.511 -5.114 1.952 333 HD21 LEU 45 HD21 LEU 45 -4.167 -5.252 5.291 334 HD22 LEU 45 HD22 LEU 45 -3.742 -3.706 4.543 335 HD23 LEU 45 HD23 LEU 45 -2.513 -4.641 5.439 336 H SER 46 H SER 46 -5.162 -6.355 -0.600 337 HA SER 46 HA SER 46 -7.951 -5.735 -0.532 338 HB2 SER 46 HB2 SER 46 -7.858 -6.524 -2.955 339 HB3 SER 46 HB3 SER 46 -6.748 -5.218 -2.497 340 HG SER 46 HG SER 46 -6.196 -7.784 -3.348 341 H ALA 47 H ALA 47 -6.348 -8.829 -0.641 342 HA ALA 47 HA ALA 47 -8.986 -10.222 -0.295 343 HB1 ALA 47 HB1 ALA 47 -8.107 -10.673 -2.511 344 HB2 ALA 47 HB2 ALA 47 -6.566 -11.234 -1.812 345 HB3 ALA 47 HB3 ALA 47 -8.073 -12.127 -1.490 346 H GLY 48 H GLY 48 -9.138 -10.620 1.736 347 HA2 GLY 48 HA2 GLY 48 -8.759 -12.089 3.593 348 HA3 GLY 48 HA3 GLY 48 -7.052 -12.188 3.194 349 H SER 49 H SER 49 -7.813 -8.908 3.035 350 HA SER 49 HA SER 49 -7.710 -8.388 5.943 351 HB2 SER 49 HB2 SER 49 -5.418 -8.166 4.292 352 HB3 SER 49 HB3 SER 49 -5.979 -6.507 4.553 353 HG SER 49 HG SER 49 -5.816 -6.839 6.774 354 H ASP 50 H ASP 50 -7.414 -5.551 5.676 355 HA ASP 50 HA ASP 50 -9.527 -4.524 4.031 356 HB2 ASP 50 HB2 ASP 50 -10.515 -5.734 6.249 357 HB3 ASP 50 HB3 ASP 50 -10.049 -4.214 6.993 358 H TRP 51 H TRP 51 -9.843 -2.217 4.662 359 HA TRP 51 HA TRP 51 -7.483 -0.610 4.891 360 HB2 TRP 51 HB2 TRP 51 -9.133 0.592 3.963 361 HB3 TRP 51 HB3 TRP 51 -10.415 -0.214 4.832 362 HD1 TRP 51 HD1 TRP 51 -11.459 1.030 6.834 363 HE1 TRP 51 HE1 TRP 51 -11.016 3.270 8.029 364 HE3 TRP 51 HE3 TRP 51 -6.929 2.161 4.771 365 HZ2 TRP 51 HZ2 TRP 51 -8.981 5.311 8.029 366 HZ3 TRP 51 HZ3 TRP 51 -5.720 4.225 5.425 367 HH2 TRP 51 HH2 TRP 51 -6.742 5.826 7.012 368 H LEU 52 H LEU 52 -9.743 -1.791 7.342 369 HA LEU 52 HA LEU 52 -8.846 -0.314 9.575 370 HB2 LEU 52 HB2 LEU 52 -10.814 -2.192 9.056 371 HB3 LEU 52 HB3 LEU 52 -9.729 -3.119 10.062 372 HG LEU 52 HG LEU 52 -11.499 -2.145 11.362 373 HD11 LEU 52 HD11 LEU 52 -8.982 -0.568 12.018 374 HD12 LEU 52 HD12 LEU 52 -9.264 -2.271 12.452 375 HD13 LEU 52 HD13 LEU 52 -10.305 -0.999 13.118 376 HD21 LEU 52 HD21 LEU 52 -12.031 -0.222 9.907 377 HD22 LEU 52 HD22 LEU 52 -10.589 0.628 10.507 378 HD23 LEU 52 HD23 LEU 52 -11.907 0.220 11.618 379 H THR 53 H THR 53 -7.513 -3.301 8.181 380 HA THR 53 HA THR 53 -5.377 -3.440 10.241 381 HB THR 53 HB THR 53 -4.654 -5.456 8.830 382 HG1 THR 53 HG1 THR 53 -7.342 -5.547 8.067 383 HG21 THR 53 HG21 THR 53 -6.326 -6.908 9.912 384 HG22 THR 53 HG22 THR 53 -7.350 -5.494 10.261 385 HG23 THR 53 HG23 THR 53 -5.754 -5.653 11.024 386 H PHE 54 H PHE 54 -5.759 -2.457 6.867 387 HA PHE 54 HA PHE 54 -3.104 -2.240 6.002 388 HB2 PHE 54 HB2 PHE 54 -5.010 -1.774 4.564 389 HB3 PHE 54 HB3 PHE 54 -5.494 -0.426 5.579 390 HD1 PHE 54 HD1 PHE 54 -3.007 -1.532 3.088 391 HD2 PHE 54 HD2 PHE 54 -4.584 1.763 5.367 392 HE1 PHE 54 HE1 PHE 54 -1.684 0.067 1.722 393 HE2 PHE 54 HE2 PHE 54 -3.295 3.363 3.956 394 HZ PHE 54 HZ PHE 54 -1.816 2.506 2.163 395 H GLN 55 H GLN 55 -4.866 0.106 7.977 396 HA GLN 55 HA GLN 55 -2.816 2.049 8.325 397 HB2 GLN 55 HB2 GLN 55 -5.036 1.110 10.181 398 HB3 GLN 55 HB3 GLN 55 -4.026 2.520 10.518 399 HG2 GLN 55 HG2 GLN 55 -4.913 3.765 8.729 400 HG3 GLN 55 HG3 GLN 55 -5.508 2.332 7.883 401 HE21 GLN 55 HE21 GLN 55 -7.447 1.346 8.496 402 HE22 GLN 55 HE22 GLN 55 -8.558 2.177 9.571 403 H LYS 56 H LYS 56 -3.703 -0.544 10.609 404 HA LYS 56 HA LYS 56 -1.365 -0.246 12.260 405 HB2 LYS 56 HB2 LYS 56 -3.089 -2.741 11.951 406 HB3 LYS 56 HB3 LYS 56 -1.986 -2.395 13.279 407 HG2 LYS 56 HG2 LYS 56 -4.563 -0.906 12.626 408 HG3 LYS 56 HG3 LYS 56 -4.238 -1.961 14.003 409 HD2 LYS 56 HD2 LYS 56 -2.449 -0.328 14.750 410 HD3 LYS 56 HD3 LYS 56 -2.984 0.761 13.448 411 HE2 LYS 56 HE2 LYS 56 -5.267 0.794 14.416 412 HE3 LYS 56 HE3 LYS 56 -4.735 -0.279 15.717 413 HZ1 LYS 56 HZ1 LYS 56 -4.690 2.045 16.419 414 HZ2 LYS 56 HZ2 LYS 56 -3.661 2.450 15.219 415 HZ3 LYS 56 HZ3 LYS 56 -3.170 1.455 16.420 416 H LYS 57 H LYS 57 -1.603 -1.918 9.264 417 HA LYS 57 HA LYS 57 0.705 -3.605 9.584 418 HB2 LYS 57 HB2 LYS 57 -1.204 -3.844 7.944 419 HB3 LYS 57 HB3 LYS 57 -0.452 -2.627 6.934 420 HG2 LYS 57 HG2 LYS 57 1.149 -5.030 7.878 421 HG3 LYS 57 HG3 LYS 57 -0.055 -5.256 6.617 422 HD2 LYS 57 HD2 LYS 57 1.056 -3.882 5.067 423 HD3 LYS 57 HD3 LYS 57 2.077 -3.130 6.304 424 HE2 LYS 57 HE2 LYS 57 3.302 -5.163 6.695 425 HE3 LYS 57 HE3 LYS 57 2.202 -6.104 5.682 426 HZ1 LYS 57 HZ1 LYS 57 3.879 -3.903 4.598 427 HZ2 LYS 57 HZ2 LYS 57 3.011 -5.027 3.746 428 HZ3 LYS 57 HZ3 LYS 57 4.324 -5.477 4.578 429 H HIS 58 H HIS 58 0.479 -0.328 8.055 430 HA HIS 58 HA HIS 58 3.369 0.058 8.627 431 HB2 HIS 58 HB2 HIS 58 4.041 0.370 6.377 432 HB3 HIS 58 HB3 HIS 58 3.224 -1.172 6.429 433 HD1 HIS 58 HD1 HIS 58 3.217 2.048 4.691 434 HD2 HIS 58 HD2 HIS 58 0.358 -0.916 5.653 435 HE1 HIS 58 HE1 HIS 58 1.095 2.512 3.239 436 HE2 HIS 58 HE2 HIS 58 -0.621 0.703 3.874 437 H ILE 59 H ILE 59 0.843 1.471 9.410 438 HA ILE 59 HA ILE 59 1.709 4.245 8.694 439 HB ILE 59 HB ILE 59 -1.203 3.414 8.911 440 HG12 ILE 59 HG12 ILE 59 0.609 3.797 6.513 441 HG13 ILE 59 HG13 ILE 59 -0.470 2.456 6.872 442 HG21 ILE 59 HG21 ILE 59 0.001 6.063 8.037 443 HG22 ILE 59 HG22 ILE 59 -1.725 5.673 8.166 444 HG23 ILE 59 HG23 ILE 59 -0.769 5.761 9.613 445 HD11 ILE 59 HD11 ILE 59 -1.314 3.753 5.023 446 HD12 ILE 59 HD12 ILE 59 -2.430 3.930 6.403 447 HD13 ILE 59 HD13 ILE 59 -1.300 5.242 5.962 448 H THR 60 H THR 60 1.493 5.758 10.316 449 HA THR 60 HA THR 60 0.401 4.912 12.942 450 HB THR 60 HB THR 60 2.663 4.035 13.051 451 HG1 THR 60 HG1 THR 60 3.274 5.248 14.928 452 HG21 THR 60 HG21 THR 60 4.632 5.463 13.105 453 HG22 THR 60 HG22 THR 60 3.659 6.901 12.720 454 HG23 THR 60 HG23 THR 60 3.852 5.597 11.527 455 H ASN 61 H ASN 61 0.151 6.534 14.487 456 HA ASN 61 HA ASN 61 -0.013 9.342 13.526 457 HB2 ASN 61 HB2 ASN 61 -1.137 7.841 15.937 458 HB3 ASN 61 HB3 ASN 61 -1.231 9.583 15.746 459 HD21 ASN 61 HD21 ASN 61 -2.977 6.763 15.168 460 HD22 ASN 61 HD22 ASN 61 -4.032 7.447 13.939 461 H THR 62 H THR 62 2.341 7.432 14.836 462 HA THR 62 HA THR 62 3.953 9.705 15.647 463 HB THR 62 HB THR 62 2.850 9.435 17.745 464 HG1 THR 62 HG1 THR 62 4.669 9.024 19.012 465 HG21 THR 62 HG21 THR 62 2.876 7.492 19.146 466 HG22 THR 62 HG22 THR 62 3.796 6.553 17.963 467 HG23 THR 62 HG23 THR 62 2.123 7.039 17.611 468 H ARG 63 H ARG 63 5.808 9.303 14.547 469 HA ARG 63 HA ARG 63 6.710 6.615 13.891 470 HB2 ARG 63 HB2 ARG 63 7.299 8.583 12.468 471 HB3 ARG 63 HB3 ARG 63 8.327 9.192 13.788 472 HG2 ARG 63 HG2 ARG 63 9.556 6.919 13.669 473 HG3 ARG 63 HG3 ARG 63 8.547 6.567 12.260 474 HD2 ARG 63 HD2 ARG 63 10.495 7.266 11.316 475 HD3 ARG 63 HD3 ARG 63 9.525 8.737 11.239 476 HE ARG 63 HE ARG 63 11.873 8.133 12.982 477 HH11 ARG 63 HH11 ARG 63 9.498 10.603 12.261 478 HH12 ARG 63 HH12 ARG 63 10.455 11.846 13.019 479 HH21 ARG 63 HH21 ARG 63 13.038 9.750 13.877 480 HH22 ARG 63 HH22 ARG 63 12.411 11.368 13.896 481 H ASP 64 H ASP 64 7.014 5.367 15.592 482 HA ASP 64 HA ASP 64 9.003 6.146 17.673 483 HB2 ASP 64 HB2 ASP 64 6.623 5.588 18.314 484 HB3 ASP 64 HB3 ASP 64 6.908 3.945 17.744 485 H VAL 65 H VAL 65 9.185 4.632 14.851 486 HA VAL 65 HA VAL 65 10.623 2.191 15.585 487 HB VAL 65 HB VAL 65 9.294 2.203 13.583 488 HG11 VAL 65 HG11 VAL 65 9.404 4.501 12.824 489 HG12 VAL 65 HG12 VAL 65 11.150 4.365 12.493 490 HG13 VAL 65 HG13 VAL 65 9.982 3.438 11.543 491 HG21 VAL 65 HG21 VAL 65 12.183 2.082 12.696 492 HG22 VAL 65 HG22 VAL 65 11.413 0.836 13.723 493 HG23 VAL 65 HG23 VAL 65 10.812 1.146 12.099 494 H ASP 66 H ASP 66 12.740 1.804 15.574 495 HA ASP 66 HA ASP 66 14.713 3.917 14.788 496 HB2 ASP 66 HB2 ASP 66 14.352 3.651 17.291 497 HB3 ASP 66 HB3 ASP 66 14.984 2.016 17.135 498 H CYS 67 H CYS 67 13.550 1.207 13.703 499 HA CYS 67 HA CYS 67 14.142 -0.747 12.709 500 HB2 CYS 67 HB2 CYS 67 16.387 0.936 11.601 501 HB3 CYS 67 HB3 CYS 67 15.599 -0.458 10.852 502 H ASP 68 H ASP 68 14.727 -1.183 15.082 503 HA ASP 68 HA ASP 68 16.695 -3.186 15.183 504 HB2 ASP 68 HB2 ASP 68 17.683 -0.527 15.943 505 HB3 ASP 68 HB3 ASP 68 17.772 -1.615 17.307 506 H ASN 69 H ASN 69 14.277 -1.257 16.808 507 HA ASN 69 HA ASN 69 14.001 -3.243 18.998 508 HB2 ASN 69 HB2 ASN 69 12.857 -0.440 18.711 509 HB3 ASN 69 HB3 ASN 69 12.684 -1.501 20.106 510 HD21 ASN 69 HD21 ASN 69 14.818 0.678 18.440 511 HD22 ASN 69 HD22 ASN 69 16.148 0.547 19.567 512 H ILE 70 H ILE 70 12.662 -2.765 15.965 513 HA ILE 70 HA ILE 70 9.866 -3.121 16.403 514 HB ILE 70 HB ILE 70 9.751 -3.667 14.034 515 HG12 ILE 70 HG12 ILE 70 12.784 -3.939 14.233 516 HG13 ILE 70 HG13 ILE 70 11.603 -5.108 13.636 517 HG21 ILE 70 HG21 ILE 70 11.727 -1.410 14.545 518 HG22 ILE 70 HG22 ILE 70 10.506 -1.520 13.255 519 HG23 ILE 70 HG23 ILE 70 9.994 -1.330 14.931 520 HD11 ILE 70 HD11 ILE 70 12.768 -4.183 11.766 521 HD12 ILE 70 HD12 ILE 70 11.114 -3.532 11.733 522 HD13 ILE 70 HD13 ILE 70 12.474 -2.526 12.302 523 H MET 71 H MET 71 12.318 -5.301 16.913 524 HA MET 71 HA MET 71 11.013 -7.849 16.672 525 HB2 MET 71 HB2 MET 71 12.531 -8.633 18.383 526 HB3 MET 71 HB3 MET 71 13.363 -7.601 17.238 527 HG2 MET 71 HG2 MET 71 14.260 -6.845 19.205 528 HG3 MET 71 HG3 MET 71 12.966 -5.686 18.977 529 HE1 MET 71 HE1 MET 71 14.603 -8.367 21.176 530 HE2 MET 71 HE2 MET 71 13.291 -8.974 22.206 531 HE3 MET 71 HE3 MET 71 13.322 -9.385 20.479 532 H SER 72 H SER 72 10.311 -5.200 18.836 533 HA SER 72 HA SER 72 8.497 -6.834 20.528 534 HB2 SER 72 HB2 SER 72 10.145 -5.164 21.449 535 HB3 SER 72 HB3 SER 72 9.172 -3.880 20.711 536 HG SER 72 HG SER 72 8.632 -4.302 22.928 537 H THR 73 H THR 73 8.244 -4.728 17.744 538 HA THR 73 HA THR 73 5.393 -4.061 18.241 539 HB THR 73 HB THR 73 5.482 -2.655 16.326 540 HG1 THR 73 HG1 THR 73 7.390 -2.482 15.100 541 HG21 THR 73 HG21 THR 73 8.113 -2.234 17.803 542 HG22 THR 73 HG22 THR 73 6.516 -1.707 18.379 543 HG23 THR 73 HG23 THR 73 7.189 -1.031 16.886 544 H ASN 74 H ASN 74 4.116 -4.191 15.952 545 HA ASN 74 HA ASN 74 3.639 -6.967 15.413 546 HB2 ASN 74 HB2 ASN 74 2.840 -4.510 13.786 547 HB3 ASN 74 HB3 ASN 74 2.138 -6.118 13.647 548 HD21 ASN 74 HD21 ASN 74 1.838 -3.099 15.204 549 HD22 ASN 74 HD22 ASN 74 0.688 -3.633 16.423 550 H LEU 75 H LEU 75 5.975 -4.822 14.067 551 HA LEU 75 HA LEU 75 6.345 -6.286 11.537 552 HB2 LEU 75 HB2 LEU 75 7.534 -3.770 12.753 553 HB3 LEU 75 HB3 LEU 75 8.111 -4.436 11.255 554 HG LEU 75 HG LEU 75 6.697 -2.643 10.740 555 HD11 LEU 75 HD11 LEU 75 5.135 -3.637 9.191 556 HD12 LEU 75 HD12 LEU 75 5.137 -5.166 10.072 557 HD13 LEU 75 HD13 LEU 75 6.605 -4.623 9.226 558 HD21 LEU 75 HD21 LEU 75 4.386 -2.408 11.254 559 HD22 LEU 75 HD22 LEU 75 5.257 -2.642 12.780 560 HD23 LEU 75 HD23 LEU 75 4.324 -3.980 12.054 561 H PHE 76 H PHE 76 7.060 -7.570 14.187 562 HA PHE 76 HA PHE 76 9.878 -7.788 14.480 563 HB2 PHE 76 HB2 PHE 76 9.414 -9.568 15.958 564 HB3 PHE 76 HB3 PHE 76 8.190 -8.336 16.209 565 HD1 PHE 76 HD1 PHE 76 5.815 -8.757 15.437 566 HD2 PHE 76 HD2 PHE 76 8.864 -11.788 15.168 567 HE1 PHE 76 HE1 PHE 76 4.064 -10.479 15.113 568 HE2 PHE 76 HE2 PHE 76 7.106 -13.520 14.853 569 HZ PHE 76 HZ PHE 76 4.705 -12.867 14.822 570 H HIS 77 H HIS 77 8.053 -8.907 11.944 571 HA HIS 77 HA HIS 77 9.085 -11.510 11.465 572 HB2 HIS 77 HB2 HIS 77 6.985 -10.493 10.528 573 HB3 HIS 77 HB3 HIS 77 7.973 -9.537 9.427 574 HD1 HIS 77 HD1 HIS 77 7.380 -13.312 10.234 575 HD2 HIS 77 HD2 HIS 77 8.456 -10.664 7.122 576 HE1 HIS 77 HE1 HIS 77 7.597 -14.740 8.105 577 HE2 HIS 77 HE2 HIS 77 8.238 -13.123 6.204 578 H CYS 78 H CYS 78 10.872 -8.733 11.374 579 HA CYS 78 HA CYS 78 12.768 -7.961 10.392 580 HB2 CYS 78 HB2 CYS 78 13.171 -10.604 11.300 581 HB3 CYS 78 HB3 CYS 78 14.094 -10.474 9.824 582 H LYS 79 H LYS 79 10.677 -8.158 8.555 583 HA LYS 79 HA LYS 79 11.307 -9.189 6.006 584 HB2 LYS 79 HB2 LYS 79 9.639 -7.472 5.155 585 HB3 LYS 79 HB3 LYS 79 9.099 -8.620 6.355 586 HG2 LYS 79 HG2 LYS 79 8.133 -6.518 6.854 587 HG3 LYS 79 HG3 LYS 79 9.259 -6.926 8.135 588 HD2 LYS 79 HD2 LYS 79 10.468 -5.299 5.971 589 HD3 LYS 79 HD3 LYS 79 9.081 -4.523 6.694 590 HE2 LYS 79 HE2 LYS 79 11.415 -5.611 8.334 591 HE3 LYS 79 HE3 LYS 79 11.394 -3.978 7.675 592 HZ1 LYS 79 HZ1 LYS 79 10.559 -4.020 9.945 593 HZ2 LYS 79 HZ2 LYS 79 9.362 -5.055 9.557 594 HZ3 LYS 79 HZ3 LYS 79 9.356 -3.532 8.949 595 H ASP 80 H ASP 80 11.767 -8.102 4.008 596 HA ASP 80 HA ASP 80 14.384 -7.043 4.079 597 HB2 ASP 80 HB2 ASP 80 14.217 -6.944 1.661 598 HB3 ASP 80 HB3 ASP 80 13.581 -8.456 2.293 599 H LYS 81 H LYS 81 11.332 -5.293 3.590 600 HA LYS 81 HA LYS 81 12.498 -2.971 4.784 601 HB2 LYS 81 HB2 LYS 81 11.955 -1.326 2.942 602 HB3 LYS 81 HB3 LYS 81 13.335 -2.355 2.618 603 HG2 LYS 81 HG2 LYS 81 12.310 -3.554 0.988 604 HG3 LYS 81 HG3 LYS 81 10.666 -3.256 1.581 605 HD2 LYS 81 HD2 LYS 81 12.383 -1.103 0.286 606 HD3 LYS 81 HD3 LYS 81 11.234 -2.115 -0.593 607 HE2 LYS 81 HE2 LYS 81 9.387 -1.310 0.839 608 HE3 LYS 81 HE3 LYS 81 10.511 -0.291 1.748 609 HZ1 LYS 81 HZ1 LYS 81 10.954 0.944 -0.304 610 HZ2 LYS 81 HZ2 LYS 81 9.363 0.983 0.042 611 HZ3 LYS 81 HZ3 LYS 81 9.916 0.003 -1.148 612 H ASN 82 H ASN 82 10.983 -1.213 5.118 613 HA ASN 82 HA ASN 82 8.138 -1.813 4.506 614 HB2 ASN 82 HB2 ASN 82 8.830 -2.350 6.998 615 HB3 ASN 82 HB3 ASN 82 8.855 -0.604 7.200 616 HD21 ASN 82 HD21 ASN 82 7.092 -0.898 8.776 617 HD22 ASN 82 HD22 ASN 82 5.502 -1.384 8.225 618 H THR 83 H THR 83 6.752 0.114 4.664 619 HA THR 83 HA THR 83 8.190 2.732 4.399 620 HB THR 83 HB THR 83 5.713 1.915 2.826 621 HG1 THR 83 HG1 THR 83 7.522 0.846 2.053 622 HG21 THR 83 HG21 THR 83 6.013 4.008 1.677 623 HG22 THR 83 HG22 THR 83 7.550 4.318 2.510 624 HG23 THR 83 HG23 THR 83 6.024 4.378 3.403 625 H PHE 84 H PHE 84 7.779 3.421 6.496 626 HA PHE 84 HA PHE 84 5.086 3.254 7.647 627 HB2 PHE 84 HB2 PHE 84 7.545 4.596 8.725 628 HB3 PHE 84 HB3 PHE 84 5.999 4.490 9.540 629 HD1 PHE 84 HD2 PHE 84 5.046 2.022 9.882 630 HD2 PHE 84 HD1 PHE 84 9.186 3.064 9.235 631 HE1 PHE 84 HE2 PHE 84 5.750 -0.085 10.997 632 HE2 PHE 84 HE1 PHE 84 9.875 0.857 10.161 633 HZ PHE 84 HZ PHE 84 8.164 -0.681 11.134 634 H ILE 85 H ILE 85 3.582 4.665 7.253 635 HA ILE 85 HA ILE 85 4.194 7.407 6.201 636 HB ILE 85 HB ILE 85 1.637 5.781 6.317 637 HG12 ILE 85 HG12 ILE 85 3.202 6.663 3.846 638 HG13 ILE 85 HG13 ILE 85 3.403 5.080 4.598 639 HG21 ILE 85 HG21 ILE 85 1.160 8.209 6.543 640 HG22 ILE 85 HG22 ILE 85 2.058 8.518 5.041 641 HG23 ILE 85 HG23 ILE 85 0.557 7.559 5.037 642 HD11 ILE 85 HD11 ILE 85 0.843 6.131 3.356 643 HD12 ILE 85 HD12 ILE 85 1.872 4.807 2.790 644 HD13 ILE 85 HD13 ILE 85 0.966 4.644 4.317 645 H TYR 86 H TYR 86 4.455 8.906 7.832 646 HA TYR 86 HA TYR 86 2.789 8.684 10.265 647 HB2 TYR 86 HB2 TYR 86 5.110 9.228 10.591 648 HB3 TYR 86 HB3 TYR 86 4.963 10.591 9.494 649 HD1 TYR 86 HD1 TYR 86 2.155 10.086 11.870 650 HD2 TYR 86 HD2 TYR 86 6.005 11.959 11.281 651 HE1 TYR 86 HE1 TYR 86 1.674 11.669 13.698 652 HE2 TYR 86 HE2 TYR 86 5.516 13.530 13.141 653 HH TYR 86 HH TYR 86 3.982 14.213 14.700 654 H SER 87 H SER 87 0.760 8.872 9.271 655 HA SER 87 HA SER 87 -0.079 11.677 9.174 656 HB2 SER 87 HB2 SER 87 -1.385 11.544 7.174 657 HB3 SER 87 HB3 SER 87 0.258 11.041 6.768 658 HG SER 87 HG SER 87 -2.071 9.449 7.071 659 H ARG 88 H ARG 88 -2.474 11.856 9.250 660 HA ARG 88 HA ARG 88 -3.732 9.960 11.132 661 HB2 ARG 88 HB2 ARG 88 -4.504 12.616 9.844 662 HB3 ARG 88 HB3 ARG 88 -5.742 11.605 10.590 663 HG2 ARG 88 HG2 ARG 88 -4.419 11.514 12.687 664 HG3 ARG 88 HG3 ARG 88 -3.242 12.639 11.989 665 HD2 ARG 88 HD2 ARG 88 -4.636 14.450 12.235 666 HD3 ARG 88 HD3 ARG 88 -6.091 13.519 11.832 667 HE ARG 88 HE ARG 88 -5.107 12.674 14.386 668 HH11 ARG 88 HH11 ARG 88 -6.779 15.415 13.011 669 HH12 ARG 88 HH12 ARG 88 -7.688 15.712 14.468 670 HH21 ARG 88 HH21 ARG 88 -6.304 13.074 16.202 671 HH22 ARG 88 HH22 ARG 88 -7.411 14.415 16.231 672 HA PRO 89 HA PRO 89 -5.892 7.586 8.082 673 HB2 PRO 89 HB2 PRO 89 -8.384 7.153 9.190 674 HB3 PRO 89 HB3 PRO 89 -6.876 6.368 9.751 675 HG2 PRO 89 HG2 PRO 89 -8.241 8.830 10.879 676 HG3 PRO 89 HG3 PRO 89 -7.631 7.394 11.767 677 HD2 PRO 89 HD2 PRO 89 -6.164 9.656 11.593 678 HD3 PRO 89 HD3 PRO 89 -5.379 8.057 11.474 679 H GLU 90 H GLU 90 -7.302 10.675 8.979 680 HA GLU 90 HA GLU 90 -9.510 10.746 7.156 681 HB2 GLU 90 HB2 GLU 90 -7.925 12.819 8.669 682 HB3 GLU 90 HB3 GLU 90 -9.064 13.339 7.429 683 HG2 GLU 90 HG2 GLU 90 -9.844 11.486 9.716 684 HG3 GLU 90 HG3 GLU 90 -9.904 13.240 9.835 685 HA PRO 91 HA PRO 91 -6.805 12.888 3.865 686 HB2 PRO 91 HB2 PRO 91 -4.066 12.978 4.101 687 HB3 PRO 91 HB3 PRO 91 -5.147 14.233 4.775 688 HG2 PRO 91 HG2 PRO 91 -3.896 11.856 6.180 689 HG3 PRO 91 HG3 PRO 91 -3.952 13.563 6.731 690 HD2 PRO 91 HD2 PRO 91 -5.710 11.717 7.624 691 HD3 PRO 91 HD3 PRO 91 -6.232 13.384 7.329 692 H VAL 92 H VAL 92 -6.388 9.898 5.137 693 HA VAL 92 HA VAL 92 -5.077 8.677 2.722 694 HB VAL 92 HB VAL 92 -5.717 7.391 5.405 695 HG11 VAL 92 HG11 VAL 92 -5.482 5.757 3.613 696 HG12 VAL 92 HG12 VAL 92 -3.972 6.512 3.062 697 HG13 VAL 92 HG13 VAL 92 -4.043 5.698 4.637 698 HG21 VAL 92 HG21 VAL 92 -3.956 9.228 5.628 699 HG22 VAL 92 HG22 VAL 92 -3.425 7.605 6.054 700 HG23 VAL 92 HG23 VAL 92 -2.966 8.298 4.495 701 H LYS 93 H LYS 93 -7.878 8.114 4.895 702 HA LYS 93 HA LYS 93 -9.176 6.347 3.034 703 HB2 LYS 93 HB2 LYS 93 -9.556 6.869 5.683 704 HB3 LYS 93 HB3 LYS 93 -10.885 7.812 4.999 705 HG2 LYS 93 HG2 LYS 93 -11.237 5.548 3.574 706 HG3 LYS 93 HG3 LYS 93 -10.384 4.830 4.947 707 HD2 LYS 93 HD2 LYS 93 -12.999 6.423 5.071 708 HD3 LYS 93 HD3 LYS 93 -12.826 4.670 5.076 709 HE2 LYS 93 HE2 LYS 93 -13.080 4.996 7.291 710 HE3 LYS 93 HE3 LYS 93 -11.322 4.991 7.148 711 HZ1 LYS 93 HZ1 LYS 93 -13.007 7.429 7.340 712 HZ2 LYS 93 HZ2 LYS 93 -11.370 7.428 7.246 713 HZ3 LYS 93 HZ3 LYS 93 -12.119 6.798 8.553 714 H ALA 94 H ALA 94 -9.572 9.817 3.620 715 HA ALA 94 HA ALA 94 -11.921 10.086 1.957 716 HB1 ALA 94 HB1 ALA 94 -11.392 11.505 3.942 717 HB2 ALA 94 HB2 ALA 94 -10.053 12.236 3.012 718 HB3 ALA 94 HB3 ALA 94 -11.730 12.440 2.469 719 H ILE 95 H ILE 95 -8.665 9.795 1.033 720 HA ILE 95 HA ILE 95 -8.463 11.436 -1.252 721 HB ILE 95 HB ILE 95 -7.509 8.552 -1.029 722 HG12 ILE 95 HG12 ILE 95 -5.945 11.093 -0.354 723 HG13 ILE 95 HG13 ILE 95 -6.712 10.066 0.850 724 HG21 ILE 95 HG21 ILE 95 -6.396 10.847 -2.720 725 HG22 ILE 95 HG22 ILE 95 -5.852 9.160 -2.715 726 HG23 ILE 95 HG23 ILE 95 -7.423 9.562 -3.357 727 HD11 ILE 95 HD11 ILE 95 -4.450 9.208 -0.993 728 HD12 ILE 95 HD12 ILE 95 -4.381 9.501 0.743 729 HD13 ILE 95 HD13 ILE 95 -5.319 8.134 0.131 730 H CYS 96 H CYS 96 -10.322 8.461 -0.759 731 HA CYS 96 HA CYS 96 -11.573 8.771 -3.457 732 HB2 CYS 96 HB2 CYS 96 -12.172 6.405 -3.269 733 HB3 CYS 96 HB3 CYS 96 -10.432 6.689 -3.350 734 H LYS 97 H LYS 97 -13.786 8.327 -3.635 735 HA LYS 97 HA LYS 97 -15.533 8.211 -1.290 736 HB2 LYS 97 HB2 LYS 97 -14.860 10.678 -1.621 737 HB3 LYS 97 HB3 LYS 97 -15.730 10.630 -3.142 738 HG2 LYS 97 HG2 LYS 97 -17.171 11.592 -1.515 739 HG3 LYS 97 HG3 LYS 97 -17.820 9.979 -1.836 740 HD2 LYS 97 HD2 LYS 97 -16.862 9.133 0.261 741 HD3 LYS 97 HD3 LYS 97 -15.981 10.655 0.514 742 HE2 LYS 97 HE2 LYS 97 -18.142 11.872 0.664 743 HE3 LYS 97 HE3 LYS 97 -19.016 10.353 0.437 744 HZ1 LYS 97 HZ1 LYS 97 -17.192 10.941 2.712 745 HZ2 LYS 97 HZ2 LYS 97 -18.019 9.545 2.510 746 HZ3 LYS 97 HZ3 LYS 97 -18.821 10.937 2.792 747 H GLY 98 H GLY 98 -16.737 6.526 -1.941 748 HA2 GLY 98 HA2 GLY 98 -18.490 5.478 -3.103 749 HA3 GLY 98 HA3 GLY 98 -18.422 6.714 -4.347 750 H ILE 99 H ILE 99 -15.308 5.475 -3.843 751 HA ILE 99 HA ILE 99 -15.321 4.115 -6.418 752 HB ILE 99 HB ILE 99 -13.074 4.561 -4.428 753 HG12 ILE 99 HG12 ILE 99 -13.922 5.970 -7.004 754 HG13 ILE 99 HG13 ILE 99 -13.945 6.637 -5.374 755 HG21 ILE 99 HG21 ILE 99 -12.583 2.566 -5.802 756 HG22 ILE 99 HG22 ILE 99 -13.004 3.466 -7.287 757 HG23 ILE 99 HG23 ILE 99 -11.588 3.904 -6.316 758 HD11 ILE 99 HD11 ILE 99 -11.388 6.345 -5.363 759 HD12 ILE 99 HD12 ILE 99 -11.533 6.087 -7.112 760 HD13 ILE 99 HD13 ILE 99 -12.076 7.613 -6.391 761 H ILE 100 H ILE 100 -15.999 2.192 -6.664 762 HA ILE 100 HA ILE 100 -15.448 -0.007 -4.703 763 HB ILE 100 HB ILE 100 -17.534 -0.020 -6.914 764 HG12 ILE 100 HG12 ILE 100 -17.760 0.922 -4.029 765 HG13 ILE 100 HG13 ILE 100 -18.132 1.836 -5.491 766 HG21 ILE 100 HG21 ILE 100 -17.372 -1.598 -4.323 767 HG22 ILE 100 HG22 ILE 100 -18.525 -1.850 -5.642 768 HG23 ILE 100 HG23 ILE 100 -16.839 -2.250 -5.890 769 HD11 ILE 100 HD11 ILE 100 -20.192 1.299 -4.470 770 HD12 ILE 100 HD12 ILE 100 -20.059 0.289 -5.925 771 HD13 ILE 100 HD13 ILE 100 -19.775 -0.410 -4.307 772 H ALA 101 H ALA 101 -14.457 1.263 -7.634 773 HA ALA 101 HA ALA 101 -14.051 -1.036 -9.271 774 HB1 ALA 101 HB1 ALA 101 -14.496 1.274 -10.062 775 HB2 ALA 101 HB2 ALA 101 -12.902 1.786 -9.452 776 HB3 ALA 101 HB3 ALA 101 -13.020 0.609 -10.777 777 H SER 102 H SER 102 -12.348 -0.740 -6.539 778 HA SER 102 HA SER 102 -10.202 -0.993 -5.788 779 HB2 SER 102 HB2 SER 102 -10.855 -3.233 -6.736 780 HB3 SER 102 HB3 SER 102 -9.822 -2.861 -8.120 781 HG SER 102 HG SER 102 -9.122 -3.214 -5.385 782 H LYS 103 H LYS 103 -9.861 1.348 -6.493 783 HA LYS 103 HA LYS 103 -7.285 1.644 -7.808 784 HB2 LYS 103 HB2 LYS 103 -9.134 1.556 -9.679 785 HB3 LYS 103 HB3 LYS 103 -9.510 3.200 -9.172 786 HG2 LYS 103 HG2 LYS 103 -7.246 3.935 -9.731 787 HG3 LYS 103 HG3 LYS 103 -6.701 2.256 -9.918 788 HD2 LYS 103 HD2 LYS 103 -8.294 1.985 -11.837 789 HD3 LYS 103 HD3 LYS 103 -8.682 3.716 -11.717 790 HE2 LYS 103 HE2 LYS 103 -6.316 4.288 -12.133 791 HE3 LYS 103 HE3 LYS 103 -5.877 2.575 -12.129 792 HZ1 LYS 103 HZ1 LYS 103 -7.276 2.273 -14.102 793 HZ2 LYS 103 HZ2 LYS 103 -6.134 3.400 -14.392 794 HZ3 LYS 103 HZ3 LYS 103 -7.677 3.858 -14.117 795 H ASN 104 H ASN 104 -6.357 3.833 -7.429 796 HA ASN 104 HA ASN 104 -8.135 5.823 -6.215 797 HB2 ASN 104 HB2 ASN 104 -6.676 4.236 -4.536 798 HB3 ASN 104 HB3 ASN 104 -5.500 5.500 -4.814 799 HD21 ASN 104 HD21 ASN 104 -6.671 4.974 -2.276 800 HD22 ASN 104 HD22 ASN 104 -7.504 6.449 -1.832 801 H VAL 105 H VAL 105 -6.321 7.752 -5.545 802 HA VAL 105 HA VAL 105 -4.578 8.260 -7.913 803 HB VAL 105 HB VAL 105 -6.217 10.393 -6.477 804 HG11 VAL 105 HG11 VAL 105 -4.158 11.245 -7.554 805 HG12 VAL 105 HG12 VAL 105 -4.619 10.458 -9.081 806 HG13 VAL 105 HG13 VAL 105 -5.585 11.794 -8.421 807 HG21 VAL 105 HG21 VAL 105 -7.813 9.017 -7.722 808 HG22 VAL 105 HG22 VAL 105 -7.573 10.547 -8.562 809 HG23 VAL 105 HG23 VAL 105 -6.778 9.076 -9.170 810 H LEU 106 H LEU 106 -2.578 9.033 -7.367 811 HA LEU 106 HA LEU 106 -1.430 8.981 -4.831 812 HB2 LEU 106 HB2 LEU 106 -0.225 9.155 -7.029 813 HB3 LEU 106 HB3 LEU 106 -0.805 10.800 -7.211 814 HG LEU 106 HG LEU 106 0.549 11.392 -5.130 815 HD11 LEU 106 HD11 LEU 106 2.228 9.911 -4.328 816 HD12 LEU 106 HD12 LEU 106 1.865 8.713 -5.600 817 HD13 LEU 106 HD13 LEU 106 0.691 9.034 -4.320 818 HD21 LEU 106 HD21 LEU 106 2.699 11.401 -6.335 819 HD22 LEU 106 HD22 LEU 106 1.356 11.917 -7.366 820 HD23 LEU 106 HD23 LEU 106 2.015 10.280 -7.539 821 H THR 107 H THR 107 -1.140 10.417 -3.138 822 HA THR 107 HA THR 107 -2.978 12.597 -2.742 823 HB THR 107 HB THR 107 -0.780 13.055 -1.020 824 HG1 THR 107 HG1 THR 107 -1.397 10.321 -0.958 825 HG21 THR 107 HG21 THR 107 -3.367 11.478 -0.630 826 HG22 THR 107 HG22 THR 107 -3.131 13.214 -0.335 827 HG23 THR 107 HG23 THR 107 -2.317 12.014 0.689 828 H THR 108 H THR 108 -2.157 14.779 -1.990 829 HA THR 108 HA THR 108 -0.255 15.956 -4.005 830 HB THR 108 HB THR 108 -2.621 16.429 -4.489 831 HG1 THR 108 HG1 THR 108 -1.073 18.698 -3.782 832 HG21 THR 108 HG21 THR 108 -2.583 18.173 -1.986 833 HG22 THR 108 HG22 THR 108 -3.535 16.685 -2.200 834 HG23 THR 108 HG23 THR 108 -3.855 18.095 -3.217 835 H SER 109 H SER 109 -1.256 15.985 -0.638 836 HA SER 109 HA SER 109 0.575 18.103 0.210 837 HB2 SER 109 HB2 SER 109 -0.886 15.970 1.814 838 HB3 SER 109 HB3 SER 109 -0.100 17.413 2.471 839 HG SER 109 HG SER 109 -1.602 18.691 1.306 840 H GLU 110 H GLU 110 2.165 17.543 2.022 841 HA GLU 110 HA GLU 110 3.774 15.148 1.251 842 HB2 GLU 110 HB2 GLU 110 4.884 17.861 2.004 843 HB3 GLU 110 HB3 GLU 110 5.777 16.430 1.471 844 HG2 GLU 110 HG2 GLU 110 4.230 16.535 -0.640 845 HG3 GLU 110 HG3 GLU 110 3.894 18.192 -0.143 846 H PHE 111 H PHE 111 3.844 13.699 2.757 847 HA PHE 111 HA PHE 111 3.405 14.416 5.612 848 HB2 PHE 111 HB2 PHE 111 3.096 11.700 4.295 849 HB3 PHE 111 HB3 PHE 111 2.463 12.226 5.845 850 HD1 PHE 111 HD1 PHE 111 2.107 12.464 2.171 851 HD2 PHE 111 HD2 PHE 111 0.278 13.373 5.965 852 HE1 PHE 111 HE1 PHE 111 0.014 13.039 1.013 853 HE2 PHE 111 HE2 PHE 111 -1.839 13.932 4.799 854 HZ PHE 111 HZ PHE 111 -1.972 13.752 2.302 855 H TYR 112 H TYR 112 4.546 12.994 7.215 856 HA TYR 112 HA TYR 112 7.387 12.837 6.580 857 HB2 TYR 112 HB2 TYR 112 5.723 12.761 8.987 858 HB3 TYR 112 HB3 TYR 112 6.975 11.526 9.010 859 HD1 TYR 112 HD2 TYR 112 6.593 15.182 8.184 860 HD2 TYR 112 HD1 TYR 112 9.064 12.057 9.834 861 HE1 TYR 112 HE2 TYR 112 8.292 16.882 8.854 862 HE2 TYR 112 HE1 TYR 112 10.761 13.765 10.517 863 HH TYR 112 HH TYR 112 10.309 17.256 9.866 864 H LEU 113 H LEU 113 8.140 11.347 5.337 865 HA LEU 113 HA LEU 113 7.024 8.588 5.350 866 HB2 LEU 113 HB2 LEU 113 8.053 10.415 3.297 867 HB3 LEU 113 HB3 LEU 113 8.873 8.872 3.235 868 HG LEU 113 HG LEU 113 6.922 9.028 1.764 869 HD11 LEU 113 HD11 LEU 113 5.984 6.840 2.250 870 HD12 LEU 113 HD12 LEU 113 6.559 6.918 3.927 871 HD13 LEU 113 HD13 LEU 113 7.722 6.839 2.587 872 HD21 LEU 113 HD21 LEU 113 5.147 8.973 4.224 873 HD22 LEU 113 HD22 LEU 113 4.655 8.947 2.520 874 HD23 LEU 113 HD23 LEU 113 5.427 10.393 3.194 875 H SER 114 H SER 114 7.991 7.020 6.245 876 HA SER 114 HA SER 114 10.887 7.183 6.977 877 HB2 SER 114 HB2 SER 114 9.577 7.743 8.915 878 HB3 SER 114 HB3 SER 114 8.529 6.358 8.677 879 HG SER 114 HG SER 114 10.014 5.695 10.165 880 H ASP 115 H ASP 115 11.643 5.893 5.377 881 HA ASP 115 HA ASP 115 10.598 3.127 5.075 882 HB2 ASP 115 HB2 ASP 115 12.792 4.699 3.692 883 HB3 ASP 115 HB3 ASP 115 12.497 2.988 3.406 884 H CYS 116 H CYS 116 12.106 1.315 5.293 885 HA CYS 116 HA CYS 116 14.820 1.861 6.160 886 HB2 CYS 116 HB2 CYS 116 12.860 0.859 8.118 887 HB3 CYS 116 HB3 CYS 116 14.210 -0.245 7.907 888 H ASN 117 H ASN 117 16.205 0.284 5.370 889 HA ASN 117 HA ASN 117 14.991 -2.028 3.905 890 HB2 ASN 117 HB2 ASN 117 16.967 0.077 2.914 891 HB3 ASN 117 HB3 ASN 117 16.844 -1.520 2.184 892 HD21 ASN 117 HD21 ASN 117 14.858 1.399 2.914 893 HD22 ASN 117 HD22 ASN 117 13.863 1.175 1.481 894 H VAL 118 H VAL 118 16.037 -3.908 4.169 895 HA VAL 118 HA VAL 118 17.918 -4.209 6.313 896 HB VAL 118 HB VAL 118 16.937 -6.031 4.131 897 HG11 VAL 118 HG11 VAL 118 17.948 -7.970 5.328 898 HG12 VAL 118 HG12 VAL 118 19.178 -6.942 4.603 899 HG13 VAL 118 HG13 VAL 118 18.861 -6.850 6.357 900 HG21 VAL 118 HG21 VAL 118 16.599 -6.048 7.152 901 HG22 VAL 118 HG22 VAL 118 15.408 -5.468 5.965 902 HG23 VAL 118 HG23 VAL 118 15.840 -7.178 6.013 903 H THR 119 H THR 119 20.061 -4.773 6.406 904 HA THR 119 HA THR 119 21.710 -4.686 3.937 905 HB THR 119 HB THR 119 21.997 -2.480 4.629 906 HG1 THR 119 HG1 THR 119 23.897 -3.455 4.013 907 HG21 THR 119 HG21 THR 119 22.753 -3.378 7.423 908 HG22 THR 119 HG22 THR 119 21.263 -2.526 6.948 909 HG23 THR 119 HG23 THR 119 22.827 -1.725 6.775 910 H SER 120 H SER 120 22.403 -6.582 3.771 911 HA SER 120 HA SER 120 22.811 -8.522 5.872 912 HB2 SER 120 HB2 SER 120 22.176 -8.955 3.443 913 HB3 SER 120 HB3 SER 120 23.875 -8.669 3.025 914 HG SER 120 HG SER 120 24.428 -10.394 4.477 Start of MODEL 11 1 H1 ARG 1 H1 ARG 1 16.584 -5.500 17.881 2 H2 ARG 1 H2 ARG 1 17.778 -6.317 18.675 3 H3 ARG 1 H3 ARG 1 17.933 -4.713 18.306 4 HA ARG 1 HA ARG 1 17.928 -5.158 15.961 5 HB2 ARG 1 HB2 ARG 1 20.176 -6.295 15.818 6 HB3 ARG 1 HB3 ARG 1 20.082 -4.846 16.799 7 HG2 ARG 1 HG2 ARG 1 20.182 -6.090 18.865 8 HG3 ARG 1 HG3 ARG 1 20.008 -7.639 18.026 9 HD2 ARG 1 HD2 ARG 1 22.158 -7.298 16.896 10 HD3 ARG 1 HD3 ARG 1 22.355 -5.732 17.709 11 HE ARG 1 HE ARG 1 21.986 -7.410 19.826 12 HH11 ARG 1 HH11 ARG 1 24.249 -7.641 17.178 13 HH12 ARG 1 HH12 ARG 1 25.403 -8.540 18.128 14 HH21 ARG 1 HH21 ARG 1 23.473 -8.541 20.978 15 HH22 ARG 1 HH22 ARG 1 24.966 -9.024 20.230 16 HA PRO 2 HA PRO 2 16.171 -9.339 15.251 17 HB2 PRO 2 HB2 PRO 2 14.415 -8.694 13.257 18 HB3 PRO 2 HB3 PRO 2 14.028 -8.552 14.989 19 HG2 PRO 2 HG2 PRO 2 14.909 -6.359 13.092 20 HG3 PRO 2 HG3 PRO 2 13.588 -6.331 14.297 21 HD2 PRO 2 HD2 PRO 2 16.038 -5.238 14.818 22 HD3 PRO 2 HD3 PRO 2 15.060 -6.051 16.072 23 H CYS 3 H CYS 3 16.857 -6.835 12.804 24 HA CYS 3 HA CYS 3 18.782 -8.509 11.350 25 HB2 CYS 3 HB2 CYS 3 16.781 -7.147 9.593 26 HB3 CYS 3 HB3 CYS 3 17.649 -8.657 9.380 27 H LYS 4 H LYS 4 19.544 -6.964 9.349 28 HA LYS 4 HA LYS 4 20.256 -4.324 10.589 29 HB2 LYS 4 HB2 LYS 4 21.770 -5.934 8.516 30 HB3 LYS 4 HB3 LYS 4 22.327 -4.462 9.304 31 HG2 LYS 4 HG2 LYS 4 21.867 -7.182 10.619 32 HG3 LYS 4 HG3 LYS 4 23.415 -6.495 10.199 33 HD2 LYS 4 HD2 LYS 4 21.489 -5.309 12.251 34 HD3 LYS 4 HD3 LYS 4 22.832 -6.364 12.643 35 HE2 LYS 4 HE2 LYS 4 23.145 -3.666 11.248 36 HE3 LYS 4 HE3 LYS 4 23.247 -3.900 12.993 37 HZ1 LYS 4 HZ1 LYS 4 25.123 -5.411 12.634 38 HZ2 LYS 4 HZ2 LYS 4 25.449 -3.943 12.010 39 HZ3 LYS 4 HZ3 LYS 4 25.062 -5.176 11.017 40 H TYR 5 H TYR 5 19.786 -2.505 9.589 41 HA TYR 5 HA TYR 5 18.802 -2.513 6.778 42 HB2 TYR 5 HB2 TYR 5 17.443 -1.078 9.076 43 HB3 TYR 5 HB3 TYR 5 16.914 -1.113 7.408 44 HD1 TYR 5 HD2 TYR 5 17.186 -3.069 10.545 45 HD2 TYR 5 HD1 TYR 5 15.640 -3.059 6.499 46 HE1 TYR 5 HE2 TYR 5 15.635 -4.933 11.113 47 HE2 TYR 5 HE1 TYR 5 14.073 -4.859 7.106 48 HH TYR 5 HH TYR 5 13.450 -6.350 8.659 49 H LYS 6 H LYS 6 18.696 -0.376 5.822 50 HA LYS 6 HA LYS 6 20.787 1.520 6.831 51 HB2 LYS 6 HB2 LYS 6 21.122 2.217 4.536 52 HB3 LYS 6 HB3 LYS 6 21.394 0.494 4.735 53 HG2 LYS 6 HG2 LYS 6 18.621 0.934 3.961 54 HG3 LYS 6 HG3 LYS 6 19.656 1.844 2.878 55 HD2 LYS 6 HD2 LYS 6 19.999 -1.135 3.466 56 HD3 LYS 6 HD3 LYS 6 19.073 -0.483 2.117 57 HE2 LYS 6 HE2 LYS 6 21.141 0.722 1.326 58 HE3 LYS 6 HE3 LYS 6 22.059 -0.131 2.575 59 HZ1 LYS 6 HZ1 LYS 6 20.547 -1.401 0.347 60 HZ2 LYS 6 HZ2 LYS 6 21.301 -2.242 1.521 61 HZ3 LYS 6 HZ3 LYS 6 22.169 -1.329 0.477 62 H LEU 7 H LEU 7 20.548 3.697 6.610 63 HA LEU 7 HA LEU 7 17.969 4.652 7.554 64 HB2 LEU 7 HB2 LEU 7 20.448 5.174 8.325 65 HB3 LEU 7 HB3 LEU 7 20.425 6.366 7.050 66 HG LEU 7 HG LEU 7 19.962 7.438 9.110 67 HD11 LEU 7 HD11 LEU 7 17.216 7.184 7.842 68 HD12 LEU 7 HD12 LEU 7 18.533 8.202 7.199 69 HD13 LEU 7 HD13 LEU 7 17.861 8.528 8.803 70 HD21 LEU 7 HD21 LEU 7 17.663 5.505 9.612 71 HD22 LEU 7 HD22 LEU 7 18.180 6.852 10.649 72 HD23 LEU 7 HD23 LEU 7 19.251 5.466 10.407 73 H LYS 8 H LYS 8 16.384 5.206 6.227 74 HA LYS 8 HA LYS 8 16.900 7.007 3.912 75 HB2 LYS 8 HB2 LYS 8 16.813 4.678 3.083 76 HB3 LYS 8 HB3 LYS 8 15.245 4.457 3.841 77 HG2 LYS 8 HG2 LYS 8 14.877 4.835 1.513 78 HG3 LYS 8 HG3 LYS 8 14.323 6.292 2.344 79 HD2 LYS 8 HD2 LYS 8 16.433 7.450 1.736 80 HD3 LYS 8 HD3 LYS 8 17.028 5.964 0.962 81 HE2 LYS 8 HE2 LYS 8 15.087 6.020 -0.600 82 HE3 LYS 8 HE3 LYS 8 14.513 7.507 0.168 83 HZ1 LYS 8 HZ1 LYS 8 16.578 8.592 -0.549 84 HZ2 LYS 8 HZ2 LYS 8 15.791 7.983 -1.841 85 HZ3 LYS 8 HZ3 LYS 8 17.107 7.216 -1.258 86 H LYS 9 H LYS 9 15.918 8.792 4.464 87 HA LYS 9 HA LYS 9 13.039 8.757 5.371 88 HB2 LYS 9 HB2 LYS 9 15.143 10.882 5.947 89 HB3 LYS 9 HB3 LYS 9 13.468 10.912 6.491 90 HG2 LYS 9 HG2 LYS 9 15.541 8.836 7.329 91 HG3 LYS 9 HG3 LYS 9 15.108 10.274 8.246 92 HD2 LYS 9 HD2 LYS 9 12.831 9.464 8.590 93 HD3 LYS 9 HD3 LYS 9 13.103 8.100 7.502 94 HE2 LYS 9 HE2 LYS 9 13.208 7.319 9.780 95 HE3 LYS 9 HE3 LYS 9 14.780 7.144 9.001 96 HZ1 LYS 9 HZ1 LYS 9 14.964 8.061 11.258 97 HZ2 LYS 9 HZ2 LYS 9 14.058 9.360 10.854 98 HZ3 LYS 9 HZ3 LYS 9 15.528 9.141 10.176 99 H SER 10 H SER 10 11.651 10.331 4.575 100 HA SER 10 HA SER 10 12.430 12.233 2.484 101 HB2 SER 10 HB2 SER 10 10.782 9.749 1.862 102 HB3 SER 10 HB3 SER 10 10.604 11.230 0.914 103 HG SER 10 HG SER 10 13.184 10.190 1.382 104 H THR 11 H THR 11 10.409 13.424 1.660 105 HA THR 11 HA THR 11 8.121 13.343 3.535 106 HB THR 11 HB THR 11 9.356 16.023 2.839 107 HG1 THR 11 HG1 THR 11 10.097 16.055 4.961 108 HG21 THR 11 HG21 THR 11 7.847 16.793 4.615 109 HG22 THR 11 HG22 THR 11 7.378 15.114 4.982 110 HG23 THR 11 HG23 THR 11 6.907 15.851 3.440 111 H ASN 12 H ASN 12 6.492 12.869 2.192 112 HA ASN 12 HA ASN 12 5.758 14.441 -0.121 113 HB2 ASN 12 HB2 ASN 12 6.237 12.641 -1.860 114 HB3 ASN 12 HB3 ASN 12 7.623 13.483 -1.219 115 HD21 ASN 12 HD21 ASN 12 5.862 10.669 0.316 116 HD22 ASN 12 HD22 ASN 12 7.280 9.657 0.139 117 H LYS 13 H LYS 13 4.083 13.360 -1.465 118 HA LYS 13 HA LYS 13 1.888 12.086 -0.111 119 HB2 LYS 13 HB2 LYS 13 1.109 11.768 -2.561 120 HB3 LYS 13 HB3 LYS 13 1.273 13.370 -1.907 121 HG2 LYS 13 HG2 LYS 13 3.689 12.388 -3.330 122 HG3 LYS 13 HG3 LYS 13 2.234 12.509 -4.319 123 HD2 LYS 13 HD2 LYS 13 1.912 14.822 -3.817 124 HD3 LYS 13 HD3 LYS 13 3.110 14.804 -2.539 125 HE2 LYS 13 HE2 LYS 13 4.033 15.925 -4.481 126 HE3 LYS 13 HE3 LYS 13 4.939 14.450 -4.148 127 HZ1 LYS 13 HZ1 LYS 13 4.434 14.754 -6.524 128 HZ2 LYS 13 HZ2 LYS 13 2.830 14.682 -6.236 129 HZ3 LYS 13 HZ3 LYS 13 3.783 13.369 -5.979 130 H PHE 14 H PHE 14 0.820 10.184 -1.204 131 HA PHE 14 HA PHE 14 2.582 7.888 -1.795 132 HB2 PHE 14 HB2 PHE 14 1.367 6.514 -0.024 133 HB3 PHE 14 HB3 PHE 14 2.568 7.655 0.546 134 HD1 PHE 14 HD2 PHE 14 -1.139 7.172 0.160 135 HD2 PHE 14 HD1 PHE 14 2.023 9.363 2.114 136 HE1 PHE 14 HE2 PHE 14 -2.806 8.290 1.619 137 HE2 PHE 14 HE1 PHE 14 0.341 10.454 3.585 138 HZ PHE 14 HZ PHE 14 -2.066 10.008 3.272 139 H CYS 15 H CYS 15 1.584 6.192 -2.858 140 HA CYS 15 HA CYS 15 -1.142 6.768 -3.939 141 HB2 CYS 15 HB2 CYS 15 0.731 6.778 -5.581 142 HB3 CYS 15 HB3 CYS 15 1.056 5.099 -5.208 143 H VAL 16 H VAL 16 -2.661 5.322 -3.835 144 HA VAL 16 HA VAL 16 -2.287 2.609 -2.626 145 HB VAL 16 HB VAL 16 -4.108 3.054 -0.991 146 HG11 VAL 16 HG11 VAL 16 -1.808 3.051 -0.201 147 HG12 VAL 16 HG12 VAL 16 -1.629 4.775 -0.593 148 HG13 VAL 16 HG13 VAL 16 -2.765 4.267 0.665 149 HG21 VAL 16 HG21 VAL 16 -4.996 5.122 -2.120 150 HG22 VAL 16 HG22 VAL 16 -4.774 5.251 -0.363 151 HG23 VAL 16 HG23 VAL 16 -3.611 6.013 -1.469 152 H THR 17 H THR 17 -4.626 1.539 -2.392 153 HA THR 17 HA THR 17 -6.264 2.257 -4.818 154 HB THR 17 HB THR 17 -5.972 -0.560 -3.833 155 HG1 THR 17 HG1 THR 17 -4.328 0.681 -5.790 156 HG21 THR 17 HG21 THR 17 -6.490 -1.219 -6.057 157 HG22 THR 17 HG22 THR 17 -6.432 0.451 -6.631 158 HG23 THR 17 HG23 THR 17 -7.716 -0.072 -5.496 159 H CYS 18 H CYS 18 -8.290 2.863 -4.308 160 HA CYS 18 HA CYS 18 -9.473 2.214 -1.698 161 HB2 CYS 18 HB2 CYS 18 -9.575 4.493 -2.836 162 HB3 CYS 18 HB3 CYS 18 -10.703 3.764 -3.969 163 H GLU 19 H GLU 19 -10.912 0.689 -1.385 164 HA GLU 19 HA GLU 19 -12.555 -0.363 -3.608 165 HB2 GLU 19 HB2 GLU 19 -10.418 -1.742 -3.281 166 HB3 GLU 19 HB3 GLU 19 -11.105 -2.308 -1.767 167 HG2 GLU 19 HG2 GLU 19 -12.826 -2.492 -4.251 168 HG3 GLU 19 HG3 GLU 19 -11.399 -3.520 -4.181 169 H ASN 20 H ASN 20 -14.499 0.052 -2.992 170 HA ASN 20 HA ASN 20 -16.331 0.592 -1.801 171 HB2 ASN 20 HB2 ASN 20 -15.402 -1.721 -0.079 172 HB3 ASN 20 HB3 ASN 20 -16.892 -0.831 0.223 173 HD21 ASN 20 HD21 ASN 20 -15.213 -2.779 -2.276 174 HD22 ASN 20 HD22 ASN 20 -16.703 -3.210 -3.114 175 H GLN 21 H GLN 21 -14.758 2.457 -1.670 176 HA GLN 21 HA GLN 21 -14.455 4.501 -0.740 177 HB2 GLN 21 HB2 GLN 21 -16.435 3.662 1.397 178 HB3 GLN 21 HB3 GLN 21 -16.006 5.293 0.886 179 HG2 GLN 21 HG2 GLN 21 -17.886 5.130 -0.368 180 HG3 GLN 21 HG3 GLN 21 -16.822 4.311 -1.506 181 HE21 GLN 21 HE21 GLN 21 -17.877 2.491 -2.323 182 HE22 GLN 21 HE22 GLN 21 -18.989 1.541 -1.338 183 H ALA 22 H ALA 22 -12.518 2.502 0.094 184 HA ALA 22 HA ALA 22 -11.278 3.857 2.284 185 HB1 ALA 22 HB1 ALA 22 -12.289 1.006 2.703 186 HB2 ALA 22 HB2 ALA 22 -11.257 1.940 3.829 187 HB3 ALA 22 HB3 ALA 22 -12.917 2.451 3.522 188 HA PRO 23 HA PRO 23 -8.053 1.977 -0.232 189 HB2 PRO 23 HB2 PRO 23 -5.862 3.088 0.872 190 HB3 PRO 23 HB3 PRO 23 -7.102 4.021 -0.050 191 HG2 PRO 23 HG2 PRO 23 -6.928 3.720 2.966 192 HG3 PRO 23 HG3 PRO 23 -7.018 5.228 2.010 193 HD2 PRO 23 HD2 PRO 23 -9.231 4.013 3.077 194 HD3 PRO 23 HD3 PRO 23 -9.284 4.867 1.502 195 H VAL 24 H VAL 24 -8.020 -0.189 0.035 196 HA VAL 24 HA VAL 24 -7.040 -1.381 2.572 197 HB VAL 24 HB VAL 24 -8.027 -3.441 1.872 198 HG11 VAL 24 HG11 VAL 24 -10.298 -2.928 2.021 199 HG12 VAL 24 HG12 VAL 24 -9.526 -1.516 2.755 200 HG13 VAL 24 HG13 VAL 24 -10.142 -1.405 1.114 201 HG21 VAL 24 HG21 VAL 24 -7.616 -3.399 -0.557 202 HG22 VAL 24 HG22 VAL 24 -9.316 -3.698 -0.195 203 HG23 VAL 24 HG23 VAL 24 -8.802 -2.091 -0.757 204 H HIS 25 H HIS 25 -5.305 -0.120 0.244 205 HA HIS 25 HA HIS 25 -3.394 -2.383 -0.058 206 HB2 HIS 25 HB2 HIS 25 -5.305 -2.557 -1.806 207 HB3 HIS 25 HB3 HIS 25 -4.739 -1.013 -2.382 208 HD1 HIS 25 HD1 HIS 25 -3.309 -1.261 -4.481 209 HD2 HIS 25 HD2 HIS 25 -3.125 -4.545 -1.823 210 HE1 HIS 25 HE1 HIS 25 -1.776 -3.028 -5.592 211 HE2 HIS 25 HE2 HIS 25 -1.726 -5.042 -3.997 212 H PHE 26 H PHE 26 -1.336 -1.733 -0.756 213 HA PHE 26 HA PHE 26 -0.844 1.201 -1.069 214 HB2 PHE 26 HB2 PHE 26 0.196 0.161 0.944 215 HB3 PHE 26 HB3 PHE 26 0.989 -1.022 -0.075 216 HD1 PHE 26 HD2 PHE 26 0.632 2.766 -0.139 217 HD2 PHE 26 HD1 PHE 26 3.325 -0.621 -0.112 218 HE1 PHE 26 HE2 PHE 26 2.555 4.281 -0.345 219 HE2 PHE 26 HE1 PHE 26 5.236 0.907 -0.367 220 HZ PHE 26 HZ PHE 26 4.868 3.366 -0.483 221 H VAL 27 H VAL 27 -0.103 1.919 -2.959 222 HA VAL 27 HA VAL 27 0.778 -0.020 -5.070 223 HB VAL 27 HB VAL 27 0.157 2.937 -5.325 224 HG11 VAL 27 HG11 VAL 27 1.730 2.137 -7.056 225 HG12 VAL 27 HG12 VAL 27 0.626 0.809 -7.456 226 HG13 VAL 27 HG13 VAL 27 0.145 2.493 -7.753 227 HG21 VAL 27 HG21 VAL 27 -1.507 0.541 -6.178 228 HG22 VAL 27 HG22 VAL 27 -1.896 1.649 -4.840 229 HG23 VAL 27 HG23 VAL 27 -1.870 2.253 -6.499 230 H GLY 28 H GLY 28 1.846 3.163 -3.701 231 HA2 GLY 28 HA2 GLY 28 4.616 2.538 -3.545 232 HA3 GLY 28 HA3 GLY 28 4.285 3.288 -5.118 233 H VAL 29 H VAL 29 5.882 4.820 -3.976 234 HA VAL 29 HA VAL 29 4.447 6.825 -2.273 235 HB VAL 29 HB VAL 29 6.008 5.401 -1.014 236 HG11 VAL 29 HG11 VAL 29 7.788 5.074 -2.753 237 HG12 VAL 29 HG12 VAL 29 8.253 6.777 -2.545 238 HG13 VAL 29 HG13 VAL 29 8.406 5.640 -1.195 239 HG21 VAL 29 HG21 VAL 29 5.443 7.646 -0.251 240 HG22 VAL 29 HG22 VAL 29 7.110 7.191 0.165 241 HG23 VAL 29 HG23 VAL 29 6.815 8.297 -1.194 242 H GLY 30 H GLY 30 4.674 9.008 -2.704 243 HA2 GLY 30 HA2 GLY 30 5.139 10.896 -3.888 244 HA3 GLY 30 HA3 GLY 30 6.632 10.149 -4.419 245 H SER 31 H SER 31 4.302 8.107 -5.498 246 HA SER 31 HA SER 31 3.346 9.150 -7.986 247 HB2 SER 31 HB2 SER 31 5.996 7.652 -7.952 248 HB3 SER 31 HB3 SER 31 4.924 7.622 -9.362 249 HG SER 31 HG SER 31 5.706 10.067 -8.171 250 H CYS 32 H CYS 32 2.487 7.301 -9.324 251 HA CYS 32 HA CYS 32 1.735 4.923 -7.681 252 HB2 CYS 32 HB2 CYS 32 0.466 6.154 -10.141 253 HB3 CYS 32 HB3 CYS 32 -0.057 4.656 -9.383 254 H GLY 33 H GLY 33 2.972 3.238 -8.020 255 HA2 GLY 33 HA2 GLY 33 4.435 2.824 -10.612 256 HA3 GLY 33 HA3 GLY 33 4.965 2.282 -9.026 257 H SER 34 H SER 34 2.553 1.758 -11.559 258 HA SER 34 HA SER 34 1.742 -0.878 -10.458 259 HB2 SER 34 HB2 SER 34 0.109 0.841 -11.353 260 HB3 SER 34 HB3 SER 34 0.727 0.474 -12.976 261 HG SER 34 HG SER 34 -1.136 -0.782 -12.375 262 H GLY 35 H GLY 35 1.334 -2.554 -12.201 263 HA2 GLY 35 HA2 GLY 35 2.057 -3.554 -14.332 264 HA3 GLY 35 HA3 GLY 35 3.703 -3.024 -13.996 265 H GLY 36 H GLY 36 2.641 -5.695 -14.575 266 HA2 GLY 36 HA2 GLY 36 4.344 -7.394 -13.401 267 HA3 GLY 36 HA3 GLY 36 3.096 -7.321 -12.149 268 H SER 37 H SER 37 3.750 -9.682 -13.340 269 HA SER 37 HA SER 37 1.323 -10.485 -14.899 270 HB2 SER 37 HB2 SER 37 4.219 -11.070 -15.628 271 HB3 SER 37 HB3 SER 37 2.801 -11.803 -16.406 272 HG SER 37 HG SER 37 2.145 -9.658 -17.006 273 H GLY 38 H GLY 38 0.475 -11.585 -13.128 274 HA2 GLY 38 HA2 GLY 38 0.052 -13.488 -11.866 275 HA3 GLY 38 HA3 GLY 38 1.435 -14.277 -12.618 276 H ILE 39 H ILE 39 2.402 -11.381 -11.242 277 HA ILE 39 HA ILE 39 4.024 -12.634 -9.181 278 HB ILE 39 HB ILE 39 3.558 -9.732 -9.946 279 HG12 ILE 39 HG12 ILE 39 5.938 -11.558 -10.563 280 HG13 ILE 39 HG13 ILE 39 4.628 -11.261 -11.694 281 HG21 ILE 39 HG21 ILE 39 4.387 -9.778 -7.646 282 HG22 ILE 39 HG22 ILE 39 5.708 -10.884 -8.124 283 HG23 ILE 39 HG23 ILE 39 5.652 -9.213 -8.709 284 HD11 ILE 39 HD11 ILE 39 6.373 -9.852 -12.376 285 HD12 ILE 39 HD12 ILE 39 5.168 -8.798 -11.612 286 HD13 ILE 39 HD13 ILE 39 6.656 -9.235 -10.739 287 H PHE 40 H PHE 40 3.852 -12.464 -7.021 288 HA PHE 40 HA PHE 40 1.444 -11.230 -5.758 289 HB2 PHE 40 HB2 PHE 40 0.778 -13.183 -4.685 290 HB3 PHE 40 HB3 PHE 40 1.032 -13.630 -6.356 291 HD1 PHE 40 HD2 PHE 40 3.214 -14.892 -6.977 292 HD2 PHE 40 HD1 PHE 40 1.875 -14.328 -2.913 293 HE1 PHE 40 HE2 PHE 40 4.696 -16.739 -6.225 294 HE2 PHE 40 HE1 PHE 40 3.342 -16.183 -2.171 295 HZ PHE 40 HZ PHE 40 4.762 -17.387 -3.823 296 H LEU 41 H LEU 41 4.506 -10.821 -5.742 297 HA LEU 41 HA LEU 41 5.538 -11.250 -3.113 298 HB2 LEU 41 HB2 LEU 41 6.242 -9.540 -5.498 299 HB3 LEU 41 HB3 LEU 41 6.956 -9.116 -3.955 300 HG LEU 41 HG LEU 41 7.957 -11.313 -3.690 301 HD11 LEU 41 HD11 LEU 41 6.378 -12.759 -4.913 302 HD12 LEU 41 HD12 LEU 41 8.015 -12.937 -5.549 303 HD13 LEU 41 HD13 LEU 41 6.828 -11.971 -6.446 304 HD21 LEU 41 HD21 LEU 41 8.505 -10.083 -6.427 305 HD22 LEU 41 HD22 LEU 41 9.616 -11.116 -5.498 306 HD23 LEU 41 HD23 LEU 41 9.172 -9.517 -4.879 307 H GLU 42 H GLU 42 3.289 -8.871 -4.187 308 HA GLU 42 HA GLU 42 3.578 -6.912 -2.077 309 HB2 GLU 42 HB2 GLU 42 1.399 -6.138 -2.824 310 HB3 GLU 42 HB3 GLU 42 2.421 -6.485 -4.219 311 HG2 GLU 42 HG2 GLU 42 1.259 -8.712 -4.473 312 HG3 GLU 42 HG3 GLU 42 0.231 -8.280 -3.100 313 H THR 43 H THR 43 1.876 -6.504 -0.408 314 HA THR 43 HA THR 43 1.410 -8.804 1.287 315 HB THR 43 HB THR 43 0.293 -5.996 1.459 316 HG1 THR 43 HG1 THR 43 2.712 -7.134 2.393 317 HG21 THR 43 HG21 THR 43 -0.816 -7.446 3.093 318 HG22 THR 43 HG22 THR 43 0.337 -6.422 3.941 319 HG23 THR 43 HG23 THR 43 0.745 -8.120 3.613 320 H SER 44 H SER 44 -0.472 -7.392 -1.226 321 HA SER 44 HA SER 44 -2.613 -7.535 -1.959 322 HB2 SER 44 HB2 SER 44 -3.342 -9.780 -2.463 323 HB3 SER 44 HB3 SER 44 -1.625 -9.538 -2.776 324 HG SER 44 HG SER 44 -2.077 -11.545 -1.743 325 H LEU 45 H LEU 45 -2.721 -6.624 0.683 326 HA LEU 45 HA LEU 45 -4.619 -7.640 2.428 327 HB2 LEU 45 HB2 LEU 45 -4.037 -4.813 1.545 328 HB3 LEU 45 HB3 LEU 45 -5.209 -5.115 2.806 329 HG LEU 45 HG LEU 45 -2.824 -6.522 3.566 330 HD11 LEU 45 HD11 LEU 45 -1.633 -5.054 1.916 331 HD12 LEU 45 HD12 LEU 45 -1.174 -4.668 3.589 332 HD13 LEU 45 HD13 LEU 45 -2.309 -3.628 2.714 333 HD21 LEU 45 HD21 LEU 45 -3.977 -3.879 4.519 334 HD22 LEU 45 HD22 LEU 45 -2.765 -4.845 5.397 335 HD23 LEU 45 HD23 LEU 45 -4.397 -5.473 5.146 336 H SER 46 H SER 46 -5.310 -6.206 -0.658 337 HA SER 46 HA SER 46 -8.090 -5.650 -0.433 338 HB2 SER 46 HB2 SER 46 -6.508 -5.021 -2.314 339 HB3 SER 46 HB3 SER 46 -6.709 -6.670 -2.938 340 HG SER 46 HG SER 46 -8.170 -5.157 -3.892 341 H ALA 47 H ALA 47 -6.555 -8.774 -0.609 342 HA ALA 47 HA ALA 47 -9.242 -10.073 -0.522 343 HB1 ALA 47 HB1 ALA 47 -8.265 -10.534 -2.704 344 HB2 ALA 47 HB2 ALA 47 -6.774 -11.135 -1.936 345 HB3 ALA 47 HB3 ALA 47 -8.313 -11.997 -1.698 346 H GLY 48 H GLY 48 -9.523 -10.593 1.485 347 HA2 GLY 48 HA2 GLY 48 -9.253 -12.041 3.344 348 HA3 GLY 48 HA3 GLY 48 -7.551 -12.251 2.967 349 H SER 49 H SER 49 -8.121 -8.916 2.891 350 HA SER 49 HA SER 49 -7.952 -8.486 5.808 351 HB2 SER 49 HB2 SER 49 -5.652 -8.424 4.221 352 HB3 SER 49 HB3 SER 49 -6.137 -6.715 4.344 353 HG SER 49 HG SER 49 -4.758 -7.737 6.091 354 H ASP 50 H ASP 50 -7.464 -5.659 5.608 355 HA ASP 50 HA ASP 50 -9.626 -4.504 4.083 356 HB2 ASP 50 HB2 ASP 50 -10.475 -5.716 6.354 357 HB3 ASP 50 HB3 ASP 50 -9.911 -4.219 7.078 358 H TRP 51 H TRP 51 -9.869 -2.272 4.780 359 HA TRP 51 HA TRP 51 -7.528 -0.593 4.896 360 HB2 TRP 51 HB2 TRP 51 -9.262 0.569 4.058 361 HB3 TRP 51 HB3 TRP 51 -10.470 -0.264 5.009 362 HD1 TRP 51 HD1 TRP 51 -11.457 0.953 7.017 363 HE1 TRP 51 HE1 TRP 51 -11.027 3.200 8.201 364 HE3 TRP 51 HE3 TRP 51 -7.013 2.202 4.823 365 HZ2 TRP 51 HZ2 TRP 51 -9.035 5.269 8.173 366 HZ3 TRP 51 HZ3 TRP 51 -5.849 4.306 5.435 367 HH2 TRP 51 HH2 TRP 51 -6.860 5.864 7.074 368 H LEU 52 H LEU 52 -9.644 -1.871 7.425 369 HA LEU 52 HA LEU 52 -8.712 -0.366 9.624 370 HB2 LEU 52 HB2 LEU 52 -10.649 -2.288 9.183 371 HB3 LEU 52 HB3 LEU 52 -9.503 -3.197 10.138 372 HG LEU 52 HG LEU 52 -11.239 -2.263 11.514 373 HD11 LEU 52 HD11 LEU 52 -8.713 -0.660 12.066 374 HD12 LEU 52 HD12 LEU 52 -8.965 -2.364 12.511 375 HD13 LEU 52 HD13 LEU 52 -9.983 -1.100 13.223 376 HD21 LEU 52 HD21 LEU 52 -11.685 0.086 11.802 377 HD22 LEU 52 HD22 LEU 52 -11.855 -0.336 10.092 378 HD23 LEU 52 HD23 LEU 52 -10.412 0.534 10.654 379 H THR 53 H THR 53 -7.470 -3.456 8.322 380 HA THR 53 HA THR 53 -5.208 -3.544 10.198 381 HB THR 53 HB THR 53 -4.556 -5.524 8.722 382 HG1 THR 53 HG1 THR 53 -6.101 -6.282 7.354 383 HG21 THR 53 HG21 THR 53 -6.268 -6.995 9.697 384 HG22 THR 53 HG22 THR 53 -7.299 -5.595 10.061 385 HG23 THR 53 HG23 THR 53 -5.736 -5.792 10.887 386 H PHE 54 H PHE 54 -5.728 -2.511 6.831 387 HA PHE 54 HA PHE 54 -3.100 -2.286 5.887 388 HB2 PHE 54 HB2 PHE 54 -4.990 -1.812 4.462 389 HB3 PHE 54 HB3 PHE 54 -5.532 -0.529 5.523 390 HD1 PHE 54 HD1 PHE 54 -3.043 -1.396 2.947 391 HD2 PHE 54 HD2 PHE 54 -4.686 1.706 5.445 392 HE1 PHE 54 HE1 PHE 54 -1.856 0.336 1.616 393 HE2 PHE 54 HE2 PHE 54 -3.503 3.429 4.092 394 HZ PHE 54 HZ PHE 54 -2.074 2.736 2.194 395 H GLN 55 H GLN 55 -4.820 0.047 7.927 396 HA GLN 55 HA GLN 55 -2.764 2.004 8.212 397 HB2 GLN 55 HB2 GLN 55 -4.931 1.071 10.132 398 HB3 GLN 55 HB3 GLN 55 -3.921 2.491 10.424 399 HG2 GLN 55 HG2 GLN 55 -4.873 3.710 8.646 400 HG3 GLN 55 HG3 GLN 55 -5.493 2.263 7.841 401 HE21 GLN 55 HE21 GLN 55 -7.412 1.294 8.521 402 HE22 GLN 55 HE22 GLN 55 -8.478 2.126 9.644 403 H LYS 56 H LYS 56 -3.593 -0.602 10.494 404 HA LYS 56 HA LYS 56 -1.261 -0.321 12.142 405 HB2 LYS 56 HB2 LYS 56 -2.930 -2.840 11.754 406 HB3 LYS 56 HB3 LYS 56 -1.870 -2.485 13.116 407 HG2 LYS 56 HG2 LYS 56 -4.465 -1.055 12.407 408 HG3 LYS 56 HG3 LYS 56 -4.169 -2.137 13.766 409 HD2 LYS 56 HD2 LYS 56 -2.499 -0.490 14.674 410 HD3 LYS 56 HD3 LYS 56 -2.928 0.620 13.351 411 HE2 LYS 56 HE2 LYS 56 -5.303 0.586 14.111 412 HE3 LYS 56 HE3 LYS 56 -4.849 -0.471 15.453 413 HZ1 LYS 56 HZ1 LYS 56 -3.391 1.310 16.272 414 HZ2 LYS 56 HZ2 LYS 56 -4.925 1.849 16.154 415 HZ3 LYS 56 HZ3 LYS 56 -3.823 2.290 15.035 416 H LYS 57 H LYS 57 -1.492 -1.923 9.120 417 HA LYS 57 HA LYS 57 0.902 -3.529 9.320 418 HB2 LYS 57 HB2 LYS 57 -1.035 -3.813 7.725 419 HB3 LYS 57 HB3 LYS 57 -0.395 -2.506 6.755 420 HG2 LYS 57 HG2 LYS 57 1.285 -4.944 7.486 421 HG3 LYS 57 HG3 LYS 57 0.118 -5.003 6.167 422 HD2 LYS 57 HD2 LYS 57 1.270 -3.246 4.942 423 HD3 LYS 57 HD3 LYS 57 2.416 -3.021 6.277 424 HE2 LYS 57 HE2 LYS 57 3.206 -5.345 6.028 425 HE3 LYS 57 HE3 LYS 57 2.104 -5.575 4.665 426 HZ1 LYS 57 HZ1 LYS 57 4.336 -5.008 3.916 427 HZ2 LYS 57 HZ2 LYS 57 4.321 -3.588 4.733 428 HZ3 LYS 57 HZ3 LYS 57 3.299 -3.842 3.468 429 H HIS 58 H HIS 58 0.474 -0.209 7.875 430 HA HIS 58 HA HIS 58 3.370 0.256 8.388 431 HB2 HIS 58 HB2 HIS 58 3.983 0.619 6.133 432 HB3 HIS 58 HB3 HIS 58 3.205 -0.940 6.174 433 HD1 HIS 58 HD1 HIS 58 3.071 2.303 4.484 434 HD2 HIS 58 HD2 HIS 58 0.329 -0.750 5.489 435 HE1 HIS 58 HE1 HIS 58 0.891 2.730 3.102 436 HE2 HIS 58 HE2 HIS 58 -0.755 0.870 3.768 437 H ILE 59 H ILE 59 0.807 1.574 9.237 438 HA ILE 59 HA ILE 59 1.632 4.377 8.589 439 HB ILE 59 HB ILE 59 -1.275 3.541 8.843 440 HG12 ILE 59 HG12 ILE 59 0.503 3.901 6.418 441 HG13 ILE 59 HG13 ILE 59 -0.631 2.608 6.774 442 HG21 ILE 59 HG21 ILE 59 -0.770 5.879 9.567 443 HG22 ILE 59 HG22 ILE 59 -0.029 6.178 7.977 444 HG23 ILE 59 HG23 ILE 59 -1.765 5.834 8.141 445 HD11 ILE 59 HD11 ILE 59 -2.521 4.186 6.349 446 HD12 ILE 59 HD12 ILE 59 -1.331 5.449 5.917 447 HD13 ILE 59 HD13 ILE 59 -1.434 3.980 4.949 448 H THR 60 H THR 60 1.537 5.812 10.245 449 HA THR 60 HA THR 60 0.533 4.896 12.896 450 HB THR 60 HB THR 60 2.835 4.093 12.841 451 HG1 THR 60 HG1 THR 60 3.441 5.192 14.776 452 HG21 THR 60 HG21 THR 60 3.886 5.810 11.365 453 HG22 THR 60 HG22 THR 60 4.739 5.600 12.898 454 HG23 THR 60 HG23 THR 60 3.697 7.017 12.657 455 H ASN 61 H ASN 61 0.376 6.459 14.501 456 HA ASN 61 HA ASN 61 0.061 9.297 13.635 457 HB2 ASN 61 HB2 ASN 61 -1.069 7.604 15.900 458 HB3 ASN 61 HB3 ASN 61 -1.009 9.350 16.024 459 HD21 ASN 61 HD21 ASN 61 -2.062 6.925 13.537 460 HD22 ASN 61 HD22 ASN 61 -3.537 7.816 13.191 461 H THR 62 H THR 62 2.467 7.365 14.829 462 HA THR 62 HA THR 62 4.114 9.599 15.613 463 HB THR 62 HB THR 62 3.044 9.410 17.735 464 HG1 THR 62 HG1 THR 62 4.870 9.011 18.980 465 HG21 THR 62 HG21 THR 62 3.049 7.506 19.185 466 HG22 THR 62 HG22 THR 62 3.933 6.515 18.016 467 HG23 THR 62 HG23 THR 62 2.264 7.026 17.674 468 H ARG 63 H ARG 63 5.897 9.131 14.453 469 HA ARG 63 HA ARG 63 6.763 6.417 13.841 470 HB2 ARG 63 HB2 ARG 63 7.225 8.362 12.331 471 HB3 ARG 63 HB3 ARG 63 8.304 9.023 13.576 472 HG2 ARG 63 HG2 ARG 63 9.569 6.742 13.414 473 HG3 ARG 63 HG3 ARG 63 8.546 6.424 12.005 474 HD2 ARG 63 HD2 ARG 63 10.606 7.222 11.205 475 HD3 ARG 63 HD3 ARG 63 9.453 8.537 10.971 476 HE ARG 63 HE ARG 63 11.632 8.359 13.030 477 HH11 ARG 63 HH11 ARG 63 9.220 10.449 11.603 478 HH12 ARG 63 HH12 ARG 63 9.881 11.872 12.363 479 HH21 ARG 63 HH21 ARG 63 12.413 10.191 13.971 480 HH22 ARG 63 HH22 ARG 63 11.653 11.717 13.650 481 H ASP 64 H ASP 64 7.291 5.184 15.503 482 HA ASP 64 HA ASP 64 9.369 6.099 17.449 483 HB2 ASP 64 HB2 ASP 64 7.052 5.494 18.261 484 HB3 ASP 64 HB3 ASP 64 7.364 3.839 17.741 485 H VAL 65 H VAL 65 9.356 4.466 14.690 486 HA VAL 65 HA VAL 65 10.889 2.073 15.311 487 HB VAL 65 HB VAL 65 9.541 2.046 13.361 488 HG11 VAL 65 HG11 VAL 65 10.034 3.432 11.343 489 HG12 VAL 65 HG12 VAL 65 9.366 4.344 12.692 490 HG13 VAL 65 HG13 VAL 65 11.110 4.440 12.323 491 HG21 VAL 65 HG21 VAL 65 12.389 2.216 12.330 492 HG22 VAL 65 HG22 VAL 65 11.739 0.841 13.278 493 HG23 VAL 65 HG23 VAL 65 11.061 1.241 11.705 494 H ASP 66 H ASP 66 12.999 1.703 15.276 495 HA ASP 66 HA ASP 66 14.938 3.770 14.332 496 HB2 ASP 66 HB2 ASP 66 14.705 3.639 16.866 497 HB3 ASP 66 HB3 ASP 66 15.366 2.007 16.765 498 H CYS 67 H CYS 67 13.697 1.140 13.351 499 HA CYS 67 HA CYS 67 14.143 -0.852 12.377 500 HB2 CYS 67 HB2 CYS 67 16.629 0.488 11.335 501 HB3 CYS 67 HB3 CYS 67 15.624 -0.741 10.559 502 H ASP 68 H ASP 68 14.758 -1.028 14.924 503 HA ASP 68 HA ASP 68 16.824 -3.094 15.184 504 HB2 ASP 68 HB2 ASP 68 17.891 -0.764 15.501 505 HB3 ASP 68 HB3 ASP 68 16.953 -0.640 16.984 506 H ASN 69 H ASN 69 14.250 -1.116 16.732 507 HA ASN 69 HA ASN 69 13.859 -3.101 18.858 508 HB2 ASN 69 HB2 ASN 69 12.342 -1.538 19.857 509 HB3 ASN 69 HB3 ASN 69 13.914 -0.817 19.548 510 HD21 ASN 69 HD21 ASN 69 14.006 0.975 18.344 511 HD22 ASN 69 HD22 ASN 69 12.571 1.755 17.663 512 H ILE 70 H ILE 70 12.677 -2.665 15.688 513 HA ILE 70 HA ILE 70 9.922 -3.105 16.005 514 HB ILE 70 HB ILE 70 9.851 -3.564 13.654 515 HG12 ILE 70 HG12 ILE 70 12.850 -4.022 13.873 516 HG13 ILE 70 HG13 ILE 70 11.603 -5.110 13.236 517 HG21 ILE 70 HG21 ILE 70 11.948 -1.424 14.202 518 HG22 ILE 70 HG22 ILE 70 10.732 -1.459 12.903 519 HG23 ILE 70 HG23 ILE 70 10.217 -1.255 14.576 520 HD11 ILE 70 HD11 ILE 70 12.655 -2.578 11.971 521 HD12 ILE 70 HD12 ILE 70 12.828 -4.244 11.387 522 HD13 ILE 70 HD13 ILE 70 11.229 -3.466 11.364 523 H MET 71 H MET 71 12.342 -5.257 16.620 524 HA MET 71 HA MET 71 11.233 -7.859 16.190 525 HB2 MET 71 HB2 MET 71 13.511 -7.391 16.958 526 HB3 MET 71 HB3 MET 71 12.915 -6.806 18.507 527 HG2 MET 71 HG2 MET 71 12.295 -9.617 17.549 528 HG3 MET 71 HG3 MET 71 13.864 -9.223 18.246 529 HE1 MET 71 HE1 MET 71 13.618 -11.100 20.030 530 HE2 MET 71 HE2 MET 71 12.226 -11.262 21.122 531 HE3 MET 71 HE3 MET 71 12.019 -11.524 19.377 532 H SER 72 H SER 72 10.413 -5.422 18.713 533 HA SER 72 HA SER 72 8.556 -7.290 20.049 534 HB2 SER 72 HB2 SER 72 8.201 -5.520 21.637 535 HB3 SER 72 HB3 SER 72 9.937 -5.735 21.361 536 HG SER 72 HG SER 72 9.345 -3.522 21.349 537 H THR 73 H THR 73 8.308 -5.125 17.437 538 HA THR 73 HA THR 73 5.427 -4.491 17.804 539 HB THR 73 HB THR 73 5.563 -3.147 15.860 540 HG1 THR 73 HG1 THR 73 8.008 -4.480 15.390 541 HG21 THR 73 HG21 THR 73 7.357 -1.563 16.294 542 HG22 THR 73 HG22 THR 73 8.178 -2.720 17.359 543 HG23 THR 73 HG23 THR 73 6.587 -2.076 17.808 544 H ASN 74 H ASN 74 4.153 -4.722 15.530 545 HA ASN 74 HA ASN 74 4.036 -7.555 14.899 546 HB2 ASN 74 HB2 ASN 74 2.154 -7.091 13.657 547 HB3 ASN 74 HB3 ASN 74 2.079 -5.967 15.003 548 HD21 ASN 74 HD21 ASN 74 2.010 -3.676 14.497 549 HD22 ASN 74 HD22 ASN 74 1.882 -3.193 12.810 550 H LEU 75 H LEU 75 6.036 -5.099 13.700 551 HA LEU 75 HA LEU 75 6.380 -6.099 10.976 552 HB2 LEU 75 HB2 LEU 75 7.839 -3.967 12.596 553 HB3 LEU 75 HB3 LEU 75 8.073 -4.263 10.905 554 HG LEU 75 HG LEU 75 6.784 -2.417 10.887 555 HD11 LEU 75 HD11 LEU 75 4.701 -2.974 9.881 556 HD12 LEU 75 HD12 LEU 75 4.711 -4.597 10.571 557 HD13 LEU 75 HD13 LEU 75 5.925 -4.133 9.351 558 HD21 LEU 75 HD21 LEU 75 6.086 -2.325 13.229 559 HD22 LEU 75 HD22 LEU 75 4.817 -3.525 12.901 560 HD23 LEU 75 HD23 LEU 75 4.764 -1.946 12.114 561 H PHE 76 H PHE 76 7.329 -7.691 13.489 562 HA PHE 76 HA PHE 76 10.177 -7.791 13.566 563 HB2 PHE 76 HB2 PHE 76 9.875 -9.508 15.148 564 HB3 PHE 76 HB3 PHE 76 8.576 -8.360 15.412 565 HD1 PHE 76 HD1 PHE 76 6.211 -8.966 14.648 566 HD2 PHE 76 HD2 PHE 76 9.454 -11.796 14.559 567 HE1 PHE 76 HE1 PHE 76 4.576 -10.820 14.508 568 HE2 PHE 76 HE2 PHE 76 7.815 -13.661 14.413 569 HZ PHE 76 HZ PHE 76 5.374 -13.176 14.396 570 H HIS 77 H HIS 77 8.140 -9.010 11.290 571 HA HIS 77 HA HIS 77 8.966 -11.639 10.696 572 HB2 HIS 77 HB2 HIS 77 7.776 -9.460 8.938 573 HB3 HIS 77 HB3 HIS 77 7.813 -11.175 8.503 574 HD1 HIS 77 HD1 HIS 77 6.572 -12.742 10.706 575 HD2 HIS 77 HD2 HIS 77 5.501 -8.730 9.897 576 HE1 HIS 77 HE1 HIS 77 4.266 -12.362 11.788 577 HE2 HIS 77 HE2 HIS 77 3.638 -9.903 11.305 578 H CYS 78 H CYS 78 11.059 -9.175 10.506 579 HA CYS 78 HA CYS 78 12.993 -8.654 9.393 580 HB2 CYS 78 HB2 CYS 78 13.339 -11.017 10.335 581 HB3 CYS 78 HB3 CYS 78 13.216 -11.576 8.668 582 H LYS 79 H LYS 79 10.669 -8.338 7.810 583 HA LYS 79 HA LYS 79 11.024 -9.192 5.086 584 HB2 LYS 79 HB2 LYS 79 9.299 -7.401 4.585 585 HB3 LYS 79 HB3 LYS 79 8.859 -8.687 5.691 586 HG2 LYS 79 HG2 LYS 79 7.938 -6.700 6.556 587 HG3 LYS 79 HG3 LYS 79 9.231 -7.183 7.633 588 HD2 LYS 79 HD2 LYS 79 10.229 -5.351 5.579 589 HD3 LYS 79 HD3 LYS 79 8.801 -4.682 6.326 590 HE2 LYS 79 HE2 LYS 79 11.268 -5.653 7.859 591 HE3 LYS 79 HE3 LYS 79 10.994 -3.987 7.359 592 HZ1 LYS 79 HZ1 LYS 79 9.340 -5.525 9.293 593 HZ2 LYS 79 HZ2 LYS 79 8.896 -4.050 8.698 594 HZ3 LYS 79 HZ3 LYS 79 10.260 -4.221 9.595 595 H ASP 80 H ASP 80 11.510 -7.981 3.240 596 HA ASP 80 HA ASP 80 14.125 -6.957 3.347 597 HB2 ASP 80 HB2 ASP 80 12.073 -6.760 1.105 598 HB3 ASP 80 HB3 ASP 80 13.795 -6.443 0.924 599 H LYS 81 H LYS 81 11.126 -5.115 3.174 600 HA LYS 81 HA LYS 81 12.353 -2.911 4.477 601 HB2 LYS 81 HB2 LYS 81 11.859 -1.117 2.815 602 HB3 LYS 81 HB3 LYS 81 13.138 -2.196 2.276 603 HG2 LYS 81 HG2 LYS 81 11.764 -3.299 0.724 604 HG3 LYS 81 HG3 LYS 81 10.277 -2.562 1.381 605 HD2 LYS 81 HD2 LYS 81 11.563 -0.287 0.744 606 HD3 LYS 81 HD3 LYS 81 12.373 -1.346 -0.410 607 HE2 LYS 81 HE2 LYS 81 9.358 -0.944 -0.143 608 HE3 LYS 81 HE3 LYS 81 10.392 -0.125 -1.314 609 HZ1 LYS 81 HZ1 LYS 81 10.939 -2.299 -2.272 610 HZ2 LYS 81 HZ2 LYS 81 9.330 -2.041 -2.320 611 HZ3 LYS 81 HZ3 LYS 81 9.953 -3.062 -1.210 612 H ASN 82 H ASN 82 10.818 -1.171 5.002 613 HA ASN 82 HA ASN 82 7.982 -1.728 4.335 614 HB2 ASN 82 HB2 ASN 82 8.654 -2.516 6.762 615 HB3 ASN 82 HB3 ASN 82 8.690 -0.800 7.139 616 HD21 ASN 82 HD21 ASN 82 6.916 -1.047 8.628 617 HD22 ASN 82 HD22 ASN 82 5.320 -1.527 8.072 618 H THR 83 H THR 83 6.635 0.158 4.414 619 HA THR 83 HA THR 83 8.114 2.757 4.290 620 HB THR 83 HB THR 83 5.661 1.990 2.655 621 HG1 THR 83 HG1 THR 83 7.221 2.004 0.946 622 HG21 THR 83 HG21 THR 83 5.859 4.381 3.015 623 HG22 THR 83 HG22 THR 83 6.413 4.035 1.367 624 HG23 THR 83 HG23 THR 83 7.599 4.341 2.673 625 H PHE 84 H PHE 84 7.722 3.451 6.356 626 HA PHE 84 HA PHE 84 5.045 3.346 7.534 627 HB2 PHE 84 HB2 PHE 84 7.563 4.602 8.567 628 HB3 PHE 84 HB3 PHE 84 6.032 4.547 9.423 629 HD1 PHE 84 HD1 PHE 84 5.008 2.084 9.723 630 HD2 PHE 84 HD2 PHE 84 9.167 3.037 9.063 631 HE1 PHE 84 HE1 PHE 84 5.668 -0.040 10.826 632 HE2 PHE 84 HE2 PHE 84 9.811 0.818 10.001 633 HZ PHE 84 HZ PHE 84 8.078 -0.671 10.989 634 H ILE 85 H ILE 85 3.556 4.752 7.127 635 HA ILE 85 HA ILE 85 4.130 7.524 6.152 636 HB ILE 85 HB ILE 85 1.620 5.823 6.277 637 HG12 ILE 85 HG12 ILE 85 3.081 6.878 3.812 638 HG13 ILE 85 HG13 ILE 85 3.346 5.269 4.483 639 HG21 ILE 85 HG21 ILE 85 0.421 7.602 5.108 640 HG22 ILE 85 HG22 ILE 85 1.032 8.201 6.634 641 HG23 ILE 85 HG23 ILE 85 1.872 8.635 5.129 642 HD11 ILE 85 HD11 ILE 85 0.738 6.305 3.332 643 HD12 ILE 85 HD12 ILE 85 1.780 5.017 2.708 644 HD13 ILE 85 HD13 ILE 85 0.901 4.790 4.242 645 H TYR 86 H TYR 86 4.448 8.954 7.852 646 HA TYR 86 HA TYR 86 2.896 8.643 10.338 647 HB2 TYR 86 HB2 TYR 86 5.191 9.379 10.490 648 HB3 TYR 86 HB3 TYR 86 4.837 10.736 9.429 649 HD1 TYR 86 HD1 TYR 86 2.195 10.088 11.926 650 HD2 TYR 86 HD2 TYR 86 5.998 12.037 11.254 651 HE1 TYR 86 HE1 TYR 86 1.755 11.621 13.802 652 HE2 TYR 86 HE2 TYR 86 5.552 13.545 13.172 653 HH TYR 86 HH TYR 86 4.063 14.167 14.799 654 H SER 87 H SER 87 0.759 8.736 9.599 655 HA SER 87 HA SER 87 -0.254 11.487 9.228 656 HB2 SER 87 HB2 SER 87 -0.986 9.242 7.295 657 HB3 SER 87 HB3 SER 87 -1.761 10.833 7.372 658 HG SER 87 HG SER 87 0.916 11.111 7.237 659 H ARG 88 H ARG 88 -2.516 11.699 9.571 660 HA ARG 88 HA ARG 88 -3.822 9.795 11.399 661 HB2 ARG 88 HB2 ARG 88 -4.486 12.510 10.173 662 HB3 ARG 88 HB3 ARG 88 -5.774 11.527 10.866 663 HG2 ARG 88 HG2 ARG 88 -4.466 11.304 12.974 664 HG3 ARG 88 HG3 ARG 88 -3.254 12.423 12.329 665 HD2 ARG 88 HD2 ARG 88 -4.690 14.263 12.474 666 HD3 ARG 88 HD3 ARG 88 -6.147 13.289 12.325 667 HE ARG 88 HE ARG 88 -4.621 13.840 14.793 668 HH11 ARG 88 HH11 ARG 88 -7.237 11.960 13.428 669 HH12 ARG 88 HH12 ARG 88 -7.779 11.404 14.987 670 HH21 ARG 88 HH21 ARG 88 -5.390 13.136 16.753 671 HH22 ARG 88 HH22 ARG 88 -6.771 12.084 16.816 672 HA PRO 89 HA PRO 89 -5.966 7.496 8.317 673 HB2 PRO 89 HB2 PRO 89 -8.508 7.137 9.344 674 HB3 PRO 89 HB3 PRO 89 -7.043 6.317 9.965 675 HG2 PRO 89 HG2 PRO 89 -8.373 8.830 11.022 676 HG3 PRO 89 HG3 PRO 89 -7.844 7.383 11.944 677 HD2 PRO 89 HD2 PRO 89 -6.296 9.589 11.813 678 HD3 PRO 89 HD3 PRO 89 -5.561 7.964 11.717 679 H GLU 90 H GLU 90 -7.331 10.622 9.164 680 HA GLU 90 HA GLU 90 -9.520 10.648 7.317 681 HB2 GLU 90 HB2 GLU 90 -8.026 12.885 8.720 682 HB3 GLU 90 HB3 GLU 90 -9.419 13.150 7.659 683 HG2 GLU 90 HG2 GLU 90 -10.806 11.701 9.093 684 HG3 GLU 90 HG3 GLU 90 -9.422 11.367 10.134 685 HA PRO 91 HA PRO 91 -6.845 12.910 4.082 686 HB2 PRO 91 HB2 PRO 91 -4.106 13.014 4.301 687 HB3 PRO 91 HB3 PRO 91 -5.189 14.244 5.014 688 HG2 PRO 91 HG2 PRO 91 -3.919 11.839 6.354 689 HG3 PRO 91 HG3 PRO 91 -3.972 13.533 6.943 690 HD2 PRO 91 HD2 PRO 91 -5.716 11.669 7.814 691 HD3 PRO 91 HD3 PRO 91 -6.247 13.340 7.552 692 H VAL 92 H VAL 92 -6.365 9.892 5.322 693 HA VAL 92 HA VAL 92 -5.100 8.738 2.852 694 HB VAL 92 HB VAL 92 -5.663 7.372 5.511 695 HG11 VAL 92 HG11 VAL 92 -3.992 5.737 4.699 696 HG12 VAL 92 HG12 VAL 92 -5.382 5.832 3.611 697 HG13 VAL 92 HG13 VAL 92 -3.857 6.625 3.168 698 HG21 VAL 92 HG21 VAL 92 -2.978 8.483 4.604 699 HG22 VAL 92 HG22 VAL 92 -3.985 9.230 5.851 700 HG23 VAL 92 HG23 VAL 92 -3.328 7.619 6.109 701 H LYS 93 H LYS 93 -7.856 8.131 5.064 702 HA LYS 93 HA LYS 93 -9.186 6.379 3.217 703 HB2 LYS 93 HB2 LYS 93 -9.526 6.858 5.869 704 HB3 LYS 93 HB3 LYS 93 -10.855 7.832 5.231 705 HG2 LYS 93 HG2 LYS 93 -11.267 5.605 3.769 706 HG3 LYS 93 HG3 LYS 93 -10.397 4.847 5.108 707 HD2 LYS 93 HD2 LYS 93 -12.991 6.462 5.311 708 HD3 LYS 93 HD3 LYS 93 -12.833 4.708 5.280 709 HE2 LYS 93 HE2 LYS 93 -13.095 5.026 7.499 710 HE3 LYS 93 HE3 LYS 93 -11.340 4.931 7.342 711 HZ1 LYS 93 HZ1 LYS 93 -12.041 6.747 8.790 712 HZ2 LYS 93 HZ2 LYS 93 -12.892 7.450 7.591 713 HZ3 LYS 93 HZ3 LYS 93 -11.255 7.361 7.497 714 H ALA 94 H ALA 94 -9.626 9.844 3.864 715 HA ALA 94 HA ALA 94 -12.003 10.071 2.236 716 HB1 ALA 94 HB1 ALA 94 -11.900 12.412 2.816 717 HB2 ALA 94 HB2 ALA 94 -11.507 11.451 4.255 718 HB3 ALA 94 HB3 ALA 94 -10.210 12.263 3.336 719 H ILE 95 H ILE 95 -8.778 9.865 1.245 720 HA ILE 95 HA ILE 95 -8.652 11.554 -1.010 721 HB ILE 95 HB ILE 95 -7.672 8.676 -0.878 722 HG12 ILE 95 HG12 ILE 95 -6.106 11.205 -0.177 723 HG13 ILE 95 HG13 ILE 95 -6.834 10.144 1.020 724 HG21 ILE 95 HG21 ILE 95 -6.055 9.350 -2.588 725 HG22 ILE 95 HG22 ILE 95 -7.656 9.729 -3.180 726 HG23 ILE 95 HG23 ILE 95 -6.637 11.028 -2.544 727 HD11 ILE 95 HD11 ILE 95 -4.510 9.597 0.839 728 HD12 ILE 95 HD12 ILE 95 -5.453 8.240 0.209 729 HD13 ILE 95 HD13 ILE 95 -4.617 9.350 -0.904 730 H CYS 96 H CYS 96 -10.481 8.561 -0.520 731 HA CYS 96 HA CYS 96 -11.847 8.949 -3.147 732 HB2 CYS 96 HB2 CYS 96 -12.467 6.590 -2.998 733 HB3 CYS 96 HB3 CYS 96 -10.729 6.853 -3.145 734 H LYS 97 H LYS 97 -14.055 8.561 -3.246 735 HA LYS 97 HA LYS 97 -15.755 8.406 -0.861 736 HB2 LYS 97 HB2 LYS 97 -15.079 10.802 -1.009 737 HB3 LYS 97 HB3 LYS 97 -15.803 10.924 -2.602 738 HG2 LYS 97 HG2 LYS 97 -17.424 10.029 -0.177 739 HG3 LYS 97 HG3 LYS 97 -17.064 11.730 -0.461 740 HD2 LYS 97 HD2 LYS 97 -18.146 11.592 -2.706 741 HD3 LYS 97 HD3 LYS 97 -18.646 9.927 -2.338 742 HE2 LYS 97 HE2 LYS 97 -19.889 10.708 -0.362 743 HE3 LYS 97 HE3 LYS 97 -19.345 12.365 -0.647 744 HZ1 LYS 97 HZ1 LYS 97 -21.061 10.803 -2.507 745 HZ2 LYS 97 HZ2 LYS 97 -20.559 12.339 -2.757 746 HZ3 LYS 97 HZ3 LYS 97 -21.577 12.003 -1.530 747 H GLY 98 H GLY 98 -16.975 6.749 -1.547 748 HA2 GLY 98 HA2 GLY 98 -18.792 5.786 -2.684 749 HA3 GLY 98 HA3 GLY 98 -18.708 7.039 -3.912 750 H ILE 99 H ILE 99 -15.616 5.766 -3.540 751 HA ILE 99 HA ILE 99 -15.732 4.416 -6.112 752 HB ILE 99 HB ILE 99 -13.425 4.816 -4.180 753 HG12 ILE 99 HG12 ILE 99 -14.295 6.225 -6.751 754 HG13 ILE 99 HG13 ILE 99 -14.306 6.901 -5.126 755 HG21 ILE 99 HG21 ILE 99 -12.003 4.136 -6.117 756 HG22 ILE 99 HG22 ILE 99 -12.987 2.814 -5.545 757 HG23 ILE 99 HG23 ILE 99 -13.456 3.695 -7.028 758 HD11 ILE 99 HD11 ILE 99 -11.902 6.321 -6.867 759 HD12 ILE 99 HD12 ILE 99 -12.434 7.856 -6.156 760 HD13 ILE 99 HD13 ILE 99 -11.753 6.592 -5.120 761 H ILE 100 H ILE 100 -16.463 2.514 -6.352 762 HA ILE 100 HA ILE 100 -15.926 0.286 -4.425 763 HB ILE 100 HB ILE 100 -17.914 0.342 -6.731 764 HG12 ILE 100 HG12 ILE 100 -18.306 0.994 -3.778 765 HG13 ILE 100 HG13 ILE 100 -18.544 2.101 -5.133 766 HG21 ILE 100 HG21 ILE 100 -17.774 -1.390 -4.239 767 HG22 ILE 100 HG22 ILE 100 -18.912 -1.583 -5.589 768 HG23 ILE 100 HG23 ILE 100 -17.216 -1.935 -5.841 769 HD11 ILE 100 HD11 ILE 100 -20.684 1.481 -4.365 770 HD12 ILE 100 HD12 ILE 100 -20.442 0.652 -5.918 771 HD13 ILE 100 HD13 ILE 100 -20.299 -0.240 -4.377 772 H ALA 101 H ALA 101 -14.958 1.566 -7.403 773 HA ALA 101 HA ALA 101 -14.531 -0.711 -9.012 774 HB1 ALA 101 HB1 ALA 101 -14.996 1.604 -9.778 775 HB2 ALA 101 HB2 ALA 101 -13.379 2.105 -9.222 776 HB3 ALA 101 HB3 ALA 101 -13.551 0.934 -10.546 777 H SER 102 H SER 102 -12.733 -0.476 -6.350 778 HA SER 102 HA SER 102 -10.551 -0.809 -5.691 779 HB2 SER 102 HB2 SER 102 -11.285 -2.989 -6.576 780 HB3 SER 102 HB3 SER 102 -10.433 -2.636 -8.087 781 HG SER 102 HG SER 102 -8.507 -2.582 -6.971 782 H LYS 103 H LYS 103 -10.276 1.571 -6.442 783 HA LYS 103 HA LYS 103 -7.647 1.829 -7.647 784 HB2 LYS 103 HB2 LYS 103 -9.086 1.752 -9.677 785 HB3 LYS 103 HB3 LYS 103 -9.935 3.201 -9.125 786 HG2 LYS 103 HG2 LYS 103 -7.947 4.544 -9.353 787 HG3 LYS 103 HG3 LYS 103 -6.909 3.112 -9.499 788 HD2 LYS 103 HD2 LYS 103 -7.942 2.575 -11.679 789 HD3 LYS 103 HD3 LYS 103 -8.979 4.017 -11.545 790 HE2 LYS 103 HE2 LYS 103 -6.983 5.468 -11.462 791 HE3 LYS 103 HE3 LYS 103 -5.922 4.056 -11.486 792 HZ1 LYS 103 HZ1 LYS 103 -6.142 5.036 -13.697 793 HZ2 LYS 103 HZ2 LYS 103 -7.760 4.824 -13.693 794 HZ3 LYS 103 HZ3 LYS 103 -6.762 3.529 -13.708 795 H ASN 104 H ASN 104 -6.677 3.943 -7.163 796 HA ASN 104 HA ASN 104 -8.438 5.968 -5.962 797 HB2 ASN 104 HB2 ASN 104 -6.965 4.370 -4.297 798 HB3 ASN 104 HB3 ASN 104 -5.788 5.629 -4.600 799 HD21 ASN 104 HD21 ASN 104 -6.948 5.099 -2.034 800 HD22 ASN 104 HD22 ASN 104 -7.771 6.577 -1.601 801 H VAL 105 H VAL 105 -6.625 7.892 -5.353 802 HA VAL 105 HA VAL 105 -4.963 8.382 -7.786 803 HB VAL 105 HB VAL 105 -6.511 10.516 -6.258 804 HG11 VAL 105 HG11 VAL 105 -5.016 10.589 -8.923 805 HG12 VAL 105 HG12 VAL 105 -5.940 11.930 -8.212 806 HG13 VAL 105 HG13 VAL 105 -4.486 11.354 -7.408 807 HG21 VAL 105 HG21 VAL 105 -7.191 9.226 -8.938 808 HG22 VAL 105 HG22 VAL 105 -8.168 9.166 -7.453 809 HG23 VAL 105 HG23 VAL 105 -7.948 10.700 -8.290 810 H LEU 106 H LEU 106 -2.923 9.100 -7.330 811 HA LEU 106 HA LEU 106 -1.668 8.975 -4.837 812 HB2 LEU 106 HB2 LEU 106 -0.534 9.128 -7.067 813 HB3 LEU 106 HB3 LEU 106 -1.107 10.783 -7.237 814 HG LEU 106 HG LEU 106 0.333 11.330 -5.170 815 HD11 LEU 106 HD11 LEU 106 0.532 8.932 -4.481 816 HD12 LEU 106 HD12 LEU 106 2.045 9.845 -4.507 817 HD13 LEU 106 HD13 LEU 106 1.655 8.708 -5.826 818 HD21 LEU 106 HD21 LEU 106 2.433 11.322 -6.538 819 HD22 LEU 106 HD22 LEU 106 1.023 12.014 -7.362 820 HD23 LEU 106 HD23 LEU 106 1.559 10.376 -7.768 821 H THR 107 H THR 107 -1.302 10.377 -3.141 822 HA THR 107 HA THR 107 -3.040 12.645 -2.721 823 HB THR 107 HB THR 107 -0.823 13.035 -1.029 824 HG1 THR 107 HG1 THR 107 -1.501 10.312 -0.948 825 HG21 THR 107 HG21 THR 107 -2.360 12.050 0.706 826 HG22 THR 107 HG22 THR 107 -3.439 11.521 -0.595 827 HG23 THR 107 HG23 THR 107 -3.159 13.255 -0.325 828 H THR 108 H THR 108 -2.236 14.837 -2.093 829 HA THR 108 HA THR 108 -0.406 15.982 -4.138 830 HB THR 108 HB THR 108 -1.831 18.009 -3.665 831 HG1 THR 108 HG1 THR 108 -3.815 17.627 -2.665 832 HG21 THR 108 HG21 THR 108 -2.232 16.578 -5.652 833 HG22 THR 108 HG22 THR 108 -3.742 17.257 -5.016 834 HG23 THR 108 HG23 THR 108 -3.328 15.561 -4.689 835 H SER 109 H SER 109 -1.157 15.917 -0.736 836 HA SER 109 HA SER 109 0.703 18.079 0.042 837 HB2 SER 109 HB2 SER 109 -0.931 16.092 1.670 838 HB3 SER 109 HB3 SER 109 0.084 17.361 2.370 839 HG SER 109 HG SER 109 -2.057 17.815 0.535 840 H GLU 110 H GLU 110 2.316 17.583 1.826 841 HA GLU 110 HA GLU 110 3.892 15.147 1.146 842 HB2 GLU 110 HB2 GLU 110 4.986 17.830 2.017 843 HB3 GLU 110 HB3 GLU 110 5.885 16.413 1.460 844 HG2 GLU 110 HG2 GLU 110 4.580 16.616 -0.737 845 HG3 GLU 110 HG3 GLU 110 4.055 18.203 -0.183 846 H PHE 111 H PHE 111 3.850 13.679 2.688 847 HA PHE 111 HA PHE 111 3.406 14.446 5.527 848 HB2 PHE 111 HB2 PHE 111 3.071 11.729 4.218 849 HB3 PHE 111 HB3 PHE 111 2.460 12.257 5.776 850 HD1 PHE 111 HD2 PHE 111 2.063 12.525 2.104 851 HD2 PHE 111 HD1 PHE 111 0.291 13.429 5.923 852 HE1 PHE 111 HE2 PHE 111 -0.034 13.136 0.975 853 HE2 PHE 111 HE1 PHE 111 -1.839 14.000 4.791 854 HZ PHE 111 HZ PHE 111 -2.000 13.855 2.294 855 H TYR 112 H TYR 112 4.509 12.969 7.164 856 HA TYR 112 HA TYR 112 7.363 12.917 6.560 857 HB2 TYR 112 HB2 TYR 112 5.693 12.852 8.949 858 HB3 TYR 112 HB3 TYR 112 6.932 11.607 9.010 859 HD1 TYR 112 HD2 TYR 112 6.447 15.270 8.421 860 HD2 TYR 112 HD1 TYR 112 9.173 12.110 9.503 861 HE1 TYR 112 HE2 TYR 112 8.158 16.968 9.053 862 HE2 TYR 112 HE1 TYR 112 10.886 13.817 10.157 863 HH TYR 112 HH TYR 112 10.266 17.331 9.871 864 H LEU 113 H LEU 113 8.171 11.425 5.318 865 HA LEU 113 HA LEU 113 7.064 8.683 5.342 866 HB2 LEU 113 HB2 LEU 113 7.917 10.484 3.272 867 HB3 LEU 113 HB3 LEU 113 9.008 9.111 3.259 868 HG LEU 113 HG LEU 113 7.193 8.751 1.766 869 HD11 LEU 113 HD11 LEU 113 6.390 6.610 2.420 870 HD12 LEU 113 HD12 LEU 113 6.761 6.899 4.123 871 HD13 LEU 113 HD13 LEU 113 8.079 6.780 2.932 872 HD21 LEU 113 HD21 LEU 113 5.232 8.894 4.087 873 HD22 LEU 113 HD22 LEU 113 4.863 8.594 2.378 874 HD23 LEU 113 HD23 LEU 113 5.480 10.175 2.888 875 H SER 114 H SER 114 8.047 7.034 6.124 876 HA SER 114 HA SER 114 10.945 7.149 6.882 877 HB2 SER 114 HB2 SER 114 9.653 7.664 8.833 878 HB3 SER 114 HB3 SER 114 8.554 6.335 8.535 879 HG SER 114 HG SER 114 10.021 5.593 10.032 880 H ASP 115 H ASP 115 11.635 5.945 5.193 881 HA ASP 115 HA ASP 115 10.609 3.200 4.748 882 HB2 ASP 115 HB2 ASP 115 12.970 4.708 3.562 883 HB3 ASP 115 HB3 ASP 115 12.439 3.105 3.084 884 H CYS 116 H CYS 116 12.063 1.395 5.032 885 HA CYS 116 HA CYS 116 14.782 1.908 5.911 886 HB2 CYS 116 HB2 CYS 116 12.949 1.242 7.961 887 HB3 CYS 116 HB3 CYS 116 13.839 -0.244 7.654 888 H ASN 117 H ASN 117 16.132 0.487 4.886 889 HA ASN 117 HA ASN 117 14.863 -1.813 3.428 890 HB2 ASN 117 HB2 ASN 117 16.876 0.290 2.519 891 HB3 ASN 117 HB3 ASN 117 16.713 -1.268 1.714 892 HD21 ASN 117 HD21 ASN 117 14.827 1.680 2.576 893 HD22 ASN 117 HD22 ASN 117 13.769 1.499 1.181 894 H VAL 118 H VAL 118 15.852 -3.736 3.522 895 HA VAL 118 HA VAL 118 17.771 -4.260 5.595 896 HB VAL 118 HB VAL 118 16.707 -5.876 3.293 897 HG11 VAL 118 HG11 VAL 118 17.759 -7.918 4.241 898 HG12 VAL 118 HG12 VAL 118 18.963 -6.824 3.571 899 HG13 VAL 118 HG13 VAL 118 18.726 -6.910 5.337 900 HG21 VAL 118 HG21 VAL 118 15.697 -7.189 5.124 901 HG22 VAL 118 HG22 VAL 118 16.519 -6.167 6.319 902 HG23 VAL 118 HG23 VAL 118 15.274 -5.481 5.254 903 H THR 119 H THR 119 19.909 -4.793 5.641 904 HA THR 119 HA THR 119 21.539 -4.604 3.172 905 HB THR 119 HB THR 119 21.729 -2.394 3.912 906 HG1 THR 119 HG1 THR 119 23.983 -2.337 4.275 907 HG21 THR 119 HG21 THR 119 22.612 -1.636 6.015 908 HG22 THR 119 HG22 THR 119 22.742 -3.299 6.623 909 HG23 THR 119 HG23 THR 119 21.149 -2.583 6.289 910 H SER 120 H SER 120 22.163 -6.551 3.015 911 HA SER 120 HA SER 120 22.763 -8.394 5.167 912 HB2 SER 120 HB2 SER 120 23.510 -9.881 3.282 913 HB3 SER 120 HB3 SER 120 21.836 -9.312 3.198 914 HG SER 120 HG SER 120 22.961 -9.119 1.164 Start of MODEL 12 1 H1 ARG 1 H1 ARG 1 15.779 -6.521 18.407 2 H2 ARG 1 H2 ARG 1 17.102 -7.039 19.226 3 H3 ARG 1 H3 ARG 1 16.640 -5.465 19.295 4 HA ARG 1 HA ARG 1 17.163 -5.100 16.988 5 HB2 ARG 1 HB2 ARG 1 19.466 -6.362 18.533 6 HB3 ARG 1 HB3 ARG 1 19.609 -5.415 17.049 7 HG2 ARG 1 HG2 ARG 1 18.307 -3.557 18.313 8 HG3 ARG 1 HG3 ARG 1 18.653 -4.452 19.784 9 HD2 ARG 1 HD2 ARG 1 20.799 -3.526 17.829 10 HD3 ARG 1 HD3 ARG 1 20.218 -2.545 19.181 11 HE ARG 1 HE ARG 1 20.962 -5.032 20.278 12 HH11 ARG 1 HH11 ARG 1 22.592 -2.362 18.731 13 HH12 ARG 1 HH12 ARG 1 24.053 -2.596 19.651 14 HH21 ARG 1 HH21 ARG 1 22.831 -5.279 21.433 15 HH22 ARG 1 HH22 ARG 1 24.172 -4.212 21.144 16 HA PRO 2 HA PRO 2 16.310 -9.268 15.391 17 HB2 PRO 2 HB2 PRO 2 14.703 -8.640 13.260 18 HB3 PRO 2 HB3 PRO 2 14.147 -8.663 14.955 19 HG2 PRO 2 HG2 PRO 2 14.993 -6.269 13.301 20 HG3 PRO 2 HG3 PRO 2 13.564 -6.439 14.361 21 HD2 PRO 2 HD2 PRO 2 15.845 -5.188 15.184 22 HD3 PRO 2 HD3 PRO 2 14.838 -6.147 16.299 23 H CYS 3 H CYS 3 17.002 -6.646 13.092 24 HA CYS 3 HA CYS 3 19.150 -8.176 11.738 25 HB2 CYS 3 HB2 CYS 3 16.808 -6.812 10.324 26 HB3 CYS 3 HB3 CYS 3 18.221 -7.467 9.528 27 H LYS 4 H LYS 4 19.876 -6.223 9.833 28 HA LYS 4 HA LYS 4 20.002 -3.624 11.279 29 HB2 LYS 4 HB2 LYS 4 22.132 -4.997 9.597 30 HB3 LYS 4 HB3 LYS 4 22.228 -3.314 10.102 31 HG2 LYS 4 HG2 LYS 4 21.976 -5.533 12.178 32 HG3 LYS 4 HG3 LYS 4 23.488 -5.204 11.377 33 HD2 LYS 4 HD2 LYS 4 23.592 -3.991 13.397 34 HD3 LYS 4 HD3 LYS 4 23.360 -2.800 12.129 35 HE2 LYS 4 HE2 LYS 4 22.032 -2.242 14.084 36 HE3 LYS 4 HE3 LYS 4 20.965 -2.598 12.737 37 HZ1 LYS 4 HZ1 LYS 4 21.618 -4.516 14.923 38 HZ2 LYS 4 HZ2 LYS 4 20.544 -4.777 13.698 39 HZ3 LYS 4 HZ3 LYS 4 20.222 -3.650 14.804 40 H TYR 5 H TYR 5 19.898 -1.828 9.995 41 HA TYR 5 HA TYR 5 19.006 -2.074 7.192 42 HB2 TYR 5 HB2 TYR 5 17.403 -0.592 9.306 43 HB3 TYR 5 HB3 TYR 5 17.005 -0.734 7.608 44 HD1 TYR 5 HD2 TYR 5 17.223 -2.573 10.827 45 HD2 TYR 5 HD1 TYR 5 15.764 -2.686 6.759 46 HE1 TYR 5 HE2 TYR 5 15.744 -4.497 11.403 47 HE2 TYR 5 HE1 TYR 5 14.225 -4.524 7.379 48 HH TYR 5 HH TYR 5 13.634 -6.003 8.943 49 H LYS 6 H LYS 6 19.008 -0.009 6.103 50 HA LYS 6 HA LYS 6 20.879 1.998 7.297 51 HB2 LYS 6 HB2 LYS 6 21.388 2.713 5.080 52 HB3 LYS 6 HB3 LYS 6 21.538 0.976 5.198 53 HG2 LYS 6 HG2 LYS 6 18.866 1.410 4.289 54 HG3 LYS 6 HG3 LYS 6 19.842 2.628 3.473 55 HD2 LYS 6 HD2 LYS 6 21.448 0.508 3.014 56 HD3 LYS 6 HD3 LYS 6 19.932 -0.384 3.278 57 HE2 LYS 6 HE2 LYS 6 18.857 1.026 1.505 58 HE3 LYS 6 HE3 LYS 6 20.355 1.937 1.327 59 HZ1 LYS 6 HZ1 LYS 6 21.450 -0.094 0.569 60 HZ2 LYS 6 HZ2 LYS 6 20.156 0.202 -0.374 61 HZ3 LYS 6 HZ3 LYS 6 20.086 -0.974 0.758 62 H LEU 7 H LEU 7 20.596 4.217 6.887 63 HA LEU 7 HA LEU 7 17.965 4.993 7.919 64 HB2 LEU 7 HB2 LEU 7 20.433 5.596 8.757 65 HB3 LEU 7 HB3 LEU 7 20.278 6.911 7.619 66 HG LEU 7 HG LEU 7 19.685 7.725 9.761 67 HD11 LEU 7 HD11 LEU 7 16.995 7.209 8.439 68 HD12 LEU 7 HD12 LEU 7 18.140 8.487 7.957 69 HD13 LEU 7 HD13 LEU 7 17.414 8.505 9.572 70 HD21 LEU 7 HD21 LEU 7 18.018 6.753 11.238 71 HD22 LEU 7 HD22 LEU 7 19.271 5.561 10.867 72 HD23 LEU 7 HD23 LEU 7 17.683 5.451 10.080 73 H LYS 8 H LYS 8 16.463 5.244 6.452 74 HA LYS 8 HA LYS 8 16.871 7.211 4.232 75 HB2 LYS 8 HB2 LYS 8 16.898 4.886 3.412 76 HB3 LYS 8 HB3 LYS 8 15.337 4.592 4.162 77 HG2 LYS 8 HG2 LYS 8 14.968 4.953 1.829 78 HG3 LYS 8 HG3 LYS 8 14.346 6.381 2.661 79 HD2 LYS 8 HD2 LYS 8 16.377 7.651 2.040 80 HD3 LYS 8 HD3 LYS 8 17.057 6.196 1.273 81 HE2 LYS 8 HE2 LYS 8 15.120 6.127 -0.286 82 HE3 LYS 8 HE3 LYS 8 14.446 7.569 0.479 83 HZ1 LYS 8 HZ1 LYS 8 17.055 7.461 -0.947 84 HZ2 LYS 8 HZ2 LYS 8 16.427 8.799 -0.246 85 HZ3 LYS 8 HZ3 LYS 8 15.688 8.126 -1.536 86 H LYS 9 H LYS 9 15.787 8.922 4.616 87 HA LYS 9 HA LYS 9 12.917 8.834 5.493 88 HB2 LYS 9 HB2 LYS 9 14.984 10.893 6.383 89 HB3 LYS 9 HB3 LYS 9 13.279 10.891 6.827 90 HG2 LYS 9 HG2 LYS 9 15.275 8.714 7.587 91 HG3 LYS 9 HG3 LYS 9 14.845 10.064 8.618 92 HD2 LYS 9 HD2 LYS 9 12.691 9.282 9.047 93 HD3 LYS 9 HD3 LYS 9 12.624 8.296 7.592 94 HE2 LYS 9 HE2 LYS 9 14.831 7.436 9.307 95 HE3 LYS 9 HE3 LYS 9 13.323 7.464 10.220 96 HZ1 LYS 9 HZ1 LYS 9 13.744 5.321 9.040 97 HZ2 LYS 9 HZ2 LYS 9 13.588 6.065 7.596 98 HZ3 LYS 9 HZ3 LYS 9 12.319 5.996 8.647 99 H SER 10 H SER 10 11.554 10.333 4.628 100 HA SER 10 HA SER 10 12.470 12.292 2.615 101 HB2 SER 10 HB2 SER 10 12.246 10.054 1.440 102 HB3 SER 10 HB3 SER 10 10.540 10.040 1.910 103 HG SER 10 HG SER 10 11.909 11.744 0.103 104 H THR 11 H THR 11 10.457 13.457 1.691 105 HA THR 11 HA THR 11 8.117 13.371 3.461 106 HB THR 11 HB THR 11 9.258 16.104 2.862 107 HG1 THR 11 HG1 THR 11 10.736 15.074 4.217 108 HG21 THR 11 HG21 THR 11 6.815 15.739 3.441 109 HG22 THR 11 HG22 THR 11 7.684 16.729 4.640 110 HG23 THR 11 HG23 THR 11 7.340 15.011 4.970 111 H ASN 12 H ASN 12 6.623 12.816 2.001 112 HA ASN 12 HA ASN 12 5.850 14.508 -0.141 113 HB2 ASN 12 HB2 ASN 12 6.438 13.358 -2.112 114 HB3 ASN 12 HB3 ASN 12 7.907 13.573 -1.221 115 HD21 ASN 12 HD21 ASN 12 8.077 11.344 0.476 116 HD22 ASN 12 HD22 ASN 12 8.096 9.956 -0.593 117 H LYS 13 H LYS 13 4.261 13.326 -1.683 118 HA LYS 13 HA LYS 13 2.060 12.097 -0.274 119 HB2 LYS 13 HB2 LYS 13 1.230 11.761 -2.692 120 HB3 LYS 13 HB3 LYS 13 1.421 13.380 -2.076 121 HG2 LYS 13 HG2 LYS 13 3.808 12.353 -3.514 122 HG3 LYS 13 HG3 LYS 13 2.340 12.423 -4.487 123 HD2 LYS 13 HD2 LYS 13 1.991 14.757 -4.016 124 HD3 LYS 13 HD3 LYS 13 3.262 14.781 -2.808 125 HE2 LYS 13 HE2 LYS 13 4.094 15.850 -4.801 126 HE3 LYS 13 HE3 LYS 13 4.986 14.352 -4.536 127 HZ1 LYS 13 HZ1 LYS 13 3.663 13.307 -6.280 128 HZ2 LYS 13 HZ2 LYS 13 4.321 14.672 -6.870 129 HZ3 LYS 13 HZ3 LYS 13 2.742 14.652 -6.470 130 H PHE 14 H PHE 14 0.979 10.156 -1.212 131 HA PHE 14 HA PHE 14 2.769 7.878 -1.825 132 HB2 PHE 14 HB2 PHE 14 1.643 6.520 -0.012 133 HB3 PHE 14 HB3 PHE 14 2.773 7.740 0.542 134 HD1 PHE 14 HD2 PHE 14 -0.890 7.004 0.167 135 HD2 PHE 14 HD1 PHE 14 2.103 9.489 2.026 136 HE1 PHE 14 HE2 PHE 14 -2.643 8.079 1.558 137 HE2 PHE 14 HE1 PHE 14 0.340 10.518 3.451 138 HZ PHE 14 HZ PHE 14 -2.025 9.914 3.142 139 H CYS 15 H CYS 15 1.840 6.252 -2.948 140 HA CYS 15 HA CYS 15 -0.976 6.685 -3.875 141 HB2 CYS 15 HB2 CYS 15 0.802 6.632 -5.613 142 HB3 CYS 15 HB3 CYS 15 1.145 4.961 -5.192 143 H VAL 16 H VAL 16 -2.411 5.123 -3.839 144 HA VAL 16 HA VAL 16 -1.999 2.482 -2.554 145 HB VAL 16 HB VAL 16 -3.797 2.858 -0.885 146 HG11 VAL 16 HG11 VAL 16 -1.403 4.635 -0.400 147 HG12 VAL 16 HG12 VAL 16 -2.528 3.987 0.811 148 HG13 VAL 16 HG13 VAL 16 -1.513 2.884 -0.113 149 HG21 VAL 16 HG21 VAL 16 -3.377 5.835 -1.313 150 HG22 VAL 16 HG22 VAL 16 -4.740 4.924 -1.978 151 HG23 VAL 16 HG23 VAL 16 -4.524 5.029 -0.219 152 H THR 17 H THR 17 -4.331 1.409 -2.317 153 HA THR 17 HA THR 17 -6.004 2.078 -4.740 154 HB THR 17 HB THR 17 -5.683 -0.710 -3.623 155 HG1 THR 17 HG1 THR 17 -4.271 -1.008 -5.444 156 HG21 THR 17 HG21 THR 17 -7.628 -0.280 -5.111 157 HG22 THR 17 HG22 THR 17 -6.473 -1.438 -5.778 158 HG23 THR 17 HG23 THR 17 -6.480 0.224 -6.383 159 H CYS 18 H CYS 18 -8.096 2.683 -4.235 160 HA CYS 18 HA CYS 18 -9.236 1.933 -1.606 161 HB2 CYS 18 HB2 CYS 18 -9.798 4.113 -3.575 162 HB3 CYS 18 HB3 CYS 18 -11.154 3.414 -2.702 163 H GLU 19 H GLU 19 -10.748 0.511 -1.346 164 HA GLU 19 HA GLU 19 -12.379 -0.450 -3.622 165 HB2 GLU 19 HB2 GLU 19 -10.335 -1.930 -3.284 166 HB3 GLU 19 HB3 GLU 19 -10.997 -2.370 -1.705 167 HG2 GLU 19 HG2 GLU 19 -13.082 -3.164 -2.831 168 HG3 GLU 19 HG3 GLU 19 -12.390 -2.738 -4.397 169 H ASN 20 H ASN 20 -14.346 0.031 -2.994 170 HA ASN 20 HA ASN 20 -16.204 0.483 -1.796 171 HB2 ASN 20 HB2 ASN 20 -15.179 -1.673 0.079 172 HB3 ASN 20 HB3 ASN 20 -16.719 -0.851 0.266 173 HD21 ASN 20 HD21 ASN 20 -14.894 -2.682 -2.293 174 HD22 ASN 20 HD22 ASN 20 -16.367 -3.445 -2.884 175 H GLN 21 H GLN 21 -14.547 2.374 -1.771 176 HA GLN 21 HA GLN 21 -14.213 4.443 -0.927 177 HB2 GLN 21 HB2 GLN 21 -16.219 3.724 1.236 178 HB3 GLN 21 HB3 GLN 21 -15.739 5.329 0.693 179 HG2 GLN 21 HG2 GLN 21 -17.607 5.210 -0.568 180 HG3 GLN 21 HG3 GLN 21 -16.568 4.313 -1.676 181 HE21 GLN 21 HE21 GLN 21 -17.713 2.551 -2.460 182 HE22 GLN 21 HE22 GLN 21 -18.851 1.641 -1.462 183 H ALA 22 H ALA 22 -12.370 2.357 0.080 184 HA ALA 22 HA ALA 22 -11.136 3.804 2.246 185 HB1 ALA 22 HB1 ALA 22 -12.892 2.472 3.419 186 HB2 ALA 22 HB2 ALA 22 -12.229 0.989 2.698 187 HB3 ALA 22 HB3 ALA 22 -11.262 1.956 3.848 188 HA PRO 23 HA PRO 23 -7.900 1.837 -0.116 189 HB2 PRO 23 HB2 PRO 23 -5.710 2.949 0.992 190 HB3 PRO 23 HB3 PRO 23 -6.931 3.848 0.012 191 HG2 PRO 23 HG2 PRO 23 -6.796 3.672 3.032 192 HG3 PRO 23 HG3 PRO 23 -6.893 5.139 2.016 193 HD2 PRO 23 HD2 PRO 23 -9.111 3.939 3.118 194 HD3 PRO 23 HD3 PRO 23 -9.150 4.756 1.529 195 H VAL 24 H VAL 24 -7.813 -0.261 0.091 196 HA VAL 24 HA VAL 24 -6.737 -1.562 2.540 197 HB VAL 24 HB VAL 24 -7.938 -3.518 1.989 198 HG11 VAL 24 HG11 VAL 24 -9.251 -1.417 2.827 199 HG12 VAL 24 HG12 VAL 24 -9.977 -1.406 1.232 200 HG13 VAL 24 HG13 VAL 24 -10.154 -2.839 2.266 201 HG21 VAL 24 HG21 VAL 24 -8.783 -2.228 -0.646 202 HG22 VAL 24 HG22 VAL 24 -7.685 -3.608 -0.465 203 HG23 VAL 24 HG23 VAL 24 -9.371 -3.776 0.024 204 H HIS 25 H HIS 25 -5.097 -0.355 0.183 205 HA HIS 25 HA HIS 25 -3.251 -2.621 -0.039 206 HB2 HIS 25 HB2 HIS 25 -5.156 -2.580 -2.005 207 HB3 HIS 25 HB3 HIS 25 -4.001 -1.451 -2.692 208 HD1 HIS 25 HD1 HIS 25 -1.449 -2.530 -3.236 209 HD2 HIS 25 HD2 HIS 25 -4.735 -5.059 -2.382 210 HE1 HIS 25 HE1 HIS 25 -0.891 -4.834 -4.230 211 HE2 HIS 25 HE2 HIS 25 -2.872 -6.394 -3.639 212 H PHE 26 H PHE 26 -1.165 -1.865 -0.237 213 HA PHE 26 HA PHE 26 -0.696 1.025 -0.656 214 HB2 PHE 26 HB2 PHE 26 0.580 -0.254 1.070 215 HB3 PHE 26 HB3 PHE 26 1.224 -1.292 -0.191 216 HD1 PHE 26 HD1 PHE 26 0.883 2.482 0.204 217 HD2 PHE 26 HD2 PHE 26 3.536 -0.886 -0.374 218 HE1 PHE 26 HE1 PHE 26 2.800 4.026 -0.063 219 HE2 PHE 26 HE2 PHE 26 5.431 0.670 -0.670 220 HZ PHE 26 HZ PHE 26 5.069 3.114 -0.532 221 H VAL 27 H VAL 27 0.490 1.871 -2.403 222 HA VAL 27 HA VAL 27 1.077 0.015 -4.701 223 HB VAL 27 HB VAL 27 0.006 2.833 -4.918 224 HG11 VAL 27 HG11 VAL 27 -0.034 2.390 -7.367 225 HG12 VAL 27 HG12 VAL 27 1.604 2.446 -6.707 226 HG13 VAL 27 HG13 VAL 27 0.855 0.877 -7.087 227 HG21 VAL 27 HG21 VAL 27 -1.236 0.212 -5.825 228 HG22 VAL 27 HG22 VAL 27 -1.747 1.131 -4.399 229 HG23 VAL 27 HG23 VAL 27 -1.924 1.845 -6.001 230 H GLY 28 H GLY 28 2.008 3.287 -3.356 231 HA2 GLY 28 HA2 GLY 28 4.804 2.746 -3.525 232 HA3 GLY 28 HA3 GLY 28 4.286 3.544 -5.014 233 H VAL 29 H VAL 29 5.963 5.031 -4.116 234 HA VAL 29 HA VAL 29 4.791 7.106 -2.299 235 HB VAL 29 HB VAL 29 7.773 6.589 -2.402 236 HG11 VAL 29 HG11 VAL 29 7.701 7.734 -0.263 237 HG12 VAL 29 HG12 VAL 29 6.885 8.702 -1.502 238 HG13 VAL 29 HG13 VAL 29 5.918 7.804 -0.326 239 HG21 VAL 29 HG21 VAL 29 7.542 5.349 -0.255 240 HG22 VAL 29 HG22 VAL 29 5.778 5.324 -0.485 241 HG23 VAL 29 HG23 VAL 29 6.855 4.448 -1.605 242 H GLY 30 H GLY 30 4.866 9.191 -3.038 243 HA2 GLY 30 HA2 GLY 30 5.122 10.945 -4.477 244 HA3 GLY 30 HA3 GLY 30 6.656 10.237 -4.934 245 H SER 31 H SER 31 4.440 7.980 -5.761 246 HA SER 31 HA SER 31 3.578 8.770 -8.419 247 HB2 SER 31 HB2 SER 31 5.933 6.865 -8.023 248 HB3 SER 31 HB3 SER 31 4.980 6.965 -9.512 249 HG SER 31 HG SER 31 6.887 8.229 -9.616 250 H CYS 32 H CYS 32 2.487 6.913 -9.479 251 HA CYS 32 HA CYS 32 1.708 4.661 -7.676 252 HB2 CYS 32 HB2 CYS 32 0.311 5.851 -10.094 253 HB3 CYS 32 HB3 CYS 32 -0.189 4.386 -9.263 254 H GLY 33 H GLY 33 2.740 2.822 -8.147 255 HA2 GLY 33 HA2 GLY 33 4.312 2.306 -10.513 256 HA3 GLY 33 HA3 GLY 33 3.804 1.115 -9.309 257 H SER 34 H SER 34 3.873 1.039 -12.305 258 HA SER 34 HA SER 34 1.198 -0.146 -12.739 259 HB2 SER 34 HB2 SER 34 1.114 2.250 -13.514 260 HB3 SER 34 HB3 SER 34 2.385 1.868 -14.689 261 HG SER 34 HG SER 34 0.239 1.692 -15.557 262 H GLY 35 H GLY 35 1.129 -1.492 -14.662 263 HA2 GLY 35 HA2 GLY 35 3.002 -2.464 -16.369 264 HA3 GLY 35 HA3 GLY 35 3.552 -3.155 -14.836 265 H GLY 36 H GLY 36 3.126 -5.079 -16.292 266 HA2 GLY 36 HA2 GLY 36 0.459 -6.279 -15.668 267 HA3 GLY 36 HA3 GLY 36 1.050 -6.299 -17.330 268 H SER 37 H SER 37 1.551 -7.510 -14.066 269 HA SER 37 HA SER 37 3.129 -9.821 -15.086 270 HB2 SER 37 HB2 SER 37 4.674 -9.650 -13.216 271 HB3 SER 37 HB3 SER 37 4.691 -8.153 -14.157 272 HG SER 37 HG SER 37 4.576 -7.625 -11.981 273 H GLY 38 H GLY 38 3.340 -11.547 -13.397 274 HA2 GLY 38 HA2 GLY 38 0.658 -12.163 -12.256 275 HA3 GLY 38 HA3 GLY 38 1.889 -13.313 -12.760 276 H ILE 39 H ILE 39 2.998 -10.690 -10.814 277 HA ILE 39 HA ILE 39 4.142 -12.427 -8.855 278 HB ILE 39 HB ILE 39 3.746 -9.423 -8.743 279 HG12 ILE 39 HG12 ILE 39 6.158 -11.050 -9.697 280 HG13 ILE 39 HG13 ILE 39 5.017 -10.242 -10.765 281 HG21 ILE 39 HG21 ILE 39 5.664 -11.206 -7.172 282 HG22 ILE 39 HG22 ILE 39 5.655 -9.433 -7.140 283 HG23 ILE 39 HG23 ILE 39 4.277 -10.295 -6.509 284 HD11 ILE 39 HD11 ILE 39 6.956 -8.887 -8.868 285 HD12 ILE 39 HD12 ILE 39 6.930 -8.847 -10.634 286 HD13 ILE 39 HD13 ILE 39 5.641 -8.038 -9.720 287 H PHE 40 H PHE 40 3.566 -13.017 -6.939 288 HA PHE 40 HA PHE 40 1.005 -12.133 -5.660 289 HB2 PHE 40 HB2 PHE 40 0.271 -14.361 -5.411 290 HB3 PHE 40 HB3 PHE 40 0.738 -14.169 -7.092 291 HD1 PHE 40 HD1 PHE 40 2.858 -15.249 -7.946 292 HD2 PHE 40 HD2 PHE 40 1.403 -15.925 -3.939 293 HE1 PHE 40 HE1 PHE 40 4.366 -17.211 -7.721 294 HE2 PHE 40 HE2 PHE 40 2.903 -17.888 -3.724 295 HZ PHE 40 HZ PHE 40 4.393 -18.530 -5.612 296 H LEU 41 H LEU 41 4.162 -12.085 -5.117 297 HA LEU 41 HA LEU 41 4.484 -13.446 -2.558 298 HB2 LEU 41 HB2 LEU 41 6.159 -11.542 -4.246 299 HB3 LEU 41 HB3 LEU 41 6.648 -11.970 -2.626 300 HG LEU 41 HG LEU 41 7.836 -13.263 -4.276 301 HD11 LEU 41 HD11 LEU 41 7.405 -14.220 -2.031 302 HD12 LEU 41 HD12 LEU 41 7.610 -15.451 -3.286 303 HD13 LEU 41 HD13 LEU 41 5.986 -15.075 -2.681 304 HD21 LEU 41 HD21 LEU 41 6.094 -13.455 -6.032 305 HD22 LEU 41 HD22 LEU 41 5.228 -14.641 -5.016 306 HD23 LEU 41 HD23 LEU 41 6.852 -15.000 -5.624 307 H GLU 42 H GLU 42 3.154 -10.452 -3.483 308 HA GLU 42 HA GLU 42 3.735 -8.881 -1.135 309 HB2 GLU 42 HB2 GLU 42 2.503 -8.481 -3.646 310 HB3 GLU 42 HB3 GLU 42 1.196 -8.224 -2.495 311 HG2 GLU 42 HG2 GLU 42 2.491 -6.529 -1.336 312 HG3 GLU 42 HG3 GLU 42 3.944 -6.943 -2.279 313 H THR 43 H THR 43 2.139 -8.100 0.359 314 HA THR 43 HA THR 43 0.716 -10.157 1.800 315 HB THR 43 HB THR 43 0.424 -7.139 2.036 316 HG1 THR 43 HG1 THR 43 2.033 -7.353 3.603 317 HG21 THR 43 HG21 THR 43 -0.091 -9.383 4.043 318 HG22 THR 43 HG22 THR 43 -1.319 -8.315 3.321 319 HG23 THR 43 HG23 THR 43 -0.108 -7.648 4.423 320 H SER 44 H SER 44 -0.251 -7.821 -0.592 321 HA SER 44 HA SER 44 -2.213 -6.975 -1.313 322 HB2 SER 44 HB2 SER 44 -1.591 -9.055 -2.688 323 HB3 SER 44 HB3 SER 44 -3.014 -9.811 -1.942 324 HG SER 44 HG SER 44 -3.699 -8.761 -3.799 325 H LEU 45 H LEU 45 -2.807 -6.317 0.805 326 HA LEU 45 HA LEU 45 -4.653 -7.570 2.512 327 HB2 LEU 45 HB2 LEU 45 -3.965 -4.657 2.006 328 HB3 LEU 45 HB3 LEU 45 -5.173 -5.106 3.184 329 HG LEU 45 HG LEU 45 -3.141 -6.722 4.016 330 HD11 LEU 45 HD11 LEU 45 -1.549 -5.914 2.274 331 HD12 LEU 45 HD12 LEU 45 -1.020 -5.452 3.897 332 HD13 LEU 45 HD13 LEU 45 -1.781 -4.246 2.836 333 HD21 LEU 45 HD21 LEU 45 -2.591 -4.940 5.654 334 HD22 LEU 45 HD22 LEU 45 -4.342 -5.049 5.398 335 HD23 LEU 45 HD23 LEU 45 -3.419 -3.757 4.612 336 H SER 46 H SER 46 -5.413 -6.493 -0.569 337 HA SER 46 HA SER 46 -8.194 -5.775 -0.361 338 HB2 SER 46 HB2 SER 46 -8.397 -6.460 -2.684 339 HB3 SER 46 HB3 SER 46 -6.960 -5.459 -2.451 340 HG SER 46 HG SER 46 -5.674 -7.302 -2.679 341 H ALA 47 H ALA 47 -6.651 -8.902 -0.594 342 HA ALA 47 HA ALA 47 -9.257 -10.298 -0.082 343 HB1 ALA 47 HB1 ALA 47 -8.326 -10.774 -2.280 344 HB2 ALA 47 HB2 ALA 47 -6.795 -11.304 -1.544 345 HB3 ALA 47 HB3 ALA 47 -8.296 -12.213 -1.240 346 H GLY 48 H GLY 48 -9.448 -10.747 1.946 347 HA2 GLY 48 HA2 GLY 48 -9.064 -12.078 3.870 348 HA3 GLY 48 HA3 GLY 48 -7.374 -12.266 3.432 349 H SER 49 H SER 49 -8.097 -8.946 3.225 350 HA SER 49 HA SER 49 -7.840 -8.387 6.107 351 HB2 SER 49 HB2 SER 49 -5.568 -8.292 4.483 352 HB3 SER 49 HB3 SER 49 -6.127 -6.603 4.538 353 HG SER 49 HG SER 49 -4.684 -7.425 6.302 354 H ASP 50 H ASP 50 -7.505 -5.591 5.857 355 HA ASP 50 HA ASP 50 -9.625 -4.514 4.228 356 HB2 ASP 50 HB2 ASP 50 -10.585 -5.677 6.469 357 HB3 ASP 50 HB3 ASP 50 -10.052 -4.173 7.203 358 H TRP 51 H TRP 51 -9.908 -2.219 4.838 359 HA TRP 51 HA TRP 51 -7.551 -0.597 5.010 360 HB2 TRP 51 HB2 TRP 51 -9.202 0.611 4.104 361 HB3 TRP 51 HB3 TRP 51 -10.474 -0.203 4.977 362 HD1 TRP 51 HD1 TRP 51 -11.517 1.014 6.993 363 HE1 TRP 51 HE1 TRP 51 -11.142 3.300 8.129 364 HE3 TRP 51 HE3 TRP 51 -7.037 2.259 4.877 365 HZ2 TRP 51 HZ2 TRP 51 -9.152 5.370 8.129 366 HZ3 TRP 51 HZ3 TRP 51 -5.908 4.394 5.466 367 HH2 TRP 51 HH2 TRP 51 -6.969 5.971 7.056 368 H LEU 52 H LEU 52 -9.738 -1.773 7.514 369 HA LEU 52 HA LEU 52 -8.885 -0.197 9.693 370 HB2 LEU 52 HB2 LEU 52 -10.827 -2.078 9.263 371 HB3 LEU 52 HB3 LEU 52 -9.712 -3.033 10.211 372 HG LEU 52 HG LEU 52 -11.436 -2.076 11.586 373 HD11 LEU 52 HD11 LEU 52 -8.888 -0.534 12.198 374 HD12 LEU 52 HD12 LEU 52 -9.170 -2.245 12.602 375 HD13 LEU 52 HD13 LEU 52 -10.177 -0.981 13.329 376 HD21 LEU 52 HD21 LEU 52 -11.830 0.277 11.909 377 HD22 LEU 52 HD22 LEU 52 -11.990 -0.111 10.189 378 HD23 LEU 52 HD23 LEU 52 -10.532 0.715 10.785 379 H THR 53 H THR 53 -7.629 -3.353 8.569 380 HA THR 53 HA THR 53 -5.403 -3.367 10.487 381 HB THR 53 HB THR 53 -4.695 -5.367 9.041 382 HG1 THR 53 HG1 THR 53 -6.175 -6.154 7.656 383 HG21 THR 53 HG21 THR 53 -7.425 -5.450 10.405 384 HG22 THR 53 HG22 THR 53 -5.851 -5.616 11.217 385 HG23 THR 53 HG23 THR 53 -6.382 -6.846 10.055 386 H PHE 54 H PHE 54 -5.846 -2.449 7.065 387 HA PHE 54 HA PHE 54 -3.194 -2.292 6.201 388 HB2 PHE 54 HB2 PHE 54 -5.079 -1.912 4.705 389 HB3 PHE 54 HB3 PHE 54 -5.560 -0.495 5.627 390 HD1 PHE 54 HD1 PHE 54 -2.897 -1.788 3.378 391 HD2 PHE 54 HD2 PHE 54 -4.703 1.664 5.213 392 HE1 PHE 54 HE1 PHE 54 -1.456 -0.298 2.020 393 HE2 PHE 54 HE2 PHE 54 -3.271 3.161 3.819 394 HZ PHE 54 HZ PHE 54 -1.624 2.173 2.252 395 H GLN 55 H GLN 55 -4.957 0.186 8.021 396 HA GLN 55 HA GLN 55 -2.938 2.172 8.242 397 HB2 GLN 55 HB2 GLN 55 -5.080 1.258 10.196 398 HB3 GLN 55 HB3 GLN 55 -4.079 2.688 10.466 399 HG2 GLN 55 HG2 GLN 55 -5.047 3.887 8.692 400 HG3 GLN 55 HG3 GLN 55 -5.640 2.430 7.884 401 HE21 GLN 55 HE21 GLN 55 -7.539 1.413 8.582 402 HE22 GLN 55 HE22 GLN 55 -8.625 2.250 9.682 403 H LYS 56 H LYS 56 -3.691 -0.354 10.648 404 HA LYS 56 HA LYS 56 -1.274 -0.017 12.174 405 HB2 LYS 56 HB2 LYS 56 -2.984 -2.530 11.950 406 HB3 LYS 56 HB3 LYS 56 -1.797 -2.193 13.207 407 HG2 LYS 56 HG2 LYS 56 -4.429 -0.734 12.747 408 HG3 LYS 56 HG3 LYS 56 -3.991 -1.794 14.085 409 HD2 LYS 56 HD2 LYS 56 -2.158 -0.089 14.689 410 HD3 LYS 56 HD3 LYS 56 -2.871 0.963 13.459 411 HE2 LYS 56 HE2 LYS 56 -3.819 1.719 15.461 412 HE3 LYS 56 HE3 LYS 56 -5.090 0.760 14.701 413 HZ1 LYS 56 HZ1 LYS 56 -3.295 -0.172 16.889 414 HZ2 LYS 56 HZ2 LYS 56 -4.471 -1.082 16.208 415 HZ3 LYS 56 HZ3 LYS 56 -4.857 0.246 17.070 416 H LYS 57 H LYS 57 -1.636 -1.699 9.206 417 HA LYS 57 HA LYS 57 0.753 -3.313 9.365 418 HB2 LYS 57 HB2 LYS 57 -1.418 -3.297 7.692 419 HB3 LYS 57 HB3 LYS 57 -0.279 -2.462 6.682 420 HG2 LYS 57 HG2 LYS 57 0.052 -4.713 6.100 421 HG3 LYS 57 HG3 LYS 57 1.353 -4.458 7.278 422 HD2 LYS 57 HD2 LYS 57 -0.262 -5.342 9.058 423 HD3 LYS 57 HD3 LYS 57 -1.390 -5.711 7.741 424 HE2 LYS 57 HE2 LYS 57 0.344 -7.200 6.712 425 HE3 LYS 57 HE3 LYS 57 1.433 -6.837 8.057 426 HZ1 LYS 57 HZ1 LYS 57 -0.224 -7.833 9.563 427 HZ2 LYS 57 HZ2 LYS 57 0.258 -8.917 8.445 428 HZ3 LYS 57 HZ3 LYS 57 -1.201 -8.200 8.304 429 H HIS 58 H HIS 58 0.249 -0.274 7.552 430 HA HIS 58 HA HIS 58 3.226 0.220 7.699 431 HB2 HIS 58 HB2 HIS 58 1.597 1.052 5.306 432 HB3 HIS 58 HB3 HIS 58 3.340 0.845 5.493 433 HD1 HIS 58 HD1 HIS 58 4.251 -1.730 5.409 434 HD2 HIS 58 HD2 HIS 58 0.124 -1.108 4.678 435 HE1 HIS 58 HE1 HIS 58 3.294 -3.960 4.545 436 HE2 HIS 58 HE2 HIS 58 0.829 -3.533 3.955 437 H ILE 59 H ILE 59 0.681 1.599 9.025 438 HA ILE 59 HA ILE 59 1.602 4.408 8.480 439 HB ILE 59 HB ILE 59 -1.313 3.649 8.849 440 HG12 ILE 59 HG12 ILE 59 0.379 3.949 6.357 441 HG13 ILE 59 HG13 ILE 59 -0.771 2.685 6.760 442 HG21 ILE 59 HG21 ILE 59 -1.777 5.935 8.159 443 HG22 ILE 59 HG22 ILE 59 -0.699 5.984 9.523 444 HG23 ILE 59 HG23 ILE 59 -0.049 6.236 7.885 445 HD11 ILE 59 HD11 ILE 59 -2.637 4.282 6.373 446 HD12 ILE 59 HD12 ILE 59 -1.444 5.534 5.917 447 HD13 ILE 59 HD13 ILE 59 -1.586 4.071 4.949 448 H THR 60 H THR 60 1.540 5.839 10.146 449 HA THR 60 HA THR 60 0.547 4.942 12.796 450 HB THR 60 HB THR 60 2.856 4.163 12.800 451 HG1 THR 60 HG1 THR 60 3.436 5.340 14.704 452 HG21 THR 60 HG21 THR 60 3.688 7.090 12.527 453 HG22 THR 60 HG22 THR 60 3.914 5.837 11.287 454 HG23 THR 60 HG23 THR 60 4.748 5.698 12.840 455 H ASN 61 H ASN 61 0.290 6.536 14.351 456 HA ASN 61 HA ASN 61 -0.033 9.337 13.401 457 HB2 ASN 61 HB2 ASN 61 -1.111 7.756 15.782 458 HB3 ASN 61 HB3 ASN 61 -1.260 9.497 15.626 459 HD21 ASN 61 HD21 ASN 61 -2.504 6.419 14.431 460 HD22 ASN 61 HD22 ASN 61 -3.739 7.174 13.434 461 H THR 62 H THR 62 2.379 7.480 14.742 462 HA THR 62 HA THR 62 3.937 9.806 15.485 463 HB THR 62 HB THR 62 2.843 9.586 17.592 464 HG1 THR 62 HG1 THR 62 4.670 9.254 18.868 465 HG21 THR 62 HG21 THR 62 2.898 7.687 19.051 466 HG22 THR 62 HG22 THR 62 3.839 6.728 17.901 467 HG23 THR 62 HG23 THR 62 2.158 7.171 17.528 468 H ARG 63 H ARG 63 5.793 9.402 14.391 469 HA ARG 63 HA ARG 63 6.754 6.701 13.847 470 HB2 ARG 63 HB2 ARG 63 7.250 8.597 12.310 471 HB3 ARG 63 HB3 ARG 63 8.258 9.327 13.579 472 HG2 ARG 63 HG2 ARG 63 9.630 7.147 13.566 473 HG3 ARG 63 HG3 ARG 63 8.622 6.618 12.215 474 HD2 ARG 63 HD2 ARG 63 10.555 7.424 11.227 475 HD3 ARG 63 HD3 ARG 63 9.397 8.729 10.981 476 HE ARG 63 HE ARG 63 11.750 8.658 12.824 477 HH11 ARG 63 HH11 ARG 63 9.111 10.673 11.718 478 HH12 ARG 63 HH12 ARG 63 9.847 12.119 12.352 479 HH21 ARG 63 HH21 ARG 63 12.625 10.512 13.586 480 HH22 ARG 63 HH22 ARG 63 11.789 12.019 13.381 481 H ASP 64 H ASP 64 7.122 5.557 15.603 482 HA ASP 64 HA ASP 64 9.173 6.471 17.577 483 HB2 ASP 64 HB2 ASP 64 6.822 5.922 18.338 484 HB3 ASP 64 HB3 ASP 64 7.111 4.254 17.846 485 H VAL 65 H VAL 65 9.298 4.883 14.802 486 HA VAL 65 HA VAL 65 10.636 2.389 15.592 487 HB VAL 65 HB VAL 65 10.095 3.682 12.890 488 HG11 VAL 65 HG11 VAL 65 11.404 1.014 13.556 489 HG12 VAL 65 HG12 VAL 65 10.731 1.415 11.974 490 HG13 VAL 65 HG13 VAL 65 12.081 2.353 12.580 491 HG21 VAL 65 HG21 VAL 65 8.907 1.257 14.324 492 HG22 VAL 65 HG22 VAL 65 8.090 2.811 14.051 493 HG23 VAL 65 HG23 VAL 65 8.499 1.783 12.681 494 H ASP 66 H ASP 66 12.736 1.915 15.503 495 HA ASP 66 HA ASP 66 14.745 3.950 14.619 496 HB2 ASP 66 HB2 ASP 66 14.410 3.770 17.144 497 HB3 ASP 66 HB3 ASP 66 15.048 2.129 17.024 498 H CYS 67 H CYS 67 13.482 1.284 13.618 499 HA CYS 67 HA CYS 67 13.982 -0.674 12.600 500 HB2 CYS 67 HB2 CYS 67 16.395 0.839 11.611 501 HB3 CYS 67 HB3 CYS 67 15.515 -0.463 10.801 502 H ASP 68 H ASP 68 14.539 -0.977 15.104 503 HA ASP 68 HA ASP 68 16.484 -3.100 15.281 504 HB2 ASP 68 HB2 ASP 68 17.238 -0.379 16.185 505 HB3 ASP 68 HB3 ASP 68 17.364 -1.563 17.470 506 H ASN 69 H ASN 69 13.980 -1.131 16.806 507 HA ASN 69 HA ASN 69 13.590 -3.160 18.918 508 HB2 ASN 69 HB2 ASN 69 12.219 -1.610 20.055 509 HB3 ASN 69 HB3 ASN 69 13.771 -0.873 19.673 510 HD21 ASN 69 HD21 ASN 69 13.811 0.902 18.366 511 HD22 ASN 69 HD22 ASN 69 12.325 1.722 17.864 512 H ILE 70 H ILE 70 12.460 -2.594 15.806 513 HA ILE 70 HA ILE 70 9.674 -2.969 16.022 514 HB ILE 70 HB ILE 70 9.673 -3.458 13.668 515 HG12 ILE 70 HG12 ILE 70 12.647 -3.963 14.001 516 HG13 ILE 70 HG13 ILE 70 11.410 -4.977 13.234 517 HG21 ILE 70 HG21 ILE 70 10.544 -1.347 12.951 518 HG22 ILE 70 HG22 ILE 70 9.986 -1.156 14.611 519 HG23 ILE 70 HG23 ILE 70 11.727 -1.306 14.280 520 HD11 ILE 70 HD11 ILE 70 12.573 -2.401 12.148 521 HD12 ILE 70 HD12 ILE 70 12.820 -4.044 11.537 522 HD13 ILE 70 HD13 ILE 70 11.216 -3.292 11.403 523 H MET 71 H MET 71 12.035 -5.220 16.667 524 HA MET 71 HA MET 71 10.646 -7.710 16.165 525 HB2 MET 71 HB2 MET 71 13.030 -7.507 16.776 526 HB3 MET 71 HB3 MET 71 12.579 -7.089 18.430 527 HG2 MET 71 HG2 MET 71 11.520 -9.627 17.168 528 HG3 MET 71 HG3 MET 71 13.201 -9.575 17.667 529 HE1 MET 71 HE1 MET 71 14.090 -9.972 19.994 530 HE2 MET 71 HE2 MET 71 13.634 -8.278 20.304 531 HE3 MET 71 HE3 MET 71 13.206 -9.545 21.474 532 H SER 72 H SER 72 10.207 -5.240 18.622 533 HA SER 72 HA SER 72 8.313 -6.787 20.251 534 HB2 SER 72 HB2 SER 72 9.985 -5.025 21.068 535 HB3 SER 72 HB3 SER 72 8.898 -3.810 20.377 536 HG SER 72 HG SER 72 7.225 -4.756 21.726 537 H THR 73 H THR 73 7.892 -5.511 17.243 538 HA THR 73 HA THR 73 5.110 -4.488 17.736 539 HB THR 73 HB THR 73 5.300 -2.997 15.916 540 HG1 THR 73 HG1 THR 73 7.764 -4.284 15.388 541 HG21 THR 73 HG21 THR 73 7.926 -2.737 17.437 542 HG22 THR 73 HG22 THR 73 6.347 -2.102 17.951 543 HG23 THR 73 HG23 THR 73 7.118 -1.485 16.476 544 H ASN 74 H ASN 74 3.918 -4.516 15.418 545 HA ASN 74 HA ASN 74 3.541 -7.252 14.605 546 HB2 ASN 74 HB2 ASN 74 2.758 -4.697 13.125 547 HB3 ASN 74 HB3 ASN 74 2.084 -6.302 12.882 548 HD21 ASN 74 HD21 ASN 74 1.712 -3.368 14.608 549 HD22 ASN 74 HD22 ASN 74 0.526 -3.983 15.754 550 H LEU 75 H LEU 75 5.944 -4.961 13.673 551 HA LEU 75 HA LEU 75 6.368 -6.014 10.969 552 HB2 LEU 75 HB2 LEU 75 7.703 -3.779 12.545 553 HB3 LEU 75 HB3 LEU 75 7.964 -4.121 10.861 554 HG LEU 75 HG LEU 75 6.582 -2.353 10.730 555 HD11 LEU 75 HD11 LEU 75 5.676 -4.200 9.365 556 HD12 LEU 75 HD12 LEU 75 4.456 -3.020 9.862 557 HD13 LEU 75 HD13 LEU 75 4.531 -4.583 10.677 558 HD21 LEU 75 HD21 LEU 75 4.710 -3.352 12.891 559 HD22 LEU 75 HD22 LEU 75 4.627 -1.821 12.014 560 HD23 LEU 75 HD23 LEU 75 5.986 -2.134 13.105 561 H PHE 76 H PHE 76 7.213 -7.478 13.599 562 HA PHE 76 HA PHE 76 10.017 -7.651 13.798 563 HB2 PHE 76 HB2 PHE 76 9.612 -9.455 15.249 564 HB3 PHE 76 HB3 PHE 76 8.314 -8.297 15.509 565 HD1 PHE 76 HD1 PHE 76 5.999 -8.825 14.428 566 HD2 PHE 76 HD2 PHE 76 9.182 -11.711 14.705 567 HE1 PHE 76 HE1 PHE 76 4.360 -10.650 14.101 568 HE2 PHE 76 HE2 PHE 76 7.536 -13.548 14.387 569 HZ PHE 76 HZ PHE 76 5.122 -13.020 14.085 570 H HIS 77 H HIS 77 8.140 -8.827 11.315 571 HA HIS 77 HA HIS 77 9.078 -11.435 10.827 572 HB2 HIS 77 HB2 HIS 77 7.034 -10.250 9.913 573 HB3 HIS 77 HB3 HIS 77 8.081 -9.426 8.763 574 HD1 HIS 77 HD1 HIS 77 6.974 -13.033 9.687 575 HD2 HIS 77 HD2 HIS 77 8.608 -10.728 6.541 576 HE1 HIS 77 HE1 HIS 77 7.061 -14.572 7.630 577 HE2 HIS 77 HE2 HIS 77 8.037 -13.165 5.702 578 H CYS 78 H CYS 78 10.947 -8.716 10.609 579 HA CYS 78 HA CYS 78 12.563 -7.821 9.239 580 HB2 CYS 78 HB2 CYS 78 13.820 -9.175 10.753 581 HB3 CYS 78 HB3 CYS 78 13.715 -10.571 9.678 582 H LYS 79 H LYS 79 10.705 -7.934 7.665 583 HA LYS 79 HA LYS 79 11.334 -9.073 5.035 584 HB2 LYS 79 HB2 LYS 79 9.668 -7.278 4.253 585 HB3 LYS 79 HB3 LYS 79 9.099 -8.611 5.231 586 HG2 LYS 79 HG2 LYS 79 7.992 -6.635 5.931 587 HG3 LYS 79 HG3 LYS 79 9.014 -7.196 7.235 588 HD2 LYS 79 HD2 LYS 79 10.344 -5.224 5.474 589 HD3 LYS 79 HD3 LYS 79 8.852 -4.608 6.144 590 HE2 LYS 79 HE2 LYS 79 11.155 -5.743 7.808 591 HE3 LYS 79 HE3 LYS 79 10.931 -4.042 7.441 592 HZ1 LYS 79 HZ1 LYS 79 9.008 -5.702 8.992 593 HZ2 LYS 79 HZ2 LYS 79 8.760 -4.133 8.584 594 HZ3 LYS 79 HZ3 LYS 79 9.986 -4.558 9.594 595 H ASP 80 H ASP 80 11.923 -7.754 3.197 596 HA ASP 80 HA ASP 80 14.494 -6.650 3.557 597 HB2 ASP 80 HB2 ASP 80 12.613 -6.420 1.169 598 HB3 ASP 80 HB3 ASP 80 14.336 -6.063 1.135 599 H LYS 81 H LYS 81 11.446 -4.929 3.194 600 HA LYS 81 HA LYS 81 12.479 -2.694 4.629 601 HB2 LYS 81 HB2 LYS 81 11.824 -0.915 2.923 602 HB3 LYS 81 HB3 LYS 81 13.320 -1.757 2.598 603 HG2 LYS 81 HG2 LYS 81 12.511 -2.947 0.810 604 HG3 LYS 81 HG3 LYS 81 10.814 -2.804 1.286 605 HD2 LYS 81 HD2 LYS 81 12.465 -0.413 0.375 606 HD3 LYS 81 HD3 LYS 81 11.530 -1.424 -0.733 607 HE2 LYS 81 HE2 LYS 81 9.453 -0.937 0.508 608 HE3 LYS 81 HE3 LYS 81 10.350 0.044 1.673 609 HZ1 LYS 81 HZ1 LYS 81 10.928 1.556 -0.160 610 HZ2 LYS 81 HZ2 LYS 81 9.310 1.442 0.021 611 HZ3 LYS 81 HZ3 LYS 81 10.053 0.661 -1.216 612 H ASN 82 H ASN 82 10.904 -1.205 5.292 613 HA ASN 82 HA ASN 82 8.114 -1.707 4.386 614 HB2 ASN 82 HB2 ASN 82 8.579 -2.448 6.845 615 HB3 ASN 82 HB3 ASN 82 8.705 -0.726 7.203 616 HD21 ASN 82 HD21 ASN 82 6.854 -1.446 8.660 617 HD22 ASN 82 HD22 ASN 82 5.242 -1.522 7.980 618 H THR 83 H THR 83 6.868 0.181 4.177 619 HA THR 83 HA THR 83 8.369 2.779 4.110 620 HB THR 83 HB THR 83 5.912 1.929 2.504 621 HG1 THR 83 HG1 THR 83 7.682 0.894 1.723 622 HG21 THR 83 HG21 THR 83 6.167 4.417 3.080 623 HG22 THR 83 HG22 THR 83 6.079 3.995 1.369 624 HG23 THR 83 HG23 THR 83 7.640 4.387 2.110 625 H PHE 84 H PHE 84 7.849 3.573 6.184 626 HA PHE 84 HA PHE 84 5.088 3.317 7.176 627 HB2 PHE 84 HB2 PHE 84 7.464 4.693 8.395 628 HB3 PHE 84 HB3 PHE 84 5.878 4.582 9.133 629 HD1 PHE 84 HD2 PHE 84 4.905 1.994 9.097 630 HD2 PHE 84 HD1 PHE 84 9.052 3.235 9.214 631 HE1 PHE 84 HE2 PHE 84 5.502 -0.079 10.334 632 HE2 PHE 84 HE1 PHE 84 9.667 1.022 10.180 633 HZ PHE 84 HZ PHE 84 7.895 -0.574 10.869 634 H ILE 85 H ILE 85 3.579 4.801 7.148 635 HA ILE 85 HA ILE 85 4.098 7.522 6.004 636 HB ILE 85 HB ILE 85 1.614 5.786 6.146 637 HG12 ILE 85 HG12 ILE 85 3.019 6.762 3.624 638 HG13 ILE 85 HG13 ILE 85 3.439 5.231 4.389 639 HG21 ILE 85 HG21 ILE 85 1.899 8.562 4.914 640 HG22 ILE 85 HG22 ILE 85 0.452 7.520 4.848 641 HG23 ILE 85 HG23 ILE 85 0.995 8.161 6.388 642 HD11 ILE 85 HD11 ILE 85 0.691 5.925 3.303 643 HD12 ILE 85 HD12 ILE 85 1.870 4.788 2.625 644 HD13 ILE 85 HD13 ILE 85 1.112 4.444 4.194 645 H TYR 86 H TYR 86 4.426 8.933 7.677 646 HA TYR 86 HA TYR 86 2.913 8.642 10.201 647 HB2 TYR 86 HB2 TYR 86 5.223 9.248 10.369 648 HB3 TYR 86 HB3 TYR 86 4.969 10.612 9.292 649 HD1 TYR 86 HD2 TYR 86 2.297 10.143 11.801 650 HD2 TYR 86 HD1 TYR 86 6.187 11.892 11.077 651 HE1 TYR 86 HE2 TYR 86 1.935 11.727 13.643 652 HE2 TYR 86 HE1 TYR 86 5.826 13.445 12.989 653 HH TYR 86 HH TYR 86 2.794 13.430 14.897 654 H SER 87 H SER 87 0.796 8.824 9.494 655 HA SER 87 HA SER 87 -0.153 11.597 9.105 656 HB2 SER 87 HB2 SER 87 -0.961 9.349 7.204 657 HB3 SER 87 HB3 SER 87 -1.642 10.983 7.240 658 HG SER 87 HG SER 87 1.001 11.210 7.115 659 H ARG 88 H ARG 88 -2.434 11.840 9.423 660 HA ARG 88 HA ARG 88 -3.762 9.980 11.275 661 HB2 ARG 88 HB2 ARG 88 -4.414 12.657 9.966 662 HB3 ARG 88 HB3 ARG 88 -5.717 11.684 10.647 663 HG2 ARG 88 HG2 ARG 88 -4.483 11.521 12.796 664 HG3 ARG 88 HG3 ARG 88 -3.243 12.620 12.157 665 HD2 ARG 88 HD2 ARG 88 -4.701 14.466 12.184 666 HD3 ARG 88 HD3 ARG 88 -6.144 13.444 12.058 667 HE ARG 88 HE ARG 88 -4.804 12.930 14.547 668 HH11 ARG 88 HH11 ARG 88 -6.867 15.356 13.116 669 HH12 ARG 88 HH12 ARG 88 -7.611 15.761 14.639 670 HH21 ARG 88 HH21 ARG 88 -5.817 13.435 16.445 671 HH22 ARG 88 HH22 ARG 88 -7.019 14.688 16.479 672 HA PRO 89 HA PRO 89 -5.863 7.595 8.221 673 HB2 PRO 89 HB2 PRO 89 -8.388 7.203 9.252 674 HB3 PRO 89 HB3 PRO 89 -6.904 6.436 9.896 675 HG2 PRO 89 HG2 PRO 89 -8.296 8.938 10.895 676 HG3 PRO 89 HG3 PRO 89 -7.737 7.524 11.849 677 HD2 PRO 89 HD2 PRO 89 -6.241 9.768 11.663 678 HD3 PRO 89 HD3 PRO 89 -5.469 8.157 11.629 679 H GLU 90 H GLU 90 -7.262 10.722 9.013 680 HA GLU 90 HA GLU 90 -9.430 10.735 7.139 681 HB2 GLU 90 HB2 GLU 90 -7.921 12.943 8.563 682 HB3 GLU 90 HB3 GLU 90 -9.208 13.275 7.393 683 HG2 GLU 90 HG2 GLU 90 -10.788 11.933 8.727 684 HG3 GLU 90 HG3 GLU 90 -9.507 11.537 9.879 685 HA PRO 91 HA PRO 91 -6.700 12.890 3.884 686 HB2 PRO 91 HB2 PRO 91 -3.967 13.003 4.145 687 HB3 PRO 91 HB3 PRO 91 -5.065 14.254 4.795 688 HG2 PRO 91 HG2 PRO 91 -3.802 11.909 6.235 689 HG3 PRO 91 HG3 PRO 91 -3.889 13.618 6.772 690 HD2 PRO 91 HD2 PRO 91 -5.627 11.750 7.661 691 HD3 PRO 91 HD3 PRO 91 -6.171 13.409 7.354 692 H VAL 92 H VAL 92 -6.270 9.913 5.188 693 HA VAL 92 HA VAL 92 -4.941 8.690 2.786 694 HB VAL 92 HB VAL 92 -5.568 7.391 5.461 695 HG11 VAL 92 HG11 VAL 92 -3.929 5.703 4.716 696 HG12 VAL 92 HG12 VAL 92 -5.283 5.809 3.590 697 HG13 VAL 92 HG13 VAL 92 -3.729 6.559 3.174 698 HG21 VAL 92 HG21 VAL 92 -2.847 8.425 4.574 699 HG22 VAL 92 HG22 VAL 92 -3.869 9.247 5.760 700 HG23 VAL 92 HG23 VAL 92 -3.255 7.636 6.105 701 H LYS 93 H LYS 93 -7.749 8.148 4.955 702 HA LYS 93 HA LYS 93 -9.053 6.356 3.122 703 HB2 LYS 93 HB2 LYS 93 -9.439 6.883 5.753 704 HB3 LYS 93 HB3 LYS 93 -10.736 7.876 5.083 705 HG2 LYS 93 HG2 LYS 93 -11.161 5.629 3.640 706 HG3 LYS 93 HG3 LYS 93 -10.354 4.881 5.020 707 HD2 LYS 93 HD2 LYS 93 -12.911 6.564 5.106 708 HD3 LYS 93 HD3 LYS 93 -12.795 4.807 5.118 709 HE2 LYS 93 HE2 LYS 93 -13.139 5.202 7.320 710 HE3 LYS 93 HE3 LYS 93 -11.388 5.021 7.231 711 HZ1 LYS 93 HZ1 LYS 93 -11.194 7.447 7.333 712 HZ2 LYS 93 HZ2 LYS 93 -12.049 6.899 8.610 713 HZ3 LYS 93 HZ3 LYS 93 -12.827 7.614 7.368 714 H ALA 94 H ALA 94 -9.494 9.831 3.702 715 HA ALA 94 HA ALA 94 -11.832 10.049 2.013 716 HB1 ALA 94 HB1 ALA 94 -10.046 12.241 3.119 717 HB2 ALA 94 HB2 ALA 94 -11.722 12.396 2.559 718 HB3 ALA 94 HB3 ALA 94 -11.370 11.456 4.023 719 H ILE 95 H ILE 95 -8.594 9.779 1.109 720 HA ILE 95 HA ILE 95 -8.399 11.430 -1.177 721 HB ILE 95 HB ILE 95 -7.439 8.551 -0.950 722 HG12 ILE 95 HG12 ILE 95 -5.879 11.099 -0.300 723 HG13 ILE 95 HG13 ILE 95 -6.622 10.069 0.914 724 HG21 ILE 95 HG21 ILE 95 -7.383 9.525 -3.280 725 HG22 ILE 95 HG22 ILE 95 -6.382 10.852 -2.674 726 HG23 ILE 95 HG23 ILE 95 -5.790 9.176 -2.654 727 HD11 ILE 95 HD11 ILE 95 -4.290 9.521 0.777 728 HD12 ILE 95 HD12 ILE 95 -5.225 8.146 0.175 729 HD13 ILE 95 HD13 ILE 95 -4.377 9.225 -0.959 730 H CYS 96 H CYS 96 -10.259 8.436 -0.660 731 HA CYS 96 HA CYS 96 -11.482 8.740 -3.372 732 HB2 CYS 96 HB2 CYS 96 -12.096 6.423 -3.215 733 HB3 CYS 96 HB3 CYS 96 -10.354 6.632 -3.051 734 H LYS 97 H LYS 97 -13.699 8.348 -3.589 735 HA LYS 97 HA LYS 97 -15.538 8.478 -1.303 736 HB2 LYS 97 HB2 LYS 97 -14.767 10.842 -1.775 737 HB3 LYS 97 HB3 LYS 97 -15.526 10.749 -3.352 738 HG2 LYS 97 HG2 LYS 97 -16.986 10.362 -0.690 739 HG3 LYS 97 HG3 LYS 97 -16.792 11.912 -1.505 740 HD2 LYS 97 HD2 LYS 97 -18.003 10.882 -3.528 741 HD3 LYS 97 HD3 LYS 97 -18.379 9.511 -2.476 742 HE2 LYS 97 HE2 LYS 97 -20.281 10.891 -2.392 743 HE3 LYS 97 HE3 LYS 97 -19.451 11.113 -0.850 744 HZ1 LYS 97 HZ1 LYS 97 -20.170 13.232 -1.819 745 HZ2 LYS 97 HZ2 LYS 97 -19.293 12.977 -3.169 746 HZ3 LYS 97 HZ3 LYS 97 -18.543 13.210 -1.733 747 H GLY 98 H GLY 98 -16.759 6.788 -1.847 748 HA2 GLY 98 HA2 GLY 98 -18.494 5.664 -2.949 749 HA3 GLY 98 HA3 GLY 98 -18.414 6.828 -4.261 750 H ILE 99 H ILE 99 -15.322 5.560 -3.743 751 HA ILE 99 HA ILE 99 -15.384 4.148 -6.276 752 HB ILE 99 HB ILE 99 -13.115 4.536 -4.291 753 HG12 ILE 99 HG12 ILE 99 -13.927 5.965 -6.869 754 HG13 ILE 99 HG13 ILE 99 -13.932 6.635 -5.242 755 HG21 ILE 99 HG21 ILE 99 -13.121 3.406 -7.139 756 HG22 ILE 99 HG22 ILE 99 -11.672 3.839 -6.223 757 HG23 ILE 99 HG23 ILE 99 -12.672 2.531 -5.644 758 HD11 ILE 99 HD11 ILE 99 -12.038 7.560 -6.247 759 HD12 ILE 99 HD12 ILE 99 -11.375 6.265 -5.235 760 HD13 ILE 99 HD13 ILE 99 -11.539 6.026 -6.985 761 H ILE 100 H ILE 100 -16.137 2.235 -6.504 762 HA ILE 100 HA ILE 100 -15.536 0.028 -4.567 763 HB ILE 100 HB ILE 100 -17.643 -0.126 -6.733 764 HG12 ILE 100 HG12 ILE 100 -17.961 1.056 -3.944 765 HG13 ILE 100 HG13 ILE 100 -18.269 1.864 -5.483 766 HG21 ILE 100 HG21 ILE 100 -18.594 -1.852 -5.313 767 HG22 ILE 100 HG22 ILE 100 -16.888 -2.216 -5.467 768 HG23 ILE 100 HG23 ILE 100 -17.491 -1.432 -3.990 769 HD11 ILE 100 HD11 ILE 100 -20.372 1.371 -4.512 770 HD12 ILE 100 HD12 ILE 100 -20.165 0.287 -5.904 771 HD13 ILE 100 HD13 ILE 100 -19.953 -0.323 -4.240 772 H ALA 101 H ALA 101 -14.581 1.313 -7.495 773 HA ALA 101 HA ALA 101 -14.227 -0.967 -9.171 774 HB1 ALA 101 HB1 ALA 101 -14.593 1.366 -9.930 775 HB2 ALA 101 HB2 ALA 101 -12.987 1.817 -9.304 776 HB3 ALA 101 HB3 ALA 101 -13.136 0.664 -10.645 777 H SER 102 H SER 102 -12.483 -0.586 -6.442 778 HA SER 102 HA SER 102 -10.389 -0.988 -5.667 779 HB2 SER 102 HB2 SER 102 -11.129 -3.217 -6.633 780 HB3 SER 102 HB3 SER 102 -9.992 -2.914 -7.952 781 HG SER 102 HG SER 102 -9.576 -3.689 -5.369 782 H LYS 103 H LYS 103 -10.038 1.296 -6.402 783 HA LYS 103 HA LYS 103 -7.442 1.614 -7.714 784 HB2 LYS 103 HB2 LYS 103 -9.013 1.564 -9.625 785 HB3 LYS 103 HB3 LYS 103 -9.895 2.942 -8.962 786 HG2 LYS 103 HG2 LYS 103 -8.003 4.402 -9.291 787 HG3 LYS 103 HG3 LYS 103 -6.917 3.036 -9.621 788 HD2 LYS 103 HD2 LYS 103 -8.134 2.562 -11.713 789 HD3 LYS 103 HD3 LYS 103 -9.250 3.909 -11.380 790 HE2 LYS 103 HE2 LYS 103 -7.353 5.500 -11.398 791 HE3 LYS 103 HE3 LYS 103 -6.218 4.172 -11.669 792 HZ1 LYS 103 HZ1 LYS 103 -7.306 3.758 -13.808 793 HZ2 LYS 103 HZ2 LYS 103 -6.782 5.300 -13.746 794 HZ3 LYS 103 HZ3 LYS 103 -8.370 4.975 -13.559 795 H ASN 104 H ASN 104 -6.517 3.776 -7.265 796 HA ASN 104 HA ASN 104 -8.291 5.739 -6.012 797 HB2 ASN 104 HB2 ASN 104 -6.731 4.227 -4.368 798 HB3 ASN 104 HB3 ASN 104 -5.575 5.488 -4.746 799 HD21 ASN 104 HD21 ASN 104 -6.531 5.074 -2.146 800 HD22 ASN 104 HD22 ASN 104 -7.475 6.472 -1.692 801 H VAL 105 H VAL 105 -6.459 7.711 -5.483 802 HA VAL 105 HA VAL 105 -4.738 8.061 -7.872 803 HB VAL 105 HB VAL 105 -6.776 9.424 -8.154 804 HG11 VAL 105 HG11 VAL 105 -7.323 9.922 -5.793 805 HG12 VAL 105 HG12 VAL 105 -5.890 10.969 -5.682 806 HG13 VAL 105 HG13 VAL 105 -7.220 11.386 -6.778 807 HG21 VAL 105 HG21 VAL 105 -4.314 11.141 -7.680 808 HG22 VAL 105 HG22 VAL 105 -4.623 10.147 -9.125 809 HG23 VAL 105 HG23 VAL 105 -5.693 11.501 -8.731 810 H LEU 106 H LEU 106 -2.742 8.860 -7.422 811 HA LEU 106 HA LEU 106 -1.521 8.840 -4.920 812 HB2 LEU 106 HB2 LEU 106 -0.392 8.925 -7.157 813 HB3 LEU 106 HB3 LEU 106 -0.965 10.571 -7.378 814 HG LEU 106 HG LEU 106 0.480 11.244 -5.401 815 HD11 LEU 106 HD11 LEU 106 1.752 8.532 -5.755 816 HD12 LEU 106 HD12 LEU 106 0.634 8.941 -4.444 817 HD13 LEU 106 HD13 LEU 106 2.174 9.798 -4.576 818 HD21 LEU 106 HD21 LEU 106 1.817 9.966 -7.800 819 HD22 LEU 106 HD22 LEU 106 2.565 11.148 -6.700 820 HD23 LEU 106 HD23 LEU 106 1.184 11.620 -7.699 821 H THR 107 H THR 107 -1.155 10.319 -3.278 822 HA THR 107 HA THR 107 -2.937 12.551 -2.917 823 HB THR 107 HB THR 107 -0.714 13.002 -1.232 824 HG1 THR 107 HG1 THR 107 -1.350 10.278 -1.085 825 HG21 THR 107 HG21 THR 107 -3.309 11.455 -0.780 826 HG22 THR 107 HG22 THR 107 -3.052 13.193 -0.510 827 HG23 THR 107 HG23 THR 107 -2.236 11.996 0.518 828 H THR 108 H THR 108 -2.069 14.723 -2.235 829 HA THR 108 HA THR 108 -0.140 15.820 -4.268 830 HB THR 108 HB THR 108 -2.489 16.278 -4.816 831 HG1 THR 108 HG1 THR 108 -2.133 18.454 -5.220 832 HG21 THR 108 HG21 THR 108 -2.501 18.093 -2.365 833 HG22 THR 108 HG22 THR 108 -3.436 16.587 -2.532 834 HG23 THR 108 HG23 THR 108 -3.766 17.957 -3.600 835 H SER 109 H SER 109 -1.050 15.830 -0.917 836 HA SER 109 HA SER 109 0.738 18.061 -0.151 837 HB2 SER 109 HB2 SER 109 -0.882 16.067 1.482 838 HB3 SER 109 HB3 SER 109 0.122 17.348 2.175 839 HG SER 109 HG SER 109 -2.053 17.753 0.368 840 H GLU 110 H GLU 110 2.357 17.584 1.634 841 HA GLU 110 HA GLU 110 3.937 15.143 0.979 842 HB2 GLU 110 HB2 GLU 110 5.016 17.821 1.889 843 HB3 GLU 110 HB3 GLU 110 5.924 16.407 1.339 844 HG2 GLU 110 HG2 GLU 110 4.678 16.631 -0.885 845 HG3 GLU 110 HG3 GLU 110 4.122 18.206 -0.328 846 H PHE 111 H PHE 111 3.865 13.668 2.519 847 HA PHE 111 HA PHE 111 3.476 14.430 5.367 848 HB2 PHE 111 HB2 PHE 111 3.099 11.709 4.083 849 HB3 PHE 111 HB3 PHE 111 2.488 12.275 5.627 850 HD1 PHE 111 HD1 PHE 111 2.141 12.501 1.946 851 HD2 PHE 111 HD2 PHE 111 0.328 13.454 5.736 852 HE1 PHE 111 HE1 PHE 111 0.055 13.093 0.787 853 HE2 PHE 111 HE2 PHE 111 -1.795 13.994 4.575 854 HZ PHE 111 HZ PHE 111 -1.928 13.814 2.078 855 H TYR 112 H TYR 112 4.571 12.903 6.975 856 HA TYR 112 HA TYR 112 7.420 12.751 6.323 857 HB2 TYR 112 HB2 TYR 112 5.772 12.667 8.749 858 HB3 TYR 112 HB3 TYR 112 7.048 11.455 8.755 859 HD1 TYR 112 HD1 TYR 112 6.475 15.118 8.179 860 HD2 TYR 112 HD2 TYR 112 9.247 12.016 9.319 861 HE1 TYR 112 HE1 TYR 112 8.134 16.851 8.858 862 HE2 TYR 112 HE2 TYR 112 10.901 13.756 10.015 863 HH TYR 112 HH TYR 112 10.207 17.257 9.737 864 H LEU 113 H LEU 113 8.115 11.262 5.052 865 HA LEU 113 HA LEU 113 6.999 8.496 5.087 866 HB2 LEU 113 HB2 LEU 113 8.095 10.297 3.012 867 HB3 LEU 113 HB3 LEU 113 8.734 8.672 2.930 868 HG LEU 113 HG LEU 113 6.737 9.092 1.516 869 HD11 LEU 113 HD11 LEU 113 7.408 6.818 2.205 870 HD12 LEU 113 HD12 LEU 113 5.656 6.955 1.979 871 HD13 LEU 113 HD13 LEU 113 6.335 6.927 3.616 872 HD21 LEU 113 HD21 LEU 113 4.507 9.108 2.388 873 HD22 LEU 113 HD22 LEU 113 5.396 10.480 3.072 874 HD23 LEU 113 HD23 LEU 113 5.084 9.039 4.063 875 H SER 114 H SER 114 7.998 6.981 6.057 876 HA SER 114 HA SER 114 10.885 7.283 6.822 877 HB2 SER 114 HB2 SER 114 9.543 7.827 8.742 878 HB3 SER 114 HB3 SER 114 8.567 6.381 8.537 879 HG SER 114 HG SER 114 10.084 5.829 10.043 880 H ASP 115 H ASP 115 11.839 5.961 5.402 881 HA ASP 115 HA ASP 115 10.802 3.198 4.992 882 HB2 ASP 115 HB2 ASP 115 13.147 4.631 3.722 883 HB3 ASP 115 HB3 ASP 115 12.473 3.085 3.217 884 H CYS 116 H CYS 116 12.294 1.410 5.212 885 HA CYS 116 HA CYS 116 15.012 1.928 6.192 886 HB2 CYS 116 HB2 CYS 116 12.965 1.060 8.062 887 HB3 CYS 116 HB3 CYS 116 14.222 -0.159 7.933 888 H ASN 117 H ASN 117 16.154 0.904 4.712 889 HA ASN 117 HA ASN 117 15.233 -1.683 3.538 890 HB2 ASN 117 HB2 ASN 117 17.308 0.392 2.732 891 HB3 ASN 117 HB3 ASN 117 17.204 -1.196 1.975 892 HD21 ASN 117 HD21 ASN 117 15.496 1.923 2.353 893 HD22 ASN 117 HD22 ASN 117 14.451 1.610 0.976 894 H VAL 118 H VAL 118 16.155 -3.549 3.976 895 HA VAL 118 HA VAL 118 17.922 -4.022 6.154 896 HB VAL 118 HB VAL 118 17.025 -5.670 3.793 897 HG11 VAL 118 HG11 VAL 118 19.214 -6.665 4.296 898 HG12 VAL 118 HG12 VAL 118 18.821 -6.696 6.037 899 HG13 VAL 118 HG13 VAL 118 17.932 -7.714 4.885 900 HG21 VAL 118 HG21 VAL 118 16.537 -5.914 6.785 901 HG22 VAL 118 HG22 VAL 118 15.415 -5.217 5.593 902 HG23 VAL 118 HG23 VAL 118 15.815 -6.934 5.524 903 H THR 119 H THR 119 20.049 -4.567 6.369 904 HA THR 119 HA THR 119 21.891 -3.924 4.076 905 HB THR 119 HB THR 119 23.539 -3.171 5.714 906 HG1 THR 119 HG1 THR 119 22.709 -4.284 7.514 907 HG21 THR 119 HG21 THR 119 20.860 -1.769 5.923 908 HG22 THR 119 HG22 THR 119 22.072 -1.524 4.647 909 HG23 THR 119 HG23 THR 119 22.437 -1.062 6.326 910 H SER 120 H SER 120 21.973 -5.976 3.293 911 HA SER 120 HA SER 120 22.848 -8.308 4.772 912 HB2 SER 120 HB2 SER 120 23.197 -9.258 2.481 913 HB3 SER 120 HB3 SER 120 21.563 -8.661 2.807 914 HG SER 120 HG SER 120 22.387 -7.963 0.739 Start of MODEL 13 1 H1 ARG 1 H1 ARG 1 17.245 -7.610 16.662 2 H2 ARG 1 H2 ARG 1 18.584 -8.437 17.130 3 H3 ARG 1 H3 ARG 1 18.539 -6.798 17.222 4 HA ARG 1 HA ARG 1 18.373 -6.592 14.839 5 HB2 ARG 1 HB2 ARG 1 20.661 -7.191 14.249 6 HB3 ARG 1 HB3 ARG 1 20.534 -6.295 15.753 7 HG2 ARG 1 HG2 ARG 1 21.014 -8.292 17.085 8 HG3 ARG 1 HG3 ARG 1 21.021 -9.300 15.636 9 HD2 ARG 1 HD2 ARG 1 22.880 -7.694 14.762 10 HD3 ARG 1 HD3 ARG 1 23.001 -7.163 16.437 11 HE ARG 1 HE ARG 1 24.002 -9.189 17.006 12 HH11 ARG 1 HH11 ARG 1 22.684 -9.595 13.791 13 HH12 ARG 1 HH12 ARG 1 23.520 -11.103 13.540 14 HH21 ARG 1 HH21 ARG 1 25.026 -11.115 16.630 15 HH22 ARG 1 HH22 ARG 1 24.806 -11.931 15.110 16 HA PRO 2 HA PRO 2 16.735 -10.607 13.440 17 HB2 PRO 2 HB2 PRO 2 14.980 -9.727 11.524 18 HB3 PRO 2 HB3 PRO 2 14.616 -9.790 13.266 19 HG2 PRO 2 HG2 PRO 2 15.476 -7.402 11.622 20 HG3 PRO 2 HG3 PRO 2 14.205 -7.498 12.875 21 HD2 PRO 2 HD2 PRO 2 16.711 -6.508 13.369 22 HD3 PRO 2 HD3 PRO 2 15.760 -7.379 14.608 23 H CYS 3 H CYS 3 17.251 -8.027 10.989 24 HA CYS 3 HA CYS 3 19.216 -9.670 9.528 25 HB2 CYS 3 HB2 CYS 3 16.982 -8.399 7.923 26 HB3 CYS 3 HB3 CYS 3 18.096 -9.682 7.492 27 H LYS 4 H LYS 4 19.980 -8.213 7.526 28 HA LYS 4 HA LYS 4 20.864 -5.624 8.732 29 HB2 LYS 4 HB2 LYS 4 21.936 -7.151 6.336 30 HB3 LYS 4 HB3 LYS 4 22.676 -5.736 7.077 31 HG2 LYS 4 HG2 LYS 4 22.383 -8.515 8.302 32 HG3 LYS 4 HG3 LYS 4 23.859 -7.793 7.691 33 HD2 LYS 4 HD2 LYS 4 22.299 -6.782 10.115 34 HD3 LYS 4 HD3 LYS 4 23.726 -7.819 10.160 35 HE2 LYS 4 HE2 LYS 4 25.047 -6.059 8.986 36 HE3 LYS 4 HE3 LYS 4 23.637 -4.993 9.014 37 HZ1 LYS 4 HZ1 LYS 4 23.705 -5.080 11.454 38 HZ2 LYS 4 HZ2 LYS 4 25.131 -4.538 10.875 39 HZ3 LYS 4 HZ3 LYS 4 25.010 -6.068 11.423 40 H TYR 5 H TYR 5 20.239 -3.726 7.948 41 HA TYR 5 HA TYR 5 18.987 -3.530 5.253 42 HB2 TYR 5 HB2 TYR 5 17.878 -2.267 7.779 43 HB3 TYR 5 HB3 TYR 5 17.224 -2.091 6.164 44 HD1 TYR 5 HD1 TYR 5 17.622 -4.390 9.036 45 HD2 TYR 5 HD2 TYR 5 15.843 -3.895 5.124 46 HE1 TYR 5 HE1 TYR 5 16.034 -6.254 9.504 47 HE2 TYR 5 HE2 TYR 5 14.226 -5.684 5.644 48 HH TYR 5 HH TYR 5 13.678 -7.347 7.046 49 H LYS 6 H LYS 6 18.869 -1.373 4.417 50 HA LYS 6 HA LYS 6 21.026 0.478 5.365 51 HB2 LYS 6 HB2 LYS 6 21.308 1.211 3.089 52 HB3 LYS 6 HB3 LYS 6 21.514 -0.525 3.201 53 HG2 LYS 6 HG2 LYS 6 18.735 0.077 2.552 54 HG3 LYS 6 HG3 LYS 6 19.780 0.977 1.472 55 HD2 LYS 6 HD2 LYS 6 19.959 -2.037 1.919 56 HD3 LYS 6 HD3 LYS 6 19.047 -1.264 0.628 57 HE2 LYS 6 HE2 LYS 6 21.192 -0.165 -0.153 58 HE3 LYS 6 HE3 LYS 6 22.057 -1.186 1.002 59 HZ1 LYS 6 HZ1 LYS 6 22.002 -2.269 -1.146 60 HZ2 LYS 6 HZ2 LYS 6 20.384 -2.125 -1.273 61 HZ3 LYS 6 HZ3 LYS 6 21.018 -3.135 -0.164 62 H LEU 7 H LEU 7 20.754 2.683 5.149 63 HA LEU 7 HA LEU 7 18.222 3.537 6.286 64 HB2 LEU 7 HB2 LEU 7 20.797 4.075 6.873 65 HB3 LEU 7 HB3 LEU 7 20.548 5.400 5.766 66 HG LEU 7 HG LEU 7 20.237 6.188 7.979 67 HD11 LEU 7 HD11 LEU 7 18.573 7.067 6.352 68 HD12 LEU 7 HD12 LEU 7 17.998 7.078 8.027 69 HD13 LEU 7 HD13 LEU 7 17.416 5.831 6.910 70 HD21 LEU 7 HD21 LEU 7 18.681 5.267 9.602 71 HD22 LEU 7 HD22 LEU 7 19.828 4.023 9.084 72 HD23 LEU 7 HD23 LEU 7 18.163 4.008 8.462 73 H LYS 8 H LYS 8 16.561 4.128 5.047 74 HA LYS 8 HA LYS 8 16.950 6.064 2.802 75 HB2 LYS 8 HB2 LYS 8 16.823 3.749 1.891 76 HB3 LYS 8 HB3 LYS 8 15.286 3.512 2.713 77 HG2 LYS 8 HG2 LYS 8 14.847 3.972 0.406 78 HG3 LYS 8 HG3 LYS 8 14.286 5.366 1.332 79 HD2 LYS 8 HD2 LYS 8 16.310 6.634 0.707 80 HD3 LYS 8 HD3 LYS 8 16.952 5.209 -0.145 81 HE2 LYS 8 HE2 LYS 8 14.951 5.239 -1.642 82 HE3 LYS 8 HE3 LYS 8 14.357 6.680 -0.807 83 HZ1 LYS 8 HZ1 LYS 8 16.909 6.513 -2.327 84 HZ2 LYS 8 HZ2 LYS 8 16.376 7.848 -1.546 85 HZ3 LYS 8 HZ3 LYS 8 15.556 7.270 -2.833 86 H LYS 9 H LYS 9 15.988 7.841 3.650 87 HA LYS 9 HA LYS 9 13.099 7.627 4.475 88 HB2 LYS 9 HB2 LYS 9 15.079 9.606 5.651 89 HB3 LYS 9 HB3 LYS 9 13.397 9.383 6.118 90 HG2 LYS 9 HG2 LYS 9 15.667 7.402 6.537 91 HG3 LYS 9 HG3 LYS 9 14.971 8.443 7.768 92 HD2 LYS 9 HD2 LYS 9 12.869 7.232 7.742 93 HD3 LYS 9 HD3 LYS 9 13.350 6.327 6.303 94 HE2 LYS 9 HE2 LYS 9 15.371 5.505 7.711 95 HE3 LYS 9 HE3 LYS 9 14.452 6.076 9.108 96 HZ1 LYS 9 HZ1 LYS 9 13.973 3.749 8.692 97 HZ2 LYS 9 HZ2 LYS 9 13.571 4.018 7.125 98 HZ3 LYS 9 HZ3 LYS 9 12.614 4.591 8.324 99 H SER 10 H SER 10 11.734 9.268 3.921 100 HA SER 10 HA SER 10 12.648 11.507 2.223 101 HB2 SER 10 HB2 SER 10 12.222 9.447 0.742 102 HB3 SER 10 HB3 SER 10 10.513 9.603 1.192 103 HG SER 10 HG SER 10 10.868 10.792 -0.690 104 H THR 11 H THR 11 10.588 12.768 1.484 105 HA THR 11 HA THR 11 8.412 12.670 3.463 106 HB THR 11 HB THR 11 9.713 15.359 2.975 107 HG1 THR 11 HG1 THR 11 10.544 15.148 5.060 108 HG21 THR 11 HG21 THR 11 7.306 15.220 3.662 109 HG22 THR 11 HG22 THR 11 8.312 15.930 4.946 110 HG23 THR 11 HG23 THR 11 7.787 14.229 5.056 111 H ASN 12 H ASN 12 6.737 12.346 2.155 112 HA ASN 12 HA ASN 12 5.895 14.172 0.096 113 HB2 ASN 12 HB2 ASN 12 6.202 12.554 -1.873 114 HB3 ASN 12 HB3 ASN 12 7.613 13.395 -1.286 115 HD21 ASN 12 HD21 ASN 12 6.163 10.406 0.180 116 HD22 ASN 12 HD22 ASN 12 7.590 9.468 -0.250 117 H LYS 13 H LYS 13 4.103 13.316 -1.231 118 HA LYS 13 HA LYS 13 1.981 11.945 0.131 119 HB2 LYS 13 HB2 LYS 13 1.035 11.910 -2.290 120 HB3 LYS 13 HB3 LYS 13 1.245 13.425 -1.453 121 HG2 LYS 13 HG2 LYS 13 3.503 12.553 -3.208 122 HG3 LYS 13 HG3 LYS 13 1.989 12.982 -4.001 123 HD2 LYS 13 HD2 LYS 13 1.915 15.160 -2.921 124 HD3 LYS 13 HD3 LYS 13 3.372 14.812 -1.993 125 HE2 LYS 13 HE2 LYS 13 4.617 14.502 -4.199 126 HE3 LYS 13 HE3 LYS 13 3.164 15.077 -5.022 127 HZ1 LYS 13 HZ1 LYS 13 4.682 16.903 -4.675 128 HZ2 LYS 13 HZ2 LYS 13 4.821 16.631 -3.076 129 HZ3 LYS 13 HZ3 LYS 13 3.397 17.166 -3.705 130 H PHE 14 H PHE 14 0.798 10.175 -0.975 131 HA PHE 14 HA PHE 14 2.454 7.952 -1.987 132 HB2 PHE 14 HB2 PHE 14 1.374 6.413 -0.253 133 HB3 PHE 14 HB3 PHE 14 2.637 7.483 0.327 134 HD1 PHE 14 HD2 PHE 14 -1.098 7.076 0.186 135 HD2 PHE 14 HD1 PHE 14 2.233 9.041 2.086 136 HE1 PHE 14 HE2 PHE 14 -2.639 8.102 1.841 137 HE2 PHE 14 HE1 PHE 14 0.694 10.006 3.769 138 HZ PHE 14 HZ PHE 14 -1.745 9.638 3.595 139 H CYS 15 H CYS 15 1.323 6.369 -3.082 140 HA CYS 15 HA CYS 15 -1.481 7.099 -3.847 141 HB2 CYS 15 HB2 CYS 15 0.251 7.170 -5.641 142 HB3 CYS 15 HB3 CYS 15 0.488 5.443 -5.455 143 H VAL 16 H VAL 16 -3.022 5.639 -3.909 144 HA VAL 16 HA VAL 16 -2.699 2.856 -2.878 145 HB VAL 16 HB VAL 16 -4.464 3.227 -1.146 146 HG11 VAL 16 HG11 VAL 16 -3.035 4.188 0.576 147 HG12 VAL 16 HG12 VAL 16 -2.164 3.026 -0.432 148 HG13 VAL 16 HG13 VAL 16 -1.899 4.773 -0.653 149 HG21 VAL 16 HG21 VAL 16 -3.822 6.186 -1.354 150 HG22 VAL 16 HG22 VAL 16 -5.250 5.444 -2.083 151 HG23 VAL 16 HG23 VAL 16 -5.021 5.378 -0.320 152 H THR 17 H THR 17 -5.046 1.806 -2.664 153 HA THR 17 HA THR 17 -6.808 2.817 -4.890 154 HB THR 17 HB THR 17 -6.585 -0.084 -4.118 155 HG1 THR 17 HG1 THR 17 -5.105 1.234 -6.152 156 HG21 THR 17 HG21 THR 17 -7.359 -0.476 -6.402 157 HG22 THR 17 HG22 THR 17 -7.392 1.269 -6.712 158 HG23 THR 17 HG23 THR 17 -8.495 0.542 -5.511 159 H CYS 18 H CYS 18 -8.834 3.421 -4.245 160 HA CYS 18 HA CYS 18 -9.823 2.628 -1.581 161 HB2 CYS 18 HB2 CYS 18 -9.877 5.008 -2.472 162 HB3 CYS 18 HB3 CYS 18 -11.135 4.461 -3.572 163 H GLU 19 H GLU 19 -11.303 1.155 -1.270 164 HA GLU 19 HA GLU 19 -13.178 0.352 -3.428 165 HB2 GLU 19 HB2 GLU 19 -11.194 -1.230 -3.347 166 HB3 GLU 19 HB3 GLU 19 -11.722 -1.701 -1.727 167 HG2 GLU 19 HG2 GLU 19 -13.982 -2.284 -2.709 168 HG3 GLU 19 HG3 GLU 19 -13.341 -1.916 -4.309 169 H ASN 20 H ASN 20 -15.069 0.841 -2.639 170 HA ASN 20 HA ASN 20 -16.827 1.267 -1.275 171 HB2 ASN 20 HB2 ASN 20 -15.760 -1.116 0.276 172 HB3 ASN 20 HB3 ASN 20 -17.242 -0.270 0.685 173 HD21 ASN 20 HD21 ASN 20 -15.712 -1.874 -2.192 174 HD22 ASN 20 HD22 ASN 20 -17.263 -2.488 -2.754 175 H GLN 21 H GLN 21 -15.120 3.102 -1.149 176 HA GLN 21 HA GLN 21 -14.677 5.058 -0.107 177 HB2 GLN 21 HB2 GLN 21 -16.538 4.156 2.112 178 HB3 GLN 21 HB3 GLN 21 -16.058 5.798 1.687 179 HG2 GLN 21 HG2 GLN 21 -18.039 5.819 0.590 180 HG3 GLN 21 HG3 GLN 21 -17.101 5.044 -0.689 181 HE21 GLN 21 HE21 GLN 21 -18.332 3.380 -1.566 182 HE22 GLN 21 HE22 GLN 21 -19.390 2.367 -0.580 183 H ALA 22 H ALA 22 -12.777 2.908 0.451 184 HA ALA 22 HA ALA 22 -11.341 4.067 2.631 185 HB1 ALA 22 HB1 ALA 22 -12.945 2.649 3.892 186 HB2 ALA 22 HB2 ALA 22 -12.448 1.238 2.933 187 HB3 ALA 22 HB3 ALA 22 -11.294 2.046 4.037 188 HA PRO 23 HA PRO 23 -8.375 2.264 -0.215 189 HB2 PRO 23 HB2 PRO 23 -6.062 3.162 0.832 190 HB3 PRO 23 HB3 PRO 23 -7.311 4.227 0.075 191 HG2 PRO 23 HG2 PRO 23 -6.973 3.652 3.039 192 HG3 PRO 23 HG3 PRO 23 -7.031 5.243 2.223 193 HD2 PRO 23 HD2 PRO 23 -9.248 4.064 3.315 194 HD3 PRO 23 HD3 PRO 23 -9.339 5.038 1.813 195 H VAL 24 H VAL 24 -8.355 0.098 -0.209 196 HA VAL 24 HA VAL 24 -7.298 -1.406 2.116 197 HB VAL 24 HB VAL 24 -8.436 -3.332 1.288 198 HG11 VAL 24 HG11 VAL 24 -10.450 -1.088 0.880 199 HG12 VAL 24 HG12 VAL 24 -10.699 -2.706 1.561 200 HG13 VAL 24 HG13 VAL 24 -9.789 -1.478 2.462 201 HG21 VAL 24 HG21 VAL 24 -9.256 -1.683 -1.156 202 HG22 VAL 24 HG22 VAL 24 -8.163 -3.090 -1.149 203 HG23 VAL 24 HG23 VAL 24 -9.863 -3.298 -0.730 204 H HIS 25 H HIS 25 -5.805 -0.024 -0.441 205 HA HIS 25 HA HIS 25 -3.885 -2.275 -0.732 206 HB2 HIS 25 HB2 HIS 25 -5.764 -2.325 -2.581 207 HB3 HIS 25 HB3 HIS 25 -4.962 -0.896 -3.193 208 HD1 HIS 25 HD1 HIS 25 -4.042 -4.565 -2.449 209 HD2 HIS 25 HD2 HIS 25 -2.986 -1.241 -4.831 210 HE1 HIS 25 HE1 HIS 25 -2.154 -5.375 -4.048 211 HE2 HIS 25 HE2 HIS 25 -1.532 -3.335 -5.498 212 H PHE 26 H PHE 26 -1.814 -1.642 -1.348 213 HA PHE 26 HA PHE 26 -1.268 1.291 -1.404 214 HB2 PHE 26 HB2 PHE 26 -0.213 0.032 0.453 215 HB3 PHE 26 HB3 PHE 26 0.522 -1.069 -0.700 216 HD1 PHE 26 HD2 PHE 26 0.265 2.718 -0.464 217 HD2 PHE 26 HD1 PHE 26 2.863 -0.736 -0.699 218 HE1 PHE 26 HE2 PHE 26 2.238 4.195 -0.563 219 HE2 PHE 26 HE1 PHE 26 4.824 0.763 -0.786 220 HZ PHE 26 HZ PHE 26 4.512 3.226 -0.718 221 H VAL 27 H VAL 27 -0.437 2.221 -3.163 222 HA VAL 27 HA VAL 27 0.282 0.489 -5.510 223 HB VAL 27 HB VAL 27 -0.575 3.389 -5.467 224 HG11 VAL 27 HG11 VAL 27 -0.747 3.129 -7.927 225 HG12 VAL 27 HG12 VAL 27 0.911 2.937 -7.347 226 HG13 VAL 27 HG13 VAL 27 -0.035 1.505 -7.798 227 HG21 VAL 27 HG21 VAL 27 -2.455 1.823 -4.979 228 HG22 VAL 27 HG22 VAL 27 -2.617 2.643 -6.535 229 HG23 VAL 27 HG23 VAL 27 -2.074 0.948 -6.480 230 H GLY 28 H GLY 28 1.434 3.543 -3.864 231 HA2 GLY 28 HA2 GLY 28 4.192 2.916 -4.182 232 HA3 GLY 28 HA3 GLY 28 3.669 3.854 -5.587 233 H VAL 29 H VAL 29 5.438 5.166 -4.632 234 HA VAL 29 HA VAL 29 4.511 7.078 -2.513 235 HB VAL 29 HB VAL 29 7.370 6.144 -3.038 236 HG11 VAL 29 HG11 VAL 29 7.260 8.419 -2.139 237 HG12 VAL 29 HG12 VAL 29 6.099 7.885 -0.892 238 HG13 VAL 29 HG13 VAL 29 7.789 7.313 -0.862 239 HG21 VAL 29 HG21 VAL 29 7.212 5.056 -0.820 240 HG22 VAL 29 HG22 VAL 29 5.472 5.431 -0.762 241 HG23 VAL 29 HG23 VAL 29 6.124 4.312 -1.990 242 H GLY 30 H GLY 30 4.424 9.192 -3.111 243 HA2 GLY 30 HA2 GLY 30 4.636 11.100 -4.372 244 HA3 GLY 30 HA3 GLY 30 6.201 10.495 -4.891 245 H SER 31 H SER 31 3.837 8.316 -5.841 246 HA SER 31 HA SER 31 2.813 9.358 -8.315 247 HB2 SER 31 HB2 SER 31 5.342 7.669 -8.384 248 HB3 SER 31 HB3 SER 31 4.193 7.698 -9.734 249 HG SER 31 HG SER 31 5.197 10.103 -8.650 250 H CYS 32 H CYS 32 1.709 7.653 -9.539 251 HA CYS 32 HA CYS 32 0.939 5.257 -7.934 252 HB2 CYS 32 HB2 CYS 32 -0.452 6.663 -10.231 253 HB3 CYS 32 HB3 CYS 32 -1.035 5.212 -9.425 254 H GLY 33 H GLY 33 2.203 3.580 -8.456 255 HA2 GLY 33 HA2 GLY 33 3.258 3.214 -11.238 256 HA3 GLY 33 HA3 GLY 33 3.997 2.619 -9.757 257 H SER 34 H SER 34 1.030 2.308 -11.693 258 HA SER 34 HA SER 34 0.339 -0.375 -10.780 259 HB2 SER 34 HB2 SER 34 -1.247 1.346 -11.759 260 HB3 SER 34 HB3 SER 34 -0.534 0.998 -13.347 261 HG SER 34 HG SER 34 -2.421 -0.261 -12.911 262 H GLY 35 H GLY 35 0.221 -2.248 -12.257 263 HA2 GLY 35 HA2 GLY 35 1.564 -2.771 -14.607 264 HA3 GLY 35 HA3 GLY 35 2.840 -2.870 -13.388 265 H GLY 36 H GLY 36 2.670 -5.053 -14.614 266 HA2 GLY 36 HA2 GLY 36 1.043 -7.028 -13.034 267 HA3 GLY 36 HA3 GLY 36 1.328 -7.172 -14.768 268 H SER 37 H SER 37 2.501 -7.910 -11.666 269 HA SER 37 HA SER 37 4.915 -9.244 -12.762 270 HB2 SER 37 HB2 SER 37 5.526 -6.951 -11.827 271 HB3 SER 37 HB3 SER 37 5.025 -7.553 -10.238 272 HG SER 37 HG SER 37 7.178 -8.374 -11.899 273 H GLY 38 H GLY 38 5.938 -10.614 -10.992 274 HA2 GLY 38 HA2 GLY 38 3.865 -12.460 -9.950 275 HA3 GLY 38 HA3 GLY 38 5.582 -12.790 -10.155 276 H ILE 39 H ILE 39 5.192 -9.875 -8.534 277 HA ILE 39 HA ILE 39 6.542 -10.723 -6.207 278 HB ILE 39 HB ILE 39 4.866 -8.234 -6.604 279 HG12 ILE 39 HG12 ILE 39 7.891 -8.552 -6.938 280 HG13 ILE 39 HG13 ILE 39 6.771 -8.642 -8.290 281 HG21 ILE 39 HG21 ILE 39 5.318 -8.517 -4.223 282 HG22 ILE 39 HG22 ILE 39 7.045 -8.826 -4.556 283 HG23 ILE 39 HG23 ILE 39 6.328 -7.228 -4.828 284 HD11 ILE 39 HD11 ILE 39 7.253 -6.193 -6.564 285 HD12 ILE 39 HD12 ILE 39 7.676 -6.440 -8.263 286 HD13 ILE 39 HD13 ILE 39 5.969 -6.331 -7.792 287 H PHE 40 H PHE 40 5.998 -11.382 -4.327 288 HA PHE 40 HA PHE 40 3.244 -11.244 -3.206 289 HB2 PHE 40 HB2 PHE 40 3.793 -13.454 -4.510 290 HB3 PHE 40 HB3 PHE 40 4.755 -13.864 -3.103 291 HD1 PHE 40 HD2 PHE 40 1.344 -13.032 -4.347 292 HD2 PHE 40 HD1 PHE 40 3.635 -14.581 -1.040 293 HE1 PHE 40 HE2 PHE 40 -0.752 -13.826 -3.271 294 HE2 PHE 40 HE1 PHE 40 1.535 -15.378 0.036 295 HZ PHE 40 HZ PHE 40 -0.658 -14.998 -1.077 296 H LEU 41 H LEU 41 5.987 -10.033 -2.664 297 HA LEU 41 HA LEU 41 7.085 -11.242 -0.303 298 HB2 LEU 41 HB2 LEU 41 7.504 -8.544 -1.653 299 HB3 LEU 41 HB3 LEU 41 8.474 -9.082 -0.288 300 HG LEU 41 HG LEU 41 8.275 -10.745 -2.834 301 HD11 LEU 41 HD11 LEU 41 9.112 -8.488 -3.420 302 HD12 LEU 41 HD12 LEU 41 10.358 -9.738 -3.586 303 HD13 LEU 41 HD13 LEU 41 10.368 -8.649 -2.182 304 HD21 LEU 41 HD21 LEU 41 10.369 -10.595 -0.617 305 HD22 LEU 41 HD22 LEU 41 10.434 -11.647 -2.047 306 HD23 LEU 41 HD23 LEU 41 9.177 -11.896 -0.828 307 H GLU 42 H GLU 42 4.477 -8.969 -0.600 308 HA GLU 42 HA GLU 42 4.311 -8.837 2.362 309 HB2 GLU 42 HB2 GLU 42 3.145 -6.740 2.158 310 HB3 GLU 42 HB3 GLU 42 4.748 -6.625 1.418 311 HG2 GLU 42 HG2 GLU 42 3.737 -6.782 -0.827 312 HG3 GLU 42 HG3 GLU 42 2.136 -6.975 -0.112 313 H THR 43 H THR 43 1.968 -8.435 3.051 314 HA THR 43 HA THR 43 0.324 -10.616 2.508 315 HB THR 43 HB THR 43 -0.552 -7.888 3.523 316 HG1 THR 43 HG1 THR 43 0.611 -10.015 4.990 317 HG21 THR 43 HG21 THR 43 -2.432 -9.469 3.374 318 HG22 THR 43 HG22 THR 43 -1.986 -9.203 5.064 319 HG23 THR 43 HG23 THR 43 -1.489 -10.701 4.245 320 H SER 44 H SER 44 0.564 -7.666 0.730 321 HA SER 44 HA SER 44 -0.619 -6.621 -0.910 322 HB2 SER 44 HB2 SER 44 0.661 -8.496 -1.978 323 HB3 SER 44 HB3 SER 44 -0.864 -9.397 -2.081 324 HG SER 44 HG SER 44 -0.424 -8.131 -3.975 325 H LEU 45 H LEU 45 -2.223 -6.193 0.674 326 HA LEU 45 HA LEU 45 -4.657 -7.449 1.131 327 HB2 LEU 45 HB2 LEU 45 -4.137 -4.450 1.061 328 HB3 LEU 45 HB3 LEU 45 -5.490 -5.210 1.862 329 HG LEU 45 HG LEU 45 -3.339 -6.557 3.034 330 HD11 LEU 45 HD11 LEU 45 -1.645 -5.105 1.908 331 HD12 LEU 45 HD12 LEU 45 -1.680 -4.792 3.638 332 HD13 LEU 45 HD13 LEU 45 -2.472 -3.665 2.529 333 HD21 LEU 45 HD21 LEU 45 -3.635 -4.981 4.944 334 HD22 LEU 45 HD22 LEU 45 -5.166 -5.560 4.297 335 HD23 LEU 45 HD23 LEU 45 -4.613 -3.941 3.875 336 H SER 46 H SER 46 -5.961 -8.234 -0.349 337 HA SER 46 HA SER 46 -7.226 -6.522 -2.407 338 HB2 SER 46 HB2 SER 46 -5.113 -7.262 -3.468 339 HB3 SER 46 HB3 SER 46 -5.532 -8.948 -3.148 340 HG SER 46 HG SER 46 -6.868 -7.091 -4.857 341 H ALA 47 H ALA 47 -6.790 -10.038 -1.780 342 HA ALA 47 HA ALA 47 -9.744 -10.429 -1.825 343 HB1 ALA 47 HB1 ALA 47 -9.186 -12.771 -2.306 344 HB2 ALA 47 HB2 ALA 47 -8.453 -11.676 -3.493 345 HB3 ALA 47 HB3 ALA 47 -7.451 -12.396 -2.212 346 H GLY 48 H GLY 48 -10.704 -10.536 0.091 347 HA2 GLY 48 HA2 GLY 48 -11.204 -11.187 2.258 348 HA3 GLY 48 HA3 GLY 48 -9.786 -12.228 2.256 349 H SER 49 H SER 49 -9.009 -8.917 1.542 350 HA SER 49 HA SER 49 -8.082 -8.419 4.342 351 HB2 SER 49 HB2 SER 49 -7.027 -7.374 1.695 352 HB3 SER 49 HB3 SER 49 -6.407 -6.969 3.297 353 HG SER 49 HG SER 49 -6.542 -9.648 2.345 354 H ASP 50 H ASP 50 -7.830 -5.925 4.697 355 HA ASP 50 HA ASP 50 -9.828 -4.272 3.401 356 HB2 ASP 50 HB2 ASP 50 -11.111 -3.871 5.496 357 HB3 ASP 50 HB3 ASP 50 -11.300 -5.489 4.856 358 H TRP 51 H TRP 51 -9.968 -2.216 4.332 359 HA TRP 51 HA TRP 51 -7.607 -0.751 4.708 360 HB2 TRP 51 HB2 TRP 51 -9.282 0.577 3.990 361 HB3 TRP 51 HB3 TRP 51 -10.522 -0.259 4.890 362 HD1 TRP 51 HD1 TRP 51 -11.358 0.773 7.063 363 HE1 TRP 51 HE1 TRP 51 -10.809 2.905 8.411 364 HE3 TRP 51 HE3 TRP 51 -6.970 2.068 4.788 365 HZ2 TRP 51 HZ2 TRP 51 -8.708 4.871 8.514 366 HZ3 TRP 51 HZ3 TRP 51 -5.688 4.054 5.551 367 HH2 TRP 51 HH2 TRP 51 -6.561 5.477 7.394 368 H LEU 52 H LEU 52 -9.593 -2.290 7.218 369 HA LEU 52 HA LEU 52 -8.489 -0.803 9.421 370 HB2 LEU 52 HB2 LEU 52 -10.607 -2.542 9.115 371 HB3 LEU 52 HB3 LEU 52 -9.452 -3.569 9.938 372 HG LEU 52 HG LEU 52 -10.956 -2.541 11.497 373 HD11 LEU 52 HD11 LEU 52 -9.434 -1.535 13.089 374 HD12 LEU 52 HD12 LEU 52 -8.262 -1.160 11.811 375 HD13 LEU 52 HD13 LEU 52 -8.603 -2.853 12.243 376 HD21 LEU 52 HD21 LEU 52 -11.561 -0.532 10.196 377 HD22 LEU 52 HD22 LEU 52 -10.000 0.207 10.616 378 HD23 LEU 52 HD23 LEU 52 -11.175 -0.175 11.886 379 H THR 53 H THR 53 -7.615 -3.985 7.951 380 HA THR 53 HA THR 53 -5.213 -4.193 9.622 381 HB THR 53 HB THR 53 -4.619 -6.105 8.226 382 HG1 THR 53 HG1 THR 53 -6.163 -6.878 6.759 383 HG21 THR 53 HG21 THR 53 -7.513 -6.203 9.165 384 HG22 THR 53 HG22 THR 53 -6.084 -6.387 10.208 385 HG23 THR 53 HG23 THR 53 -6.418 -7.584 8.944 386 H PHE 54 H PHE 54 -5.871 -2.831 6.430 387 HA PHE 54 HA PHE 54 -3.308 -2.606 5.326 388 HB2 PHE 54 HB2 PHE 54 -5.315 -1.886 4.143 389 HB3 PHE 54 HB3 PHE 54 -5.615 -0.649 5.347 390 HD1 PHE 54 HD2 PHE 54 -3.581 -1.550 2.432 391 HD2 PHE 54 HD1 PHE 54 -4.539 1.475 5.346 392 HE1 PHE 54 HE2 PHE 54 -2.296 0.152 1.128 393 HE2 PHE 54 HE1 PHE 54 -3.329 3.169 3.992 394 HZ PHE 54 HZ PHE 54 -2.140 2.486 1.927 395 H GLN 55 H GLN 55 -4.781 -0.410 7.695 396 HA GLN 55 HA GLN 55 -2.620 1.416 8.010 397 HB2 GLN 55 HB2 GLN 55 -4.729 0.436 9.967 398 HB3 GLN 55 HB3 GLN 55 -3.631 1.777 10.317 399 HG2 GLN 55 HG2 GLN 55 -4.597 3.181 8.691 400 HG3 GLN 55 HG3 GLN 55 -5.320 1.834 7.802 401 HE21 GLN 55 HE21 GLN 55 -7.257 0.906 8.480 402 HE22 GLN 55 HE22 GLN 55 -8.224 1.674 9.731 403 H LYS 56 H LYS 56 -3.422 -1.343 10.117 404 HA LYS 56 HA LYS 56 -0.976 -1.279 11.628 405 HB2 LYS 56 HB2 LYS 56 -2.809 -3.670 11.131 406 HB3 LYS 56 HB3 LYS 56 -1.439 -3.667 12.220 407 HG2 LYS 56 HG2 LYS 56 -3.112 -3.273 13.693 408 HG3 LYS 56 HG3 LYS 56 -2.546 -1.631 13.390 409 HD2 LYS 56 HD2 LYS 56 -4.441 -1.304 11.794 410 HD3 LYS 56 HD3 LYS 56 -4.987 -2.956 12.100 411 HE2 LYS 56 HE2 LYS 56 -4.794 -0.716 14.168 412 HE3 LYS 56 HE3 LYS 56 -6.265 -1.181 13.310 413 HZ1 LYS 56 HZ1 LYS 56 -4.756 -2.945 15.167 414 HZ2 LYS 56 HZ2 LYS 56 -6.100 -3.387 14.342 415 HZ3 LYS 56 HZ3 LYS 56 -6.183 -2.225 15.484 416 H LYS 57 H LYS 57 -1.483 -2.658 8.482 417 HA LYS 57 HA LYS 57 0.821 -4.358 8.375 418 HB2 LYS 57 HB2 LYS 57 -1.298 -3.476 6.567 419 HB3 LYS 57 HB3 LYS 57 0.231 -3.422 5.714 420 HG2 LYS 57 HG2 LYS 57 -0.741 -5.823 7.319 421 HG3 LYS 57 HG3 LYS 57 -1.006 -5.627 5.594 422 HD2 LYS 57 HD2 LYS 57 1.047 -6.349 5.075 423 HD3 LYS 57 HD3 LYS 57 1.814 -5.166 6.136 424 HE2 LYS 57 HE2 LYS 57 1.437 -6.650 8.094 425 HE3 LYS 57 HE3 LYS 57 0.631 -7.831 7.047 426 HZ1 LYS 57 HZ1 LYS 57 2.677 -8.154 5.859 427 HZ2 LYS 57 HZ2 LYS 57 2.975 -8.386 7.445 428 HZ3 LYS 57 HZ3 LYS 57 3.465 -6.996 6.726 429 H HIS 58 H HIS 58 0.487 -1.088 7.059 430 HA HIS 58 HA HIS 58 3.431 -0.662 7.238 431 HB2 HIS 58 HB2 HIS 58 3.371 0.051 4.762 432 HB3 HIS 58 HB3 HIS 58 3.492 -1.617 5.239 433 HD1 HIS 58 HD1 HIS 58 2.620 -2.534 2.941 434 HD2 HIS 58 HD2 HIS 58 -0.095 -0.061 5.055 435 HE1 HIS 58 HE1 HIS 58 0.350 -2.813 1.821 436 HE2 HIS 58 HE2 HIS 58 -1.289 -1.250 3.105 437 H ILE 59 H ILE 59 1.066 0.628 8.483 438 HA ILE 59 HA ILE 59 2.015 3.429 8.038 439 HB ILE 59 HB ILE 59 -0.905 2.759 8.549 440 HG12 ILE 59 HG12 ILE 59 0.633 3.313 6.010 441 HG13 ILE 59 HG13 ILE 59 -0.604 2.109 6.317 442 HG21 ILE 59 HG21 ILE 59 -1.311 5.145 8.210 443 HG22 ILE 59 HG22 ILE 59 -0.187 4.937 9.516 444 HG23 ILE 59 HG23 ILE 59 0.420 5.416 7.910 445 HD11 ILE 59 HD11 ILE 59 -1.059 5.098 5.919 446 HD12 ILE 59 HD12 ILE 59 -1.369 3.812 4.763 447 HD13 ILE 59 HD13 ILE 59 -2.332 3.890 6.264 448 H THR 60 H THR 60 2.117 4.708 9.877 449 HA THR 60 HA THR 60 1.273 3.544 12.474 450 HB THR 60 HB THR 60 3.576 2.779 12.287 451 HG1 THR 60 HG1 THR 60 4.271 3.872 14.246 452 HG21 THR 60 HG21 THR 60 4.405 5.718 12.229 453 HG22 THR 60 HG22 THR 60 4.551 4.585 10.867 454 HG23 THR 60 HG23 THR 60 5.471 4.303 12.350 455 H ASN 61 H ASN 61 1.034 4.999 14.184 456 HA ASN 61 HA ASN 61 0.576 7.824 13.463 457 HB2 ASN 61 HB2 ASN 61 -0.563 7.905 15.602 458 HB3 ASN 61 HB3 ASN 61 -1.191 6.576 14.646 459 HD21 ASN 61 HD21 ASN 61 -1.076 4.459 15.545 460 HD22 ASN 61 HD22 ASN 61 -0.306 4.175 17.101 461 H THR 62 H THR 62 3.171 5.982 14.526 462 HA THR 62 HA THR 62 4.763 8.313 15.206 463 HB THR 62 HB THR 62 3.762 7.996 17.371 464 HG1 THR 62 HG1 THR 62 5.675 7.713 18.527 465 HG21 THR 62 HG21 THR 62 4.930 5.197 17.565 466 HG22 THR 62 HG22 THR 62 3.220 5.521 17.211 467 HG23 THR 62 HG23 THR 62 3.930 6.060 18.743 468 H ARG 63 H ARG 63 6.631 7.944 14.080 469 HA ARG 63 HA ARG 63 7.461 5.257 13.344 470 HB2 ARG 63 HB2 ARG 63 7.943 7.249 11.925 471 HB3 ARG 63 HB3 ARG 63 9.083 7.820 13.161 472 HG2 ARG 63 HG2 ARG 63 10.314 5.583 12.919 473 HG3 ARG 63 HG3 ARG 63 9.179 5.172 11.629 474 HD2 ARG 63 HD2 ARG 63 11.148 5.921 10.594 475 HD3 ARG 63 HD3 ARG 63 9.962 7.212 10.383 476 HE ARG 63 HE ARG 63 12.317 7.184 12.251 477 HH11 ARG 63 HH11 ARG 63 9.863 9.171 10.750 478 HH12 ARG 63 HH12 ARG 63 10.582 10.647 11.337 479 HH21 ARG 63 HH21 ARG 63 13.179 9.077 12.953 480 HH22 ARG 63 HH22 ARG 63 12.414 10.583 12.550 481 H ASP 64 H ASP 64 7.778 4.022 15.067 482 HA ASP 64 HA ASP 64 10.045 4.635 16.907 483 HB2 ASP 64 HB2 ASP 64 7.744 4.059 17.792 484 HB3 ASP 64 HB3 ASP 64 7.940 2.450 17.101 485 H VAL 65 H VAL 65 9.854 3.328 13.993 486 HA VAL 65 HA VAL 65 11.223 0.763 14.302 487 HB VAL 65 HB VAL 65 10.559 2.513 11.903 488 HG11 VAL 65 HG11 VAL 65 11.151 0.572 10.500 489 HG12 VAL 65 HG12 VAL 65 12.556 1.228 11.303 490 HG13 VAL 65 HG13 VAL 65 11.801 -0.272 11.917 491 HG21 VAL 65 HG21 VAL 65 8.631 1.406 13.035 492 HG22 VAL 65 HG22 VAL 65 8.918 0.735 11.435 493 HG23 VAL 65 HG23 VAL 65 9.444 -0.163 12.872 494 H ASP 66 H ASP 66 13.316 0.333 14.209 495 HA ASP 66 HA ASP 66 15.311 2.433 13.437 496 HB2 ASP 66 HB2 ASP 66 15.080 1.952 15.921 497 HB3 ASP 66 HB3 ASP 66 15.666 0.322 15.583 498 H CYS 67 H CYS 67 14.004 -0.240 12.267 499 HA CYS 67 HA CYS 67 14.526 -2.040 11.000 500 HB2 CYS 67 HB2 CYS 67 16.839 -0.376 10.016 501 HB3 CYS 67 HB3 CYS 67 15.913 -1.599 9.141 502 H ASP 68 H ASP 68 15.427 -2.319 13.537 503 HA ASP 68 HA ASP 68 17.598 -4.309 13.430 504 HB2 ASP 68 HB2 ASP 68 18.623 -2.000 13.771 505 HB3 ASP 68 HB3 ASP 68 17.728 -1.898 15.289 506 H ASN 69 H ASN 69 15.010 -2.685 15.242 507 HA ASN 69 HA ASN 69 14.782 -4.982 17.109 508 HB2 ASN 69 HB2 ASN 69 13.683 -3.366 18.612 509 HB3 ASN 69 HB3 ASN 69 15.365 -3.016 18.228 510 HD21 ASN 69 HD21 ASN 69 12.316 -2.055 16.397 511 HD22 ASN 69 HD22 ASN 69 12.724 -0.365 16.641 512 H ILE 70 H ILE 70 13.380 -4.138 14.300 513 HA ILE 70 HA ILE 70 10.570 -4.466 14.818 514 HB ILE 70 HB ILE 70 10.346 -4.822 12.447 515 HG12 ILE 70 HG12 ILE 70 13.366 -5.235 12.451 516 HG13 ILE 70 HG13 ILE 70 12.103 -6.340 11.884 517 HG21 ILE 70 HG21 ILE 70 11.168 -2.679 11.737 518 HG22 ILE 70 HG22 ILE 70 10.766 -2.551 13.449 519 HG23 ILE 70 HG23 ILE 70 12.468 -2.694 12.951 520 HD11 ILE 70 HD11 ILE 70 13.171 -5.407 9.973 521 HD12 ILE 70 HD12 ILE 70 11.554 -4.667 10.082 522 HD13 ILE 70 HD13 ILE 70 13.002 -3.756 10.605 523 H MET 71 H MET 71 13.037 -6.676 15.135 524 HA MET 71 HA MET 71 11.748 -9.219 14.811 525 HB2 MET 71 HB2 MET 71 14.148 -8.819 15.350 526 HB3 MET 71 HB3 MET 71 13.689 -8.311 16.976 527 HG2 MET 71 HG2 MET 71 12.809 -10.554 17.443 528 HG3 MET 71 HG3 MET 71 13.128 -11.052 15.774 529 HE1 MET 71 HE1 MET 71 15.695 -13.102 17.967 530 HE2 MET 71 HE2 MET 71 14.066 -12.587 18.456 531 HE3 MET 71 HE3 MET 71 14.348 -13.200 16.809 532 H SER 72 H SER 72 11.282 -6.657 17.182 533 HA SER 72 HA SER 72 9.555 -8.282 18.942 534 HB2 SER 72 HB2 SER 72 11.350 -6.625 19.704 535 HB3 SER 72 HB3 SER 72 10.250 -5.338 19.185 536 HG SER 72 HG SER 72 8.670 -6.313 20.623 537 H THR 73 H THR 73 8.930 -6.717 16.050 538 HA THR 73 HA THR 73 6.175 -5.867 16.862 539 HB THR 73 HB THR 73 6.141 -4.259 15.118 540 HG1 THR 73 HG1 THR 73 8.031 -3.919 13.848 541 HG21 THR 73 HG21 THR 73 7.851 -2.665 15.754 542 HG22 THR 73 HG22 THR 73 8.852 -3.940 16.475 543 HG23 THR 73 HG23 THR 73 7.287 -3.514 17.204 544 H ASN 74 H ASN 74 4.829 -5.791 14.581 545 HA ASN 74 HA ASN 74 4.351 -8.529 13.866 546 HB2 ASN 74 HB2 ASN 74 3.496 -6.042 12.317 547 HB3 ASN 74 HB3 ASN 74 2.749 -7.631 12.276 548 HD21 ASN 74 HD21 ASN 74 2.563 -4.561 13.661 549 HD22 ASN 74 HD22 ASN 74 1.463 -4.996 14.963 550 H LEU 75 H LEU 75 6.732 -6.377 12.681 551 HA LEU 75 HA LEU 75 6.741 -7.386 9.918 552 HB2 LEU 75 HB2 LEU 75 8.226 -5.088 11.242 553 HB3 LEU 75 HB3 LEU 75 8.147 -5.425 9.533 554 HG LEU 75 HG LEU 75 6.710 -3.722 9.662 555 HD11 LEU 75 HD11 LEU 75 4.461 -4.455 9.266 556 HD12 LEU 75 HD12 LEU 75 4.747 -5.992 10.090 557 HD13 LEU 75 HD13 LEU 75 5.583 -5.635 8.561 558 HD21 LEU 75 HD21 LEU 75 6.630 -3.399 12.058 559 HD22 LEU 75 HD22 LEU 75 5.452 -4.716 12.228 560 HD23 LEU 75 HD23 LEU 75 5.026 -3.250 11.331 561 H PHE 76 H PHE 76 7.943 -8.951 12.193 562 HA PHE 76 HA PHE 76 10.799 -8.959 12.133 563 HB2 PHE 76 HB2 PHE 76 10.599 -10.805 13.619 564 HB3 PHE 76 HB3 PHE 76 9.350 -9.648 14.044 565 HD1 PHE 76 HD1 PHE 76 6.932 -10.175 13.536 566 HD2 PHE 76 HD2 PHE 76 10.078 -13.027 12.828 567 HE1 PHE 76 HE1 PHE 76 5.252 -11.992 13.446 568 HE2 PHE 76 HE2 PHE 76 8.393 -14.854 12.731 569 HZ PHE 76 HZ PHE 76 5.980 -14.342 13.054 570 H HIS 77 H HIS 77 8.677 -10.115 9.901 571 HA HIS 77 HA HIS 77 9.484 -12.730 9.215 572 HB2 HIS 77 HB2 HIS 77 8.159 -10.549 7.559 573 HB3 HIS 77 HB3 HIS 77 8.172 -12.265 7.125 574 HD1 HIS 77 HD1 HIS 77 6.991 -13.896 9.203 575 HD2 HIS 77 HD2 HIS 77 6.111 -9.766 8.947 576 HE1 HIS 77 HE1 HIS 77 4.857 -13.510 10.592 577 HE2 HIS 77 HE2 HIS 77 4.355 -10.975 10.454 578 H CYS 78 H CYS 78 11.567 -10.300 8.963 579 HA CYS 78 HA CYS 78 13.440 -9.745 7.738 580 HB2 CYS 78 HB2 CYS 78 13.822 -12.173 8.475 581 HB3 CYS 78 HB3 CYS 78 13.525 -12.604 6.795 582 H LYS 79 H LYS 79 10.925 -9.393 6.352 583 HA LYS 79 HA LYS 79 11.106 -9.995 3.553 584 HB2 LYS 79 HB2 LYS 79 9.342 -8.201 3.319 585 HB3 LYS 79 HB3 LYS 79 8.986 -9.548 4.382 586 HG2 LYS 79 HG2 LYS 79 8.154 -7.633 5.458 587 HG3 LYS 79 HG3 LYS 79 9.560 -8.141 6.370 588 HD2 LYS 79 HD2 LYS 79 10.351 -6.212 4.330 589 HD3 LYS 79 HD3 LYS 79 8.964 -5.598 5.182 590 HE2 LYS 79 HE2 LYS 79 11.546 -6.550 6.528 591 HE3 LYS 79 HE3 LYS 79 11.199 -4.878 6.098 592 HZ1 LYS 79 HZ1 LYS 79 9.190 -5.049 7.567 593 HZ2 LYS 79 HZ2 LYS 79 10.619 -5.171 8.361 594 HZ3 LYS 79 HZ3 LYS 79 9.740 -6.512 8.107 595 H ASP 80 H ASP 80 11.442 -8.559 1.780 596 HA ASP 80 HA ASP 80 14.077 -7.550 1.886 597 HB2 ASP 80 HB2 ASP 80 13.931 -7.198 -0.409 598 HB3 ASP 80 HB3 ASP 80 12.930 -8.607 -0.083 599 H LYS 81 H LYS 81 11.043 -5.740 1.890 600 HA LYS 81 HA LYS 81 12.307 -3.611 3.367 601 HB2 LYS 81 HB2 LYS 81 11.565 -1.737 1.825 602 HB3 LYS 81 HB3 LYS 81 12.939 -2.660 1.258 603 HG2 LYS 81 HG2 LYS 81 11.741 -3.796 -0.373 604 HG3 LYS 81 HG3 LYS 81 10.156 -3.362 0.288 605 HD2 LYS 81 HD2 LYS 81 12.134 -1.398 -0.941 606 HD3 LYS 81 HD3 LYS 81 10.799 -2.124 -1.820 607 HE2 LYS 81 HE2 LYS 81 10.432 -0.403 0.680 608 HE3 LYS 81 HE3 LYS 81 10.446 0.246 -0.951 609 HZ1 LYS 81 HZ1 LYS 81 8.208 -0.185 -0.168 610 HZ2 LYS 81 HZ2 LYS 81 8.502 -1.790 -0.010 611 HZ3 LYS 81 HZ3 LYS 81 8.524 -1.092 -1.496 612 H ASN 82 H ASN 82 10.835 -2.037 4.214 613 HA ASN 82 HA ASN 82 7.943 -2.438 3.652 614 HB2 ASN 82 HB2 ASN 82 8.521 -3.536 5.857 615 HB3 ASN 82 HB3 ASN 82 8.944 -1.940 6.481 616 HD21 ASN 82 HD21 ASN 82 6.744 -3.878 7.291 617 HD22 ASN 82 HD22 ASN 82 5.311 -2.879 7.174 618 H THR 83 H THR 83 7.065 -0.609 2.998 619 HA THR 83 HA THR 83 8.403 2.006 3.402 620 HB THR 83 HB THR 83 5.904 1.286 1.800 621 HG1 THR 83 HG1 THR 83 8.595 1.735 1.028 622 HG21 THR 83 HG21 THR 83 6.005 3.663 2.453 623 HG22 THR 83 HG22 THR 83 6.340 3.467 0.727 624 HG23 THR 83 HG23 THR 83 7.678 3.767 1.876 625 H PHE 84 H PHE 84 8.010 2.540 5.550 626 HA PHE 84 HA PHE 84 5.287 2.325 6.675 627 HB2 PHE 84 HB2 PHE 84 7.792 3.495 7.892 628 HB3 PHE 84 HB3 PHE 84 6.253 3.294 8.705 629 HD1 PHE 84 HD2 PHE 84 5.265 0.772 8.544 630 HD2 PHE 84 HD1 PHE 84 9.427 1.908 8.316 631 HE1 PHE 84 HE2 PHE 84 5.920 -1.475 9.362 632 HE2 PHE 84 HE1 PHE 84 10.074 -0.436 8.922 633 HZ PHE 84 HZ PHE 84 8.331 -2.086 9.548 634 H ILE 85 H ILE 85 3.810 3.859 6.575 635 HA ILE 85 HA ILE 85 4.511 6.667 5.821 636 HB ILE 85 HB ILE 85 1.909 5.112 5.929 637 HG12 ILE 85 HG12 ILE 85 3.203 6.354 3.467 638 HG13 ILE 85 HG13 ILE 85 3.601 4.719 3.981 639 HG21 ILE 85 HG21 ILE 85 2.341 8.013 5.100 640 HG22 ILE 85 HG22 ILE 85 0.820 7.101 4.940 641 HG23 ILE 85 HG23 ILE 85 1.461 7.443 6.536 642 HD11 ILE 85 HD11 ILE 85 0.814 5.664 3.231 643 HD12 ILE 85 HD12 ILE 85 1.884 4.611 2.290 644 HD13 ILE 85 HD13 ILE 85 1.236 4.048 3.843 645 H TYR 86 H TYR 86 4.941 7.962 7.557 646 HA TYR 86 HA TYR 86 3.580 7.481 10.150 647 HB2 TYR 86 HB2 TYR 86 5.896 7.730 10.336 648 HB3 TYR 86 HB3 TYR 86 5.900 9.168 9.344 649 HD1 TYR 86 HD2 TYR 86 3.304 8.805 12.016 650 HD2 TYR 86 HD1 TYR 86 7.220 10.350 11.017 651 HE1 TYR 86 HE2 TYR 86 3.200 10.340 13.932 652 HE2 TYR 86 HE1 TYR 86 7.125 11.841 13.006 653 HH TYR 86 HH TYR 86 4.262 11.954 15.157 654 H SER 87 H SER 87 1.518 7.911 9.618 655 HA SER 87 HA SER 87 0.699 10.763 9.444 656 HB2 SER 87 HB2 SER 87 -0.345 8.569 7.594 657 HB3 SER 87 HB3 SER 87 -1.009 10.205 7.724 658 HG SER 87 HG SER 87 0.429 10.052 5.991 659 H ARG 88 H ARG 88 -1.651 11.025 9.844 660 HA ARG 88 HA ARG 88 -2.890 9.145 11.769 661 HB2 ARG 88 HB2 ARG 88 -3.615 11.844 10.531 662 HB3 ARG 88 HB3 ARG 88 -4.832 10.876 11.358 663 HG2 ARG 88 HG2 ARG 88 -3.430 10.798 13.397 664 HG3 ARG 88 HG3 ARG 88 -2.223 11.841 12.609 665 HD2 ARG 88 HD2 ARG 88 -3.764 13.677 12.479 666 HD3 ARG 88 HD3 ARG 88 -5.142 12.623 12.825 667 HE ARG 88 HE ARG 88 -3.133 12.736 14.966 668 HH11 ARG 88 HH11 ARG 88 -6.138 14.165 13.854 669 HH12 ARG 88 HH12 ARG 88 -6.497 14.830 15.424 670 HH21 ARG 88 HH21 ARG 88 -3.687 13.535 16.941 671 HH22 ARG 88 HH22 ARG 88 -5.150 14.455 17.132 672 HA PRO 89 HA PRO 89 -5.191 7.016 8.604 673 HB2 PRO 89 HB2 PRO 89 -7.617 6.485 9.756 674 HB3 PRO 89 HB3 PRO 89 -6.085 5.715 10.273 675 HG2 PRO 89 HG2 PRO 89 -7.465 8.121 11.506 676 HG3 PRO 89 HG3 PRO 89 -6.858 6.649 12.334 677 HD2 PRO 89 HD2 PRO 89 -5.382 8.919 12.229 678 HD3 PRO 89 HD3 PRO 89 -4.607 7.317 12.072 679 H GLU 90 H GLU 90 -6.546 10.029 9.837 680 HA GLU 90 HA GLU 90 -8.840 10.258 8.173 681 HB2 GLU 90 HB2 GLU 90 -7.137 12.376 9.527 682 HB3 GLU 90 HB3 GLU 90 -8.636 12.720 8.656 683 HG2 GLU 90 HG2 GLU 90 -9.882 11.243 10.184 684 HG3 GLU 90 HG3 GLU 90 -8.387 10.832 11.041 685 HA PRO 91 HA PRO 91 -6.381 12.676 4.867 686 HB2 PRO 91 HB2 PRO 91 -3.636 12.687 4.838 687 HB3 PRO 91 HB3 PRO 91 -4.598 13.876 5.762 688 HG2 PRO 91 HG2 PRO 91 -3.308 11.316 6.752 689 HG3 PRO 91 HG3 PRO 91 -3.229 12.950 7.491 690 HD2 PRO 91 HD2 PRO 91 -4.967 11.076 8.356 691 HD3 PRO 91 HD3 PRO 91 -5.437 12.785 8.300 692 H VAL 92 H VAL 92 -5.879 9.558 5.843 693 HA VAL 92 HA VAL 92 -4.870 8.552 3.199 694 HB VAL 92 HB VAL 92 -5.339 6.965 5.755 695 HG11 VAL 92 HG11 VAL 92 -3.681 6.410 3.254 696 HG12 VAL 92 HG12 VAL 92 -3.784 5.369 4.688 697 HG13 VAL 92 HG13 VAL 92 -5.218 5.631 3.686 698 HG21 VAL 92 HG21 VAL 92 -2.960 7.064 6.234 699 HG22 VAL 92 HG22 VAL 92 -2.669 8.083 4.820 700 HG23 VAL 92 HG23 VAL 92 -3.572 8.711 6.202 701 H LYS 93 H LYS 93 -7.494 7.920 5.556 702 HA LYS 93 HA LYS 93 -9.044 6.385 3.687 703 HB2 LYS 93 HB2 LYS 93 -9.197 6.691 6.378 704 HB3 LYS 93 HB3 LYS 93 -10.493 7.793 5.899 705 HG2 LYS 93 HG2 LYS 93 -11.137 5.717 4.299 706 HG3 LYS 93 HG3 LYS 93 -10.255 4.802 5.522 707 HD2 LYS 93 HD2 LYS 93 -12.705 6.575 6.011 708 HD3 LYS 93 HD3 LYS 93 -12.694 4.826 5.803 709 HE2 LYS 93 HE2 LYS 93 -12.837 4.972 8.060 710 HE3 LYS 93 HE3 LYS 93 -11.116 4.697 7.791 711 HZ1 LYS 93 HZ1 LYS 93 -10.745 7.080 8.159 712 HZ2 LYS 93 HZ2 LYS 93 -11.524 6.431 9.438 713 HZ3 LYS 93 HZ3 LYS 93 -12.353 7.336 8.366 714 H ALA 94 H ALA 94 -9.242 9.812 4.586 715 HA ALA 94 HA ALA 94 -11.706 10.283 3.159 716 HB1 ALA 94 HB1 ALA 94 -11.404 12.574 3.876 717 HB2 ALA 94 HB2 ALA 94 -10.986 11.488 5.216 718 HB3 ALA 94 HB3 ALA 94 -9.698 12.276 4.265 719 H ILE 95 H ILE 95 -8.587 9.968 1.896 720 HA ILE 95 HA ILE 95 -8.512 11.852 -0.201 721 HB ILE 95 HB ILE 95 -7.686 8.932 -0.411 722 HG12 ILE 95 HG12 ILE 95 -5.924 11.283 0.426 723 HG13 ILE 95 HG13 ILE 95 -6.661 10.168 1.567 724 HG21 ILE 95 HG21 ILE 95 -6.620 11.392 -1.890 725 HG22 ILE 95 HG22 ILE 95 -6.130 9.701 -2.140 726 HG23 ILE 95 HG23 ILE 95 -7.742 10.214 -2.586 727 HD11 ILE 95 HD11 ILE 95 -5.472 8.255 0.505 728 HD12 ILE 95 HD12 ILE 95 -4.608 9.408 -0.541 729 HD13 ILE 95 HD13 ILE 95 -4.402 9.473 1.212 730 H CYS 96 H CYS 96 -10.464 8.931 0.145 731 HA CYS 96 HA CYS 96 -11.960 9.579 -2.360 732 HB2 CYS 96 HB2 CYS 96 -12.686 7.232 -2.315 733 HB3 CYS 96 HB3 CYS 96 -10.954 7.437 -2.576 734 H LYS 97 H LYS 97 -14.197 9.279 -2.349 735 HA LYS 97 HA LYS 97 -15.714 8.872 0.110 736 HB2 LYS 97 HB2 LYS 97 -15.051 11.359 0.099 737 HB3 LYS 97 HB3 LYS 97 -16.032 11.536 -1.347 738 HG2 LYS 97 HG2 LYS 97 -17.386 12.232 0.465 739 HG3 LYS 97 HG3 LYS 97 -18.015 10.644 0.018 740 HD2 LYS 97 HD2 LYS 97 -16.765 9.622 1.923 741 HD3 LYS 97 HD3 LYS 97 -16.076 11.211 2.315 742 HE2 LYS 97 HE2 LYS 97 -18.382 12.092 2.685 743 HE3 LYS 97 HE3 LYS 97 -19.043 10.490 2.335 744 HZ1 LYS 97 HZ1 LYS 97 -17.802 9.638 4.264 745 HZ2 LYS 97 HZ2 LYS 97 -18.801 10.842 4.725 746 HZ3 LYS 97 HZ3 LYS 97 -17.202 11.125 4.584 747 H GLY 98 H GLY 98 -17.170 7.455 -0.549 748 HA2 GLY 98 HA2 GLY 98 -19.066 6.629 -1.657 749 HA3 GLY 98 HA3 GLY 98 -18.984 7.958 -2.802 750 H ILE 99 H ILE 99 -15.955 6.507 -2.715 751 HA ILE 99 HA ILE 99 -16.290 5.385 -5.374 752 HB ILE 99 HB ILE 99 -13.860 5.573 -3.560 753 HG12 ILE 99 HG12 ILE 99 -14.847 7.191 -5.960 754 HG13 ILE 99 HG13 ILE 99 -14.736 7.741 -4.291 755 HG21 ILE 99 HG21 ILE 99 -14.041 4.700 -6.488 756 HG22 ILE 99 HG22 ILE 99 -12.548 5.010 -5.584 757 HG23 ILE 99 HG23 ILE 99 -13.558 3.671 -5.106 758 HD11 ILE 99 HD11 ILE 99 -12.460 7.239 -6.217 759 HD12 ILE 99 HD12 ILE 99 -12.920 8.736 -5.385 760 HD13 ILE 99 HD13 ILE 99 -12.202 7.403 -4.468 761 H ILE 100 H ILE 100 -17.039 3.501 -5.767 762 HA ILE 100 HA ILE 100 -16.430 1.116 -4.058 763 HB ILE 100 HB ILE 100 -18.627 1.267 -6.139 764 HG12 ILE 100 HG12 ILE 100 -18.781 2.087 -3.207 765 HG13 ILE 100 HG13 ILE 100 -19.112 3.105 -4.612 766 HG21 ILE 100 HG21 ILE 100 -19.587 -0.587 -4.893 767 HG22 ILE 100 HG22 ILE 100 -17.914 -0.993 -5.197 768 HG23 ILE 100 HG23 ILE 100 -18.396 -0.385 -3.595 769 HD11 ILE 100 HD11 ILE 100 -21.199 2.563 -3.635 770 HD12 ILE 100 HD12 ILE 100 -21.082 1.661 -5.161 771 HD13 ILE 100 HD13 ILE 100 -20.839 0.835 -3.599 772 H ALA 101 H ALA 101 -15.601 2.618 -6.940 773 HA ALA 101 HA ALA 101 -15.470 0.492 -8.814 774 HB1 ALA 101 HB1 ALA 101 -15.769 2.898 -9.330 775 HB2 ALA 101 HB2 ALA 101 -14.101 3.219 -8.794 776 HB3 ALA 101 HB3 ALA 101 -14.406 2.206 -10.221 777 H SER 102 H SER 102 -13.460 0.589 -6.223 778 HA SER 102 HA SER 102 -11.316 0.082 -5.687 779 HB2 SER 102 HB2 SER 102 -12.105 -2.066 -6.643 780 HB3 SER 102 HB3 SER 102 -11.224 -1.673 -8.130 781 HG SER 102 HG SER 102 -10.044 -2.926 -6.498 782 H LYS 103 H LYS 103 -10.933 2.394 -6.182 783 HA LYS 103 HA LYS 103 -8.577 2.847 -7.886 784 HB2 LYS 103 HB2 LYS 103 -10.423 3.019 -9.507 785 HB3 LYS 103 HB3 LYS 103 -11.263 4.185 -8.498 786 HG2 LYS 103 HG2 LYS 103 -8.461 4.939 -9.228 787 HG3 LYS 103 HG3 LYS 103 -9.560 4.747 -10.595 788 HD2 LYS 103 HD2 LYS 103 -11.156 6.362 -9.561 789 HD3 LYS 103 HD3 LYS 103 -10.058 6.559 -8.194 790 HE2 LYS 103 HE2 LYS 103 -9.685 8.422 -9.618 791 HE3 LYS 103 HE3 LYS 103 -8.280 7.367 -9.785 792 HZ1 LYS 103 HZ1 LYS 103 -9.231 6.550 -11.882 793 HZ2 LYS 103 HZ2 LYS 103 -9.088 8.172 -11.941 794 HZ3 LYS 103 HZ3 LYS 103 -10.553 7.498 -11.704 795 H ASN 104 H ASN 104 -7.415 4.756 -7.151 796 HA ASN 104 HA ASN 104 -8.944 6.725 -5.605 797 HB2 ASN 104 HB2 ASN 104 -7.439 4.918 -4.223 798 HB3 ASN 104 HB3 ASN 104 -6.211 6.130 -4.520 799 HD21 ASN 104 HD21 ASN 104 -7.196 5.442 -1.922 800 HD22 ASN 104 HD22 ASN 104 -7.863 6.929 -1.287 801 H VAL 105 H VAL 105 -6.928 8.471 -4.992 802 HA VAL 105 HA VAL 105 -5.320 8.960 -7.438 803 HB VAL 105 HB VAL 105 -7.289 10.447 -7.480 804 HG11 VAL 105 HG11 VAL 105 -7.692 10.755 -5.063 805 HG12 VAL 105 HG12 VAL 105 -6.193 11.703 -4.930 806 HG13 VAL 105 HG13 VAL 105 -7.544 12.298 -5.913 807 HG21 VAL 105 HG21 VAL 105 -5.147 11.150 -8.499 808 HG22 VAL 105 HG22 VAL 105 -6.135 12.507 -7.938 809 HG23 VAL 105 HG23 VAL 105 -4.727 12.003 -6.993 810 H LEU 106 H LEU 106 -3.279 9.759 -7.033 811 HA LEU 106 HA LEU 106 -1.925 9.364 -4.614 812 HB2 LEU 106 HB2 LEU 106 -0.899 9.668 -6.879 813 HB3 LEU 106 HB3 LEU 106 -1.411 11.348 -6.886 814 HG LEU 106 HG LEU 106 0.138 11.717 -4.889 815 HD11 LEU 106 HD11 LEU 106 0.243 9.269 -4.321 816 HD12 LEU 106 HD12 LEU 106 1.802 10.107 -4.354 817 HD13 LEU 106 HD13 LEU 106 1.312 9.053 -5.708 818 HD21 LEU 106 HD21 LEU 106 0.781 12.398 -7.138 819 HD22 LEU 106 HD22 LEU 106 1.338 10.756 -7.508 820 HD23 LEU 106 HD23 LEU 106 2.181 11.734 -6.283 821 H THR 107 H THR 107 -1.418 10.634 -2.835 822 HA THR 107 HA THR 107 -3.129 12.828 -2.089 823 HB THR 107 HB THR 107 -0.790 13.049 -0.515 824 HG1 THR 107 HG1 THR 107 -1.490 10.339 -0.670 825 HG21 THR 107 HG21 THR 107 -3.075 13.198 0.372 826 HG22 THR 107 HG22 THR 107 -2.215 11.890 1.208 827 HG23 THR 107 HG23 THR 107 -3.384 11.504 -0.063 828 H THR 108 H THR 108 -2.165 14.900 -1.210 829 HA THR 108 HA THR 108 -0.308 16.177 -3.202 830 HB THR 108 HB THR 108 -2.690 16.715 -3.595 831 HG1 THR 108 HG1 THR 108 -1.007 18.874 -2.852 832 HG21 THR 108 HG21 THR 108 -3.834 18.344 -2.201 833 HG22 THR 108 HG22 THR 108 -2.512 18.341 -1.020 834 HG23 THR 108 HG23 THR 108 -3.507 16.885 -1.258 835 H SER 109 H SER 109 -1.079 15.851 0.173 836 HA SER 109 HA SER 109 0.839 17.926 1.068 837 HB2 SER 109 HB2 SER 109 -0.738 15.793 2.564 838 HB3 SER 109 HB3 SER 109 0.368 16.947 3.328 839 HG SER 109 HG SER 109 -1.910 17.647 1.752 840 H GLU 110 H GLU 110 2.555 17.155 2.663 841 HA GLU 110 HA GLU 110 3.973 14.781 1.537 842 HB2 GLU 110 HB2 GLU 110 5.268 17.399 2.309 843 HB3 GLU 110 HB3 GLU 110 6.033 15.977 1.587 844 HG2 GLU 110 HG2 GLU 110 4.231 16.280 -0.304 845 HG3 GLU 110 HG3 GLU 110 4.072 17.920 0.320 846 H PHE 111 H PHE 111 3.975 13.268 2.929 847 HA PHE 111 HA PHE 111 3.968 13.746 5.853 848 HB2 PHE 111 HB2 PHE 111 3.401 11.163 4.368 849 HB3 PHE 111 HB3 PHE 111 2.920 11.607 5.996 850 HD1 PHE 111 HD2 PHE 111 2.291 12.123 2.382 851 HD2 PHE 111 HD1 PHE 111 0.808 12.825 6.366 852 HE1 PHE 111 HE2 PHE 111 0.136 12.849 1.443 853 HE2 PHE 111 HE1 PHE 111 -1.373 13.531 5.421 854 HZ PHE 111 HZ PHE 111 -1.714 13.531 2.937 855 H TYR 112 H TYR 112 5.140 11.994 7.191 856 HA TYR 112 HA TYR 112 7.913 11.850 6.237 857 HB2 TYR 112 HB2 TYR 112 6.502 11.156 8.808 858 HB3 TYR 112 HB3 TYR 112 8.171 10.662 8.513 859 HD1 TYR 112 HD1 TYR 112 9.781 12.614 7.647 860 HD2 TYR 112 HD2 TYR 112 6.151 13.191 9.913 861 HE1 TYR 112 HE1 TYR 112 10.619 14.822 8.420 862 HE2 TYR 112 HE2 TYR 112 6.998 15.412 10.684 863 HH TYR 112 HH TYR 112 10.197 16.678 9.687 864 H LEU 113 H LEU 113 8.346 10.434 4.755 865 HA LEU 113 HA LEU 113 7.194 7.683 4.841 866 HB2 LEU 113 HB2 LEU 113 8.138 9.496 2.690 867 HB3 LEU 113 HB3 LEU 113 8.652 7.833 2.501 868 HG LEU 113 HG LEU 113 6.533 8.363 1.351 869 HD11 LEU 113 HD11 LEU 113 5.349 6.348 1.940 870 HD12 LEU 113 HD12 LEU 113 6.203 6.243 3.491 871 HD13 LEU 113 HD13 LEU 113 7.097 6.072 1.964 872 HD21 LEU 113 HD21 LEU 113 4.453 8.643 2.480 873 HD22 LEU 113 HD22 LEU 113 5.560 9.893 3.069 874 HD23 LEU 113 HD23 LEU 113 5.205 8.477 4.078 875 H SER 114 H SER 114 8.196 6.097 5.620 876 HA SER 114 HA SER 114 11.142 6.208 6.143 877 HB2 SER 114 HB2 SER 114 9.907 6.632 8.158 878 HB3 SER 114 HB3 SER 114 8.857 5.254 7.875 879 HG SER 114 HG SER 114 10.347 4.474 9.262 880 H ASP 115 H ASP 115 11.698 5.072 4.281 881 HA ASP 115 HA ASP 115 10.789 2.262 3.995 882 HB2 ASP 115 HB2 ASP 115 12.675 4.036 2.410 883 HB3 ASP 115 HB3 ASP 115 12.552 2.302 2.144 884 H CYS 116 H CYS 116 12.346 0.566 4.005 885 HA CYS 116 HA CYS 116 15.114 1.036 4.750 886 HB2 CYS 116 HB2 CYS 116 13.207 0.027 6.754 887 HB3 CYS 116 HB3 CYS 116 14.506 -1.116 6.456 888 H ASN 117 H ASN 117 16.313 -0.311 3.484 889 HA ASN 117 HA ASN 117 14.912 -2.588 2.105 890 HB2 ASN 117 HB2 ASN 117 16.904 -0.512 1.114 891 HB3 ASN 117 HB3 ASN 117 16.741 -2.081 0.330 892 HD21 ASN 117 HD21 ASN 117 14.762 0.777 1.297 893 HD22 ASN 117 HD22 ASN 117 13.710 0.617 -0.106 894 H VAL 118 H VAL 118 15.876 -4.535 2.102 895 HA VAL 118 HA VAL 118 17.874 -5.175 4.053 896 HB VAL 118 HB VAL 118 16.624 -6.647 1.755 897 HG11 VAL 118 HG11 VAL 118 18.741 -7.833 3.609 898 HG12 VAL 118 HG12 VAL 118 17.679 -8.766 2.536 899 HG13 VAL 118 HG13 VAL 118 18.866 -7.673 1.834 900 HG21 VAL 118 HG21 VAL 118 15.711 -8.038 3.583 901 HG22 VAL 118 HG22 VAL 118 16.616 -7.070 4.765 902 HG23 VAL 118 HG23 VAL 118 15.326 -6.330 3.789 903 H THR 119 H THR 119 19.998 -5.804 3.939 904 HA THR 119 HA THR 119 21.486 -5.521 1.388 905 HB THR 119 HB THR 119 21.699 -3.324 2.145 906 HG1 THR 119 HG1 THR 119 23.978 -3.239 2.308 907 HG21 THR 119 HG21 THR 119 21.323 -3.570 4.558 908 HG22 THR 119 HG22 THR 119 22.731 -2.576 4.174 909 HG23 THR 119 HG23 THR 119 22.958 -4.242 4.744 910 H SER 120 H SER 120 21.612 -7.616 1.379 911 HA SER 120 HA SER 120 22.999 -9.238 3.418 912 HB2 SER 120 HB2 SER 120 21.117 -10.095 1.977 913 HB3 SER 120 HB3 SER 120 22.220 -10.024 0.585 914 HG SER 120 HG SER 120 22.214 -12.108 1.645 Start of MODEL 14 1 H1 ARG 1 H1 ARG 1 16.897 -7.344 17.634 2 H2 ARG 1 H2 ARG 1 15.921 -8.211 16.669 3 H3 ARG 1 H3 ARG 1 17.155 -8.955 17.454 4 HA ARG 1 HA ARG 1 17.491 -6.892 15.345 5 HB2 ARG 1 HB2 ARG 1 19.555 -8.528 16.866 6 HB3 ARG 1 HB3 ARG 1 19.911 -7.524 15.458 7 HG2 ARG 1 HG2 ARG 1 19.387 -5.487 16.632 8 HG3 ARG 1 HG3 ARG 1 18.572 -6.343 17.928 9 HD2 ARG 1 HD2 ARG 1 20.580 -5.638 18.845 10 HD3 ARG 1 HD3 ARG 1 20.755 -7.380 18.592 11 HE ARG 1 HE ARG 1 21.817 -6.024 16.317 12 HH11 ARG 1 HH11 ARG 1 22.609 -6.402 19.698 13 HH12 ARG 1 HH12 ARG 1 24.301 -6.074 19.446 14 HH21 ARG 1 HH21 ARG 1 24.005 -5.618 16.052 15 HH22 ARG 1 HH22 ARG 1 25.054 -5.640 17.436 16 HA PRO 2 HA PRO 2 16.188 -11.021 13.808 17 HB2 PRO 2 HB2 PRO 2 14.304 -10.343 11.946 18 HB3 PRO 2 HB3 PRO 2 14.000 -10.332 13.706 19 HG2 PRO 2 HG2 PRO 2 14.692 -7.978 11.923 20 HG3 PRO 2 HG3 PRO 2 13.410 -8.093 13.164 21 HD2 PRO 2 HD2 PRO 2 15.827 -6.931 13.675 22 HD3 PRO 2 HD3 PRO 2 14.936 -7.859 14.913 23 H CYS 3 H CYS 3 16.607 -8.377 11.461 24 HA CYS 3 HA CYS 3 18.626 -9.854 9.909 25 HB2 CYS 3 HB2 CYS 3 16.170 -8.537 8.658 26 HB3 CYS 3 HB3 CYS 3 17.517 -9.222 7.784 27 H LYS 4 H LYS 4 19.693 -8.264 8.358 28 HA LYS 4 HA LYS 4 19.873 -5.540 9.568 29 HB2 LYS 4 HB2 LYS 4 21.628 -7.009 7.576 30 HB3 LYS 4 HB3 LYS 4 21.918 -5.350 8.077 31 HG2 LYS 4 HG2 LYS 4 21.866 -7.649 10.092 32 HG3 LYS 4 HG3 LYS 4 23.289 -7.236 9.150 33 HD2 LYS 4 HD2 LYS 4 23.623 -6.165 11.187 34 HD3 LYS 4 HD3 LYS 4 23.170 -4.882 10.065 35 HE2 LYS 4 HE2 LYS 4 20.829 -4.967 11.008 36 HE3 LYS 4 HE3 LYS 4 21.355 -6.211 12.142 37 HZ1 LYS 4 HZ1 LYS 4 22.463 -3.457 11.985 38 HZ2 LYS 4 HZ2 LYS 4 22.877 -4.581 13.100 39 HZ3 LYS 4 HZ3 LYS 4 21.355 -3.951 13.074 40 H TYR 5 H TYR 5 19.554 -3.710 8.491 41 HA TYR 5 HA TYR 5 18.477 -3.761 5.728 42 HB2 TYR 5 HB2 TYR 5 17.158 -2.302 8.039 43 HB3 TYR 5 HB3 TYR 5 16.628 -2.291 6.372 44 HD1 TYR 5 HD2 TYR 5 16.916 -4.389 9.428 45 HD2 TYR 5 HD1 TYR 5 15.195 -4.058 5.482 46 HE1 TYR 5 HE2 TYR 5 15.252 -6.132 10.014 47 HE2 TYR 5 HE1 TYR 5 13.464 -5.746 6.121 48 HH TYR 5 HH TYR 5 13.432 -7.327 9.315 49 H LYS 6 H LYS 6 18.397 -1.706 4.758 50 HA LYS 6 HA LYS 6 20.621 0.141 5.451 51 HB2 LYS 6 HB2 LYS 6 18.832 -0.059 2.994 52 HB3 LYS 6 HB3 LYS 6 20.294 0.921 3.132 53 HG2 LYS 6 HG2 LYS 6 21.723 -0.919 2.917 54 HG3 LYS 6 HG3 LYS 6 20.568 -2.052 3.603 55 HD2 LYS 6 HD2 LYS 6 20.729 -2.612 1.299 56 HD3 LYS 6 HD3 LYS 6 19.151 -1.925 1.612 57 HE2 LYS 6 HE2 LYS 6 19.794 -0.931 -0.420 58 HE3 LYS 6 HE3 LYS 6 20.122 0.331 0.771 59 HZ1 LYS 6 HZ1 LYS 6 22.139 -1.522 -0.404 60 HZ2 LYS 6 HZ2 LYS 6 22.482 -0.385 0.723 61 HZ3 LYS 6 HZ3 LYS 6 21.979 0.060 -0.765 62 H LEU 7 H LEU 7 20.347 2.384 5.347 63 HA LEU 7 HA LEU 7 17.820 3.410 6.481 64 HB2 LEU 7 HB2 LEU 7 20.139 4.125 7.277 65 HB3 LEU 7 HB3 LEU 7 20.335 4.944 5.731 66 HG LEU 7 HG LEU 7 18.019 6.112 6.391 67 HD11 LEU 7 HD11 LEU 7 17.792 6.467 8.806 68 HD12 LEU 7 HD12 LEU 7 19.147 5.367 9.120 69 HD13 LEU 7 HD13 LEU 7 17.636 4.739 8.431 70 HD21 LEU 7 HD21 LEU 7 19.235 7.915 7.479 71 HD22 LEU 7 HD22 LEU 7 20.105 7.294 6.068 72 HD23 LEU 7 HD23 LEU 7 20.646 6.847 7.708 73 H LYS 8 H LYS 8 16.254 4.299 5.338 74 HA LYS 8 HA LYS 8 16.754 5.906 2.917 75 HB2 LYS 8 HB2 LYS 8 16.425 3.651 2.008 76 HB3 LYS 8 HB3 LYS 8 14.914 3.482 2.890 77 HG2 LYS 8 HG2 LYS 8 14.458 3.966 0.562 78 HG3 LYS 8 HG3 LYS 8 13.916 5.329 1.539 79 HD2 LYS 8 HD2 LYS 8 15.972 6.591 0.930 80 HD3 LYS 8 HD3 LYS 8 16.510 5.210 -0.056 81 HE2 LYS 8 HE2 LYS 8 14.424 5.406 -1.415 82 HE3 LYS 8 HE3 LYS 8 13.908 6.778 -0.426 83 HZ1 LYS 8 HZ1 LYS 8 15.868 7.996 -1.201 84 HZ2 LYS 8 HZ2 LYS 8 14.968 7.520 -2.474 85 HZ3 LYS 8 HZ3 LYS 8 16.351 6.729 -2.119 86 H LYS 9 H LYS 9 16.085 7.740 3.895 87 HA LYS 9 HA LYS 9 13.214 7.925 4.792 88 HB2 LYS 9 HB2 LYS 9 15.497 9.778 5.569 89 HB3 LYS 9 HB3 LYS 9 13.836 9.841 6.149 90 HG2 LYS 9 HG2 LYS 9 15.908 7.687 6.733 91 HG3 LYS 9 HG3 LYS 9 15.271 8.886 7.856 92 HD2 LYS 9 HD2 LYS 9 13.029 7.831 7.761 93 HD3 LYS 9 HD3 LYS 9 13.623 6.665 6.569 94 HE2 LYS 9 HE2 LYS 9 15.450 6.117 8.371 95 HE3 LYS 9 HE3 LYS 9 14.317 6.874 9.496 96 HZ1 LYS 9 HZ1 LYS 9 13.894 4.497 9.353 97 HZ2 LYS 9 HZ2 LYS 9 13.748 4.536 7.724 98 HZ3 LYS 9 HZ3 LYS 9 12.616 5.247 8.654 99 H SER 10 H SER 10 11.914 9.453 3.986 100 HA SER 10 HA SER 10 12.785 11.388 1.928 101 HB2 SER 10 HB2 SER 10 11.077 8.930 1.339 102 HB3 SER 10 HB3 SER 10 11.084 10.362 0.297 103 HG SER 10 HG SER 10 13.597 9.414 0.955 104 H THR 11 H THR 11 10.732 12.555 1.023 105 HA THR 11 HA THR 11 8.480 12.547 2.924 106 HB THR 11 HB THR 11 9.786 15.209 2.305 107 HG1 THR 11 HG1 THR 11 10.232 13.430 4.451 108 HG21 THR 11 HG21 THR 11 7.902 14.275 4.515 109 HG22 THR 11 HG22 THR 11 7.360 15.040 3.011 110 HG23 THR 11 HG23 THR 11 8.382 15.950 4.149 111 H ASN 12 H ASN 12 6.848 12.151 1.589 112 HA ASN 12 HA ASN 12 6.051 13.866 -0.511 113 HB2 ASN 12 HB2 ASN 12 6.461 12.678 -2.519 114 HB3 ASN 12 HB3 ASN 12 7.984 12.881 -1.734 115 HD21 ASN 12 HD21 ASN 12 7.841 10.577 0.096 116 HD22 ASN 12 HD22 ASN 12 7.991 9.215 -1.008 117 H LYS 13 H LYS 13 4.328 12.831 -1.933 118 HA LYS 13 HA LYS 13 2.153 11.643 -0.466 119 HB2 LYS 13 HB2 LYS 13 1.196 11.456 -2.865 120 HB3 LYS 13 HB3 LYS 13 1.485 13.034 -2.177 121 HG2 LYS 13 HG2 LYS 13 3.730 11.926 -3.792 122 HG3 LYS 13 HG3 LYS 13 2.230 12.227 -4.669 123 HD2 LYS 13 HD2 LYS 13 2.151 14.526 -4.067 124 HD3 LYS 13 HD3 LYS 13 3.393 14.351 -2.845 125 HE2 LYS 13 HE2 LYS 13 4.362 15.476 -4.740 126 HE3 LYS 13 HE3 LYS 13 5.109 13.888 -4.572 127 HZ1 LYS 13 HZ1 LYS 13 4.538 14.413 -6.884 128 HZ2 LYS 13 HZ2 LYS 13 2.955 14.548 -6.518 129 HZ3 LYS 13 HZ3 LYS 13 3.711 13.097 -6.402 130 H PHE 14 H PHE 14 0.913 9.811 -1.444 131 HA PHE 14 HA PHE 14 2.551 7.468 -2.208 132 HB2 PHE 14 HB2 PHE 14 1.363 6.104 -0.415 133 HB3 PHE 14 HB3 PHE 14 2.626 7.191 0.127 134 HD1 PHE 14 HD1 PHE 14 -1.117 6.872 -0.129 135 HD2 PHE 14 HD2 PHE 14 2.210 8.846 1.777 136 HE1 PHE 14 HE1 PHE 14 -2.681 8.042 1.399 137 HE2 PHE 14 HE2 PHE 14 0.632 9.972 3.331 138 HZ PHE 14 HZ PHE 14 -1.807 9.683 3.068 139 H CYS 15 H CYS 15 1.499 5.916 -3.347 140 HA CYS 15 HA CYS 15 -1.291 6.566 -4.222 141 HB2 CYS 15 HB2 CYS 15 0.466 6.479 -5.987 142 HB3 CYS 15 HB3 CYS 15 0.711 4.777 -5.640 143 H VAL 16 H VAL 16 -2.829 5.088 -4.202 144 HA VAL 16 HA VAL 16 -2.528 2.388 -2.984 145 HB VAL 16 HB VAL 16 -4.323 2.885 -1.302 146 HG11 VAL 16 HG11 VAL 16 -2.908 3.934 0.378 147 HG12 VAL 16 HG12 VAL 16 -2.037 2.693 -0.537 148 HG13 VAL 16 HG13 VAL 16 -1.734 4.417 -0.858 149 HG21 VAL 16 HG21 VAL 16 -3.615 5.814 -1.639 150 HG22 VAL 16 HG22 VAL 16 -5.025 5.068 -2.401 151 HG23 VAL 16 HG23 VAL 16 -4.878 5.074 -0.627 152 H THR 17 H THR 17 -4.896 1.406 -2.727 153 HA THR 17 HA THR 17 -6.620 2.283 -5.040 154 HB THR 17 HB THR 17 -6.528 -0.557 -4.057 155 HG1 THR 17 HG1 THR 17 -5.147 -0.902 -5.931 156 HG21 THR 17 HG21 THR 17 -7.348 -1.112 -6.247 157 HG22 THR 17 HG22 THR 17 -7.184 0.570 -6.776 158 HG23 THR 17 HG23 THR 17 -8.385 0.127 -5.527 159 H CYS 18 H CYS 18 -8.640 3.010 -4.397 160 HA CYS 18 HA CYS 18 -9.689 2.199 -1.748 161 HB2 CYS 18 HB2 CYS 18 -10.279 4.456 -3.617 162 HB3 CYS 18 HB3 CYS 18 -11.614 3.762 -2.709 163 H GLU 19 H GLU 19 -11.251 0.830 -1.457 164 HA GLU 19 HA GLU 19 -12.996 -0.020 -3.695 165 HB2 GLU 19 HB2 GLU 19 -11.048 -1.625 -3.436 166 HB3 GLU 19 HB3 GLU 19 -11.645 -2.002 -1.816 167 HG2 GLU 19 HG2 GLU 19 -13.848 -2.663 -2.828 168 HG3 GLU 19 HG3 GLU 19 -13.187 -2.343 -4.431 169 H ASN 20 H ASN 20 -14.925 0.545 -3.010 170 HA ASN 20 HA ASN 20 -16.724 1.068 -1.725 171 HB2 ASN 20 HB2 ASN 20 -15.739 -1.213 0.021 172 HB3 ASN 20 HB3 ASN 20 -17.227 -0.329 0.309 173 HD21 ASN 20 HD21 ASN 20 -15.602 -2.148 -2.390 174 HD22 ASN 20 HD22 ASN 20 -17.137 -2.801 -2.952 175 H GLN 21 H GLN 21 -14.941 2.866 -1.664 176 HA GLN 21 HA GLN 21 -14.518 4.887 -0.753 177 HB2 GLN 21 HB2 GLN 21 -16.469 4.173 1.458 178 HB3 GLN 21 HB3 GLN 21 -15.949 5.774 0.941 179 HG2 GLN 21 HG2 GLN 21 -17.859 5.771 -0.255 180 HG3 GLN 21 HG3 GLN 21 -16.916 4.845 -1.421 181 HE21 GLN 21 HE21 GLN 21 -18.195 3.166 -2.188 182 HE22 GLN 21 HE22 GLN 21 -19.320 2.284 -1.153 183 H ALA 22 H ALA 22 -12.729 2.684 0.113 184 HA ALA 22 HA ALA 22 -11.347 4.029 2.251 185 HB1 ALA 22 HB1 ALA 22 -12.543 1.257 2.686 186 HB2 ALA 22 HB2 ALA 22 -11.431 2.112 3.799 187 HB3 ALA 22 HB3 ALA 22 -13.051 2.747 3.511 188 HA PRO 23 HA PRO 23 -8.285 2.034 -0.325 189 HB2 PRO 23 HB2 PRO 23 -6.016 3.018 0.733 190 HB3 PRO 23 HB3 PRO 23 -7.247 4.014 -0.137 191 HG2 PRO 23 HG2 PRO 23 -6.996 3.658 2.865 192 HG3 PRO 23 HG3 PRO 23 -7.055 5.185 1.936 193 HD2 PRO 23 HD2 PRO 23 -9.289 4.041 3.047 194 HD3 PRO 23 HD3 PRO 23 -9.342 4.927 1.493 195 H VAL 24 H VAL 24 -8.405 -0.113 -0.124 196 HA VAL 24 HA VAL 24 -7.336 -1.473 2.290 197 HB VAL 24 HB VAL 24 -8.490 -3.445 1.624 198 HG11 VAL 24 HG11 VAL 24 -10.738 -2.788 1.873 199 HG12 VAL 24 HG12 VAL 24 -9.814 -1.485 2.645 200 HG13 VAL 24 HG13 VAL 24 -10.496 -1.237 1.042 201 HG21 VAL 24 HG21 VAL 24 -8.236 -3.429 -0.820 202 HG22 VAL 24 HG22 VAL 24 -9.938 -3.560 -0.386 203 HG23 VAL 24 HG23 VAL 24 -9.292 -2.004 -0.954 204 H HIS 25 H HIS 25 -5.762 -0.269 -0.268 205 HA HIS 25 HA HIS 25 -3.955 -2.623 -0.516 206 HB2 HIS 25 HB2 HIS 25 -5.881 -2.600 -2.324 207 HB3 HIS 25 HB3 HIS 25 -4.995 -1.230 -2.970 208 HD1 HIS 25 HD1 HIS 25 -4.414 -4.951 -2.272 209 HD2 HIS 25 HD2 HIS 25 -2.966 -1.712 -4.556 210 HE1 HIS 25 HE1 HIS 25 -2.746 -5.954 -4.001 211 HE2 HIS 25 HE2 HIS 25 -1.827 -3.951 -5.340 212 H PHE 26 H PHE 26 -1.854 -2.065 -1.032 213 HA PHE 26 HA PHE 26 -1.203 0.837 -1.280 214 HB2 PHE 26 HB2 PHE 26 -0.159 -0.435 0.587 215 HB3 PHE 26 HB3 PHE 26 0.526 -1.561 -0.568 216 HD1 PHE 26 HD2 PHE 26 0.395 2.245 -0.334 217 HD2 PHE 26 HD1 PHE 26 2.859 -1.302 -0.627 218 HE1 PHE 26 HE2 PHE 26 2.408 3.650 -0.509 219 HE2 PHE 26 HE1 PHE 26 4.868 0.124 -0.788 220 HZ PHE 26 HZ PHE 26 4.652 2.589 -0.749 221 H VAL 27 H VAL 27 -0.243 1.680 -3.068 222 HA VAL 27 HA VAL 27 0.373 -0.186 -5.353 223 HB VAL 27 HB VAL 27 -0.499 2.705 -5.453 224 HG11 VAL 27 HG11 VAL 27 0.149 0.767 -7.705 225 HG12 VAL 27 HG12 VAL 27 -0.622 2.353 -7.908 226 HG13 VAL 27 HG13 VAL 27 1.031 2.256 -7.292 227 HG21 VAL 27 HG21 VAL 27 -2.352 1.104 -4.938 228 HG22 VAL 27 HG22 VAL 27 -2.521 1.891 -6.506 229 HG23 VAL 27 HG23 VAL 27 -1.944 0.210 -6.416 230 H GLY 28 H GLY 28 1.522 2.959 -3.911 231 HA2 GLY 28 HA2 GLY 28 4.280 2.272 -4.100 232 HA3 GLY 28 HA3 GLY 28 3.810 3.132 -5.574 233 H VAL 29 H VAL 29 5.542 4.530 -4.664 234 HA VAL 29 HA VAL 29 4.479 6.599 -2.776 235 HB VAL 29 HB VAL 29 7.429 5.949 -2.933 236 HG11 VAL 29 HG11 VAL 29 7.461 7.039 -0.782 237 HG12 VAL 29 HG12 VAL 29 6.622 8.081 -1.948 238 HG13 VAL 29 HG13 VAL 29 5.681 7.169 -0.761 239 HG21 VAL 29 HG21 VAL 29 7.185 4.660 -0.826 240 HG22 VAL 29 HG22 VAL 29 5.415 4.727 -1.002 241 HG23 VAL 29 HG23 VAL 29 6.413 3.830 -2.177 242 H GLY 30 H GLY 30 4.642 8.699 -3.460 243 HA2 GLY 30 HA2 GLY 30 4.917 10.466 -4.884 244 HA3 GLY 30 HA3 GLY 30 6.434 9.729 -5.358 245 H SER 31 H SER 31 4.022 7.574 -6.197 246 HA SER 31 HA SER 31 3.128 8.531 -8.760 247 HB2 SER 31 HB2 SER 31 5.641 8.139 -9.132 248 HB3 SER 31 HB3 SER 31 5.329 6.427 -8.815 249 HG SER 31 HG SER 31 4.433 8.078 -10.947 250 H CYS 32 H CYS 32 2.052 6.740 -9.969 251 HA CYS 32 HA CYS 32 1.127 4.466 -8.259 252 HB2 CYS 32 HB2 CYS 32 -0.250 5.926 -10.530 253 HB3 CYS 32 HB3 CYS 32 -0.858 4.470 -9.759 254 H GLY 33 H GLY 33 2.117 2.629 -8.808 255 HA2 GLY 33 HA2 GLY 33 3.301 2.059 -11.419 256 HA3 GLY 33 HA3 GLY 33 3.205 0.981 -10.029 257 H SER 34 H SER 34 1.861 1.771 -13.066 258 HA SER 34 HA SER 34 -0.774 0.731 -12.913 259 HB2 SER 34 HB2 SER 34 0.208 2.095 -14.781 260 HB3 SER 34 HB3 SER 34 1.067 0.641 -15.331 261 HG SER 34 HG SER 34 -0.960 0.947 -16.399 262 H GLY 35 H GLY 35 -1.695 -1.217 -13.566 263 HA2 GLY 35 HA2 GLY 35 -2.016 -3.503 -13.611 264 HA3 GLY 35 HA3 GLY 35 -0.351 -3.684 -14.164 265 H GLY 36 H GLY 36 1.307 -3.925 -12.628 266 HA2 GLY 36 HA2 GLY 36 1.157 -3.739 -9.836 267 HA3 GLY 36 HA3 GLY 36 0.855 -5.439 -10.241 268 H SER 37 H SER 37 3.080 -4.704 -8.754 269 HA SER 37 HA SER 37 5.480 -4.631 -10.445 270 HB2 SER 37 HB2 SER 37 6.732 -4.917 -8.378 271 HB3 SER 37 HB3 SER 37 5.542 -3.625 -8.209 272 HG SER 37 HG SER 37 4.358 -4.871 -6.862 273 H GLY 38 H GLY 38 7.177 -6.350 -10.242 274 HA2 GLY 38 HA2 GLY 38 6.149 -8.995 -10.896 275 HA3 GLY 38 HA3 GLY 38 7.839 -8.523 -10.741 276 H ILE 39 H ILE 39 6.991 -7.492 -7.895 277 HA ILE 39 HA ILE 39 7.674 -9.950 -6.453 278 HB ILE 39 HB ILE 39 7.091 -7.204 -5.292 279 HG12 ILE 39 HG12 ILE 39 9.804 -7.337 -5.200 280 HG13 ILE 39 HG13 ILE 39 9.562 -8.218 -6.697 281 HG21 ILE 39 HG21 ILE 39 7.099 -8.995 -3.636 282 HG22 ILE 39 HG22 ILE 39 8.664 -9.598 -4.252 283 HG23 ILE 39 HG23 ILE 39 8.546 -8.021 -3.446 284 HD11 ILE 39 HD11 ILE 39 8.542 -5.404 -6.084 285 HD12 ILE 39 HD12 ILE 39 9.993 -5.799 -7.025 286 HD13 ILE 39 HD13 ILE 39 8.400 -6.241 -7.648 287 H PHE 40 H PHE 40 6.338 -11.130 -5.307 288 HA PHE 40 HA PHE 40 3.582 -10.218 -4.594 289 HB2 PHE 40 HB2 PHE 40 2.544 -12.136 -5.436 290 HB3 PHE 40 HB3 PHE 40 3.564 -11.533 -6.723 291 HD1 PHE 40 HD1 PHE 40 5.819 -12.724 -7.180 292 HD2 PHE 40 HD2 PHE 40 2.745 -14.367 -4.635 293 HE1 PHE 40 HE1 PHE 40 6.849 -14.974 -7.380 294 HE2 PHE 40 HE2 PHE 40 3.766 -16.616 -4.854 295 HZ PHE 40 HZ PHE 40 5.824 -16.924 -6.220 296 H LEU 41 H LEU 41 6.255 -10.825 -3.202 297 HA LEU 41 HA LEU 41 5.945 -13.053 -1.435 298 HB2 LEU 41 HB2 LEU 41 7.602 -10.506 -1.218 299 HB3 LEU 41 HB3 LEU 41 7.800 -11.906 -0.170 300 HG LEU 41 HG LEU 41 8.177 -12.005 -3.200 301 HD11 LEU 41 HD11 LEU 41 10.576 -12.019 -2.734 302 HD12 LEU 41 HD12 LEU 41 10.259 -11.828 -0.995 303 HD13 LEU 41 HD13 LEU 41 9.838 -10.528 -2.129 304 HD21 LEU 41 HD21 LEU 41 7.668 -14.214 -2.227 305 HD22 LEU 41 HD22 LEU 41 8.919 -13.971 -0.986 306 HD23 LEU 41 HD23 LEU 41 9.368 -14.126 -2.699 307 H GLU 42 H GLU 42 4.532 -9.883 -1.269 308 HA GLU 42 HA GLU 42 3.389 -10.525 1.410 309 HB2 GLU 42 HB2 GLU 42 3.027 -8.223 1.783 310 HB3 GLU 42 HB3 GLU 42 4.714 -8.405 1.320 311 HG2 GLU 42 HG2 GLU 42 4.056 -7.691 -1.031 312 HG3 GLU 42 HG3 GLU 42 2.424 -7.393 -0.421 313 H THR 43 H THR 43 1.148 -10.056 1.689 314 HA THR 43 HA THR 43 -0.567 -10.834 -0.553 315 HB THR 43 HB THR 43 -1.246 -9.764 2.205 316 HG1 THR 43 HG1 THR 43 -0.077 -11.792 2.054 317 HG21 THR 43 HG21 THR 43 -3.258 -9.587 0.800 318 HG22 THR 43 HG22 THR 43 -3.428 -10.953 1.902 319 HG23 THR 43 HG23 THR 43 -3.012 -11.245 0.199 320 H SER 44 H SER 44 0.472 -7.774 0.772 321 HA SER 44 HA SER 44 0.048 -5.595 0.343 322 HB2 SER 44 HB2 SER 44 0.824 -6.455 -1.893 323 HB3 SER 44 HB3 SER 44 -0.869 -6.486 -2.404 324 HG SER 44 HG SER 44 -0.947 -4.237 -1.886 325 H LEU 45 H LEU 45 -2.257 -7.292 1.313 326 HA LEU 45 HA LEU 45 -4.435 -7.381 1.752 327 HB2 LEU 45 HB2 LEU 45 -4.132 -4.396 1.547 328 HB3 LEU 45 HB3 LEU 45 -5.533 -5.198 2.248 329 HG LEU 45 HG LEU 45 -3.589 -6.369 3.753 330 HD11 LEU 45 HD11 LEU 45 -1.651 -5.212 2.765 331 HD12 LEU 45 HD12 LEU 45 -1.923 -4.550 4.368 332 HD13 LEU 45 HD13 LEU 45 -2.451 -3.641 2.951 333 HD21 LEU 45 HD21 LEU 45 -4.720 -3.595 4.149 334 HD22 LEU 45 HD22 LEU 45 -3.990 -4.592 5.438 335 HD23 LEU 45 HD23 LEU 45 -5.480 -5.098 4.658 336 H SER 46 H SER 46 -5.383 -8.548 0.289 337 HA SER 46 HA SER 46 -6.599 -7.256 -2.128 338 HB2 SER 46 HB2 SER 46 -4.385 -8.165 -2.731 339 HB3 SER 46 HB3 SER 46 -4.894 -9.772 -2.182 340 HG SER 46 HG SER 46 -5.181 -9.464 -4.457 341 H ALA 47 H ALA 47 -6.358 -10.527 -0.631 342 HA ALA 47 HA ALA 47 -9.325 -10.814 -0.870 343 HB1 ALA 47 HB1 ALA 47 -8.090 -12.296 -2.384 344 HB2 ALA 47 HB2 ALA 47 -7.148 -12.937 -1.017 345 HB3 ALA 47 HB3 ALA 47 -8.900 -13.220 -1.105 346 H GLY 48 H GLY 48 -10.398 -10.918 0.978 347 HA2 GLY 48 HA2 GLY 48 -10.948 -11.317 3.189 348 HA3 GLY 48 HA3 GLY 48 -9.477 -12.263 3.367 349 H SER 49 H SER 49 -8.735 -9.052 2.272 350 HA SER 49 HA SER 49 -7.860 -8.248 5.001 351 HB2 SER 49 HB2 SER 49 -7.014 -7.325 2.232 352 HB3 SER 49 HB3 SER 49 -6.334 -6.790 3.774 353 HG SER 49 HG SER 49 -6.379 -9.536 3.071 354 H ASP 50 H ASP 50 -7.796 -5.739 5.207 355 HA ASP 50 HA ASP 50 -9.912 -4.288 3.851 356 HB2 ASP 50 HB2 ASP 50 -11.141 -3.776 5.963 357 HB3 ASP 50 HB3 ASP 50 -11.291 -5.437 5.432 358 H TRP 51 H TRP 51 -10.086 -2.139 4.577 359 HA TRP 51 HA TRP 51 -7.731 -0.616 4.848 360 HB2 TRP 51 HB2 TRP 51 -9.402 0.619 3.978 361 HB3 TRP 51 HB3 TRP 51 -10.655 -0.130 4.943 362 HD1 TRP 51 HD1 TRP 51 -11.525 1.117 6.973 363 HE1 TRP 51 HE1 TRP 51 -10.965 3.346 8.156 364 HE3 TRP 51 HE3 TRP 51 -7.078 2.139 4.693 365 HZ2 TRP 51 HZ2 TRP 51 -8.831 5.293 8.117 366 HZ3 TRP 51 HZ3 TRP 51 -5.760 4.145 5.322 367 HH2 TRP 51 HH2 TRP 51 -6.631 5.742 7.000 368 H LEU 52 H LEU 52 -9.790 -1.898 7.449 369 HA LEU 52 HA LEU 52 -8.737 -0.247 9.547 370 HB2 LEU 52 HB2 LEU 52 -10.793 -2.098 9.301 371 HB3 LEU 52 HB3 LEU 52 -9.644 -2.984 10.275 372 HG LEU 52 HG LEU 52 -11.275 -1.857 11.644 373 HD11 LEU 52 HD11 LEU 52 -9.877 -0.631 13.200 374 HD12 LEU 52 HD12 LEU 52 -8.636 -0.372 11.959 375 HD13 LEU 52 HD13 LEU 52 -8.974 -2.013 12.559 376 HD21 LEU 52 HD21 LEU 52 -11.856 -0.009 10.107 377 HD22 LEU 52 HD22 LEU 52 -10.345 0.820 10.543 378 HD23 LEU 52 HD23 LEU 52 -11.586 0.527 11.773 379 H THR 53 H THR 53 -7.831 -3.478 8.384 380 HA THR 53 HA THR 53 -5.402 -3.626 10.003 381 HB THR 53 HB THR 53 -4.865 -5.606 8.605 382 HG1 THR 53 HG1 THR 53 -7.439 -5.130 7.528 383 HG21 THR 53 HG21 THR 53 -6.627 -7.036 9.496 384 HG22 THR 53 HG22 THR 53 -7.676 -5.633 9.780 385 HG23 THR 53 HG23 THR 53 -6.169 -5.817 10.703 386 H PHE 54 H PHE 54 -6.044 -2.447 6.695 387 HA PHE 54 HA PHE 54 -3.480 -2.300 5.624 388 HB2 PHE 54 HB2 PHE 54 -5.505 -1.602 4.407 389 HB3 PHE 54 HB3 PHE 54 -5.712 -0.253 5.503 390 HD1 PHE 54 HD1 PHE 54 -3.589 -1.553 2.770 391 HD2 PHE 54 HD2 PHE 54 -4.614 1.811 5.253 392 HE1 PHE 54 HE1 PHE 54 -2.247 -0.050 1.309 393 HE2 PHE 54 HE2 PHE 54 -3.310 3.315 3.768 394 HZ PHE 54 HZ PHE 54 -2.085 2.379 1.827 395 H GLN 55 H GLN 55 -4.925 0.042 7.840 396 HA GLN 55 HA GLN 55 -2.720 1.819 8.133 397 HB2 GLN 55 HB2 GLN 55 -4.900 0.983 10.084 398 HB3 GLN 55 HB3 GLN 55 -3.784 2.319 10.384 399 HG2 GLN 55 HG2 GLN 55 -4.705 3.665 8.697 400 HG3 GLN 55 HG3 GLN 55 -5.402 2.295 7.823 401 HE21 GLN 55 HE21 GLN 55 -7.392 1.412 8.448 402 HE22 GLN 55 HE22 GLN 55 -8.399 2.260 9.607 403 H LYS 56 H LYS 56 -3.691 -0.786 10.365 404 HA LYS 56 HA LYS 56 -1.256 -0.749 11.903 405 HB2 LYS 56 HB2 LYS 56 -3.231 -3.055 11.595 406 HB3 LYS 56 HB3 LYS 56 -2.031 -2.901 12.864 407 HG2 LYS 56 HG2 LYS 56 -4.466 -1.129 12.415 408 HG3 LYS 56 HG3 LYS 56 -4.187 -2.238 13.751 409 HD2 LYS 56 HD2 LYS 56 -2.593 0.302 13.185 410 HD3 LYS 56 HD3 LYS 56 -3.872 0.149 14.384 411 HE2 LYS 56 HE2 LYS 56 -2.630 -1.283 15.782 412 HE3 LYS 56 HE3 LYS 56 -1.499 -1.734 14.507 413 HZ1 LYS 56 HZ1 LYS 56 -0.547 0.480 14.594 414 HZ2 LYS 56 HZ2 LYS 56 -0.516 -0.166 16.091 415 HZ3 LYS 56 HZ3 LYS 56 -1.627 0.972 15.722 416 H LYS 57 H LYS 57 -1.783 -2.266 8.910 417 HA LYS 57 HA LYS 57 0.465 -4.084 8.936 418 HB2 LYS 57 HB2 LYS 57 -1.484 -3.054 6.940 419 HB3 LYS 57 HB3 LYS 57 0.065 -3.493 6.258 420 HG2 LYS 57 HG2 LYS 57 -1.374 -5.384 8.158 421 HG3 LYS 57 HG3 LYS 57 -1.804 -5.306 6.453 422 HD2 LYS 57 HD2 LYS 57 0.551 -5.808 5.806 423 HD3 LYS 57 HD3 LYS 57 1.003 -5.865 7.510 424 HE2 LYS 57 HE2 LYS 57 0.776 -8.114 6.758 425 HE3 LYS 57 HE3 LYS 57 -0.563 -7.778 7.858 426 HZ1 LYS 57 HZ1 LYS 57 -2.011 -7.519 5.924 427 HZ2 LYS 57 HZ2 LYS 57 -1.265 -8.964 5.836 428 HZ3 LYS 57 HZ3 LYS 57 -0.755 -7.738 4.887 429 H HIS 58 H HIS 58 0.312 -0.727 7.527 430 HA HIS 58 HA HIS 58 3.255 -0.563 7.961 431 HB2 HIS 58 HB2 HIS 58 3.815 -0.262 5.698 432 HB3 HIS 58 HB3 HIS 58 2.847 -1.726 5.754 433 HD1 HIS 58 HD1 HIS 58 3.063 1.527 4.082 434 HD2 HIS 58 HD2 HIS 58 -0.009 -1.186 5.143 435 HE1 HIS 58 HE1 HIS 58 0.918 2.225 2.768 436 HE2 HIS 58 HE2 HIS 58 -0.923 0.558 3.451 437 H ILE 59 H ILE 59 0.916 0.971 8.944 438 HA ILE 59 HA ILE 59 1.911 3.720 8.276 439 HB ILE 59 HB ILE 59 -1.024 3.051 8.670 440 HG12 ILE 59 HG12 ILE 59 0.649 3.439 6.177 441 HG13 ILE 59 HG13 ILE 59 -0.502 2.164 6.541 442 HG21 ILE 59 HG21 ILE 59 0.267 5.672 7.846 443 HG22 ILE 59 HG22 ILE 59 -1.467 5.368 8.066 444 HG23 ILE 59 HG23 ILE 59 -0.422 5.330 9.452 445 HD11 ILE 59 HD11 ILE 59 -2.371 3.794 6.256 446 HD12 ILE 59 HD12 ILE 59 -1.175 5.046 5.816 447 HD13 ILE 59 HD13 ILE 59 -1.347 3.612 4.807 448 H THR 60 H THR 60 1.880 5.185 9.966 449 HA THR 60 HA THR 60 0.899 4.313 12.616 450 HB THR 60 HB THR 60 3.129 3.336 12.597 451 HG1 THR 60 HG1 THR 60 3.861 4.445 14.482 452 HG21 THR 60 HG21 THR 60 4.313 4.884 11.062 453 HG22 THR 60 HG22 THR 60 5.153 4.684 12.603 454 HG23 THR 60 HG23 THR 60 4.222 6.166 12.293 455 H ASN 61 H ASN 61 0.867 5.909 14.228 456 HA ASN 61 HA ASN 61 0.725 8.732 13.296 457 HB2 ASN 61 HB2 ASN 61 -0.440 7.221 15.677 458 HB3 ASN 61 HB3 ASN 61 -0.445 8.969 15.546 459 HD21 ASN 61 HD21 ASN 61 -2.026 6.051 14.438 460 HD22 ASN 61 HD22 ASN 61 -3.181 6.907 13.425 461 H THR 62 H THR 62 3.028 6.704 14.522 462 HA THR 62 HA THR 62 4.759 8.916 15.223 463 HB THR 62 HB THR 62 3.775 8.721 17.384 464 HG1 THR 62 HG1 THR 62 5.644 8.256 18.546 465 HG21 THR 62 HG21 THR 62 3.791 6.791 18.805 466 HG22 THR 62 HG22 THR 62 4.607 5.801 17.586 467 HG23 THR 62 HG23 THR 62 2.939 6.356 17.316 468 H ARG 63 H ARG 63 6.521 8.427 14.017 469 HA ARG 63 HA ARG 63 7.266 5.707 13.315 470 HB2 ARG 63 HB2 ARG 63 7.818 7.661 11.856 471 HB3 ARG 63 HB3 ARG 63 8.951 8.230 13.106 472 HG2 ARG 63 HG2 ARG 63 10.104 5.922 12.881 473 HG3 ARG 63 HG3 ARG 63 9.000 5.622 11.533 474 HD2 ARG 63 HD2 ARG 63 10.991 6.288 10.567 475 HD3 ARG 63 HD3 ARG 63 9.955 7.708 10.431 476 HE ARG 63 HE ARG 63 12.324 7.299 12.217 477 HH11 ARG 63 HH11 ARG 63 9.889 9.615 11.257 478 HH12 ARG 63 HH12 ARG 63 10.775 10.950 11.948 479 HH21 ARG 63 HH21 ARG 63 13.402 9.020 13.037 480 HH22 ARG 63 HH22 ARG 63 12.721 10.611 12.913 481 H ASP 64 H ASP 64 7.727 4.404 14.929 482 HA ASP 64 HA ASP 64 9.870 5.120 16.887 483 HB2 ASP 64 HB2 ASP 64 7.525 4.648 17.703 484 HB3 ASP 64 HB3 ASP 64 7.706 2.999 17.108 485 H VAL 65 H VAL 65 9.807 3.646 14.050 486 HA VAL 65 HA VAL 65 11.062 1.082 14.655 487 HB VAL 65 HB VAL 65 9.625 1.260 12.747 488 HG11 VAL 65 HG11 VAL 65 10.293 2.459 10.681 489 HG12 VAL 65 HG12 VAL 65 9.913 3.554 12.009 490 HG13 VAL 65 HG13 VAL 65 11.610 3.250 11.559 491 HG21 VAL 65 HG21 VAL 65 12.410 0.894 11.637 492 HG22 VAL 65 HG22 VAL 65 11.656 -0.269 12.763 493 HG23 VAL 65 HG23 VAL 65 10.921 0.047 11.199 494 H ASP 66 H ASP 66 13.128 0.458 14.461 495 HA ASP 66 HA ASP 66 15.258 2.382 13.623 496 HB2 ASP 66 HB2 ASP 66 15.014 2.078 16.137 497 HB3 ASP 66 HB3 ASP 66 15.480 0.392 15.901 498 H CYS 67 H CYS 67 13.759 -0.199 12.575 499 HA CYS 67 HA CYS 67 14.116 -2.132 11.449 500 HB2 CYS 67 HB2 CYS 67 16.422 -0.574 10.289 501 HB3 CYS 67 HB3 CYS 67 15.488 -1.867 9.521 502 H ASP 68 H ASP 68 14.864 -2.652 13.814 503 HA ASP 68 HA ASP 68 16.698 -4.854 13.676 504 HB2 ASP 68 HB2 ASP 68 17.736 -2.269 14.674 505 HB3 ASP 68 HB3 ASP 68 17.840 -3.519 15.893 506 H ASN 69 H ASN 69 14.616 -2.740 15.621 507 HA ASN 69 HA ASN 69 14.169 -4.907 17.599 508 HB2 ASN 69 HB2 ASN 69 13.172 -3.116 18.978 509 HB3 ASN 69 HB3 ASN 69 14.878 -2.919 18.602 510 HD21 ASN 69 HD21 ASN 69 12.053 -1.897 16.511 511 HD22 ASN 69 HD22 ASN 69 12.470 -0.209 16.770 512 H ILE 70 H ILE 70 12.825 -4.073 14.736 513 HA ILE 70 HA ILE 70 10.018 -4.084 15.270 514 HB ILE 70 HB ILE 70 9.715 -4.478 12.931 515 HG12 ILE 70 HG12 ILE 70 12.631 -5.323 12.889 516 HG13 ILE 70 HG13 ILE 70 11.208 -6.186 12.285 517 HG21 ILE 70 HG21 ILE 70 10.410 -2.259 13.860 518 HG22 ILE 70 HG22 ILE 70 12.075 -2.608 13.330 519 HG23 ILE 70 HG23 ILE 70 10.752 -2.475 12.146 520 HD11 ILE 70 HD11 ILE 70 12.431 -5.376 10.407 521 HD12 ILE 70 HD12 ILE 70 10.952 -4.393 10.525 522 HD13 ILE 70 HD13 ILE 70 12.520 -3.743 11.075 523 H MET 71 H MET 71 12.227 -6.577 15.583 524 HA MET 71 HA MET 71 10.600 -8.920 15.249 525 HB2 MET 71 HB2 MET 71 12.995 -8.985 15.615 526 HB3 MET 71 HB3 MET 71 12.816 -8.358 17.257 527 HG2 MET 71 HG2 MET 71 11.416 -10.907 16.402 528 HG3 MET 71 HG3 MET 71 13.130 -10.929 16.799 529 HE1 MET 71 HE1 MET 71 12.278 -12.923 18.465 530 HE2 MET 71 HE2 MET 71 11.185 -12.628 19.837 531 HE3 MET 71 HE3 MET 71 10.562 -12.546 18.176 532 H SER 72 H SER 72 10.581 -6.449 17.771 533 HA SER 72 HA SER 72 8.687 -7.881 19.517 534 HB2 SER 72 HB2 SER 72 9.764 -5.038 19.593 535 HB3 SER 72 HB3 SER 72 8.733 -5.778 20.829 536 HG SER 72 HG SER 72 11.309 -6.711 20.031 537 H THR 73 H THR 73 8.138 -6.515 16.582 538 HA THR 73 HA THR 73 5.464 -5.355 17.302 539 HB THR 73 HB THR 73 5.590 -3.823 15.515 540 HG1 THR 73 HG1 THR 73 7.926 -5.235 14.764 541 HG21 THR 73 HG21 THR 73 6.852 -3.051 17.490 542 HG22 THR 73 HG22 THR 73 7.514 -2.414 15.972 543 HG23 THR 73 HG23 THR 73 8.348 -3.734 16.812 544 H ASN 74 H ASN 74 4.136 -5.260 15.037 545 HA ASN 74 HA ASN 74 3.561 -7.973 14.240 546 HB2 ASN 74 HB2 ASN 74 2.786 -5.356 12.868 547 HB3 ASN 74 HB3 ASN 74 2.036 -6.927 12.626 548 HD21 ASN 74 HD21 ASN 74 1.898 -4.038 14.461 549 HD22 ASN 74 HD22 ASN 74 0.747 -4.641 15.649 550 H LEU 75 H LEU 75 5.963 -5.758 13.111 551 HA LEU 75 HA LEU 75 6.131 -6.785 10.380 552 HB2 LEU 75 HB2 LEU 75 7.762 -4.745 11.937 553 HB3 LEU 75 HB3 LEU 75 7.920 -5.051 10.232 554 HG LEU 75 HG LEU 75 6.732 -3.131 10.263 555 HD11 LEU 75 HD11 LEU 75 4.480 -5.153 10.109 556 HD12 LEU 75 HD12 LEU 75 5.654 -4.823 8.807 557 HD13 LEU 75 HD13 LEU 75 4.565 -3.550 9.370 558 HD21 LEU 75 HD21 LEU 75 6.166 -3.009 12.653 559 HD22 LEU 75 HD22 LEU 75 4.791 -4.104 12.380 560 HD23 LEU 75 HD23 LEU 75 4.827 -2.523 11.602 561 H PHE 76 H PHE 76 6.979 -8.481 12.822 562 HA PHE 76 HA PHE 76 9.819 -8.794 12.865 563 HB2 PHE 76 HB2 PHE 76 9.428 -10.596 14.318 564 HB3 PHE 76 HB3 PHE 76 8.243 -9.356 14.709 565 HD1 PHE 76 HD2 PHE 76 5.804 -9.729 14.030 566 HD2 PHE 76 HD1 PHE 76 8.801 -12.793 13.635 567 HE1 PHE 76 HE2 PHE 76 4.023 -11.444 13.954 568 HE2 PHE 76 HE1 PHE 76 7.014 -14.521 13.535 569 HZ PHE 76 HZ PHE 76 4.624 -13.851 13.712 570 H HIS 77 H HIS 77 7.650 -9.794 10.592 571 HA HIS 77 HA HIS 77 8.317 -12.435 9.877 572 HB2 HIS 77 HB2 HIS 77 7.275 -10.126 8.191 573 HB3 HIS 77 HB3 HIS 77 7.130 -11.836 7.754 574 HD1 HIS 77 HD1 HIS 77 5.994 -13.037 10.461 575 HD2 HIS 77 HD2 HIS 77 4.859 -9.372 8.675 576 HE1 HIS 77 HE1 HIS 77 3.654 -12.478 11.359 577 HE2 HIS 77 HE2 HIS 77 2.979 -10.230 10.293 578 H CYS 78 H CYS 78 10.436 -9.915 9.591 579 HA CYS 78 HA CYS 78 11.988 -9.123 8.065 580 HB2 CYS 78 HB2 CYS 78 13.225 -10.666 9.393 581 HB3 CYS 78 HB3 CYS 78 12.821 -12.007 8.321 582 H LYS 79 H LYS 79 9.964 -8.970 6.681 583 HA LYS 79 HA LYS 79 10.240 -10.025 3.961 584 HB2 LYS 79 HB2 LYS 79 8.691 -8.052 3.420 585 HB3 LYS 79 HB3 LYS 79 8.088 -9.367 4.406 586 HG2 LYS 79 HG2 LYS 79 7.269 -7.303 5.264 587 HG3 LYS 79 HG3 LYS 79 8.317 -8.050 6.449 588 HD2 LYS 79 HD2 LYS 79 9.669 -6.103 4.645 589 HD3 LYS 79 HD3 LYS 79 8.366 -5.413 5.577 590 HE2 LYS 79 HE2 LYS 79 10.723 -6.932 6.812 591 HE3 LYS 79 HE3 LYS 79 10.677 -5.196 6.588 592 HZ1 LYS 79 HZ1 LYS 79 8.683 -5.112 8.012 593 HZ2 LYS 79 HZ2 LYS 79 9.968 -5.758 8.810 594 HZ3 LYS 79 HZ3 LYS 79 8.778 -6.726 8.293 595 H ASP 80 H ASP 80 10.789 -8.695 2.134 596 HA ASP 80 HA ASP 80 13.466 -7.844 2.320 597 HB2 ASP 80 HB2 ASP 80 11.424 -7.550 0.087 598 HB3 ASP 80 HB3 ASP 80 13.131 -7.158 -0.095 599 H LYS 81 H LYS 81 10.582 -5.824 2.276 600 HA LYS 81 HA LYS 81 12.022 -3.683 3.521 601 HB2 LYS 81 HB2 LYS 81 11.328 -1.883 1.837 602 HB3 LYS 81 HB3 LYS 81 12.687 -2.891 1.376 603 HG2 LYS 81 HG2 LYS 81 11.453 -4.145 -0.163 604 HG3 LYS 81 HG3 LYS 81 9.888 -3.541 0.416 605 HD2 LYS 81 HD2 LYS 81 12.005 -1.776 -0.873 606 HD3 LYS 81 HD3 LYS 81 10.750 -2.573 -1.804 607 HE2 LYS 81 HE2 LYS 81 10.142 -0.671 0.507 608 HE3 LYS 81 HE3 LYS 81 10.367 -0.120 -1.150 609 HZ1 LYS 81 HZ1 LYS 81 8.030 -0.493 -0.607 610 HZ2 LYS 81 HZ2 LYS 81 8.293 -2.086 -0.344 611 HZ3 LYS 81 HZ3 LYS 81 8.500 -1.463 -1.842 612 H ASN 82 H ASN 82 10.684 -2.013 4.348 613 HA ASN 82 HA ASN 82 7.740 -2.443 4.108 614 HB2 ASN 82 HB2 ASN 82 8.923 -3.384 6.311 615 HB3 ASN 82 HB3 ASN 82 8.844 -1.711 6.822 616 HD21 ASN 82 HD21 ASN 82 6.951 -1.278 7.990 617 HD22 ASN 82 HD22 ASN 82 5.446 -2.158 7.716 618 H THR 83 H THR 83 6.964 -0.668 3.175 619 HA THR 83 HA THR 83 8.201 1.965 3.586 620 HB THR 83 HB THR 83 5.696 1.174 2.031 621 HG1 THR 83 HG1 THR 83 8.382 1.629 1.242 622 HG21 THR 83 HG21 THR 83 5.724 3.571 2.582 623 HG22 THR 83 HG22 THR 83 6.105 3.335 0.876 624 HG23 THR 83 HG23 THR 83 7.407 3.697 2.041 625 H PHE 84 H PHE 84 7.852 2.676 5.683 626 HA PHE 84 HA PHE 84 5.166 2.560 6.873 627 HB2 PHE 84 HB2 PHE 84 7.686 3.837 7.899 628 HB3 PHE 84 HB3 PHE 84 6.160 3.787 8.752 629 HD1 PHE 84 HD1 PHE 84 5.134 1.362 9.134 630 HD2 PHE 84 HD2 PHE 84 9.292 2.241 8.374 631 HE1 PHE 84 HE1 PHE 84 5.792 -0.719 10.320 632 HE2 PHE 84 HE2 PHE 84 9.921 0.030 9.317 633 HZ PHE 84 HZ PHE 84 8.184 -1.406 10.412 634 H ILE 85 H ILE 85 3.724 4.118 6.811 635 HA ILE 85 HA ILE 85 4.407 6.847 5.754 636 HB ILE 85 HB ILE 85 1.766 5.371 5.970 637 HG12 ILE 85 HG12 ILE 85 3.190 6.295 3.434 638 HG13 ILE 85 HG13 ILE 85 3.379 4.673 4.098 639 HG21 ILE 85 HG21 ILE 85 0.735 7.292 4.830 640 HG22 ILE 85 HG22 ILE 85 1.432 7.791 6.357 641 HG23 ILE 85 HG23 ILE 85 2.291 8.156 4.842 642 HD11 ILE 85 HD11 ILE 85 1.704 4.559 2.394 643 HD12 ILE 85 HD12 ILE 85 0.924 4.326 3.977 644 HD13 ILE 85 HD13 ILE 85 0.770 5.875 3.121 645 H TYR 86 H TYR 86 4.883 8.217 7.429 646 HA TYR 86 HA TYR 86 3.378 8.000 9.969 647 HB2 TYR 86 HB2 TYR 86 5.727 8.379 10.173 648 HB3 TYR 86 HB3 TYR 86 5.638 9.756 9.095 649 HD1 TYR 86 HD2 TYR 86 2.974 9.399 11.681 650 HD2 TYR 86 HD1 TYR 86 6.853 11.079 10.770 651 HE1 TYR 86 HE2 TYR 86 2.736 11.000 13.547 652 HE2 TYR 86 HE1 TYR 86 6.615 12.646 12.679 653 HH TYR 86 HH TYR 86 5.266 13.388 14.378 654 H SER 87 H SER 87 1.303 8.344 9.191 655 HA SER 87 HA SER 87 0.572 11.177 9.027 656 HB2 SER 87 HB2 SER 87 0.909 10.407 6.623 657 HB3 SER 87 HB3 SER 87 -0.470 9.312 6.866 658 HG SER 87 HG SER 87 -1.061 11.376 5.995 659 H ARG 88 H ARG 88 -1.842 11.381 8.955 660 HA ARG 88 HA ARG 88 -3.113 9.704 11.073 661 HB2 ARG 88 HB2 ARG 88 -4.110 12.230 9.666 662 HB3 ARG 88 HB3 ARG 88 -4.847 11.460 11.071 663 HG2 ARG 88 HG2 ARG 88 -2.615 11.863 12.302 664 HG3 ARG 88 HG3 ARG 88 -2.150 12.857 10.915 665 HD2 ARG 88 HD2 ARG 88 -2.992 14.414 12.428 666 HD3 ARG 88 HD3 ARG 88 -4.331 14.164 11.296 667 HE ARG 88 HE ARG 88 -4.400 12.425 13.665 668 HH11 ARG 88 HH11 ARG 88 -5.412 15.572 12.535 669 HH12 ARG 88 HH12 ARG 88 -6.581 15.760 13.813 670 HH21 ARG 88 HH21 ARG 88 -5.880 12.721 15.278 671 HH22 ARG 88 HH22 ARG 88 -6.826 14.179 15.328 672 HA PRO 89 HA PRO 89 -5.509 7.409 8.163 673 HB2 PRO 89 HB2 PRO 89 -7.963 7.044 9.370 674 HB3 PRO 89 HB3 PRO 89 -6.449 6.228 9.865 675 HG2 PRO 89 HG2 PRO 89 -7.707 8.715 11.050 676 HG3 PRO 89 HG3 PRO 89 -7.083 7.273 11.912 677 HD2 PRO 89 HD2 PRO 89 -5.591 9.516 11.659 678 HD3 PRO 89 HD3 PRO 89 -4.836 7.903 11.520 679 H GLU 90 H GLU 90 -6.781 10.538 9.057 680 HA GLU 90 HA GLU 90 -9.069 10.596 7.295 681 HB2 GLU 90 HB2 GLU 90 -7.559 12.628 8.907 682 HB3 GLU 90 HB3 GLU 90 -8.544 13.211 7.567 683 HG2 GLU 90 HG2 GLU 90 -9.822 13.235 9.635 684 HG3 GLU 90 HG3 GLU 90 -10.536 12.159 8.441 685 HA PRO 91 HA PRO 91 -6.436 12.813 3.985 686 HB2 PRO 91 HB2 PRO 91 -3.679 12.809 4.148 687 HB3 PRO 91 HB3 PRO 91 -4.710 14.095 4.830 688 HG2 PRO 91 HG2 PRO 91 -3.508 11.696 6.226 689 HG3 PRO 91 HG3 PRO 91 -3.508 13.404 6.776 690 HD2 PRO 91 HD2 PRO 91 -5.274 11.597 7.706 691 HD3 PRO 91 HD3 PRO 91 -5.790 13.268 7.418 692 H VAL 92 H VAL 92 -6.031 9.782 5.201 693 HA VAL 92 HA VAL 92 -4.906 8.578 2.688 694 HB VAL 92 HB VAL 92 -5.470 7.235 5.360 695 HG11 VAL 92 HG11 VAL 92 -3.853 6.356 2.926 696 HG12 VAL 92 HG12 VAL 92 -3.942 5.489 4.474 697 HG13 VAL 92 HG13 VAL 92 -5.393 5.666 3.480 698 HG21 VAL 92 HG21 VAL 92 -3.119 7.309 5.871 699 HG22 VAL 92 HG22 VAL 92 -2.742 8.094 4.330 700 HG23 VAL 92 HG23 VAL 92 -3.635 8.968 5.582 701 H LYS 93 H LYS 93 -7.624 8.106 4.985 702 HA LYS 93 HA LYS 93 -9.099 6.444 3.166 703 HB2 LYS 93 HB2 LYS 93 -9.336 6.918 5.825 704 HB3 LYS 93 HB3 LYS 93 -10.623 7.978 5.238 705 HG2 LYS 93 HG2 LYS 93 -11.212 5.791 3.769 706 HG3 LYS 93 HG3 LYS 93 -10.347 4.972 5.076 707 HD2 LYS 93 HD2 LYS 93 -12.827 6.745 5.382 708 HD3 LYS 93 HD3 LYS 93 -12.784 4.985 5.326 709 HE2 LYS 93 HE2 LYS 93 -12.913 5.263 7.557 710 HE3 LYS 93 HE3 LYS 93 -11.172 5.110 7.322 711 HZ1 LYS 93 HZ1 LYS 93 -12.620 7.680 7.680 712 HZ2 LYS 93 HZ2 LYS 93 -10.995 7.538 7.508 713 HZ3 LYS 93 HZ3 LYS 93 -11.736 6.933 8.826 714 H ALA 94 H ALA 94 -9.350 9.919 3.847 715 HA ALA 94 HA ALA 94 -11.750 10.294 2.278 716 HB1 ALA 94 HB1 ALA 94 -11.131 11.622 4.295 717 HB2 ALA 94 HB2 ALA 94 -9.800 12.357 3.358 718 HB3 ALA 94 HB3 ALA 94 -11.487 12.621 2.872 719 H ILE 95 H ILE 95 -8.584 9.886 1.204 720 HA ILE 95 HA ILE 95 -8.396 11.603 -1.033 721 HB ILE 95 HB ILE 95 -7.586 8.673 -0.923 722 HG12 ILE 95 HG12 ILE 95 -5.872 11.127 -0.294 723 HG13 ILE 95 HG13 ILE 95 -6.609 10.103 0.930 724 HG21 ILE 95 HG21 ILE 95 -6.451 10.937 -2.643 725 HG22 ILE 95 HG22 ILE 95 -5.993 9.221 -2.691 726 HG23 ILE 95 HG23 ILE 95 -7.576 9.711 -3.241 727 HD11 ILE 95 HD11 ILE 95 -4.492 9.206 -1.061 728 HD12 ILE 95 HD12 ILE 95 -4.316 9.453 0.675 729 HD13 ILE 95 HD13 ILE 95 -5.339 8.136 0.084 730 H CYS 96 H CYS 96 -10.396 8.709 -0.529 731 HA CYS 96 HA CYS 96 -11.731 9.178 -3.163 732 HB2 CYS 96 HB2 CYS 96 -12.419 6.887 -3.100 733 HB3 CYS 96 HB3 CYS 96 -10.665 7.007 -2.978 734 H LYS 97 H LYS 97 -13.978 8.880 -3.266 735 HA LYS 97 HA LYS 97 -15.674 8.927 -0.878 736 HB2 LYS 97 HB2 LYS 97 -14.819 11.294 -1.188 737 HB3 LYS 97 HB3 LYS 97 -15.698 11.382 -2.702 738 HG2 LYS 97 HG2 LYS 97 -17.017 10.713 -0.023 739 HG3 LYS 97 HG3 LYS 97 -16.743 12.366 -0.570 740 HD2 LYS 97 HD2 LYS 97 -18.131 11.935 -2.596 741 HD3 LYS 97 HD3 LYS 97 -18.515 10.317 -1.965 742 HE2 LYS 97 HE2 LYS 97 -19.482 11.308 0.071 743 HE3 LYS 97 HE3 LYS 97 -19.058 12.929 -0.495 744 HZ1 LYS 97 HZ1 LYS 97 -20.960 11.100 -1.866 745 HZ2 LYS 97 HZ2 LYS 97 -20.571 12.605 -2.375 746 HZ3 LYS 97 HZ3 LYS 97 -21.379 12.399 -0.974 747 H GLY 98 H GLY 98 -16.910 7.283 -1.526 748 HA2 GLY 98 HA2 GLY 98 -18.784 6.348 -2.604 749 HA3 GLY 98 HA3 GLY 98 -18.700 7.583 -3.850 750 H ILE 99 H ILE 99 -15.635 6.191 -3.512 751 HA ILE 99 HA ILE 99 -15.841 4.865 -6.088 752 HB ILE 99 HB ILE 99 -13.490 5.087 -4.178 753 HG12 ILE 99 HG12 ILE 99 -14.319 6.622 -6.688 754 HG13 ILE 99 HG13 ILE 99 -14.231 7.247 -5.045 755 HG21 ILE 99 HG21 ILE 99 -13.208 3.095 -5.605 756 HG22 ILE 99 HG22 ILE 99 -13.660 4.038 -7.052 757 HG23 ILE 99 HG23 ILE 99 -12.155 4.363 -6.181 758 HD11 ILE 99 HD11 ILE 99 -12.327 8.098 -6.102 759 HD12 ILE 99 HD12 ILE 99 -11.699 6.748 -5.140 760 HD13 ILE 99 HD13 ILE 99 -11.937 6.558 -6.888 761 H ILE 100 H ILE 100 -16.724 3.023 -6.323 762 HA ILE 100 HA ILE 100 -16.144 0.704 -4.513 763 HB ILE 100 HB ILE 100 -18.342 0.769 -6.595 764 HG12 ILE 100 HG12 ILE 100 -18.480 1.780 -3.726 765 HG13 ILE 100 HG13 ILE 100 -18.825 2.694 -5.195 766 HG21 ILE 100 HG21 ILE 100 -19.307 -1.010 -5.261 767 HG22 ILE 100 HG22 ILE 100 -17.623 -1.430 -5.508 768 HG23 ILE 100 HG23 ILE 100 -18.140 -0.725 -3.958 769 HD11 ILE 100 HD11 ILE 100 -20.542 0.504 -4.004 770 HD12 ILE 100 HD12 ILE 100 -20.899 2.228 -4.157 771 HD13 ILE 100 HD13 ILE 100 -20.804 1.222 -5.618 772 H ALA 101 H ALA 101 -15.377 2.082 -7.458 773 HA ALA 101 HA ALA 101 -15.080 -0.191 -9.204 774 HB1 ALA 101 HB1 ALA 101 -14.311 1.506 -10.775 775 HB2 ALA 101 HB2 ALA 101 -15.722 2.116 -9.896 776 HB3 ALA 101 HB3 ALA 101 -14.085 2.676 -9.459 777 H SER 102 H SER 102 -13.376 -0.288 -6.751 778 HA SER 102 HA SER 102 -11.199 -0.499 -6.011 779 HB2 SER 102 HB2 SER 102 -10.126 -2.432 -7.053 780 HB3 SER 102 HB3 SER 102 -11.850 -2.637 -6.695 781 HG SER 102 HG SER 102 -11.278 -3.489 -8.742 782 H LYS 103 H LYS 103 -10.721 1.808 -6.556 783 HA LYS 103 HA LYS 103 -8.182 2.052 -8.004 784 HB2 LYS 103 HB2 LYS 103 -10.272 2.398 -9.642 785 HB3 LYS 103 HB3 LYS 103 -10.403 3.940 -8.836 786 HG2 LYS 103 HG2 LYS 103 -9.109 4.347 -10.772 787 HG3 LYS 103 HG3 LYS 103 -7.980 4.369 -9.429 788 HD2 LYS 103 HD2 LYS 103 -6.913 3.247 -11.202 789 HD3 LYS 103 HD3 LYS 103 -7.292 1.989 -10.043 790 HE2 LYS 103 HE2 LYS 103 -9.101 2.617 -12.422 791 HE3 LYS 103 HE3 LYS 103 -7.673 1.601 -12.594 792 HZ1 LYS 103 HZ1 LYS 103 -9.956 0.983 -10.795 793 HZ2 LYS 103 HZ2 LYS 103 -8.602 0.091 -10.911 794 HZ3 LYS 103 HZ3 LYS 103 -9.601 0.233 -12.198 795 H ASN 104 H ASN 104 -7.054 4.091 -7.432 796 HA ASN 104 HA ASN 104 -8.649 6.105 -6.057 797 HB2 ASN 104 HB2 ASN 104 -7.132 4.441 -4.504 798 HB3 ASN 104 HB3 ASN 104 -5.936 5.676 -4.845 799 HD21 ASN 104 HD21 ASN 104 -6.872 5.186 -2.254 800 HD22 ASN 104 HD22 ASN 104 -7.756 6.603 -1.732 801 H VAL 105 H VAL 105 -6.764 7.974 -5.521 802 HA VAL 105 HA VAL 105 -5.133 8.400 -7.984 803 HB VAL 105 HB VAL 105 -6.628 10.580 -6.461 804 HG11 VAL 105 HG11 VAL 105 -5.997 11.995 -8.397 805 HG12 VAL 105 HG12 VAL 105 -4.571 11.388 -7.565 806 HG13 VAL 105 HG13 VAL 105 -5.081 10.642 -9.096 807 HG21 VAL 105 HG21 VAL 105 -8.032 10.808 -8.507 808 HG22 VAL 105 HG22 VAL 105 -7.291 9.331 -9.165 809 HG23 VAL 105 HG23 VAL 105 -8.291 9.268 -7.696 810 H LEU 106 H LEU 106 -3.063 8.984 -7.567 811 HA LEU 106 HA LEU 106 -1.766 8.822 -5.114 812 HB2 LEU 106 HB2 LEU 106 -0.676 8.882 -7.357 813 HB3 LEU 106 HB3 LEU 106 -1.150 10.557 -7.552 814 HG LEU 106 HG LEU 106 0.352 11.098 -5.554 815 HD11 LEU 106 HD11 LEU 106 1.494 8.354 -6.078 816 HD12 LEU 106 HD12 LEU 106 0.418 8.738 -4.726 817 HD13 LEU 106 HD13 LEU 106 1.992 9.536 -4.839 818 HD21 LEU 106 HD21 LEU 106 1.037 11.581 -7.824 819 HD22 LEU 106 HD22 LEU 106 1.553 9.903 -8.062 820 HD23 LEU 106 HD23 LEU 106 2.417 10.949 -6.910 821 H THR 107 H THR 107 -1.282 10.184 -3.430 822 HA THR 107 HA THR 107 -2.894 12.507 -2.908 823 HB THR 107 HB THR 107 -0.594 12.750 -1.286 824 HG1 THR 107 HG1 THR 107 -1.419 10.070 -1.229 825 HG21 THR 107 HG21 THR 107 -2.128 11.786 0.474 826 HG22 THR 107 HG22 THR 107 -3.278 11.373 -0.805 827 HG23 THR 107 HG23 THR 107 -2.886 13.075 -0.483 828 H THR 108 H THR 108 -1.878 14.594 -2.169 829 HA THR 108 HA THR 108 -0.006 15.679 -4.262 830 HB THR 108 HB THR 108 -2.313 16.357 -4.634 831 HG1 THR 108 HG1 THR 108 -1.850 18.553 -4.814 832 HG21 THR 108 HG21 THR 108 -2.126 17.882 -1.998 833 HG22 THR 108 HG22 THR 108 -3.174 16.477 -2.304 834 HG23 THR 108 HG23 THR 108 -3.431 17.980 -3.195 835 H SER 109 H SER 109 -0.804 15.685 -0.848 836 HA SER 109 HA SER 109 1.172 17.688 -0.065 837 HB2 SER 109 HB2 SER 109 -0.318 15.611 1.586 838 HB3 SER 109 HB3 SER 109 0.574 17.000 2.225 839 HG SER 109 HG SER 109 -0.908 18.375 1.151 840 H GLU 110 H GLU 110 2.864 17.083 1.603 841 HA GLU 110 HA GLU 110 4.304 14.604 0.784 842 HB2 GLU 110 HB2 GLU 110 5.567 17.188 1.714 843 HB3 GLU 110 HB3 GLU 110 6.354 15.757 1.033 844 HG2 GLU 110 HG2 GLU 110 4.990 16.150 -1.082 845 HG3 GLU 110 HG3 GLU 110 4.533 17.717 -0.418 846 H PHE 111 H PHE 111 4.161 13.101 2.272 847 HA PHE 111 HA PHE 111 3.922 13.777 5.157 848 HB2 PHE 111 HB2 PHE 111 3.458 11.099 3.805 849 HB3 PHE 111 HB3 PHE 111 2.919 11.613 5.395 850 HD1 PHE 111 HD2 PHE 111 2.376 11.899 1.756 851 HD2 PHE 111 HD1 PHE 111 0.837 12.936 5.643 852 HE1 PHE 111 HE2 PHE 111 0.261 12.609 0.718 853 HE2 PHE 111 HE1 PHE 111 -1.308 13.624 4.601 854 HZ PHE 111 HZ PHE 111 -1.597 13.454 2.117 855 H TYR 112 H TYR 112 5.041 12.214 6.694 856 HA TYR 112 HA TYR 112 7.868 12.012 5.964 857 HB2 TYR 112 HB2 TYR 112 6.257 11.845 8.437 858 HB3 TYR 112 HB3 TYR 112 7.611 10.722 8.368 859 HD1 TYR 112 HD2 TYR 112 6.938 14.350 7.556 860 HD2 TYR 112 HD1 TYR 112 9.628 11.424 9.230 861 HE1 TYR 112 HE2 TYR 112 8.526 16.170 8.206 862 HE2 TYR 112 HE1 TYR 112 11.198 13.241 9.894 863 HH TYR 112 HH TYR 112 11.600 15.489 9.914 864 H LEU 113 H LEU 113 8.454 10.529 4.608 865 HA LEU 113 HA LEU 113 7.280 7.802 4.659 866 HB2 LEU 113 HB2 LEU 113 8.332 9.610 2.579 867 HB3 LEU 113 HB3 LEU 113 9.028 8.008 2.473 868 HG LEU 113 HG LEU 113 7.021 8.338 1.087 869 HD11 LEU 113 HD11 LEU 113 5.962 6.209 1.587 870 HD12 LEU 113 HD12 LEU 113 6.638 6.211 3.226 871 HD13 LEU 113 HD13 LEU 113 7.713 6.090 1.817 872 HD21 LEU 113 HD21 LEU 113 5.702 9.770 2.636 873 HD22 LEU 113 HD22 LEU 113 5.372 8.340 3.637 874 HD23 LEU 113 HD23 LEU 113 4.797 8.406 1.960 875 H SER 114 H SER 114 8.241 6.209 5.506 876 HA SER 114 HA SER 114 11.166 6.297 6.173 877 HB2 SER 114 HB2 SER 114 9.886 6.876 8.149 878 HB3 SER 114 HB3 SER 114 8.828 5.504 7.922 879 HG SER 114 HG SER 114 10.286 4.749 9.337 880 H ASP 115 H ASP 115 11.835 4.976 4.534 881 HA ASP 115 HA ASP 115 10.669 2.234 4.340 882 HB2 ASP 115 HB2 ASP 115 12.588 3.792 2.589 883 HB3 ASP 115 HB3 ASP 115 12.274 2.076 2.385 884 H CYS 116 H CYS 116 12.130 0.472 4.313 885 HA CYS 116 HA CYS 116 14.939 0.824 5.035 886 HB2 CYS 116 HB2 CYS 116 12.937 -0.294 6.934 887 HB3 CYS 116 HB3 CYS 116 14.335 -1.321 6.667 888 H ASN 117 H ASN 117 16.133 -0.649 3.937 889 HA ASN 117 HA ASN 117 14.688 -2.787 2.368 890 HB2 ASN 117 HB2 ASN 117 16.924 -0.866 1.582 891 HB3 ASN 117 HB3 ASN 117 16.594 -2.351 0.698 892 HD21 ASN 117 HD21 ASN 117 15.181 0.823 1.573 893 HD22 ASN 117 HD22 ASN 117 14.024 0.764 0.246 894 H VAL 118 H VAL 118 15.380 -4.829 2.648 895 HA VAL 118 HA VAL 118 17.280 -5.552 4.645 896 HB VAL 118 HB VAL 118 16.021 -7.061 2.362 897 HG11 VAL 118 HG11 VAL 118 18.145 -8.263 2.676 898 HG12 VAL 118 HG12 VAL 118 17.898 -8.274 4.442 899 HG13 VAL 118 HG13 VAL 118 16.826 -9.195 3.369 900 HG21 VAL 118 HG21 VAL 118 14.620 -6.487 4.294 901 HG22 VAL 118 HG22 VAL 118 14.858 -8.231 4.199 902 HG23 VAL 118 HG23 VAL 118 15.774 -7.284 5.387 903 H THR 119 H THR 119 19.343 -6.256 4.671 904 HA THR 119 HA THR 119 20.938 -6.300 2.162 905 HB THR 119 HB THR 119 21.376 -4.128 2.872 906 HG1 THR 119 HG1 THR 119 23.615 -4.298 3.188 907 HG21 THR 119 HG21 THR 119 22.276 -5.125 5.597 908 HG22 THR 119 HG22 THR 119 20.802 -4.186 5.255 909 HG23 THR 119 HG23 THR 119 22.388 -3.467 4.974 910 H SER 120 H SER 120 21.378 -8.295 1.999 911 HA SER 120 HA SER 120 21.770 -10.201 4.147 912 HB2 SER 120 HB2 SER 120 20.824 -10.687 1.842 913 HB3 SER 120 HB3 SER 120 22.467 -10.512 1.200 914 HG SER 120 HG SER 120 21.547 -12.387 3.174 Start of MODEL 15 1 H1 ARG 1 H1 ARG 1 20.009 -5.310 17.283 2 H2 ARG 1 H2 ARG 1 19.294 -3.865 17.647 3 H3 ARG 1 H3 ARG 1 18.670 -5.266 18.224 4 HA ARG 1 HA ARG 1 17.337 -4.432 16.453 5 HB2 ARG 1 HB2 ARG 1 18.168 -4.333 14.158 6 HB3 ARG 1 HB3 ARG 1 18.932 -3.152 15.172 7 HG2 ARG 1 HG2 ARG 1 20.532 -5.660 14.904 8 HG3 ARG 1 HG3 ARG 1 20.180 -4.844 13.392 9 HD2 ARG 1 HD2 ARG 1 22.235 -3.948 14.070 10 HD3 ARG 1 HD3 ARG 1 21.049 -2.695 14.371 11 HE ARG 1 HE ARG 1 21.465 -2.823 16.647 12 HH11 ARG 1 HH11 ARG 1 23.118 -5.526 15.142 13 HH12 ARG 1 HH12 ARG 1 24.090 -5.825 16.554 14 HH21 ARG 1 HH21 ARG 1 22.714 -3.292 18.420 15 HH22 ARG 1 HH22 ARG 1 23.849 -4.605 18.350 16 HA PRO 2 HA PRO 2 16.503 -8.743 15.846 17 HB2 PRO 2 HB2 PRO 2 14.384 -8.622 14.088 18 HB3 PRO 2 HB3 PRO 2 14.273 -8.257 15.826 19 HG2 PRO 2 HG2 PRO 2 14.560 -6.297 13.533 20 HG3 PRO 2 HG3 PRO 2 13.439 -6.226 14.926 21 HD2 PRO 2 HD2 PRO 2 15.753 -4.799 14.913 22 HD3 PRO 2 HD3 PRO 2 15.148 -5.575 16.402 23 H CYS 3 H CYS 3 16.610 -6.668 12.972 24 HA CYS 3 HA CYS 3 18.372 -8.554 11.531 25 HB2 CYS 3 HB2 CYS 3 16.260 -7.367 9.813 26 HB3 CYS 3 HB3 CYS 3 17.006 -8.951 9.776 27 H LYS 4 H LYS 4 19.184 -7.437 9.441 28 HA LYS 4 HA LYS 4 20.274 -4.795 10.233 29 HB2 LYS 4 HB2 LYS 4 20.868 -6.630 7.879 30 HB3 LYS 4 HB3 LYS 4 21.768 -5.178 8.307 31 HG2 LYS 4 HG2 LYS 4 21.542 -7.629 10.119 32 HG3 LYS 4 HG3 LYS 4 22.807 -7.432 8.923 33 HD2 LYS 4 HD2 LYS 4 22.353 -5.451 11.197 34 HD3 LYS 4 HD3 LYS 4 23.454 -6.835 11.268 35 HE2 LYS 4 HE2 LYS 4 24.614 -5.958 9.202 36 HE3 LYS 4 HE3 LYS 4 23.625 -4.498 9.315 37 HZ1 LYS 4 HZ1 LYS 4 25.514 -5.454 11.407 38 HZ2 LYS 4 HZ2 LYS 4 24.607 -4.096 11.519 39 HZ3 LYS 4 HZ3 LYS 4 25.783 -4.206 10.395 40 H TYR 5 H TYR 5 19.604 -2.906 9.390 41 HA TYR 5 HA TYR 5 18.252 -2.815 6.732 42 HB2 TYR 5 HB2 TYR 5 17.176 -1.533 9.274 43 HB3 TYR 5 HB3 TYR 5 16.540 -1.272 7.662 44 HD1 TYR 5 HD2 TYR 5 15.319 -3.084 6.444 45 HD2 TYR 5 HD1 TYR 5 16.643 -3.565 10.522 46 HE1 TYR 5 HE2 TYR 5 13.758 -4.975 6.713 47 HE2 TYR 5 HE1 TYR 5 15.005 -5.438 10.812 48 HH TYR 5 HH TYR 5 13.018 -6.598 8.067 49 H LYS 6 H LYS 6 18.234 -0.885 5.690 50 HA LYS 6 HA LYS 6 20.458 0.998 6.234 51 HB2 LYS 6 HB2 LYS 6 18.541 0.692 3.885 52 HB3 LYS 6 HB3 LYS 6 19.960 1.742 3.907 53 HG2 LYS 6 HG2 LYS 6 21.469 -0.032 3.682 54 HG3 LYS 6 HG3 LYS 6 20.408 -1.190 4.464 55 HD2 LYS 6 HD2 LYS 6 20.442 -1.856 2.199 56 HD3 LYS 6 HD3 LYS 6 18.876 -1.149 2.515 57 HE2 LYS 6 HE2 LYS 6 19.489 -0.288 0.410 58 HE3 LYS 6 HE3 LYS 6 19.800 1.048 1.519 59 HZ1 LYS 6 HZ1 LYS 6 21.848 -0.838 0.459 60 HZ2 LYS 6 HZ2 LYS 6 22.172 0.386 1.494 61 HZ3 LYS 6 HZ3 LYS 6 21.654 0.707 -0.020 62 H LEU 7 H LEU 7 20.205 3.240 6.060 63 HA LEU 7 HA LEU 7 17.766 4.368 7.301 64 HB2 LEU 7 HB2 LEU 7 20.622 5.081 7.177 65 HB3 LEU 7 HB3 LEU 7 19.620 6.448 6.761 66 HG LEU 7 HG LEU 7 20.179 6.438 9.112 67 HD11 LEU 7 HD11 LEU 7 18.025 7.431 8.380 68 HD12 LEU 7 HD12 LEU 7 17.993 6.844 10.050 69 HD13 LEU 7 HD13 LEU 7 17.199 5.904 8.775 70 HD21 LEU 7 HD21 LEU 7 20.339 4.001 9.486 71 HD22 LEU 7 HD22 LEU 7 18.569 3.865 9.385 72 HD23 LEU 7 HD23 LEU 7 19.319 4.806 10.690 73 H LYS 8 H LYS 8 16.132 4.874 6.115 74 HA LYS 8 HA LYS 8 16.493 6.626 3.735 75 HB2 LYS 8 HB2 LYS 8 16.186 4.258 2.995 76 HB3 LYS 8 HB3 LYS 8 14.657 4.203 3.860 77 HG2 LYS 8 HG2 LYS 8 14.185 4.548 1.545 78 HG3 LYS 8 HG3 LYS 8 13.809 6.066 2.365 79 HD2 LYS 8 HD2 LYS 8 15.947 7.037 1.574 80 HD3 LYS 8 HD3 LYS 8 16.385 5.481 0.832 81 HE2 LYS 8 HE2 LYS 8 14.354 5.618 -0.608 82 HE3 LYS 8 HE3 LYS 8 13.943 7.176 0.119 83 HZ1 LYS 8 HZ1 LYS 8 16.412 6.624 -1.446 84 HZ2 LYS 8 HZ2 LYS 8 16.031 8.067 -0.778 85 HZ3 LYS 8 HZ3 LYS 8 15.120 7.460 -1.986 86 H LYS 9 H LYS 9 15.573 8.456 4.219 87 HA LYS 9 HA LYS 9 12.797 8.560 5.356 88 HB2 LYS 9 HB2 LYS 9 15.072 10.439 6.131 89 HB3 LYS 9 HB3 LYS 9 13.413 10.530 6.716 90 HG2 LYS 9 HG2 LYS 9 15.333 8.220 7.260 91 HG3 LYS 9 HG3 LYS 9 15.044 9.557 8.354 92 HD2 LYS 9 HD2 LYS 9 12.880 8.876 8.908 93 HD3 LYS 9 HD3 LYS 9 12.670 7.930 7.443 94 HE2 LYS 9 HE2 LYS 9 14.942 6.886 8.919 95 HE3 LYS 9 HE3 LYS 9 13.568 7.034 10.014 96 HZ1 LYS 9 HZ1 LYS 9 13.634 4.873 8.811 97 HZ2 LYS 9 HZ2 LYS 9 13.416 5.629 7.381 98 HZ3 LYS 9 HZ3 LYS 9 12.249 5.686 8.539 99 H SER 10 H SER 10 11.482 10.200 4.642 100 HA SER 10 HA SER 10 12.322 12.173 2.617 101 HB2 SER 10 HB2 SER 10 10.629 9.720 1.975 102 HB3 SER 10 HB3 SER 10 10.555 11.198 1.002 103 HG SER 10 HG SER 10 13.089 10.148 1.562 104 H THR 11 H THR 11 10.308 13.384 1.784 105 HA THR 11 HA THR 11 8.001 13.270 3.624 106 HB THR 11 HB THR 11 9.246 15.972 3.053 107 HG1 THR 11 HG1 THR 11 9.963 15.913 5.184 108 HG21 THR 11 HG21 THR 11 7.252 14.948 5.125 109 HG22 THR 11 HG22 THR 11 6.796 15.781 3.625 110 HG23 THR 11 HG23 THR 11 7.724 16.646 4.867 111 H ASN 12 H ASN 12 6.377 12.864 2.257 112 HA ASN 12 HA ASN 12 5.646 14.518 0.012 113 HB2 ASN 12 HB2 ASN 12 6.151 12.754 -1.789 114 HB3 ASN 12 HB3 ASN 12 7.499 13.656 -1.147 115 HD21 ASN 12 HD21 ASN 12 5.854 10.632 0.187 116 HD22 ASN 12 HD22 ASN 12 7.389 9.787 0.089 117 H LYS 13 H LYS 13 3.993 13.432 -1.392 118 HA LYS 13 HA LYS 13 1.819 12.103 -0.061 119 HB2 LYS 13 HB2 LYS 13 1.018 11.787 -2.485 120 HB3 LYS 13 HB3 LYS 13 1.204 13.402 -1.867 121 HG2 LYS 13 HG2 LYS 13 3.621 12.440 -3.254 122 HG3 LYS 13 HG3 LYS 13 2.173 12.379 -4.258 123 HD2 LYS 13 HD2 LYS 13 1.723 14.703 -3.967 124 HD3 LYS 13 HD3 LYS 13 2.912 14.862 -2.688 125 HE2 LYS 13 HE2 LYS 13 3.739 15.841 -4.781 126 HE3 LYS 13 HE3 LYS 13 4.770 14.521 -4.235 127 HZ1 LYS 13 HZ1 LYS 13 2.689 14.193 -6.333 128 HZ2 LYS 13 HZ2 LYS 13 3.867 13.104 -5.940 129 HZ3 LYS 13 HZ3 LYS 13 4.256 14.505 -6.657 130 H PHE 14 H PHE 14 0.790 10.154 -1.102 131 HA PHE 14 HA PHE 14 2.603 7.891 -1.716 132 HB2 PHE 14 HB2 PHE 14 1.396 6.498 0.038 133 HB3 PHE 14 HB3 PHE 14 2.573 7.659 0.623 134 HD1 PHE 14 HD2 PHE 14 -1.130 7.122 0.206 135 HD2 PHE 14 HD1 PHE 14 1.989 9.339 2.197 136 HE1 PHE 14 HE2 PHE 14 -2.823 8.215 1.656 137 HE2 PHE 14 HE1 PHE 14 0.285 10.389 3.666 138 HZ PHE 14 HZ PHE 14 -2.115 9.936 3.328 139 H CYS 15 H CYS 15 1.631 6.219 -2.847 140 HA CYS 15 HA CYS 15 -1.173 6.752 -3.770 141 HB2 CYS 15 HB2 CYS 15 0.771 6.745 -5.501 142 HB3 CYS 15 HB3 CYS 15 0.698 5.000 -5.340 143 H VAL 16 H VAL 16 -2.601 5.179 -3.939 144 HA VAL 16 HA VAL 16 -2.238 2.503 -2.677 145 HB VAL 16 HB VAL 16 -4.102 2.959 -1.075 146 HG11 VAL 16 HG11 VAL 16 -1.616 4.642 -0.576 147 HG12 VAL 16 HG12 VAL 16 -2.798 4.118 0.631 148 HG13 VAL 16 HG13 VAL 16 -1.824 2.912 -0.226 149 HG21 VAL 16 HG21 VAL 16 -3.529 5.914 -1.460 150 HG22 VAL 16 HG22 VAL 16 -4.875 5.079 -2.243 151 HG23 VAL 16 HG23 VAL 16 -4.782 5.138 -0.467 152 H THR 17 H THR 17 -4.576 1.408 -2.495 153 HA THR 17 HA THR 17 -6.270 2.227 -4.850 154 HB THR 17 HB THR 17 -6.123 -0.602 -3.890 155 HG1 THR 17 HG1 THR 17 -4.404 0.568 -5.826 156 HG21 THR 17 HG21 THR 17 -6.584 0.538 -6.646 157 HG22 THR 17 HG22 THR 17 -7.859 0.011 -5.504 158 HG23 THR 17 HG23 THR 17 -6.702 -1.160 -6.157 159 H CYS 18 H CYS 18 -8.367 2.785 -4.304 160 HA CYS 18 HA CYS 18 -9.439 2.018 -1.650 161 HB2 CYS 18 HB2 CYS 18 -10.033 4.231 -3.575 162 HB3 CYS 18 HB3 CYS 18 -11.381 3.522 -2.700 163 H GLU 19 H GLU 19 -10.960 0.582 -1.385 164 HA GLU 19 HA GLU 19 -12.689 -0.239 -3.638 165 HB2 GLU 19 HB2 GLU 19 -10.743 -1.891 -3.350 166 HB3 GLU 19 HB3 GLU 19 -11.437 -2.288 -1.773 167 HG2 GLU 19 HG2 GLU 19 -13.653 -2.712 -3.024 168 HG3 GLU 19 HG3 GLU 19 -12.738 -2.578 -4.517 169 H ASN 20 H ASN 20 -14.672 0.103 -2.985 170 HA ASN 20 HA ASN 20 -16.497 0.593 -1.719 171 HB2 ASN 20 HB2 ASN 20 -15.390 -1.594 0.074 172 HB3 ASN 20 HB3 ASN 20 -16.912 -0.772 0.371 173 HD21 ASN 20 HD21 ASN 20 -15.254 -2.563 -2.318 174 HD22 ASN 20 HD22 ASN 20 -16.768 -3.289 -2.849 175 H GLN 21 H GLN 21 -14.766 2.470 -1.700 176 HA GLN 21 HA GLN 21 -14.394 4.525 -0.838 177 HB2 GLN 21 HB2 GLN 21 -16.390 3.839 1.341 178 HB3 GLN 21 HB3 GLN 21 -15.899 5.433 0.775 179 HG2 GLN 21 HG2 GLN 21 -17.790 5.323 -0.455 180 HG3 GLN 21 HG3 GLN 21 -16.783 4.400 -1.572 181 HE21 GLN 21 HE21 GLN 21 -17.973 2.640 -2.310 182 HE22 GLN 21 HE22 GLN 21 -19.096 1.754 -1.275 183 H ALA 22 H ALA 22 -12.558 2.428 0.108 184 HA ALA 22 HA ALA 22 -11.309 3.835 2.289 185 HB1 ALA 22 HB1 ALA 22 -11.344 1.918 3.834 186 HB2 ALA 22 HB2 ALA 22 -12.987 2.462 3.493 187 HB3 ALA 22 HB3 ALA 22 -12.369 1.001 2.692 188 HA PRO 23 HA PRO 23 -8.067 1.993 -0.181 189 HB2 PRO 23 HB2 PRO 23 -5.889 3.104 0.940 190 HB3 PRO 23 HB3 PRO 23 -7.140 4.023 0.016 191 HG2 PRO 23 HG2 PRO 23 -6.967 3.723 3.029 192 HG3 PRO 23 HG3 PRO 23 -7.084 5.230 2.071 193 HD2 PRO 23 HD2 PRO 23 -9.285 3.976 3.135 194 HD3 PRO 23 HD3 PRO 23 -9.336 4.841 1.568 195 H VAL 24 H VAL 24 -8.035 -0.123 0.017 196 HA VAL 24 HA VAL 24 -6.964 -1.430 2.468 197 HB VAL 24 HB VAL 24 -8.101 -3.403 1.873 198 HG11 VAL 24 HG11 VAL 24 -10.324 -2.810 2.198 199 HG12 VAL 24 HG12 VAL 24 -9.444 -1.406 2.823 200 HG13 VAL 24 HG13 VAL 24 -10.198 -1.316 1.239 201 HG21 VAL 24 HG21 VAL 24 -7.881 -3.408 -0.598 202 HG22 VAL 24 HG22 VAL 24 -9.540 -3.684 -0.072 203 HG23 VAL 24 HG23 VAL 24 -9.065 -2.090 -0.710 204 H HIS 25 H HIS 25 -5.388 -0.221 0.035 205 HA HIS 25 HA HIS 25 -3.502 -2.496 -0.194 206 HB2 HIS 25 HB2 HIS 25 -5.285 -2.726 -2.047 207 HB3 HIS 25 HB3 HIS 25 -4.743 -1.162 -2.598 208 HD1 HIS 25 HD1 HIS 25 -3.427 -1.514 -4.734 209 HD2 HIS 25 HD2 HIS 25 -2.632 -4.354 -1.700 210 HE1 HIS 25 HE1 HIS 25 -1.478 -3.012 -5.596 211 HE2 HIS 25 HE2 HIS 25 -1.013 -4.744 -3.732 212 H PHE 26 H PHE 26 -1.423 -1.853 -0.749 213 HA PHE 26 HA PHE 26 -0.897 1.079 -0.952 214 HB2 PHE 26 HB2 PHE 26 0.116 -0.121 0.977 215 HB3 PHE 26 HB3 PHE 26 0.882 -1.250 -0.125 216 HD1 PHE 26 HD1 PHE 26 0.594 2.531 0.128 217 HD2 PHE 26 HD2 PHE 26 3.193 -0.900 -0.288 218 HE1 PHE 26 HE1 PHE 26 2.550 4.027 -0.017 219 HE2 PHE 26 HE2 PHE 26 5.154 0.615 -0.401 220 HZ PHE 26 HZ PHE 26 4.833 3.067 -0.275 221 H VAL 27 H VAL 27 0.093 1.932 -2.709 222 HA VAL 27 HA VAL 27 1.007 0.059 -4.882 223 HB VAL 27 HB VAL 27 0.014 2.898 -5.218 224 HG11 VAL 27 HG11 VAL 27 0.842 0.752 -7.219 225 HG12 VAL 27 HG12 VAL 27 0.009 2.250 -7.651 226 HG13 VAL 27 HG13 VAL 27 1.630 2.323 -6.954 227 HG21 VAL 27 HG21 VAL 27 -1.931 1.941 -6.309 228 HG22 VAL 27 HG22 VAL 27 -1.345 0.289 -5.987 229 HG23 VAL 27 HG23 VAL 27 -1.847 1.348 -4.651 230 H GLY 28 H GLY 28 1.860 3.287 -3.411 231 HA2 GLY 28 HA2 GLY 28 4.678 2.831 -3.597 232 HA3 GLY 28 HA3 GLY 28 4.131 3.671 -5.050 233 H VAL 29 H VAL 29 5.771 5.136 -4.134 234 HA VAL 29 HA VAL 29 4.730 7.046 -2.066 235 HB VAL 29 HB VAL 29 7.616 6.135 -2.445 236 HG11 VAL 29 HG11 VAL 29 6.245 7.924 -0.411 237 HG12 VAL 29 HG12 VAL 29 7.917 7.325 -0.257 238 HG13 VAL 29 HG13 VAL 29 7.498 8.407 -1.589 239 HG21 VAL 29 HG21 VAL 29 7.315 5.096 -0.190 240 HG22 VAL 29 HG22 VAL 29 5.570 5.436 -0.300 241 HG23 VAL 29 HG23 VAL 29 6.356 4.310 -1.440 242 H GLY 30 H GLY 30 4.653 9.132 -2.669 243 HA2 GLY 30 HA2 GLY 30 5.163 11.118 -3.693 244 HA3 GLY 30 HA3 GLY 30 6.615 10.393 -4.341 245 H SER 31 H SER 31 4.399 8.387 -5.483 246 HA SER 31 HA SER 31 3.608 9.515 -8.027 247 HB2 SER 31 HB2 SER 31 6.020 7.644 -7.803 248 HB3 SER 31 HB3 SER 31 5.185 8.046 -9.311 249 HG SER 31 HG SER 31 5.756 10.249 -8.954 250 H CYS 32 H CYS 32 2.860 7.545 -9.442 251 HA CYS 32 HA CYS 32 2.017 5.248 -7.746 252 HB2 CYS 32 HB2 CYS 32 0.277 7.177 -8.321 253 HB3 CYS 32 HB3 CYS 32 0.190 6.331 -9.865 254 H GLY 33 H GLY 33 2.398 3.330 -8.588 255 HA2 GLY 33 HA2 GLY 33 3.553 3.108 -11.350 256 HA3 GLY 33 HA3 GLY 33 3.987 2.109 -9.967 257 H SER 34 H SER 34 3.497 0.823 -12.211 258 HA SER 34 HA SER 34 1.138 -0.814 -11.615 259 HB2 SER 34 HB2 SER 34 0.411 1.021 -13.220 260 HB3 SER 34 HB3 SER 34 1.508 0.311 -14.416 261 HG SER 34 HG SER 34 -0.693 -0.474 -14.545 262 H GLY 35 H GLY 35 1.106 -2.632 -13.436 263 HA2 GLY 35 HA2 GLY 35 3.581 -3.553 -14.565 264 HA3 GLY 35 HA3 GLY 35 3.291 -4.374 -13.025 265 H GLY 36 H GLY 36 3.431 -6.072 -14.926 266 HA2 GLY 36 HA2 GLY 36 0.675 -6.981 -15.625 267 HA3 GLY 36 HA3 GLY 36 1.829 -6.700 -16.927 268 H SER 37 H SER 37 2.210 -8.176 -13.697 269 HA SER 37 HA SER 37 2.991 -10.805 -14.908 270 HB2 SER 37 HB2 SER 37 4.482 -9.364 -12.677 271 HB3 SER 37 HB3 SER 37 4.857 -10.974 -13.315 272 HG SER 37 HG SER 37 5.272 -9.998 -15.350 273 H GLY 38 H GLY 38 2.987 -12.595 -13.372 274 HA2 GLY 38 HA2 GLY 38 0.557 -12.648 -11.770 275 HA3 GLY 38 HA3 GLY 38 1.631 -13.993 -12.134 276 H ILE 39 H ILE 39 3.153 -11.268 -10.709 277 HA ILE 39 HA ILE 39 4.216 -12.748 -8.507 278 HB ILE 39 HB ILE 39 4.143 -9.767 -9.053 279 HG12 ILE 39 HG12 ILE 39 6.411 -11.758 -9.557 280 HG13 ILE 39 HG13 ILE 39 5.270 -11.278 -10.804 281 HG21 ILE 39 HG21 ILE 39 6.114 -9.595 -7.538 282 HG22 ILE 39 HG22 ILE 39 4.675 -10.100 -6.689 283 HG23 ILE 39 HG23 ILE 39 5.925 -11.306 -7.118 284 HD11 ILE 39 HD11 ILE 39 5.973 -8.893 -10.533 285 HD12 ILE 39 HD12 ILE 39 7.262 -9.446 -9.435 286 HD13 ILE 39 HD13 ILE 39 7.243 -9.987 -11.117 287 H PHE 40 H PHE 40 3.756 -12.798 -6.425 288 HA PHE 40 HA PHE 40 1.510 -11.237 -5.238 289 HB2 PHE 40 HB2 PHE 40 0.923 -13.638 -6.199 290 HB3 PHE 40 HB3 PHE 40 1.645 -14.201 -4.705 291 HD1 PHE 40 HD1 PHE 40 -1.091 -12.227 -6.246 292 HD2 PHE 40 HD2 PHE 40 0.446 -13.850 -2.559 293 HE1 PHE 40 HE1 PHE 40 -3.271 -11.778 -5.141 294 HE2 PHE 40 HE2 PHE 40 -1.732 -13.387 -1.451 295 HZ PHE 40 HZ PHE 40 -3.592 -12.350 -2.739 296 H LEU 41 H LEU 41 4.596 -11.470 -4.941 297 HA LEU 41 HA LEU 41 5.081 -12.474 -2.275 298 HB2 LEU 41 HB2 LEU 41 6.646 -10.846 -4.308 299 HB3 LEU 41 HB3 LEU 41 7.244 -10.967 -2.673 300 HG LEU 41 HG LEU 41 8.334 -12.550 -4.140 301 HD11 LEU 41 HD11 LEU 41 8.069 -13.062 -1.723 302 HD12 LEU 41 HD12 LEU 41 8.213 -14.505 -2.739 303 HD13 LEU 41 HD13 LEU 41 6.626 -14.032 -2.106 304 HD21 LEU 41 HD21 LEU 41 5.674 -14.003 -4.413 305 HD22 LEU 41 HD22 LEU 41 7.251 -14.527 -5.030 306 HD23 LEU 41 HD23 LEU 41 6.493 -13.078 -5.700 307 H GLU 42 H GLU 42 3.797 -9.468 -3.348 308 HA GLU 42 HA GLU 42 4.358 -7.886 -0.976 309 HB2 GLU 42 HB2 GLU 42 2.545 -6.450 -1.790 310 HB3 GLU 42 HB3 GLU 42 3.696 -6.829 -3.072 311 HG2 GLU 42 HG2 GLU 42 2.142 -8.517 -4.005 312 HG3 GLU 42 HG3 GLU 42 1.017 -8.229 -2.674 313 H THR 43 H THR 43 2.599 -7.153 0.550 314 HA THR 43 HA THR 43 1.383 -9.286 1.972 315 HB THR 43 HB THR 43 0.601 -6.356 2.003 316 HG1 THR 43 HG1 THR 43 2.666 -7.721 3.380 317 HG21 THR 43 HG21 THR 43 -0.917 -7.702 3.374 318 HG22 THR 43 HG22 THR 43 0.169 -6.798 4.437 319 HG23 THR 43 HG23 THR 43 0.458 -8.525 4.149 320 H SER 44 H SER 44 0.133 -7.354 -0.672 321 HA SER 44 HA SER 44 -1.893 -7.085 -1.662 322 HB2 SER 44 HB2 SER 44 -0.950 -9.303 -2.446 323 HB3 SER 44 HB3 SER 44 -2.160 -10.084 -1.414 324 HG SER 44 HG SER 44 -2.879 -9.708 -3.596 325 H LEU 45 H LEU 45 -2.419 -6.126 0.615 326 HA LEU 45 HA LEU 45 -4.370 -7.294 2.302 327 HB2 LEU 45 HB2 LEU 45 -3.801 -4.379 1.639 328 HB3 LEU 45 HB3 LEU 45 -4.998 -4.862 2.821 329 HG LEU 45 HG LEU 45 -2.823 -6.285 3.735 330 HD11 LEU 45 HD11 LEU 45 -1.758 -3.642 2.603 331 HD12 LEU 45 HD12 LEU 45 -1.320 -5.251 2.004 332 HD13 LEU 45 HD13 LEU 45 -0.869 -4.762 3.650 333 HD21 LEU 45 HD21 LEU 45 -3.462 -3.381 4.318 334 HD22 LEU 45 HD22 LEU 45 -2.548 -4.477 5.386 335 HD23 LEU 45 HD23 LEU 45 -4.268 -4.769 5.063 336 H SER 46 H SER 46 -4.804 -6.132 -0.854 337 HA SER 46 HA SER 46 -7.590 -5.565 -1.031 338 HB2 SER 46 HB2 SER 46 -5.830 -5.189 -2.789 339 HB3 SER 46 HB3 SER 46 -5.844 -6.934 -3.111 340 HG SER 46 HG SER 46 -7.222 -5.739 -4.528 341 H ALA 47 H ALA 47 -5.964 -8.675 -0.685 342 HA ALA 47 HA ALA 47 -8.613 -10.047 -0.629 343 HB1 ALA 47 HB1 ALA 47 -7.583 -10.543 -2.783 344 HB2 ALA 47 HB2 ALA 47 -6.091 -11.082 -1.972 345 HB3 ALA 47 HB3 ALA 47 -7.612 -11.979 -1.740 346 H GLY 48 H GLY 48 -8.922 -10.567 1.381 347 HA2 GLY 48 HA2 GLY 48 -8.627 -11.966 3.271 348 HA3 GLY 48 HA3 GLY 48 -6.914 -12.121 2.924 349 H SER 49 H SER 49 -7.730 -8.832 2.793 350 HA SER 49 HA SER 49 -7.562 -8.356 5.709 351 HB2 SER 49 HB2 SER 49 -5.244 -8.149 4.310 352 HB3 SER 49 HB3 SER 49 -5.912 -6.504 4.087 353 HG SER 49 HG SER 49 -4.584 -6.963 6.054 354 H ASP 50 H ASP 50 -7.325 -5.575 5.604 355 HA ASP 50 HA ASP 50 -9.484 -4.439 4.065 356 HB2 ASP 50 HB2 ASP 50 -10.371 -5.778 6.259 357 HB3 ASP 50 HB3 ASP 50 -9.914 -4.278 7.048 358 H TRP 51 H TRP 51 -9.803 -2.234 4.784 359 HA TRP 51 HA TRP 51 -7.507 -0.530 5.001 360 HB2 TRP 51 HB2 TRP 51 -9.227 0.598 4.092 361 HB3 TRP 51 HB3 TRP 51 -10.454 -0.235 5.016 362 HD1 TRP 51 HD1 TRP 51 -11.491 0.990 6.998 363 HE1 TRP 51 HE1 TRP 51 -11.098 3.247 8.180 364 HE3 TRP 51 HE3 TRP 51 -7.005 2.241 4.896 365 HZ2 TRP 51 HZ2 TRP 51 -9.100 5.323 8.194 366 HZ3 TRP 51 HZ3 TRP 51 -5.844 4.334 5.551 367 HH2 TRP 51 HH2 TRP 51 -6.891 5.901 7.160 368 H LEU 52 H LEU 52 -9.678 -1.820 7.479 369 HA LEU 52 HA LEU 52 -8.875 -0.216 9.659 370 HB2 LEU 52 HB2 LEU 52 -10.764 -2.141 9.223 371 HB3 LEU 52 HB3 LEU 52 -9.627 -3.072 10.170 372 HG LEU 52 HG LEU 52 -11.383 -2.168 11.538 373 HD11 LEU 52 HD11 LEU 52 -10.167 -1.060 13.297 374 HD12 LEU 52 HD12 LEU 52 -8.881 -0.565 12.182 375 HD13 LEU 52 HD13 LEU 52 -9.119 -2.287 12.565 376 HD21 LEU 52 HD21 LEU 52 -10.548 0.652 10.764 377 HD22 LEU 52 HD22 LEU 52 -11.839 0.171 11.878 378 HD23 LEU 52 HD23 LEU 52 -11.981 -0.206 10.155 379 H THR 53 H THR 53 -7.498 -3.311 8.503 380 HA THR 53 HA THR 53 -5.271 -3.220 10.427 381 HB THR 53 HB THR 53 -4.544 -5.270 9.027 382 HG1 THR 53 HG1 THR 53 -5.941 -6.014 7.605 383 HG21 THR 53 HG21 THR 53 -7.167 -5.314 10.587 384 HG22 THR 53 HG22 THR 53 -5.534 -5.431 11.277 385 HG23 THR 53 HG23 THR 53 -6.146 -6.722 10.229 386 H PHE 54 H PHE 54 -5.770 -2.361 7.015 387 HA PHE 54 HA PHE 54 -3.139 -2.129 6.089 388 HB2 PHE 54 HB2 PHE 54 -5.087 -1.705 4.665 389 HB3 PHE 54 HB3 PHE 54 -5.546 -0.346 5.671 390 HD1 PHE 54 HD1 PHE 54 -3.199 -1.424 3.044 391 HD2 PHE 54 HD2 PHE 54 -4.585 1.831 5.504 392 HE1 PHE 54 HE1 PHE 54 -1.972 0.198 1.618 393 HE2 PHE 54 HE2 PHE 54 -3.366 3.453 4.049 394 HZ PHE 54 HZ PHE 54 -2.037 2.624 2.135 395 H GLN 55 H GLN 55 -4.886 0.179 8.110 396 HA GLN 55 HA GLN 55 -2.850 2.161 8.390 397 HB2 GLN 55 HB2 GLN 55 -5.025 1.210 10.292 398 HB3 GLN 55 HB3 GLN 55 -4.018 2.632 10.603 399 HG2 GLN 55 HG2 GLN 55 -4.943 3.856 8.818 400 HG3 GLN 55 HG3 GLN 55 -5.541 2.412 7.993 401 HE21 GLN 55 HE21 GLN 55 -7.469 1.431 8.623 402 HE22 GLN 55 HE22 GLN 55 -8.564 2.247 9.727 403 H LYS 56 H LYS 56 -3.663 -0.421 10.720 404 HA LYS 56 HA LYS 56 -1.293 -0.065 12.308 405 HB2 LYS 56 HB2 LYS 56 -2.882 -2.650 12.109 406 HB3 LYS 56 HB3 LYS 56 -1.842 -2.140 13.429 407 HG2 LYS 56 HG2 LYS 56 -4.499 -0.878 12.634 408 HG3 LYS 56 HG3 LYS 56 -4.157 -1.858 14.058 409 HD2 LYS 56 HD2 LYS 56 -2.556 -0.099 14.860 410 HD3 LYS 56 HD3 LYS 56 -3.015 0.911 13.470 411 HE2 LYS 56 HE2 LYS 56 -5.388 0.850 14.223 412 HE3 LYS 56 HE3 LYS 56 -4.910 -0.114 15.627 413 HZ1 LYS 56 HZ1 LYS 56 -5.059 2.242 16.190 414 HZ2 LYS 56 HZ2 LYS 56 -3.963 2.648 15.052 415 HZ3 LYS 56 HZ3 LYS 56 -3.510 1.754 16.345 416 H LYS 57 H LYS 57 -1.583 -1.816 9.372 417 HA LYS 57 HA LYS 57 0.782 -3.449 9.530 418 HB2 LYS 57 HB2 LYS 57 -1.157 -3.667 7.952 419 HB3 LYS 57 HB3 LYS 57 -0.538 -2.323 7.021 420 HG2 LYS 57 HG2 LYS 57 0.942 -4.949 7.520 421 HG3 LYS 57 HG3 LYS 57 -0.108 -4.624 6.146 422 HD2 LYS 57 HD2 LYS 57 1.447 -2.669 5.555 423 HD3 LYS 57 HD3 LYS 57 2.586 -3.372 6.733 424 HE2 LYS 57 HE2 LYS 57 2.449 -5.546 5.500 425 HE3 LYS 57 HE3 LYS 57 1.399 -4.782 4.309 426 HZ1 LYS 57 HZ1 LYS 57 3.217 -3.262 3.762 427 HZ2 LYS 57 HZ2 LYS 57 3.685 -4.818 3.573 428 HZ3 LYS 57 HZ3 LYS 57 4.196 -3.961 4.876 429 H HIS 58 H HIS 58 0.422 -0.155 8.031 430 HA HIS 58 HA HIS 58 3.321 0.302 8.530 431 HB2 HIS 58 HB2 HIS 58 3.897 0.589 6.267 432 HB3 HIS 58 HB3 HIS 58 3.055 -0.940 6.342 433 HD1 HIS 58 HD1 HIS 58 3.027 2.278 4.601 434 HD2 HIS 58 HD2 HIS 58 0.182 -0.650 5.679 435 HE1 HIS 58 HE1 HIS 58 0.855 2.747 3.216 436 HE2 HIS 58 HE2 HIS 58 -0.849 0.955 3.916 437 H ILE 59 H ILE 59 0.734 1.658 9.395 438 HA ILE 59 HA ILE 59 1.600 4.437 8.712 439 HB ILE 59 HB ILE 59 -1.314 3.627 8.958 440 HG12 ILE 59 HG12 ILE 59 0.476 3.966 6.536 441 HG13 ILE 59 HG13 ILE 59 -0.633 2.656 6.909 442 HG21 ILE 59 HG21 ILE 59 -1.795 5.905 8.221 443 HG22 ILE 59 HG22 ILE 59 -0.809 5.969 9.653 444 HG23 ILE 59 HG23 ILE 59 -0.061 6.251 8.064 445 HD11 ILE 59 HD11 ILE 59 -1.447 3.980 5.061 446 HD12 ILE 59 HD12 ILE 59 -2.556 4.172 6.445 447 HD13 ILE 59 HD13 ILE 59 -1.401 5.464 6.007 448 H THR 60 H THR 60 1.495 5.894 10.336 449 HA THR 60 HA THR 60 0.482 5.033 13.008 450 HB THR 60 HB THR 60 2.770 4.238 13.018 451 HG1 THR 60 HG1 THR 60 3.427 5.464 14.854 452 HG21 THR 60 HG21 THR 60 3.648 7.134 12.601 453 HG22 THR 60 HG22 THR 60 3.839 5.819 11.420 454 HG23 THR 60 HG23 THR 60 4.690 5.743 12.967 455 H ASN 61 H ASN 61 0.215 6.627 14.555 456 HA ASN 61 HA ASN 61 -0.210 9.395 13.594 457 HB2 ASN 61 HB2 ASN 61 -0.897 7.943 16.193 458 HB3 ASN 61 HB3 ASN 61 -1.267 9.627 15.846 459 HD21 ASN 61 HD21 ASN 61 -2.946 6.967 16.184 460 HD22 ASN 61 HD22 ASN 61 -4.073 7.162 14.846 461 H THR 62 H THR 62 2.373 7.664 14.767 462 HA THR 62 HA THR 62 3.945 10.024 15.322 463 HB THR 62 HB THR 62 2.964 9.918 17.500 464 HG1 THR 62 HG1 THR 62 5.058 10.445 17.615 465 HG21 THR 62 HG21 THR 62 2.257 7.510 17.569 466 HG22 THR 62 HG22 THR 62 3.066 8.089 19.034 467 HG23 THR 62 HG23 THR 62 3.948 7.070 17.893 468 H ARG 63 H ARG 63 5.717 9.547 14.101 469 HA ARG 63 HA ARG 63 6.720 6.834 13.737 470 HB2 ARG 63 HB2 ARG 63 7.065 8.560 11.991 471 HB3 ARG 63 HB3 ARG 63 8.074 9.494 13.123 472 HG2 ARG 63 HG2 ARG 63 9.595 7.425 13.244 473 HG3 ARG 63 HG3 ARG 63 8.529 6.685 12.037 474 HD2 ARG 63 HD2 ARG 63 10.436 7.523 10.903 475 HD3 ARG 63 HD3 ARG 63 9.042 8.522 10.478 476 HE ARG 63 HE ARG 63 10.050 10.366 11.480 477 HH11 ARG 63 HH11 ARG 63 11.875 7.576 12.599 478 HH12 ARG 63 HH12 ARG 63 13.126 8.577 13.269 479 HH21 ARG 63 HH21 ARG 63 11.664 11.554 12.378 480 HH22 ARG 63 HH22 ARG 63 13.006 10.762 13.145 481 H ASP 64 H ASP 64 7.261 5.848 15.553 482 HA ASP 64 HA ASP 64 9.448 6.980 17.256 483 HB2 ASP 64 HB2 ASP 64 7.180 6.530 18.277 484 HB3 ASP 64 HB3 ASP 64 7.434 4.817 17.945 485 H VAL 65 H VAL 65 9.277 5.055 14.703 486 HA VAL 65 HA VAL 65 10.722 2.679 15.567 487 HB VAL 65 HB VAL 65 9.159 2.575 13.726 488 HG11 VAL 65 HG11 VAL 65 11.045 4.392 12.165 489 HG12 VAL 65 HG12 VAL 65 9.662 3.503 11.506 490 HG13 VAL 65 HG13 VAL 65 9.388 4.764 12.702 491 HG21 VAL 65 HG21 VAL 65 11.890 2.074 12.526 492 HG22 VAL 65 HG22 VAL 65 11.195 1.063 13.830 493 HG23 VAL 65 HG23 VAL 65 10.379 1.191 12.275 494 H ASP 66 H ASP 66 12.806 2.112 15.227 495 HA ASP 66 HA ASP 66 14.759 4.059 14.082 496 HB2 ASP 66 HB2 ASP 66 14.635 4.118 16.628 497 HB3 ASP 66 HB3 ASP 66 15.237 2.461 16.619 498 H CYS 67 H CYS 67 13.408 1.320 13.432 499 HA CYS 67 HA CYS 67 13.818 -0.766 12.663 500 HB2 CYS 67 HB2 CYS 67 16.106 0.637 11.286 501 HB3 CYS 67 HB3 CYS 67 15.280 -0.833 10.746 502 H ASP 68 H ASP 68 14.661 -0.553 15.156 503 HA ASP 68 HA ASP 68 16.788 -2.563 15.520 504 HB2 ASP 68 HB2 ASP 68 17.969 -0.448 15.681 505 HB3 ASP 68 HB3 ASP 68 16.746 0.210 16.768 506 H ASN 69 H ASN 69 14.088 -0.722 16.944 507 HA ASN 69 HA ASN 69 13.826 -2.640 19.173 508 HB2 ASN 69 HB2 ASN 69 12.341 -1.017 20.177 509 HB3 ASN 69 HB3 ASN 69 13.931 -0.349 19.832 510 HD21 ASN 69 HD21 ASN 69 14.087 1.383 18.499 511 HD22 ASN 69 HD22 ASN 69 12.671 2.189 17.814 512 H ILE 70 H ILE 70 12.585 -2.336 16.051 513 HA ILE 70 HA ILE 70 9.826 -2.768 16.385 514 HB ILE 70 HB ILE 70 9.785 -3.472 14.085 515 HG12 ILE 70 HG12 ILE 70 12.799 -3.785 14.356 516 HG13 ILE 70 HG13 ILE 70 11.598 -4.977 13.831 517 HG21 ILE 70 HG21 ILE 70 10.589 -1.409 13.152 518 HG22 ILE 70 HG22 ILE 70 10.046 -1.079 14.796 519 HG23 ILE 70 HG23 ILE 70 11.787 -1.208 14.452 520 HD11 ILE 70 HD11 ILE 70 12.806 -4.230 11.904 521 HD12 ILE 70 HD12 ILE 70 11.168 -3.536 11.803 522 HD13 ILE 70 HD13 ILE 70 12.542 -2.529 12.331 523 H MET 71 H MET 71 12.313 -4.882 17.083 524 HA MET 71 HA MET 71 11.159 -7.495 16.881 525 HB2 MET 71 HB2 MET 71 13.526 -6.861 17.502 526 HB3 MET 71 HB3 MET 71 12.943 -6.414 19.104 527 HG2 MET 71 HG2 MET 71 12.221 -8.721 19.510 528 HG3 MET 71 HG3 MET 71 12.637 -9.174 17.851 529 HE1 MET 71 HE1 MET 71 13.570 -10.703 20.529 530 HE2 MET 71 HE2 MET 71 13.957 -11.253 18.882 531 HE3 MET 71 HE3 MET 71 15.247 -11.095 20.094 532 H SER 72 H SER 72 10.431 -4.856 19.090 533 HA SER 72 HA SER 72 8.648 -6.560 20.770 534 HB2 SER 72 HB2 SER 72 10.474 -5.063 21.733 535 HB3 SER 72 HB3 SER 72 9.475 -3.684 21.256 536 HG SER 72 HG SER 72 7.771 -4.661 22.537 537 H THR 73 H THR 73 8.230 -4.936 17.979 538 HA THR 73 HA THR 73 5.571 -3.711 18.661 539 HB THR 73 HB THR 73 5.687 -2.428 16.663 540 HG1 THR 73 HG1 THR 73 7.981 -3.981 16.086 541 HG21 THR 73 HG21 THR 73 8.415 -2.248 18.011 542 HG22 THR 73 HG22 THR 73 6.929 -1.415 18.504 543 HG23 THR 73 HG23 THR 73 7.680 -1.038 16.941 544 H ASN 74 H ASN 74 4.175 -3.790 16.420 545 HA ASN 74 HA ASN 74 3.458 -6.526 15.864 546 HB2 ASN 74 HB2 ASN 74 2.867 -4.037 14.197 547 HB3 ASN 74 HB3 ASN 74 2.003 -5.566 14.154 548 HD21 ASN 74 HD21 ASN 74 1.992 -2.448 15.500 549 HD22 ASN 74 HD22 ASN 74 0.815 -2.796 16.760 550 H LEU 75 H LEU 75 5.985 -4.534 14.571 551 HA LEU 75 HA LEU 75 6.030 -5.805 11.933 552 HB2 LEU 75 HB2 LEU 75 7.707 -3.556 13.110 553 HB3 LEU 75 HB3 LEU 75 7.628 -4.036 11.435 554 HG LEU 75 HG LEU 75 6.374 -2.185 11.397 555 HD11 LEU 75 HD11 LEU 75 4.200 -4.230 11.927 556 HD12 LEU 75 HD12 LEU 75 5.064 -3.998 10.390 557 HD13 LEU 75 HD13 LEU 75 4.046 -2.707 11.050 558 HD21 LEU 75 HD21 LEU 75 4.758 -1.382 12.985 559 HD22 LEU 75 HD22 LEU 75 6.290 -1.723 13.802 560 HD23 LEU 75 HD23 LEU 75 4.922 -2.840 13.973 561 H PHE 76 H PHE 76 7.088 -7.124 14.541 562 HA PHE 76 HA PHE 76 9.884 -7.538 14.405 563 HB2 PHE 76 HB2 PHE 76 9.545 -9.091 16.122 564 HB3 PHE 76 HB3 PHE 76 8.347 -7.839 16.386 565 HD1 PHE 76 HD1 PHE 76 5.897 -8.329 15.624 566 HD2 PHE 76 HD2 PHE 76 8.933 -11.372 15.892 567 HE1 PHE 76 HE1 PHE 76 4.137 -10.068 15.683 568 HE2 PHE 76 HE2 PHE 76 7.167 -13.120 15.955 569 HZ PHE 76 HZ PHE 76 4.766 -12.470 15.853 570 H HIS 77 H HIS 77 7.624 -8.668 12.263 571 HA HIS 77 HA HIS 77 8.196 -11.382 11.838 572 HB2 HIS 77 HB2 HIS 77 6.226 -10.002 11.055 573 HB3 HIS 77 HB3 HIS 77 7.244 -9.356 9.771 574 HD1 HIS 77 HD1 HIS 77 5.853 -12.781 10.982 575 HD2 HIS 77 HD2 HIS 77 7.372 -10.792 7.575 576 HE1 HIS 77 HE1 HIS 77 5.565 -14.401 9.006 577 HE2 HIS 77 HE2 HIS 77 6.472 -13.184 6.922 578 H CYS 78 H CYS 78 10.430 -9.014 11.384 579 HA CYS 78 HA CYS 78 12.360 -8.683 10.202 580 HB2 CYS 78 HB2 CYS 78 12.685 -10.890 11.422 581 HB3 CYS 78 HB3 CYS 78 12.453 -11.686 9.867 582 H LYS 79 H LYS 79 10.063 -8.399 8.658 583 HA LYS 79 HA LYS 79 10.309 -9.472 5.989 584 HB2 LYS 79 HB2 LYS 79 8.716 -7.576 5.398 585 HB3 LYS 79 HB3 LYS 79 8.184 -8.772 6.556 586 HG2 LYS 79 HG2 LYS 79 7.423 -6.669 7.309 587 HG3 LYS 79 HG3 LYS 79 8.645 -7.225 8.432 588 HD2 LYS 79 HD2 LYS 79 9.784 -5.542 6.288 589 HD3 LYS 79 HD3 LYS 79 8.465 -4.741 7.100 590 HE2 LYS 79 HE2 LYS 79 10.887 -5.929 8.541 591 HE3 LYS 79 HE3 LYS 79 10.766 -4.256 8.010 592 HZ1 LYS 79 HZ1 LYS 79 8.712 -4.084 9.417 593 HZ2 LYS 79 HZ2 LYS 79 10.094 -4.337 10.270 594 HZ3 LYS 79 HZ3 LYS 79 9.052 -5.563 10.060 595 H ASP 80 H ASP 80 10.766 -8.274 4.053 596 HA ASP 80 HA ASP 80 13.445 -7.359 4.065 597 HB2 ASP 80 HB2 ASP 80 11.333 -7.119 1.882 598 HB3 ASP 80 HB3 ASP 80 13.069 -6.926 1.649 599 H LYS 81 H LYS 81 10.452 -5.455 3.868 600 HA LYS 81 HA LYS 81 11.810 -3.085 4.819 601 HB2 LYS 81 HB2 LYS 81 11.078 -1.614 2.890 602 HB3 LYS 81 HB3 LYS 81 12.403 -2.705 2.515 603 HG2 LYS 81 HG2 LYS 81 11.015 -4.193 1.299 604 HG3 LYS 81 HG3 LYS 81 9.526 -3.389 1.835 605 HD2 LYS 81 HD2 LYS 81 11.647 -2.082 0.083 606 HD3 LYS 81 HD3 LYS 81 10.209 -2.905 -0.533 607 HE2 LYS 81 HE2 LYS 81 8.760 -1.338 0.777 608 HE3 LYS 81 HE3 LYS 81 10.206 -0.467 1.306 609 HZ1 LYS 81 HZ1 LYS 81 9.324 -0.752 -1.517 610 HZ2 LYS 81 HZ2 LYS 81 10.669 0.042 -1.032 611 HZ3 LYS 81 HZ3 LYS 81 9.193 0.599 -0.607 612 H ASN 82 H ASN 82 10.361 -1.334 5.325 613 HA ASN 82 HA ASN 82 7.492 -1.806 4.885 614 HB2 ASN 82 HB2 ASN 82 8.332 -2.586 7.320 615 HB3 ASN 82 HB3 ASN 82 8.244 -0.868 7.659 616 HD21 ASN 82 HD21 ASN 82 6.564 -1.486 9.222 617 HD22 ASN 82 HD22 ASN 82 4.949 -1.891 8.642 618 H THR 83 H THR 83 6.577 -0.002 4.131 619 HA THR 83 HA THR 83 8.007 2.595 4.319 620 HB THR 83 HB THR 83 5.533 1.832 2.723 621 HG1 THR 83 HG1 THR 83 8.253 2.074 1.942 622 HG21 THR 83 HG21 THR 83 6.026 3.897 1.489 623 HG22 THR 83 HG22 THR 83 7.389 4.244 2.586 624 HG23 THR 83 HG23 THR 83 5.725 4.246 3.189 625 H PHE 84 H PHE 84 7.641 3.320 6.394 626 HA PHE 84 HA PHE 84 4.978 3.293 7.601 627 HB2 PHE 84 HB2 PHE 84 7.492 4.596 8.587 628 HB3 PHE 84 HB3 PHE 84 5.964 4.541 9.441 629 HD1 PHE 84 HD2 PHE 84 4.953 2.111 9.825 630 HD2 PHE 84 HD1 PHE 84 9.108 3.035 9.122 631 HE1 PHE 84 HE2 PHE 84 5.607 0.039 11.012 632 HE2 PHE 84 HE1 PHE 84 9.758 0.855 10.147 633 HZ PHE 84 HZ PHE 84 8.017 -0.605 11.182 634 H ILE 85 H ILE 85 3.500 4.757 7.283 635 HA ILE 85 HA ILE 85 4.153 7.486 6.220 636 HB ILE 85 HB ILE 85 1.581 5.885 6.344 637 HG12 ILE 85 HG12 ILE 85 3.168 6.744 3.876 638 HG13 ILE 85 HG13 ILE 85 3.308 5.148 4.615 639 HG21 ILE 85 HG21 ILE 85 0.493 7.659 5.111 640 HG22 ILE 85 HG22 ILE 85 1.179 8.341 6.571 641 HG23 ILE 85 HG23 ILE 85 2.011 8.595 5.022 642 HD11 ILE 85 HD11 ILE 85 1.769 4.938 2.811 643 HD12 ILE 85 HD12 ILE 85 0.848 4.823 4.335 644 HD13 ILE 85 HD13 ILE 85 0.801 6.312 3.369 645 H TYR 86 H TYR 86 4.405 8.978 7.835 646 HA TYR 86 HA TYR 86 2.774 8.737 10.305 647 HB2 TYR 86 HB2 TYR 86 5.061 9.135 10.699 648 HB3 TYR 86 HB3 TYR 86 5.101 10.456 9.556 649 HD1 TYR 86 HD1 TYR 86 2.222 10.236 11.926 650 HD2 TYR 86 HD2 TYR 86 6.171 11.868 11.258 651 HE1 TYR 86 HE1 TYR 86 1.829 11.925 13.672 652 HE2 TYR 86 HE2 TYR 86 5.778 13.530 13.061 653 HH TYR 86 HH TYR 86 4.286 14.365 14.593 654 H SER 87 H SER 87 0.767 8.988 9.357 655 HA SER 87 HA SER 87 -0.069 11.794 9.199 656 HB2 SER 87 HB2 SER 87 -1.383 11.561 7.192 657 HB3 SER 87 HB3 SER 87 0.280 11.089 6.808 658 HG SER 87 HG SER 87 -1.301 9.625 5.985 659 H ARG 88 H ARG 88 -2.489 11.942 9.240 660 HA ARG 88 HA ARG 88 -3.690 10.088 11.222 661 HB2 ARG 88 HB2 ARG 88 -4.610 12.687 9.894 662 HB3 ARG 88 HB3 ARG 88 -5.630 11.793 11.007 663 HG2 ARG 88 HG2 ARG 88 -2.866 12.850 11.740 664 HG3 ARG 88 HG3 ARG 88 -4.356 13.741 12.017 665 HD2 ARG 88 HD2 ARG 88 -3.976 10.946 13.142 666 HD3 ARG 88 HD3 ARG 88 -3.329 12.349 13.959 667 HE ARG 88 HE ARG 88 -6.209 11.688 13.548 668 HH11 ARG 88 HH11 ARG 88 -3.933 13.888 15.029 669 HH12 ARG 88 HH12 ARG 88 -5.142 14.576 16.080 670 HH21 ARG 88 HH21 ARG 88 -7.708 12.622 14.876 671 HH22 ARG 88 HH22 ARG 88 -7.222 13.869 15.983 672 HA PRO 89 HA PRO 89 -5.863 7.698 8.267 673 HB2 PRO 89 HB2 PRO 89 -8.327 7.190 9.399 674 HB3 PRO 89 HB3 PRO 89 -6.786 6.471 9.959 675 HG2 PRO 89 HG2 PRO 89 -8.218 8.908 11.063 676 HG3 PRO 89 HG3 PRO 89 -7.565 7.503 11.968 677 HD2 PRO 89 HD2 PRO 89 -6.153 9.793 11.758 678 HD3 PRO 89 HD3 PRO 89 -5.327 8.215 11.631 679 H GLU 90 H GLU 90 -7.294 10.788 9.079 680 HA GLU 90 HA GLU 90 -9.547 10.701 7.284 681 HB2 GLU 90 HB2 GLU 90 -8.085 12.999 8.621 682 HB3 GLU 90 HB3 GLU 90 -9.465 13.224 7.536 683 HG2 GLU 90 HG2 GLU 90 -10.854 11.794 9.000 684 HG3 GLU 90 HG3 GLU 90 -9.476 11.535 10.073 685 HA PRO 91 HA PRO 91 -6.896 12.902 3.966 686 HB2 PRO 91 HB2 PRO 91 -4.149 13.012 4.211 687 HB3 PRO 91 HB3 PRO 91 -5.252 14.281 4.808 688 HG2 PRO 91 HG2 PRO 91 -3.989 11.997 6.342 689 HG3 PRO 91 HG3 PRO 91 -4.087 13.726 6.814 690 HD2 PRO 91 HD2 PRO 91 -5.824 11.904 7.777 691 HD3 PRO 91 HD3 PRO 91 -6.380 13.531 7.373 692 H VAL 92 H VAL 92 -6.412 9.926 5.299 693 HA VAL 92 HA VAL 92 -5.152 8.712 2.854 694 HB VAL 92 HB VAL 92 -5.751 7.379 5.521 695 HG11 VAL 92 HG11 VAL 92 -4.012 6.565 3.148 696 HG12 VAL 92 HG12 VAL 92 -4.096 5.705 4.698 697 HG13 VAL 92 HG13 VAL 92 -5.527 5.798 3.666 698 HG21 VAL 92 HG21 VAL 92 -3.029 8.352 4.589 699 HG22 VAL 92 HG22 VAL 92 -4.004 9.197 5.799 700 HG23 VAL 92 HG23 VAL 92 -3.428 7.565 6.121 701 H LYS 93 H LYS 93 -7.930 8.165 5.067 702 HA LYS 93 HA LYS 93 -9.249 6.403 3.219 703 HB2 LYS 93 HB2 LYS 93 -9.604 6.910 5.866 704 HB3 LYS 93 HB3 LYS 93 -10.938 7.863 5.207 705 HG2 LYS 93 HG2 LYS 93 -11.304 5.610 3.760 706 HG3 LYS 93 HG3 LYS 93 -10.452 4.880 5.125 707 HD2 LYS 93 HD2 LYS 93 -13.060 6.481 5.269 708 HD3 LYS 93 HD3 LYS 93 -12.896 4.728 5.244 709 HE2 LYS 93 HE2 LYS 93 -13.188 5.048 7.460 710 HE3 LYS 93 HE3 LYS 93 -11.431 4.960 7.327 711 HZ1 LYS 93 HZ1 LYS 93 -12.155 6.780 8.760 712 HZ2 LYS 93 HZ2 LYS 93 -12.995 7.475 7.548 713 HZ3 LYS 93 HZ3 LYS 93 -11.358 7.391 7.474 714 H ALA 94 H ALA 94 -9.676 9.871 3.822 715 HA ALA 94 HA ALA 94 -12.035 10.114 2.165 716 HB1 ALA 94 HB1 ALA 94 -11.532 11.518 4.164 717 HB2 ALA 94 HB2 ALA 94 -10.205 12.282 3.244 718 HB3 ALA 94 HB3 ALA 94 -11.885 12.462 2.703 719 H ILE 95 H ILE 95 -8.818 9.800 1.207 720 HA ILE 95 HA ILE 95 -8.613 11.468 -1.063 721 HB ILE 95 HB ILE 95 -7.699 8.575 -0.842 722 HG12 ILE 95 HG12 ILE 95 -6.102 11.111 -0.237 723 HG13 ILE 95 HG13 ILE 95 -6.840 10.100 0.994 724 HG21 ILE 95 HG21 ILE 95 -6.579 10.825 -2.590 725 HG22 ILE 95 HG22 ILE 95 -6.074 9.119 -2.570 726 HG23 ILE 95 HG23 ILE 95 -7.649 9.553 -3.191 727 HD11 ILE 95 HD11 ILE 95 -4.622 9.228 -0.895 728 HD12 ILE 95 HD12 ILE 95 -4.521 9.523 0.841 729 HD13 ILE 95 HD13 ILE 95 -5.471 8.155 0.246 730 H CYS 96 H CYS 96 -10.531 8.515 -0.564 731 HA CYS 96 HA CYS 96 -11.772 8.869 -3.260 732 HB2 CYS 96 HB2 CYS 96 -12.401 6.547 -3.130 733 HB3 CYS 96 HB3 CYS 96 -10.654 6.752 -3.015 734 H LYS 97 H LYS 97 -13.997 8.500 -3.455 735 HA LYS 97 HA LYS 97 -15.790 8.532 -1.133 736 HB2 LYS 97 HB2 LYS 97 -15.050 10.941 -1.573 737 HB3 LYS 97 HB3 LYS 97 -15.942 10.878 -3.083 738 HG2 LYS 97 HG2 LYS 97 -17.131 10.375 -0.307 739 HG3 LYS 97 HG3 LYS 97 -17.104 11.940 -1.119 740 HD2 LYS 97 HD2 LYS 97 -18.478 10.950 -2.990 741 HD3 LYS 97 HD3 LYS 97 -18.644 9.470 -2.013 742 HE2 LYS 97 HE2 LYS 97 -19.622 10.804 -0.161 743 HE3 LYS 97 HE3 LYS 97 -19.492 12.266 -1.149 744 HZ1 LYS 97 HZ1 LYS 97 -21.716 11.311 -1.286 745 HZ2 LYS 97 HZ2 LYS 97 -21.143 9.886 -1.830 746 HZ3 LYS 97 HZ3 LYS 97 -21.014 11.230 -2.755 747 H GLY 98 H GLY 98 -17.019 6.881 -1.702 748 HA2 GLY 98 HA2 GLY 98 -18.772 5.779 -2.803 749 HA3 GLY 98 HA3 GLY 98 -18.716 6.973 -4.090 750 H ILE 99 H ILE 99 -15.612 5.705 -3.633 751 HA ILE 99 HA ILE 99 -15.700 4.321 -6.185 752 HB ILE 99 HB ILE 99 -13.409 4.699 -4.224 753 HG12 ILE 99 HG12 ILE 99 -14.244 6.131 -6.795 754 HG13 ILE 99 HG13 ILE 99 -14.246 6.798 -5.166 755 HG21 ILE 99 HG21 ILE 99 -12.982 2.698 -5.582 756 HG22 ILE 99 HG22 ILE 99 -13.463 3.566 -7.070 757 HG23 ILE 99 HG23 ILE 99 -11.994 4.005 -6.186 758 HD11 ILE 99 HD11 ILE 99 -11.691 6.444 -5.164 759 HD12 ILE 99 HD12 ILE 99 -11.855 6.196 -6.913 760 HD13 ILE 99 HD13 ILE 99 -12.359 7.730 -6.182 761 H ILE 100 H ILE 100 -16.489 2.430 -6.396 762 HA ILE 100 HA ILE 100 -15.869 0.193 -4.500 763 HB ILE 100 HB ILE 100 -18.005 0.098 -6.644 764 HG12 ILE 100 HG12 ILE 100 -18.281 1.180 -3.810 765 HG13 ILE 100 HG13 ILE 100 -18.598 2.049 -5.313 766 HG21 ILE 100 HG21 ILE 100 -17.823 -1.299 -3.949 767 HG22 ILE 100 HG22 ILE 100 -18.939 -1.673 -5.274 768 HG23 ILE 100 HG23 ILE 100 -17.237 -2.036 -5.457 769 HD11 ILE 100 HD11 ILE 100 -20.284 -0.175 -4.142 770 HD12 ILE 100 HD12 ILE 100 -20.695 1.532 -4.348 771 HD13 ILE 100 HD13 ILE 100 -20.505 0.500 -5.780 772 H ALA 101 H ALA 101 -15.003 1.513 -7.449 773 HA ALA 101 HA ALA 101 -14.658 -0.746 -9.150 774 HB1 ALA 101 HB1 ALA 101 -13.469 2.061 -9.294 775 HB2 ALA 101 HB2 ALA 101 -13.642 0.919 -10.642 776 HB3 ALA 101 HB3 ALA 101 -15.086 1.589 -9.873 777 H SER 102 H SER 102 -12.859 -0.425 -6.469 778 HA SER 102 HA SER 102 -10.725 -0.769 -5.760 779 HB2 SER 102 HB2 SER 102 -11.364 -2.994 -6.546 780 HB3 SER 102 HB3 SER 102 -10.569 -2.681 -8.095 781 HG SER 102 HG SER 102 -8.612 -2.546 -7.059 782 H LYS 103 H LYS 103 -10.403 1.539 -6.468 783 HA LYS 103 HA LYS 103 -7.828 1.836 -7.827 784 HB2 LYS 103 HB2 LYS 103 -9.474 1.879 -9.690 785 HB3 LYS 103 HB3 LYS 103 -10.250 3.295 -8.977 786 HG2 LYS 103 HG2 LYS 103 -8.274 4.644 -9.340 787 HG3 LYS 103 HG3 LYS 103 -7.293 3.215 -9.731 788 HD2 LYS 103 HD2 LYS 103 -8.623 2.849 -11.779 789 HD3 LYS 103 HD3 LYS 103 -9.625 4.269 -11.391 790 HE2 LYS 103 HE2 LYS 103 -7.626 5.723 -11.486 791 HE3 LYS 103 HE3 LYS 103 -6.596 4.321 -11.798 792 HZ1 LYS 103 HZ1 LYS 103 -7.787 3.983 -13.893 793 HZ2 LYS 103 HZ2 LYS 103 -7.159 5.486 -13.854 794 HZ3 LYS 103 HZ3 LYS 103 -8.757 5.268 -13.607 795 H ASN 104 H ASN 104 -6.818 3.946 -7.309 796 HA ASN 104 HA ASN 104 -8.525 5.928 -6.007 797 HB2 ASN 104 HB2 ASN 104 -7.007 4.327 -4.401 798 HB3 ASN 104 HB3 ASN 104 -5.824 5.572 -4.736 799 HD21 ASN 104 HD21 ASN 104 -6.696 5.170 -2.157 800 HD22 ASN 104 HD22 ASN 104 -7.673 6.536 -1.664 801 H VAL 105 H VAL 105 -6.707 7.849 -5.423 802 HA VAL 105 HA VAL 105 -4.995 8.306 -7.819 803 HB VAL 105 HB VAL 105 -6.563 10.491 -6.382 804 HG11 VAL 105 HG11 VAL 105 -4.492 11.282 -7.479 805 HG12 VAL 105 HG12 VAL 105 -4.984 10.499 -8.998 806 HG13 VAL 105 HG13 VAL 105 -5.912 11.863 -8.340 807 HG21 VAL 105 HG21 VAL 105 -8.203 9.144 -7.605 808 HG22 VAL 105 HG22 VAL 105 -7.936 10.664 -8.455 809 HG23 VAL 105 HG23 VAL 105 -7.182 9.171 -9.061 810 H LEU 106 H LEU 106 -2.981 9.027 -7.326 811 HA LEU 106 HA LEU 106 -1.765 8.902 -4.806 812 HB2 LEU 106 HB2 LEU 106 -0.568 8.953 -6.981 813 HB3 LEU 106 HB3 LEU 106 -1.184 10.582 -7.284 814 HG LEU 106 HG LEU 106 0.223 11.356 -5.293 815 HD11 LEU 106 HD11 LEU 106 1.594 8.697 -5.656 816 HD12 LEU 106 HD12 LEU 106 0.437 9.019 -4.364 817 HD13 LEU 106 HD13 LEU 106 1.941 9.952 -4.445 818 HD21 LEU 106 HD21 LEU 106 0.901 11.775 -7.567 819 HD22 LEU 106 HD22 LEU 106 1.510 10.120 -7.739 820 HD23 LEU 106 HD23 LEU 106 2.316 11.263 -6.636 821 H THR 107 H THR 107 -1.352 10.361 -3.143 822 HA THR 107 HA THR 107 -3.143 12.570 -2.706 823 HB THR 107 HB THR 107 -0.910 12.991 -1.034 824 HG1 THR 107 HG1 THR 107 -1.551 10.261 -0.954 825 HG21 THR 107 HG21 THR 107 -2.425 11.968 0.705 826 HG22 THR 107 HG22 THR 107 -3.510 11.452 -0.593 827 HG23 THR 107 HG23 THR 107 -3.240 13.182 -0.301 828 H THR 108 H THR 108 -2.294 14.730 -1.988 829 HA THR 108 HA THR 108 -0.433 15.904 -4.041 830 HB THR 108 HB THR 108 -2.794 16.401 -4.482 831 HG1 THR 108 HG1 THR 108 -1.286 17.890 -5.141 832 HG21 THR 108 HG21 THR 108 -4.043 17.981 -3.107 833 HG22 THR 108 HG22 THR 108 -2.759 18.000 -1.885 834 HG23 THR 108 HG23 THR 108 -3.701 16.517 -2.176 835 H SER 109 H SER 109 -1.260 15.819 -0.659 836 HA SER 109 HA SER 109 0.482 18.042 0.147 837 HB2 SER 109 HB2 SER 109 -0.916 15.899 1.795 838 HB3 SER 109 HB3 SER 109 -0.157 17.365 2.428 839 HG SER 109 HG SER 109 -1.694 18.598 1.268 840 H GLU 110 H GLU 110 2.130 17.589 1.915 841 HA GLU 110 HA GLU 110 3.774 15.197 1.235 842 HB2 GLU 110 HB2 GLU 110 4.806 17.864 2.221 843 HB3 GLU 110 HB3 GLU 110 5.730 16.472 1.633 844 HG2 GLU 110 HG2 GLU 110 4.502 16.750 -0.589 845 HG3 GLU 110 HG3 GLU 110 3.919 18.299 0.011 846 H PHE 111 H PHE 111 3.718 13.690 2.731 847 HA PHE 111 HA PHE 111 3.342 14.373 5.608 848 HB2 PHE 111 HB2 PHE 111 2.964 11.668 4.300 849 HB3 PHE 111 HB3 PHE 111 2.362 12.216 5.853 850 HD1 PHE 111 HD1 PHE 111 1.945 12.389 2.187 851 HD2 PHE 111 HD2 PHE 111 0.201 13.430 5.985 852 HE1 PHE 111 HE1 PHE 111 -0.163 12.954 1.051 853 HE2 PHE 111 HE2 PHE 111 -1.933 13.978 4.843 854 HZ PHE 111 HZ PHE 111 -2.118 13.725 2.353 855 H TYR 112 H TYR 112 4.568 12.964 7.158 856 HA TYR 112 HA TYR 112 7.363 12.747 6.344 857 HB2 TYR 112 HB2 TYR 112 5.820 12.360 8.882 858 HB3 TYR 112 HB3 TYR 112 7.415 11.622 8.747 859 HD1 TYR 112 HD1 TYR 112 9.277 13.286 7.684 860 HD2 TYR 112 HD2 TYR 112 5.759 14.462 9.888 861 HE1 TYR 112 HE1 TYR 112 10.391 15.426 8.319 862 HE2 TYR 112 HE2 TYR 112 6.877 16.602 10.525 863 HH TYR 112 HH TYR 112 8.771 17.876 10.373 864 H LEU 113 H LEU 113 8.046 11.218 5.117 865 HA LEU 113 HA LEU 113 6.889 8.483 5.224 866 HB2 LEU 113 HB2 LEU 113 7.849 10.228 3.075 867 HB3 LEU 113 HB3 LEU 113 8.640 8.666 3.029 868 HG LEU 113 HG LEU 113 6.642 8.731 1.654 869 HD11 LEU 113 HD11 LEU 113 6.211 6.824 3.962 870 HD12 LEU 113 HD12 LEU 113 7.383 6.608 2.640 871 HD13 LEU 113 HD13 LEU 113 5.646 6.663 2.291 872 HD21 LEU 113 HD21 LEU 113 4.967 8.978 4.174 873 HD22 LEU 113 HD22 LEU 113 4.404 8.867 2.495 874 HD23 LEU 113 HD23 LEU 113 5.287 10.304 3.042 875 H SER 114 H SER 114 7.906 6.886 6.067 876 HA SER 114 HA SER 114 10.840 7.021 6.647 877 HB2 SER 114 HB2 SER 114 9.612 7.688 8.600 878 HB3 SER 114 HB3 SER 114 8.546 6.309 8.483 879 HG SER 114 HG SER 114 10.051 5.696 9.948 880 H ASP 115 H ASP 115 11.431 5.658 5.006 881 HA ASP 115 HA ASP 115 10.364 2.882 4.948 882 HB2 ASP 115 HB2 ASP 115 12.380 4.401 3.280 883 HB3 ASP 115 HB3 ASP 115 12.162 2.659 3.144 884 H CYS 116 H CYS 116 11.836 1.075 5.119 885 HA CYS 116 HA CYS 116 14.603 1.549 5.846 886 HB2 CYS 116 HB2 CYS 116 12.659 0.418 7.795 887 HB3 CYS 116 HB3 CYS 116 14.076 -0.582 7.531 888 H ASN 117 H ASN 117 15.873 -0.067 4.910 889 HA ASN 117 HA ASN 117 14.432 -2.217 3.384 890 HB2 ASN 117 HB2 ASN 117 16.527 -0.238 2.377 891 HB3 ASN 117 HB3 ASN 117 16.078 -1.713 1.530 892 HD21 ASN 117 HD21 ASN 117 15.032 1.572 2.315 893 HD22 ASN 117 HD22 ASN 117 13.616 1.475 1.270 894 H VAL 118 H VAL 118 15.262 -4.179 3.638 895 HA VAL 118 HA VAL 118 17.203 -4.706 5.569 896 HB VAL 118 HB VAL 118 15.475 -6.266 4.908 897 HG11 VAL 118 HG11 VAL 118 17.127 -6.868 2.422 898 HG12 VAL 118 HG12 VAL 118 15.650 -7.699 2.946 899 HG13 VAL 118 HG13 VAL 118 15.575 -6.005 2.445 900 HG21 VAL 118 HG21 VAL 118 17.424 -7.129 6.146 901 HG22 VAL 118 HG22 VAL 118 16.646 -8.338 5.120 902 HG23 VAL 118 HG23 VAL 118 18.172 -7.609 4.599 903 H THR 119 H THR 119 19.308 -5.413 5.616 904 HA THR 119 HA THR 119 20.881 -5.469 3.086 905 HB THR 119 HB THR 119 21.154 -3.251 3.749 906 HG1 THR 119 HG1 THR 119 23.415 -3.233 3.899 907 HG21 THR 119 HG21 THR 119 22.211 -2.457 5.752 908 HG22 THR 119 HG22 THR 119 22.378 -4.102 6.386 909 HG23 THR 119 HG23 THR 119 20.764 -3.373 6.186 910 H SER 120 H SER 120 20.611 -7.599 3.335 911 HA SER 120 HA SER 120 22.503 -9.032 5.182 912 HB2 SER 120 HB2 SER 120 19.887 -10.026 3.991 913 HB3 SER 120 HB3 SER 120 21.057 -11.031 4.862 914 HG SER 120 HG SER 120 19.837 -8.674 5.918 Start of MODEL 16 1 H1 ARG 1 H1 ARG 1 17.964 -5.304 18.422 2 H2 ARG 1 H2 ARG 1 16.744 -6.055 17.666 3 H3 ARG 1 H3 ARG 1 17.980 -6.940 18.305 4 HA ARG 1 HA ARG 1 18.078 -5.112 15.985 5 HB2 ARG 1 HB2 ARG 1 20.503 -5.691 15.811 6 HB3 ARG 1 HB3 ARG 1 20.073 -4.621 17.131 7 HG2 ARG 1 HG2 ARG 1 20.566 -6.173 18.798 8 HG3 ARG 1 HG3 ARG 1 20.307 -7.567 17.753 9 HD2 ARG 1 HD2 ARG 1 22.652 -7.372 18.228 10 HD3 ARG 1 HD3 ARG 1 22.355 -7.081 16.508 11 HE ARG 1 HE ARG 1 22.445 -4.620 18.083 12 HH11 ARG 1 HH11 ARG 1 24.520 -6.933 16.499 13 HH12 ARG 1 HH12 ARG 1 25.830 -5.795 16.331 14 HH21 ARG 1 HH21 ARG 1 24.131 -3.206 17.842 15 HH22 ARG 1 HH22 ARG 1 25.605 -3.739 17.089 16 HA PRO 2 HA PRO 2 17.077 -9.469 14.829 17 HB2 PRO 2 HB2 PRO 2 14.943 -9.150 13.188 18 HB3 PRO 2 HB3 PRO 2 14.839 -9.044 14.955 19 HG2 PRO 2 HG2 PRO 2 15.108 -6.730 12.997 20 HG3 PRO 2 HG3 PRO 2 13.888 -6.935 14.286 21 HD2 PRO 2 HD2 PRO 2 16.112 -5.463 14.725 22 HD3 PRO 2 HD3 PRO 2 15.464 -6.550 15.988 23 H CYS 3 H CYS 3 17.013 -6.862 12.412 24 HA CYS 3 HA CYS 3 19.108 -8.205 10.794 25 HB2 CYS 3 HB2 CYS 3 16.627 -6.862 9.616 26 HB3 CYS 3 HB3 CYS 3 18.055 -7.296 8.721 27 H LYS 4 H LYS 4 19.997 -6.385 9.164 28 HA LYS 4 HA LYS 4 20.338 -3.810 10.646 29 HB2 LYS 4 HB2 LYS 4 22.142 -5.323 8.715 30 HB3 LYS 4 HB3 LYS 4 22.424 -3.653 9.198 31 HG2 LYS 4 HG2 LYS 4 22.194 -5.835 11.296 32 HG3 LYS 4 HG3 LYS 4 23.691 -5.608 10.404 33 HD2 LYS 4 HD2 LYS 4 22.344 -3.362 11.965 34 HD3 LYS 4 HD3 LYS 4 23.575 -4.443 12.636 35 HE2 LYS 4 HE2 LYS 4 25.155 -3.770 10.825 36 HE3 LYS 4 HE3 LYS 4 23.955 -2.629 10.210 37 HZ1 LYS 4 HZ1 LYS 4 24.072 -1.462 12.353 38 HZ2 LYS 4 HZ2 LYS 4 25.550 -1.532 11.666 39 HZ3 LYS 4 HZ3 LYS 4 25.190 -2.517 12.912 40 H TYR 5 H TYR 5 20.059 -1.946 9.463 41 HA TYR 5 HA TYR 5 19.020 -2.101 6.695 42 HB2 TYR 5 HB2 TYR 5 17.557 -0.629 8.913 43 HB3 TYR 5 HB3 TYR 5 17.075 -0.731 7.235 44 HD1 TYR 5 HD1 TYR 5 17.419 -2.646 10.399 45 HD2 TYR 5 HD2 TYR 5 15.738 -2.638 6.416 46 HE1 TYR 5 HE1 TYR 5 15.925 -4.520 11.029 47 HE2 TYR 5 HE2 TYR 5 14.177 -4.449 7.099 48 HH TYR 5 HH TYR 5 14.244 -5.921 10.343 49 H LYS 6 H LYS 6 19.001 -0.043 5.622 50 HA LYS 6 HA LYS 6 20.956 1.942 6.715 51 HB2 LYS 6 HB2 LYS 6 21.385 2.638 4.478 52 HB3 LYS 6 HB3 LYS 6 21.509 0.900 4.585 53 HG2 LYS 6 HG2 LYS 6 18.807 1.411 3.789 54 HG3 LYS 6 HG3 LYS 6 19.793 2.583 2.921 55 HD2 LYS 6 HD2 LYS 6 21.301 0.421 2.400 56 HD3 LYS 6 HD3 LYS 6 19.783 -0.434 2.764 57 HE2 LYS 6 HE2 LYS 6 18.638 0.962 1.024 58 HE3 LYS 6 HE3 LYS 6 20.144 1.832 0.737 59 HZ1 LYS 6 HZ1 LYS 6 19.777 -1.085 0.264 60 HZ2 LYS 6 HZ2 LYS 6 21.147 -0.242 -0.029 61 HZ3 LYS 6 HZ3 LYS 6 19.806 0.062 -0.901 62 H LEU 7 H LEU 7 20.684 4.171 6.238 63 HA LEU 7 HA LEU 7 18.137 5.017 7.399 64 HB2 LEU 7 HB2 LEU 7 20.654 5.600 8.059 65 HB3 LEU 7 HB3 LEU 7 20.471 6.867 6.873 66 HG LEU 7 HG LEU 7 20.039 7.790 9.009 67 HD11 LEU 7 HD11 LEU 7 17.791 8.649 8.912 68 HD12 LEU 7 HD12 LEU 7 17.261 7.317 7.871 69 HD13 LEU 7 HD13 LEU 7 18.419 8.529 7.260 70 HD21 LEU 7 HD21 LEU 7 18.424 6.947 10.619 71 HD22 LEU 7 HD22 LEU 7 19.614 5.695 10.234 72 HD23 LEU 7 HD23 LEU 7 17.980 5.608 9.541 73 H LYS 8 H LYS 8 16.523 5.320 6.031 74 HA LYS 8 HA LYS 8 16.818 7.307 3.820 75 HB2 LYS 8 HB2 LYS 8 16.783 5.024 2.886 76 HB3 LYS 8 HB3 LYS 8 15.286 4.681 3.736 77 HG2 LYS 8 HG2 LYS 8 14.744 5.142 1.456 78 HG3 LYS 8 HG3 LYS 8 14.158 6.510 2.404 79 HD2 LYS 8 HD2 LYS 8 16.142 7.841 1.717 80 HD3 LYS 8 HD3 LYS 8 16.748 6.446 0.793 81 HE2 LYS 8 HE2 LYS 8 14.655 6.474 -0.570 82 HE3 LYS 8 HE3 LYS 8 14.083 7.877 0.342 83 HZ1 LYS 8 HZ1 LYS 8 16.536 7.824 -1.340 84 HZ2 LYS 8 HZ2 LYS 8 16.001 9.125 -0.502 85 HZ3 LYS 8 HZ3 LYS 8 15.127 8.539 -1.748 86 H LYS 9 H LYS 9 15.750 9.020 4.401 87 HA LYS 9 HA LYS 9 12.917 8.834 5.355 88 HB2 LYS 9 HB2 LYS 9 14.968 10.838 6.395 89 HB3 LYS 9 HB3 LYS 9 13.271 10.756 6.860 90 HG2 LYS 9 HG2 LYS 9 15.372 8.627 7.419 91 HG3 LYS 9 HG3 LYS 9 14.816 9.823 8.578 92 HD2 LYS 9 HD2 LYS 9 12.651 8.836 8.764 93 HD3 LYS 9 HD3 LYS 9 12.858 7.905 7.284 94 HE2 LYS 9 HE2 LYS 9 15.008 7.036 8.810 95 HE3 LYS 9 HE3 LYS 9 13.759 7.285 10.031 96 HZ1 LYS 9 HZ1 LYS 9 13.456 5.594 7.580 97 HZ2 LYS 9 HZ2 LYS 9 12.296 5.820 8.724 98 HZ3 LYS 9 HZ3 LYS 9 13.678 5.035 9.089 99 H SER 10 H SER 10 11.516 10.267 4.563 100 HA SER 10 HA SER 10 12.352 12.353 2.614 101 HB2 SER 10 HB2 SER 10 10.575 9.954 1.971 102 HB3 SER 10 HB3 SER 10 10.779 11.367 0.921 103 HG SER 10 HG SER 10 13.026 10.865 0.809 104 H THR 11 H THR 11 10.384 13.587 1.800 105 HA THR 11 HA THR 11 8.066 13.463 3.631 106 HB THR 11 HB THR 11 9.315 16.164 3.088 107 HG1 THR 11 HG1 THR 11 10.100 16.063 5.194 108 HG21 THR 11 HG21 THR 11 7.834 16.780 4.967 109 HG22 THR 11 HG22 THR 11 7.371 15.068 5.174 110 HG23 THR 11 HG23 THR 11 6.888 15.952 3.711 111 H ASN 12 H ASN 12 6.458 13.056 2.279 112 HA ASN 12 HA ASN 12 5.697 14.726 0.052 113 HB2 ASN 12 HB2 ASN 12 6.208 12.955 -1.753 114 HB3 ASN 12 HB3 ASN 12 7.540 13.894 -1.128 115 HD21 ASN 12 HD21 ASN 12 5.954 10.823 0.165 116 HD22 ASN 12 HD22 ASN 12 7.515 10.025 0.109 117 H LYS 13 H LYS 13 4.048 13.639 -1.343 118 HA LYS 13 HA LYS 13 1.900 12.262 -0.020 119 HB2 LYS 13 HB2 LYS 13 1.140 11.935 -2.472 120 HB3 LYS 13 HB3 LYS 13 1.237 13.540 -1.801 121 HG2 LYS 13 HG2 LYS 13 3.700 12.677 -3.210 122 HG3 LYS 13 HG3 LYS 13 2.253 12.729 -4.217 123 HD2 LYS 13 HD2 LYS 13 1.814 15.029 -3.691 124 HD3 LYS 13 HD3 LYS 13 3.018 15.054 -2.420 125 HE2 LYS 13 HE2 LYS 13 3.909 16.226 -4.330 126 HE3 LYS 13 HE3 LYS 13 4.844 14.755 -4.069 127 HZ1 LYS 13 HZ1 LYS 13 3.650 13.724 -5.914 128 HZ2 LYS 13 HZ2 LYS 13 4.292 15.128 -6.421 129 HZ3 LYS 13 HZ3 LYS 13 2.695 15.045 -6.108 130 H PHE 14 H PHE 14 0.922 10.319 -1.056 131 HA PHE 14 HA PHE 14 2.773 8.109 -1.691 132 HB2 PHE 14 HB2 PHE 14 1.636 6.659 0.057 133 HB3 PHE 14 HB3 PHE 14 2.757 7.864 0.661 134 HD1 PHE 14 HD1 PHE 14 -0.921 7.191 0.197 135 HD2 PHE 14 HD2 PHE 14 2.093 9.474 2.270 136 HE1 PHE 14 HE1 PHE 14 -2.670 8.191 1.651 137 HE2 PHE 14 HE2 PHE 14 0.334 10.430 3.744 138 HZ PHE 14 HZ PHE 14 -2.038 9.889 3.375 139 H CYS 15 H CYS 15 1.814 6.387 -2.750 140 HA CYS 15 HA CYS 15 -0.960 6.893 -3.770 141 HB2 CYS 15 HB2 CYS 15 0.876 6.970 -5.459 142 HB3 CYS 15 HB3 CYS 15 1.215 5.278 -5.140 143 H VAL 16 H VAL 16 -2.395 5.322 -3.824 144 HA VAL 16 HA VAL 16 -1.966 2.632 -2.626 145 HB VAL 16 HB VAL 16 -3.820 2.969 -0.994 146 HG11 VAL 16 HG11 VAL 16 -2.531 4.032 0.760 147 HG12 VAL 16 HG12 VAL 16 -1.505 2.964 -0.202 148 HG13 VAL 16 HG13 VAL 16 -1.405 4.722 -0.424 149 HG21 VAL 16 HG21 VAL 16 -4.528 5.125 -0.270 150 HG22 VAL 16 HG22 VAL 16 -3.340 5.954 -1.300 151 HG23 VAL 16 HG23 VAL 16 -4.698 5.094 -2.039 152 H THR 17 H THR 17 -4.297 1.488 -2.462 153 HA THR 17 HA THR 17 -5.944 2.301 -4.856 154 HB THR 17 HB THR 17 -5.738 -0.540 -3.946 155 HG1 THR 17 HG1 THR 17 -4.003 0.730 -5.800 156 HG21 THR 17 HG21 THR 17 -7.431 0.065 -5.619 157 HG22 THR 17 HG22 THR 17 -6.221 -1.071 -6.235 158 HG23 THR 17 HG23 THR 17 -6.119 0.635 -6.698 159 H CYS 18 H CYS 18 -8.061 2.817 -4.365 160 HA CYS 18 HA CYS 18 -9.189 1.996 -1.751 161 HB2 CYS 18 HB2 CYS 18 -9.756 4.226 -3.661 162 HB3 CYS 18 HB3 CYS 18 -11.117 3.499 -2.818 163 H GLU 19 H GLU 19 -10.693 0.547 -1.521 164 HA GLU 19 HA GLU 19 -12.331 -0.341 -3.819 165 HB2 GLU 19 HB2 GLU 19 -10.269 -1.822 -3.551 166 HB3 GLU 19 HB3 GLU 19 -10.932 -2.338 -1.996 167 HG2 GLU 19 HG2 GLU 19 -13.027 -3.059 -3.167 168 HG3 GLU 19 HG3 GLU 19 -12.318 -2.576 -4.708 169 H ASN 20 H ASN 20 -14.313 0.021 -3.174 170 HA ASN 20 HA ASN 20 -16.169 0.402 -1.948 171 HB2 ASN 20 HB2 ASN 20 -15.072 -1.784 -0.153 172 HB3 ASN 20 HB3 ASN 20 -16.624 -1.003 0.087 173 HD21 ASN 20 HD21 ASN 20 -14.802 -2.723 -2.545 174 HD22 ASN 20 HD22 ASN 20 -16.270 -3.480 -3.154 175 H GLN 21 H GLN 21 -14.551 2.329 -1.886 176 HA GLN 21 HA GLN 21 -14.277 4.387 -0.998 177 HB2 GLN 21 HB2 GLN 21 -16.240 3.563 1.166 178 HB3 GLN 21 HB3 GLN 21 -15.816 5.192 0.647 179 HG2 GLN 21 HG2 GLN 21 -17.694 5.036 -0.597 180 HG3 GLN 21 HG3 GLN 21 -16.638 4.192 -1.731 181 HE21 GLN 21 HE21 GLN 21 -17.739 2.415 -2.539 182 HE22 GLN 21 HE22 GLN 21 -18.829 1.445 -1.546 183 H ALA 22 H ALA 22 -12.371 2.321 -0.043 184 HA ALA 22 HA ALA 22 -11.168 3.747 2.154 185 HB1 ALA 22 HB1 ALA 22 -12.901 2.346 3.286 186 HB2 ALA 22 HB2 ALA 22 -12.179 0.896 2.554 187 HB3 ALA 22 HB3 ALA 22 -11.259 1.889 3.724 188 HA PRO 23 HA PRO 23 -7.875 1.904 -0.259 189 HB2 PRO 23 HB2 PRO 23 -5.722 3.035 0.891 190 HB3 PRO 23 HB3 PRO 23 -6.961 3.945 -0.059 191 HG2 PRO 23 HG2 PRO 23 -6.831 3.661 2.956 192 HG3 PRO 23 HG3 PRO 23 -6.950 5.161 1.991 193 HD2 PRO 23 HD2 PRO 23 -9.148 3.879 3.040 194 HD3 PRO 23 HD3 PRO 23 -9.196 4.755 1.481 195 H VAL 24 H VAL 24 -7.768 -0.227 -0.074 196 HA VAL 24 HA VAL 24 -6.871 -1.497 2.463 197 HB VAL 24 HB VAL 24 -7.906 -3.512 1.752 198 HG11 VAL 24 HG11 VAL 24 -9.980 -1.484 0.883 199 HG12 VAL 24 HG12 VAL 24 -10.154 -2.951 1.874 200 HG13 VAL 24 HG13 VAL 24 -9.389 -1.497 2.534 201 HG21 VAL 24 HG21 VAL 24 -9.153 -3.763 -0.345 202 HG22 VAL 24 HG22 VAL 24 -8.568 -2.183 -0.918 203 HG23 VAL 24 HG23 VAL 24 -7.433 -3.527 -0.661 204 H HIS 25 H HIS 25 -5.096 -0.213 0.195 205 HA HIS 25 HA HIS 25 -3.227 -2.490 -0.164 206 HB2 HIS 25 HB2 HIS 25 -5.133 -2.600 -1.928 207 HB3 HIS 25 HB3 HIS 25 -4.532 -1.063 -2.480 208 HD1 HIS 25 HD1 HIS 25 -3.107 -1.348 -4.582 209 HD2 HIS 25 HD2 HIS 25 -2.857 -4.555 -1.838 210 HE1 HIS 25 HE1 HIS 25 -1.432 -3.056 -5.587 211 HE2 HIS 25 HE2 HIS 25 -1.286 -5.005 -3.914 212 H PHE 26 H PHE 26 -1.144 -1.811 -0.641 213 HA PHE 26 HA PHE 26 -0.635 1.111 -0.856 214 HB2 PHE 26 HB2 PHE 26 0.591 -0.216 0.870 215 HB3 PHE 26 HB3 PHE 26 1.248 -1.239 -0.397 216 HD1 PHE 26 HD1 PHE 26 0.921 2.483 0.270 217 HD2 PHE 26 HD2 PHE 26 3.506 -0.790 -0.865 218 HE1 PHE 26 HE1 PHE 26 2.802 4.061 -0.012 219 HE2 PHE 26 HE2 PHE 26 5.386 0.798 -1.134 220 HZ PHE 26 HZ PHE 26 5.034 3.222 -0.711 221 H VAL 27 H VAL 27 0.437 2.052 -2.568 222 HA VAL 27 HA VAL 27 1.172 0.300 -4.908 223 HB VAL 27 HB VAL 27 0.093 3.122 -5.022 224 HG11 VAL 27 HG11 VAL 27 1.728 2.791 -6.789 225 HG12 VAL 27 HG12 VAL 27 0.976 1.248 -7.251 226 HG13 VAL 27 HG13 VAL 27 0.104 2.780 -7.484 227 HG21 VAL 27 HG21 VAL 27 -1.121 0.542 -6.065 228 HG22 VAL 27 HG22 VAL 27 -1.668 1.402 -4.610 229 HG23 VAL 27 HG23 VAL 27 -1.805 2.183 -6.188 230 H GLY 28 H GLY 28 2.037 3.513 -3.388 231 HA2 GLY 28 HA2 GLY 28 4.856 3.059 -3.684 232 HA3 GLY 28 HA3 GLY 28 4.243 3.938 -5.088 233 H VAL 29 H VAL 29 5.937 5.366 -4.178 234 HA VAL 29 HA VAL 29 4.926 7.274 -2.095 235 HB VAL 29 HB VAL 29 7.825 6.417 -2.521 236 HG11 VAL 29 HG11 VAL 29 7.654 8.693 -1.672 237 HG12 VAL 29 HG12 VAL 29 6.448 8.173 -0.462 238 HG13 VAL 29 HG13 VAL 29 8.144 7.630 -0.349 239 HG21 VAL 29 HG21 VAL 29 5.820 5.649 -0.364 240 HG22 VAL 29 HG22 VAL 29 6.659 4.561 -1.502 241 HG23 VAL 29 HG23 VAL 29 7.577 5.381 -0.244 242 H GLY 30 H GLY 30 4.767 9.356 -2.776 243 HA2 GLY 30 HA2 GLY 30 4.985 11.233 -4.073 244 HA3 GLY 30 HA3 GLY 30 6.575 10.657 -4.534 245 H SER 31 H SER 31 4.393 8.346 -5.510 246 HA SER 31 HA SER 31 3.410 9.230 -8.061 247 HB2 SER 31 HB2 SER 31 6.085 7.782 -7.940 248 HB3 SER 31 HB3 SER 31 5.017 7.651 -9.347 249 HG SER 31 HG SER 31 5.739 10.176 -8.302 250 H CYS 32 H CYS 32 2.577 7.341 -9.308 251 HA CYS 32 HA CYS 32 1.871 4.997 -7.607 252 HB2 CYS 32 HB2 CYS 32 0.519 6.179 -10.048 253 HB3 CYS 32 HB3 CYS 32 -0.005 4.730 -9.202 254 H GLY 33 H GLY 33 3.037 3.256 -8.009 255 HA2 GLY 33 HA2 GLY 33 4.515 2.871 -10.568 256 HA3 GLY 33 HA3 GLY 33 4.837 2.085 -9.030 257 H SER 34 H SER 34 2.667 2.140 -11.812 258 HA SER 34 HA SER 34 1.238 -0.319 -11.191 259 HB2 SER 34 HB2 SER 34 0.497 1.595 -12.741 260 HB3 SER 34 HB3 SER 34 1.605 0.911 -13.941 261 HG SER 34 HG SER 34 -0.729 -0.227 -12.772 262 H GLY 35 H GLY 35 1.273 -2.172 -12.781 263 HA2 GLY 35 HA2 GLY 35 2.737 -3.327 -14.503 264 HA3 GLY 35 HA3 GLY 35 4.066 -3.121 -13.365 265 H GLY 36 H GLY 36 3.939 -5.508 -14.034 266 HA2 GLY 36 HA2 GLY 36 4.135 -7.553 -12.900 267 HA3 GLY 36 HA3 GLY 36 2.905 -7.065 -11.736 268 H SER 37 H SER 37 2.942 -9.583 -12.807 269 HA SER 37 HA SER 37 0.374 -9.812 -14.265 270 HB2 SER 37 HB2 SER 37 2.103 -9.501 -16.010 271 HB3 SER 37 HB3 SER 37 2.987 -10.900 -15.391 272 HG SER 37 HG SER 37 1.306 -12.226 -16.027 273 H GLY 38 H GLY 38 -0.530 -10.961 -12.574 274 HA2 GLY 38 HA2 GLY 38 -1.175 -12.887 -11.461 275 HA3 GLY 38 HA3 GLY 38 -0.014 -13.792 -12.425 276 H ILE 39 H ILE 39 1.462 -11.278 -10.700 277 HA ILE 39 HA ILE 39 3.026 -13.104 -9.045 278 HB ILE 39 HB ILE 39 3.004 -10.081 -9.329 279 HG12 ILE 39 HG12 ILE 39 5.095 -12.050 -10.379 280 HG13 ILE 39 HG13 ILE 39 3.709 -11.579 -11.344 281 HG21 ILE 39 HG21 ILE 39 5.267 -10.126 -8.255 282 HG22 ILE 39 HG22 ILE 39 3.978 -10.573 -7.159 283 HG23 ILE 39 HG23 ILE 39 5.023 -11.839 -7.871 284 HD11 ILE 39 HD11 ILE 39 4.388 -9.171 -11.117 285 HD12 ILE 39 HD12 ILE 39 5.916 -9.739 -10.402 286 HD13 ILE 39 HD13 ILE 39 5.478 -10.204 -12.058 287 H PHE 40 H PHE 40 3.070 -13.242 -6.874 288 HA PHE 40 HA PHE 40 0.959 -11.925 -5.215 289 HB2 PHE 40 HB2 PHE 40 0.184 -13.954 -4.349 290 HB3 PHE 40 HB3 PHE 40 0.212 -14.139 -6.089 291 HD1 PHE 40 HD2 PHE 40 2.069 -15.539 -7.169 292 HD2 PHE 40 HD1 PHE 40 1.405 -15.430 -2.907 293 HE1 PHE 40 HE2 PHE 40 3.401 -17.620 -6.902 294 HE2 PHE 40 HE1 PHE 40 2.723 -17.513 -2.646 295 HZ PHE 40 HZ PHE 40 3.731 -18.609 -4.641 296 H LEU 41 H LEU 41 4.035 -11.840 -5.468 297 HA LEU 41 HA LEU 41 5.222 -12.672 -2.992 298 HB2 LEU 41 HB2 LEU 41 5.921 -10.428 -4.935 299 HB3 LEU 41 HB3 LEU 41 6.960 -10.929 -3.608 300 HG LEU 41 HG LEU 41 6.119 -12.800 -5.866 301 HD11 LEU 41 HD11 LEU 41 8.695 -11.215 -5.502 302 HD12 LEU 41 HD12 LEU 41 7.450 -10.917 -6.734 303 HD13 LEU 41 HD13 LEU 41 8.377 -12.424 -6.767 304 HD21 LEU 41 HD21 LEU 41 8.052 -14.144 -5.085 305 HD22 LEU 41 HD22 LEU 41 6.826 -13.989 -3.822 306 HD23 LEU 41 HD23 LEU 41 8.306 -13.005 -3.745 307 H GLU 42 H GLU 42 3.418 -9.781 -3.832 308 HA GLU 42 HA GLU 42 3.934 -8.281 -1.396 309 HB2 GLU 42 HB2 GLU 42 2.133 -6.838 -2.182 310 HB3 GLU 42 HB3 GLU 42 3.254 -7.198 -3.494 311 HG2 GLU 42 HG2 GLU 42 1.658 -8.925 -4.366 312 HG3 GLU 42 HG3 GLU 42 0.550 -8.534 -3.046 313 H THR 43 H THR 43 2.265 -7.722 0.208 314 HA THR 43 HA THR 43 1.041 -9.941 1.475 315 HB THR 43 HB THR 43 0.430 -6.988 1.775 316 HG1 THR 43 HG1 THR 43 2.006 -7.118 3.405 317 HG21 THR 43 HG21 THR 43 -0.106 -7.595 4.147 318 HG22 THR 43 HG22 THR 43 0.058 -9.313 3.725 319 HG23 THR 43 HG23 THR 43 -1.237 -8.324 3.007 320 H SER 44 H SER 44 -0.264 -7.765 -0.952 321 HA SER 44 HA SER 44 -2.291 -7.526 -1.970 322 HB2 SER 44 HB2 SER 44 -1.416 -9.727 -2.763 323 HB3 SER 44 HB3 SER 44 -2.481 -10.530 -1.604 324 HG SER 44 HG SER 44 -4.252 -9.615 -2.659 325 H LEU 45 H LEU 45 -2.666 -6.614 0.471 326 HA LEU 45 HA LEU 45 -4.608 -7.724 2.154 327 HB2 LEU 45 HB2 LEU 45 -3.862 -4.861 1.530 328 HB3 LEU 45 HB3 LEU 45 -5.131 -5.219 2.684 329 HG LEU 45 HG LEU 45 -3.085 -6.793 3.666 330 HD11 LEU 45 HD11 LEU 45 -1.807 -4.244 2.550 331 HD12 LEU 45 HD12 LEU 45 -1.494 -5.881 1.950 332 HD13 LEU 45 HD13 LEU 45 -1.025 -5.441 3.603 333 HD21 LEU 45 HD21 LEU 45 -2.692 -4.946 5.289 334 HD22 LEU 45 HD22 LEU 45 -4.417 -5.192 4.982 335 HD23 LEU 45 HD23 LEU 45 -3.575 -3.838 4.208 336 H SER 46 H SER 46 -5.179 -6.334 -0.960 337 HA SER 46 HA SER 46 -7.932 -5.741 -0.948 338 HB2 SER 46 HB2 SER 46 -6.328 -7.088 -3.151 339 HB3 SER 46 HB3 SER 46 -7.829 -6.171 -3.357 340 HG SER 46 HG SER 46 -6.778 -4.311 -2.919 341 H ALA 47 H ALA 47 -6.463 -8.898 -0.645 342 HA ALA 47 HA ALA 47 -9.168 -10.136 -0.585 343 HB1 ALA 47 HB1 ALA 47 -8.315 -12.111 -1.759 344 HB2 ALA 47 HB2 ALA 47 -8.236 -10.663 -2.782 345 HB3 ALA 47 HB3 ALA 47 -6.754 -11.299 -2.028 346 H GLY 48 H GLY 48 -9.450 -10.713 1.421 347 HA2 GLY 48 HA2 GLY 48 -9.134 -12.118 3.302 348 HA3 GLY 48 HA3 GLY 48 -7.436 -12.315 2.904 349 H SER 49 H SER 49 -8.095 -8.999 2.762 350 HA SER 49 HA SER 49 -7.870 -8.456 5.650 351 HB2 SER 49 HB2 SER 49 -5.625 -8.347 3.889 352 HB3 SER 49 HB3 SER 49 -6.090 -6.672 4.223 353 HG SER 49 HG SER 49 -5.848 -7.061 6.407 354 H ASP 50 H ASP 50 -7.548 -5.723 5.523 355 HA ASP 50 HA ASP 50 -9.565 -4.539 3.815 356 HB2 ASP 50 HB2 ASP 50 -10.599 -5.771 5.983 357 HB3 ASP 50 HB3 ASP 50 -10.066 -4.306 6.790 358 H TRP 51 H TRP 51 -9.826 -2.283 4.487 359 HA TRP 51 HA TRP 51 -7.490 -0.650 4.757 360 HB2 TRP 51 HB2 TRP 51 -9.181 0.556 3.880 361 HB3 TRP 51 HB3 TRP 51 -10.428 -0.287 4.770 362 HD1 TRP 51 HD1 TRP 51 -11.515 0.907 6.707 363 HE1 TRP 51 HE1 TRP 51 -11.121 3.098 7.999 364 HE3 TRP 51 HE3 TRP 51 -6.956 2.184 4.784 365 HZ2 TRP 51 HZ2 TRP 51 -9.119 5.163 8.129 366 HZ3 TRP 51 HZ3 TRP 51 -5.825 4.280 5.496 367 HH2 TRP 51 HH2 TRP 51 -6.909 5.789 7.138 368 H LEU 52 H LEU 52 -9.701 -1.944 7.201 369 HA LEU 52 HA LEU 52 -8.717 -0.487 9.432 370 HB2 LEU 52 HB2 LEU 52 -10.811 -2.091 9.043 371 HB3 LEU 52 HB3 LEU 52 -9.777 -3.274 9.837 372 HG LEU 52 HG LEU 52 -10.323 -0.486 10.980 373 HD11 LEU 52 HD11 LEU 52 -12.081 -1.477 12.355 374 HD12 LEU 52 HD12 LEU 52 -11.887 -3.035 11.513 375 HD13 LEU 52 HD13 LEU 52 -12.465 -1.596 10.635 376 HD21 LEU 52 HD21 LEU 52 -9.447 -3.091 12.309 377 HD22 LEU 52 HD22 LEU 52 -9.820 -1.572 13.154 378 HD23 LEU 52 HD23 LEU 52 -8.442 -1.645 12.058 379 H THR 53 H THR 53 -7.661 -3.672 8.143 380 HA THR 53 HA THR 53 -5.394 -3.864 9.975 381 HB THR 53 HB THR 53 -4.605 -5.635 8.331 382 HG1 THR 53 HG1 THR 53 -6.192 -4.674 6.667 383 HG21 THR 53 HG21 THR 53 -6.280 -7.267 9.057 384 HG22 THR 53 HG22 THR 53 -7.393 -5.960 9.515 385 HG23 THR 53 HG23 THR 53 -5.859 -6.177 10.392 386 H PHE 54 H PHE 54 -5.795 -2.526 6.693 387 HA PHE 54 HA PHE 54 -3.129 -2.341 5.867 388 HB2 PHE 54 HB2 PHE 54 -5.019 -1.861 4.400 389 HB3 PHE 54 HB3 PHE 54 -5.486 -0.496 5.402 390 HD1 PHE 54 HD1 PHE 54 -2.817 -1.686 3.100 391 HD2 PHE 54 HD2 PHE 54 -4.620 1.677 5.103 392 HE1 PHE 54 HE1 PHE 54 -1.368 -0.130 1.825 393 HE2 PHE 54 HE2 PHE 54 -3.182 3.235 3.793 394 HZ PHE 54 HZ PHE 54 -1.524 2.327 2.194 395 H GLN 55 H GLN 55 -4.919 -0.000 7.833 396 HA GLN 55 HA GLN 55 -2.925 1.988 8.196 397 HB2 GLN 55 HB2 GLN 55 -5.089 0.952 10.065 398 HB3 GLN 55 HB3 GLN 55 -4.113 2.381 10.419 399 HG2 GLN 55 HG2 GLN 55 -5.058 3.638 8.662 400 HG3 GLN 55 HG3 GLN 55 -5.644 2.202 7.812 401 HE21 GLN 55 HE21 GLN 55 -7.536 1.186 8.441 402 HE22 GLN 55 HE22 GLN 55 -8.641 1.927 9.588 403 H LYS 56 H LYS 56 -3.681 -0.680 10.433 404 HA LYS 56 HA LYS 56 -1.299 -0.311 12.044 405 HB2 LYS 56 HB2 LYS 56 -3.101 -2.769 11.833 406 HB3 LYS 56 HB3 LYS 56 -1.781 -2.573 12.983 407 HG2 LYS 56 HG2 LYS 56 -3.468 -1.840 14.324 408 HG3 LYS 56 HG3 LYS 56 -2.983 -0.304 13.609 409 HD2 LYS 56 HD2 LYS 56 -4.851 -0.947 11.811 410 HD3 LYS 56 HD3 LYS 56 -5.447 -1.994 13.085 411 HE2 LYS 56 HE2 LYS 56 -4.992 1.028 13.247 412 HE3 LYS 56 HE3 LYS 56 -6.550 0.240 12.988 413 HZ1 LYS 56 HZ1 LYS 56 -6.257 0.839 15.312 414 HZ2 LYS 56 HZ2 LYS 56 -4.892 -0.042 15.440 415 HZ3 LYS 56 HZ3 LYS 56 -6.329 -0.787 15.191 416 H LYS 57 H LYS 57 -1.630 -1.971 9.053 417 HA LYS 57 HA LYS 57 0.768 -3.560 9.173 418 HB2 LYS 57 HB2 LYS 57 -1.347 -3.435 7.438 419 HB3 LYS 57 HB3 LYS 57 -0.194 -2.518 6.529 420 HG2 LYS 57 HG2 LYS 57 0.162 -4.714 5.782 421 HG3 LYS 57 HG3 LYS 57 1.441 -4.542 6.998 422 HD2 LYS 57 HD2 LYS 57 -0.186 -5.579 8.675 423 HD3 LYS 57 HD3 LYS 57 -1.304 -5.831 7.320 424 HE2 LYS 57 HE2 LYS 57 0.441 -7.222 6.182 425 HE3 LYS 57 HE3 LYS 57 1.512 -6.992 7.569 426 HZ1 LYS 57 HZ1 LYS 57 -0.156 -8.123 8.953 427 HZ2 LYS 57 HZ2 LYS 57 0.308 -9.095 7.728 428 HZ3 LYS 57 HZ3 LYS 57 -1.139 -8.344 7.666 429 H HIS 58 H HIS 58 0.292 -0.436 7.519 430 HA HIS 58 HA HIS 58 3.257 0.075 7.713 431 HB2 HIS 58 HB2 HIS 58 1.640 1.000 5.353 432 HB3 HIS 58 HB3 HIS 58 3.374 0.749 5.528 433 HD1 HIS 58 HD1 HIS 58 4.210 -1.894 5.376 434 HD2 HIS 58 HD2 HIS 58 0.141 -1.049 4.539 435 HE1 HIS 58 HE1 HIS 58 3.228 -3.984 4.276 436 HE2 HIS 58 HE2 HIS 58 0.796 -3.427 3.638 437 H ILE 59 H ILE 59 0.645 1.426 9.025 438 HA ILE 59 HA ILE 59 1.606 4.241 8.595 439 HB ILE 59 HB ILE 59 -1.316 3.478 8.905 440 HG12 ILE 59 HG12 ILE 59 0.413 3.869 6.451 441 HG13 ILE 59 HG13 ILE 59 -0.743 2.593 6.789 442 HG21 ILE 59 HG21 ILE 59 -0.718 5.777 9.682 443 HG22 ILE 59 HG22 ILE 59 -0.017 6.099 8.078 444 HG23 ILE 59 HG23 ILE 59 -1.756 5.798 8.286 445 HD11 ILE 59 HD11 ILE 59 -1.528 4.042 5.017 446 HD12 ILE 59 HD12 ILE 59 -2.605 4.200 6.430 447 HD13 ILE 59 HD13 ILE 59 -1.408 5.470 6.037 448 H THR 60 H THR 60 1.530 5.627 10.321 449 HA THR 60 HA THR 60 0.611 4.577 12.955 450 HB THR 60 HB THR 60 2.926 3.854 12.859 451 HG1 THR 60 HG1 THR 60 3.568 5.084 14.768 452 HG21 THR 60 HG21 THR 60 4.791 5.417 12.879 453 HG22 THR 60 HG22 THR 60 3.698 6.801 12.654 454 HG23 THR 60 HG23 THR 60 3.898 5.593 11.365 455 H ASN 61 H ASN 61 0.369 6.074 14.622 456 HA ASN 61 HA ASN 61 -0.297 8.825 13.813 457 HB2 ASN 61 HB2 ASN 61 -1.394 8.921 15.944 458 HB3 ASN 61 HB3 ASN 61 -1.887 7.436 15.153 459 HD21 ASN 61 HD21 ASN 61 -1.356 5.410 16.199 460 HD22 ASN 61 HD22 ASN 61 -0.550 5.411 17.760 461 H THR 62 H THR 62 2.442 7.197 14.884 462 HA THR 62 HA THR 62 3.958 9.618 15.372 463 HB THR 62 HB THR 62 2.975 9.438 17.571 464 HG1 THR 62 HG1 THR 62 4.899 9.324 18.727 465 HG21 THR 62 HG21 THR 62 2.537 6.928 17.591 466 HG22 THR 62 HG22 THR 62 3.204 7.619 19.081 467 HG23 THR 62 HG23 THR 62 4.254 6.712 17.980 468 H ARG 63 H ARG 63 5.900 9.209 14.352 469 HA ARG 63 HA ARG 63 6.737 6.501 13.724 470 HB2 ARG 63 HB2 ARG 63 7.336 8.447 12.287 471 HB3 ARG 63 HB3 ARG 63 8.395 9.043 13.587 472 HG2 ARG 63 HG2 ARG 63 9.594 6.759 13.459 473 HG3 ARG 63 HG3 ARG 63 8.552 6.399 12.074 474 HD2 ARG 63 HD2 ARG 63 10.598 7.072 11.196 475 HD3 ARG 63 HD3 ARG 63 9.509 8.436 10.932 476 HE ARG 63 HE ARG 63 11.788 8.235 12.860 477 HH11 ARG 63 HH11 ARG 63 9.315 10.372 11.619 478 HH12 ARG 63 HH12 ARG 63 10.067 11.781 12.317 479 HH21 ARG 63 HH21 ARG 63 12.694 10.047 13.698 480 HH22 ARG 63 HH22 ARG 63 11.941 11.591 13.449 481 H ASP 64 H ASP 64 7.070 5.237 15.396 482 HA ASP 64 HA ASP 64 9.099 5.976 17.456 483 HB2 ASP 64 HB2 ASP 64 6.714 5.464 18.126 484 HB3 ASP 64 HB3 ASP 64 6.963 3.816 17.551 485 H VAL 65 H VAL 65 9.212 4.462 14.623 486 HA VAL 65 HA VAL 65 10.586 1.982 15.345 487 HB VAL 65 HB VAL 65 9.249 2.052 13.340 488 HG11 VAL 65 HG11 VAL 65 9.463 4.342 12.578 489 HG12 VAL 65 HG12 VAL 65 11.201 4.126 12.250 490 HG13 VAL 65 HG13 VAL 65 9.993 3.249 11.301 491 HG21 VAL 65 HG21 VAL 65 11.306 0.595 13.498 492 HG22 VAL 65 HG22 VAL 65 10.734 0.926 11.868 493 HG23 VAL 65 HG23 VAL 65 12.135 1.806 12.468 494 H ASP 66 H ASP 66 12.709 1.522 15.271 495 HA ASP 66 HA ASP 66 14.706 3.616 14.513 496 HB2 ASP 66 HB2 ASP 66 14.371 3.294 17.029 497 HB3 ASP 66 HB3 ASP 66 15.036 1.673 16.815 498 H CYS 67 H CYS 67 13.474 0.927 13.429 499 HA CYS 67 HA CYS 67 14.016 -0.980 12.346 500 HB2 CYS 67 HB2 CYS 67 16.345 0.651 11.336 501 HB3 CYS 67 HB3 CYS 67 15.509 -0.673 10.516 502 H ASP 68 H ASP 68 14.674 -1.295 14.853 503 HA ASP 68 HA ASP 68 16.747 -3.345 14.912 504 HB2 ASP 68 HB2 ASP 68 17.128 -0.666 16.245 505 HB3 ASP 68 HB3 ASP 68 17.618 -2.096 17.139 506 H ASN 69 H ASN 69 14.068 -1.657 16.514 507 HA ASN 69 HA ASN 69 13.857 -3.813 18.535 508 HB2 ASN 69 HB2 ASN 69 12.514 -2.354 19.838 509 HB3 ASN 69 HB3 ASN 69 14.037 -1.573 19.431 510 HD21 ASN 69 HD21 ASN 69 14.001 0.262 18.174 511 HD22 ASN 69 HD22 ASN 69 12.485 1.081 17.766 512 H ILE 70 H ILE 70 12.550 -3.092 15.541 513 HA ILE 70 HA ILE 70 9.789 -3.557 15.862 514 HB ILE 70 HB ILE 70 9.703 -3.965 13.481 515 HG12 ILE 70 HG12 ILE 70 12.716 -4.323 13.695 516 HG13 ILE 70 HG13 ILE 70 11.512 -5.386 12.951 517 HG21 ILE 70 HG21 ILE 70 9.952 -1.690 14.515 518 HG22 ILE 70 HG22 ILE 70 11.685 -1.751 14.123 519 HG23 ILE 70 HG23 ILE 70 10.462 -1.786 12.831 520 HD11 ILE 70 HD11 ILE 70 12.768 -4.326 11.218 521 HD12 ILE 70 HD12 ILE 70 11.132 -3.630 11.197 522 HD13 ILE 70 HD13 ILE 70 12.498 -2.720 11.899 523 H MET 71 H MET 71 12.249 -5.778 16.274 524 HA MET 71 HA MET 71 10.926 -8.276 15.749 525 HB2 MET 71 HB2 MET 71 12.513 -9.314 17.152 526 HB3 MET 71 HB3 MET 71 13.317 -8.002 16.311 527 HG2 MET 71 HG2 MET 71 14.187 -7.735 18.398 528 HG3 MET 71 HG3 MET 71 12.826 -6.620 18.501 529 HE1 MET 71 HE1 MET 71 14.425 -7.653 21.037 530 HE2 MET 71 HE2 MET 71 13.014 -6.571 21.123 531 HE3 MET 71 HE3 MET 71 13.087 -8.020 22.149 532 H SER 72 H SER 72 10.325 -5.940 18.302 533 HA SER 72 HA SER 72 8.504 -7.734 19.792 534 HB2 SER 72 HB2 SER 72 9.218 -4.800 20.153 535 HB3 SER 72 HB3 SER 72 8.171 -5.743 21.231 536 HG SER 72 HG SER 72 10.293 -5.697 22.020 537 H THR 73 H THR 73 8.112 -5.979 16.973 538 HA THR 73 HA THR 73 5.313 -5.078 17.569 539 HB THR 73 HB THR 73 5.444 -3.578 15.743 540 HG1 THR 73 HG1 THR 73 7.881 -4.875 15.130 541 HG21 THR 73 HG21 THR 73 7.305 -2.090 16.279 542 HG22 THR 73 HG22 THR 73 8.082 -3.358 17.246 543 HG23 THR 73 HG23 THR 73 6.516 -2.694 17.748 544 H ASN 74 H ASN 74 4.031 -5.041 15.291 545 HA ASN 74 HA ASN 74 3.586 -7.767 14.444 546 HB2 ASN 74 HB2 ASN 74 2.720 -5.143 13.141 547 HB3 ASN 74 HB3 ASN 74 2.049 -6.738 12.816 548 HD21 ASN 74 HD21 ASN 74 1.753 -3.928 14.772 549 HD22 ASN 74 HD22 ASN 74 0.617 -4.631 15.916 550 H LEU 75 H LEU 75 5.896 -5.413 13.417 551 HA LEU 75 HA LEU 75 6.336 -6.556 10.734 552 HB2 LEU 75 HB2 LEU 75 7.398 -4.137 12.239 553 HB3 LEU 75 HB3 LEU 75 7.976 -4.586 10.668 554 HG LEU 75 HG LEU 75 6.488 -2.830 10.360 555 HD11 LEU 75 HD11 LEU 75 4.897 -3.715 8.771 556 HD12 LEU 75 HD12 LEU 75 4.973 -5.323 9.499 557 HD13 LEU 75 HD13 LEU 75 6.394 -4.654 8.661 558 HD21 LEU 75 HD21 LEU 75 4.189 -4.350 11.592 559 HD22 LEU 75 HD22 LEU 75 4.204 -2.696 10.976 560 HD23 LEU 75 HD23 LEU 75 5.123 -3.088 12.442 561 H PHE 76 H PHE 76 7.111 -8.054 13.238 562 HA PHE 76 HA PHE 76 9.929 -8.056 13.651 563 HB2 PHE 76 HB2 PHE 76 9.557 -9.975 14.975 564 HB3 PHE 76 HB3 PHE 76 8.217 -8.877 15.253 565 HD1 PHE 76 HD1 PHE 76 5.919 -9.465 14.328 566 HD2 PHE 76 HD2 PHE 76 9.261 -12.165 14.024 567 HE1 PHE 76 HE1 PHE 76 4.357 -11.339 13.915 568 HE2 PHE 76 HE2 PHE 76 7.692 -14.047 13.592 569 HZ PHE 76 HZ PHE 76 5.238 -13.640 13.555 570 H HIS 77 H HIS 77 8.235 -9.166 11.057 571 HA HIS 77 HA HIS 77 9.374 -11.648 10.345 572 HB2 HIS 77 HB2 HIS 77 8.076 -9.464 8.668 573 HB3 HIS 77 HB3 HIS 77 8.354 -11.117 8.103 574 HD1 HIS 77 HD1 HIS 77 7.063 -13.071 9.764 575 HD2 HIS 77 HD2 HIS 77 5.779 -9.038 9.846 576 HE1 HIS 77 HE1 HIS 77 4.723 -13.064 10.833 577 HE2 HIS 77 HE2 HIS 77 3.957 -10.598 10.892 578 H CYS 78 H CYS 78 11.148 -8.896 10.512 579 HA CYS 78 HA CYS 78 13.139 -8.121 9.666 580 HB2 CYS 78 HB2 CYS 78 13.311 -10.851 10.222 581 HB3 CYS 78 HB3 CYS 78 14.162 -10.697 8.708 582 H LYS 79 H LYS 79 10.923 -8.306 7.693 583 HA LYS 79 HA LYS 79 11.749 -9.073 5.124 584 HB2 LYS 79 HB2 LYS 79 9.800 -7.643 4.339 585 HB3 LYS 79 HB3 LYS 79 9.485 -8.936 5.477 586 HG2 LYS 79 HG2 LYS 79 8.146 -7.067 6.061 587 HG3 LYS 79 HG3 LYS 79 9.313 -7.341 7.339 588 HD2 LYS 79 HD2 LYS 79 10.170 -5.380 5.266 589 HD3 LYS 79 HD3 LYS 79 8.709 -4.925 6.103 590 HE2 LYS 79 HE2 LYS 79 11.276 -5.696 7.580 591 HE3 LYS 79 HE3 LYS 79 10.941 -4.056 7.046 592 HZ1 LYS 79 HZ1 LYS 79 9.282 -5.602 8.966 593 HZ2 LYS 79 HZ2 LYS 79 8.889 -4.101 8.407 594 HZ3 LYS 79 HZ3 LYS 79 10.235 -4.328 9.309 595 H ASP 80 H ASP 80 12.054 -7.898 3.204 596 HA ASP 80 HA ASP 80 14.478 -6.593 3.217 597 HB2 ASP 80 HB2 ASP 80 12.350 -6.539 1.041 598 HB3 ASP 80 HB3 ASP 80 14.051 -6.140 0.811 599 H LYS 81 H LYS 81 11.333 -4.971 2.937 600 HA LYS 81 HA LYS 81 12.368 -2.678 4.285 601 HB2 LYS 81 HB2 LYS 81 11.624 -0.966 2.506 602 HB3 LYS 81 HB3 LYS 81 13.157 -1.777 2.247 603 HG2 LYS 81 HG2 LYS 81 12.297 -3.208 0.579 604 HG3 LYS 81 HG3 LYS 81 10.613 -2.780 0.930 605 HD2 LYS 81 HD2 LYS 81 12.563 -0.625 0.086 606 HD3 LYS 81 HD3 LYS 81 11.944 -1.715 -1.141 607 HE2 LYS 81 HE2 LYS 81 10.107 -0.166 0.736 608 HE3 LYS 81 HE3 LYS 81 10.719 0.520 -0.771 609 HZ1 LYS 81 HZ1 LYS 81 8.564 -0.516 -1.114 610 HZ2 LYS 81 HZ2 LYS 81 9.110 -1.972 -0.611 611 HZ3 LYS 81 HZ3 LYS 81 9.693 -1.306 -1.986 612 H ASN 82 H ASN 82 10.804 -1.158 4.947 613 HA ASN 82 HA ASN 82 7.980 -1.709 4.229 614 HB2 ASN 82 HB2 ASN 82 8.581 -2.761 6.494 615 HB3 ASN 82 HB3 ASN 82 8.789 -1.120 7.104 616 HD21 ASN 82 HD21 ASN 82 6.979 -1.017 8.496 617 HD22 ASN 82 HD22 ASN 82 5.361 -1.443 7.980 618 H THR 83 H THR 83 6.994 0.088 3.583 619 HA THR 83 HA THR 83 8.248 2.727 3.970 620 HB THR 83 HB THR 83 5.681 1.952 2.497 621 HG1 THR 83 HG1 THR 83 7.042 2.147 0.652 622 HG21 THR 83 HG21 THR 83 5.929 4.378 3.105 623 HG22 THR 83 HG22 THR 83 5.959 4.084 1.366 624 HG23 THR 83 HG23 THR 83 7.478 4.398 2.247 625 H PHE 84 H PHE 84 7.834 3.436 6.129 626 HA PHE 84 HA PHE 84 5.101 3.178 7.206 627 HB2 PHE 84 HB2 PHE 84 7.553 4.456 8.380 628 HB3 PHE 84 HB3 PHE 84 5.974 4.449 9.148 629 HD1 PHE 84 HD1 PHE 84 4.838 1.941 9.173 630 HD2 PHE 84 HD2 PHE 84 9.052 2.888 9.148 631 HE1 PHE 84 HE1 PHE 84 5.314 -0.145 10.446 632 HE2 PHE 84 HE2 PHE 84 9.538 0.649 10.139 633 HZ PHE 84 HZ PHE 84 7.668 -0.802 10.926 634 H ILE 85 H ILE 85 3.572 4.665 7.215 635 HA ILE 85 HA ILE 85 4.112 7.432 6.192 636 HB ILE 85 HB ILE 85 1.587 5.756 6.320 637 HG12 ILE 85 HG12 ILE 85 2.978 6.802 3.818 638 HG13 ILE 85 HG13 ILE 85 3.345 5.220 4.501 639 HG21 ILE 85 HG21 ILE 85 1.914 8.573 5.187 640 HG22 ILE 85 HG22 ILE 85 0.440 7.573 5.127 641 HG23 ILE 85 HG23 ILE 85 1.033 8.147 6.675 642 HD11 ILE 85 HD11 ILE 85 0.988 4.536 4.305 643 HD12 ILE 85 HD12 ILE 85 0.612 6.074 3.497 644 HD13 ILE 85 HD13 ILE 85 1.735 4.929 2.743 645 H TYR 86 H TYR 86 4.484 8.789 7.904 646 HA TYR 86 HA TYR 86 2.921 8.463 10.405 647 HB2 TYR 86 HB2 TYR 86 5.244 8.908 10.682 648 HB3 TYR 86 HB3 TYR 86 5.155 10.293 9.612 649 HD1 TYR 86 HD2 TYR 86 2.409 9.887 12.101 650 HD2 TYR 86 HD1 TYR 86 6.313 11.599 11.352 651 HE1 TYR 86 HE2 TYR 86 2.070 11.490 13.933 652 HE2 TYR 86 HE1 TYR 86 5.977 13.161 13.262 653 HH TYR 86 HH TYR 86 2.949 13.187 15.178 654 H SER 87 H SER 87 0.851 8.748 9.574 655 HA SER 87 HA SER 87 0.065 11.525 9.754 656 HB2 SER 87 HB2 SER 87 0.418 11.092 7.217 657 HB3 SER 87 HB3 SER 87 -1.047 10.099 7.321 658 HG SER 87 HG SER 87 -0.718 12.874 7.922 659 H ARG 88 H ARG 88 -2.392 11.635 9.408 660 HA ARG 88 HA ARG 88 -3.766 9.952 11.429 661 HB2 ARG 88 HB2 ARG 88 -4.522 12.385 9.741 662 HB3 ARG 88 HB3 ARG 88 -5.629 11.651 10.893 663 HG2 ARG 88 HG2 ARG 88 -4.319 12.251 12.769 664 HG3 ARG 88 HG3 ARG 88 -2.879 12.592 11.808 665 HD2 ARG 88 HD2 ARG 88 -5.448 14.201 11.604 666 HD3 ARG 88 HD3 ARG 88 -4.080 14.629 12.650 667 HE ARG 88 HE ARG 88 -2.905 14.321 10.170 668 HH11 ARG 88 HH11 ARG 88 -5.419 16.433 11.346 669 HH12 ARG 88 HH12 ARG 88 -5.062 17.668 10.169 670 HH21 ARG 88 HH21 ARG 88 -2.499 15.902 8.687 671 HH22 ARG 88 HH22 ARG 88 -3.439 17.363 8.706 672 HA PRO 89 HA PRO 89 -5.807 7.428 8.377 673 HB2 PRO 89 HB2 PRO 89 -8.308 6.967 9.413 674 HB3 PRO 89 HB3 PRO 89 -6.808 6.282 10.108 675 HG2 PRO 89 HG2 PRO 89 -8.301 8.775 10.986 676 HG3 PRO 89 HG3 PRO 89 -7.718 7.418 12.004 677 HD2 PRO 89 HD2 PRO 89 -6.286 9.705 11.748 678 HD3 PRO 89 HD3 PRO 89 -5.467 8.119 11.811 679 H GLU 90 H GLU 90 -7.300 10.503 9.158 680 HA GLU 90 HA GLU 90 -9.465 10.427 7.270 681 HB2 GLU 90 HB2 GLU 90 -8.098 12.746 8.674 682 HB3 GLU 90 HB3 GLU 90 -9.466 12.934 7.568 683 HG2 GLU 90 HG2 GLU 90 -10.812 11.399 8.992 684 HG3 GLU 90 HG3 GLU 90 -9.458 11.260 10.115 685 HA PRO 91 HA PRO 91 -6.803 12.776 4.088 686 HB2 PRO 91 HB2 PRO 91 -4.070 12.930 4.342 687 HB3 PRO 91 HB3 PRO 91 -5.189 14.141 5.035 688 HG2 PRO 91 HG2 PRO 91 -3.890 11.770 6.404 689 HG3 PRO 91 HG3 PRO 91 -3.989 13.464 6.986 690 HD2 PRO 91 HD2 PRO 91 -5.700 11.563 7.833 691 HD3 PRO 91 HD3 PRO 91 -6.269 13.224 7.557 692 H VAL 92 H VAL 92 -6.262 9.760 5.340 693 HA VAL 92 HA VAL 92 -4.978 8.638 2.869 694 HB VAL 92 HB VAL 92 -5.605 7.211 5.478 695 HG11 VAL 92 HG11 VAL 92 -5.310 5.717 3.549 696 HG12 VAL 92 HG12 VAL 92 -3.775 6.507 3.142 697 HG13 VAL 92 HG13 VAL 92 -3.933 5.579 4.646 698 HG21 VAL 92 HG21 VAL 92 -3.915 9.050 5.874 699 HG22 VAL 92 HG22 VAL 92 -3.295 7.424 6.135 700 HG23 VAL 92 HG23 VAL 92 -2.887 8.294 4.649 701 H LYS 93 H LYS 93 -7.771 8.023 5.036 702 HA LYS 93 HA LYS 93 -9.074 6.286 3.160 703 HB2 LYS 93 HB2 LYS 93 -9.463 6.748 5.799 704 HB3 LYS 93 HB3 LYS 93 -10.765 7.751 5.154 705 HG2 LYS 93 HG2 LYS 93 -11.160 5.526 3.651 706 HG3 LYS 93 HG3 LYS 93 -10.376 4.760 5.033 707 HD2 LYS 93 HD2 LYS 93 -12.930 6.448 5.112 708 HD3 LYS 93 HD3 LYS 93 -12.828 4.691 5.065 709 HE2 LYS 93 HE2 LYS 93 -13.216 5.030 7.274 710 HE3 LYS 93 HE3 LYS 93 -11.470 4.805 7.207 711 HZ1 LYS 93 HZ1 LYS 93 -12.107 6.658 8.639 712 HZ2 LYS 93 HZ2 LYS 93 -12.838 7.433 7.405 713 HZ3 LYS 93 HZ3 LYS 93 -11.210 7.219 7.397 714 H ALA 94 H ALA 94 -9.543 9.745 3.813 715 HA ALA 94 HA ALA 94 -11.906 9.964 2.161 716 HB1 ALA 94 HB1 ALA 94 -11.446 11.333 4.191 717 HB2 ALA 94 HB2 ALA 94 -10.134 12.151 3.300 718 HB3 ALA 94 HB3 ALA 94 -11.814 12.306 2.753 719 H ILE 95 H ILE 95 -8.687 9.762 1.198 720 HA ILE 95 HA ILE 95 -8.526 11.470 -1.043 721 HB ILE 95 HB ILE 95 -7.548 8.593 -0.892 722 HG12 ILE 95 HG12 ILE 95 -5.999 11.133 -0.185 723 HG13 ILE 95 HG13 ILE 95 -6.730 10.068 1.006 724 HG21 ILE 95 HG21 ILE 95 -7.502 9.631 -3.199 725 HG22 ILE 95 HG22 ILE 95 -6.489 10.933 -2.558 726 HG23 ILE 95 HG23 ILE 95 -5.911 9.251 -2.584 727 HD11 ILE 95 HD11 ILE 95 -5.329 8.169 0.190 728 HD12 ILE 95 HD12 ILE 95 -4.480 9.302 -0.890 729 HD13 ILE 95 HD13 ILE 95 -4.406 9.522 0.858 730 H CYS 96 H CYS 96 -10.362 8.466 -0.592 731 HA CYS 96 HA CYS 96 -11.626 8.820 -3.277 732 HB2 CYS 96 HB2 CYS 96 -12.157 6.477 -3.204 733 HB3 CYS 96 HB3 CYS 96 -10.420 6.735 -3.052 734 H LYS 97 H LYS 97 -13.843 8.351 -3.459 735 HA LYS 97 HA LYS 97 -15.631 8.317 -1.137 736 HB2 LYS 97 HB2 LYS 97 -14.899 10.726 -1.439 737 HB3 LYS 97 HB3 LYS 97 -15.716 10.751 -2.990 738 HG2 LYS 97 HG2 LYS 97 -17.107 10.053 -0.356 739 HG3 LYS 97 HG3 LYS 97 -16.902 11.706 -0.930 740 HD2 LYS 97 HD2 LYS 97 -18.170 11.131 -3.013 741 HD3 LYS 97 HD3 LYS 97 -18.516 9.529 -2.320 742 HE2 LYS 97 HE2 LYS 97 -19.602 10.583 -0.372 743 HE3 LYS 97 HE3 LYS 97 -19.224 12.187 -1.008 744 HZ1 LYS 97 HZ1 LYS 97 -21.498 11.541 -1.547 745 HZ2 LYS 97 HZ2 LYS 97 -20.997 10.208 -2.343 746 HZ3 LYS 97 HZ3 LYS 97 -20.643 11.694 -2.926 747 H GLY 98 H GLY 98 -16.783 6.615 -1.809 748 HA2 GLY 98 HA2 GLY 98 -18.559 5.584 -2.955 749 HA3 GLY 98 HA3 GLY 98 -18.473 6.805 -4.214 750 H ILE 99 H ILE 99 -15.368 5.583 -3.766 751 HA ILE 99 HA ILE 99 -15.418 4.221 -6.327 752 HB ILE 99 HB ILE 99 -13.148 4.581 -4.337 753 HG12 ILE 99 HG12 ILE 99 -13.965 6.075 -6.875 754 HG13 ILE 99 HG13 ILE 99 -13.981 6.699 -5.228 755 HG21 ILE 99 HG21 ILE 99 -13.163 3.533 -7.217 756 HG22 ILE 99 HG22 ILE 99 -11.709 3.941 -6.298 757 HG23 ILE 99 HG23 ILE 99 -12.704 2.614 -5.754 758 HD11 ILE 99 HD11 ILE 99 -11.578 6.152 -6.978 759 HD12 ILE 99 HD12 ILE 99 -12.082 7.660 -6.192 760 HD13 ILE 99 HD13 ILE 99 -11.420 6.334 -5.221 761 H ILE 100 H ILE 100 -16.169 2.305 -6.588 762 HA ILE 100 HA ILE 100 -15.527 0.061 -4.705 763 HB ILE 100 HB ILE 100 -17.600 -0.071 -6.908 764 HG12 ILE 100 HG12 ILE 100 -17.989 0.963 -4.067 765 HG13 ILE 100 HG13 ILE 100 -18.284 1.848 -5.566 766 HG21 ILE 100 HG21 ILE 100 -18.519 -1.883 -5.574 767 HG22 ILE 100 HG22 ILE 100 -16.804 -2.196 -5.735 768 HG23 ILE 100 HG23 ILE 100 -17.433 -1.497 -4.225 769 HD11 ILE 100 HD11 ILE 100 -20.395 1.255 -4.676 770 HD12 ILE 100 HD12 ILE 100 -20.129 0.251 -6.116 771 HD13 ILE 100 HD13 ILE 100 -19.941 -0.441 -4.482 772 H ALA 101 H ALA 101 -14.627 1.433 -7.633 773 HA ALA 101 HA ALA 101 -14.199 -0.797 -9.340 774 HB1 ALA 101 HB1 ALA 101 -14.638 1.539 -10.049 775 HB2 ALA 101 HB2 ALA 101 -13.041 2.024 -9.425 776 HB3 ALA 101 HB3 ALA 101 -13.166 0.895 -10.790 777 H SER 102 H SER 102 -12.445 -0.434 -6.621 778 HA SER 102 HA SER 102 -10.334 -0.808 -5.874 779 HB2 SER 102 HB2 SER 102 -11.045 -3.022 -6.899 780 HB3 SER 102 HB3 SER 102 -9.915 -2.664 -8.212 781 HG SER 102 HG SER 102 -9.483 -3.505 -5.654 782 H LYS 103 H LYS 103 -10.029 1.509 -6.563 783 HA LYS 103 HA LYS 103 -7.433 1.866 -7.850 784 HB2 LYS 103 HB2 LYS 103 -9.041 1.852 -9.763 785 HB3 LYS 103 HB3 LYS 103 -9.838 3.277 -9.090 786 HG2 LYS 103 HG2 LYS 103 -7.849 4.620 -9.418 787 HG3 LYS 103 HG3 LYS 103 -6.859 3.185 -9.759 788 HD2 LYS 103 HD2 LYS 103 -8.141 2.794 -11.840 789 HD3 LYS 103 HD3 LYS 103 -9.131 4.234 -11.503 790 HE2 LYS 103 HE2 LYS 103 -7.100 5.652 -11.550 791 HE3 LYS 103 HE3 LYS 103 -6.092 4.227 -11.824 792 HZ1 LYS 103 HZ1 LYS 103 -8.183 5.207 -13.697 793 HZ2 LYS 103 HZ2 LYS 103 -7.241 3.895 -13.946 794 HZ3 LYS 103 HZ3 LYS 103 -6.575 5.383 -13.905 795 H ASN 104 H ASN 104 -6.507 4.018 -7.338 796 HA ASN 104 HA ASN 104 -8.290 5.946 -6.046 797 HB2 ASN 104 HB2 ASN 104 -6.752 4.383 -4.433 798 HB3 ASN 104 HB3 ASN 104 -5.585 5.647 -4.764 799 HD21 ASN 104 HD21 ASN 104 -6.494 5.212 -2.186 800 HD22 ASN 104 HD22 ASN 104 -7.478 6.575 -1.700 801 H VAL 105 H VAL 105 -6.474 7.901 -5.432 802 HA VAL 105 HA VAL 105 -4.727 8.348 -7.785 803 HB VAL 105 HB VAL 105 -6.778 9.681 -8.069 804 HG11 VAL 105 HG11 VAL 105 -7.299 11.586 -6.639 805 HG12 VAL 105 HG12 VAL 105 -7.399 10.086 -5.711 806 HG13 VAL 105 HG13 VAL 105 -5.992 11.155 -5.522 807 HG21 VAL 105 HG21 VAL 105 -4.377 11.443 -7.474 808 HG22 VAL 105 HG22 VAL 105 -4.618 10.488 -8.957 809 HG23 VAL 105 HG23 VAL 105 -5.737 11.799 -8.551 810 H LEU 106 H LEU 106 -2.753 9.183 -7.278 811 HA LEU 106 HA LEU 106 -1.563 9.098 -4.767 812 HB2 LEU 106 HB2 LEU 106 -0.416 9.304 -6.990 813 HB3 LEU 106 HB3 LEU 106 -1.015 10.945 -7.143 814 HG LEU 106 HG LEU 106 0.385 11.516 -5.067 815 HD11 LEU 106 HD11 LEU 106 2.109 10.059 -4.363 816 HD12 LEU 106 HD12 LEU 106 1.776 8.916 -5.694 817 HD13 LEU 106 HD13 LEU 106 0.618 9.111 -4.374 818 HD21 LEU 106 HD21 LEU 106 1.710 10.550 -7.616 819 HD22 LEU 106 HD22 LEU 106 2.497 11.568 -6.389 820 HD23 LEU 106 HD23 LEU 106 1.090 12.174 -7.280 821 H THR 107 H THR 107 -1.232 10.513 -3.067 822 HA THR 107 HA THR 107 -3.062 12.693 -2.600 823 HB THR 107 HB THR 107 -0.844 13.128 -0.913 824 HG1 THR 107 HG1 THR 107 -1.406 10.384 -0.885 825 HG21 THR 107 HG21 THR 107 -3.182 13.234 -0.175 826 HG22 THR 107 HG22 THR 107 -2.332 12.018 0.803 827 HG23 THR 107 HG23 THR 107 -3.399 11.503 -0.511 828 H THR 108 H THR 108 -2.233 14.858 -1.838 829 HA THR 108 HA THR 108 -0.325 16.068 -3.824 830 HB THR 108 HB THR 108 -2.688 16.512 -4.358 831 HG1 THR 108 HG1 THR 108 -1.171 17.983 -5.021 832 HG21 THR 108 HG21 THR 108 -3.652 16.692 -2.076 833 HG22 THR 108 HG22 THR 108 -3.988 18.115 -3.070 834 HG23 THR 108 HG23 THR 108 -2.736 18.198 -1.819 835 H SER 109 H SER 109 -1.206 15.904 -0.475 836 HA SER 109 HA SER 109 0.522 18.156 0.375 837 HB2 SER 109 HB2 SER 109 -1.046 16.060 1.930 838 HB3 SER 109 HB3 SER 109 -0.068 17.335 2.672 839 HG SER 109 HG SER 109 -2.252 17.767 0.882 840 H GLU 110 H GLU 110 2.157 17.648 2.139 841 HA GLU 110 HA GLU 110 3.813 15.300 1.354 842 HB2 GLU 110 HB2 GLU 110 4.810 17.964 2.369 843 HB3 GLU 110 HB3 GLU 110 5.760 16.609 1.747 844 HG2 GLU 110 HG2 GLU 110 4.466 16.884 -0.448 845 HG3 GLU 110 HG3 GLU 110 3.877 18.418 0.184 846 H PHE 111 H PHE 111 3.686 13.757 2.806 847 HA PHE 111 HA PHE 111 3.348 14.341 5.698 848 HB2 PHE 111 HB2 PHE 111 3.083 11.683 4.256 849 HB3 PHE 111 HB3 PHE 111 2.459 12.119 5.839 850 HD1 PHE 111 HD1 PHE 111 2.025 12.491 2.188 851 HD2 PHE 111 HD2 PHE 111 0.303 13.300 6.042 852 HE1 PHE 111 HE1 PHE 111 -0.089 13.113 1.099 853 HE2 PHE 111 HE2 PHE 111 -1.856 13.862 4.958 854 HZ PHE 111 HZ PHE 111 -2.048 13.778 2.457 855 H TYR 112 H TYR 112 4.506 12.777 7.215 856 HA TYR 112 HA TYR 112 7.362 12.721 6.550 857 HB2 TYR 112 HB2 TYR 112 5.700 12.414 8.985 858 HB3 TYR 112 HB3 TYR 112 7.127 11.385 8.923 859 HD1 TYR 112 HD2 TYR 112 6.097 14.967 8.427 860 HD2 TYR 112 HD1 TYR 112 9.210 12.205 9.553 861 HE1 TYR 112 HE2 TYR 112 7.553 16.883 9.122 862 HE2 TYR 112 HE1 TYR 112 10.652 14.113 10.263 863 HH TYR 112 HH TYR 112 10.832 16.377 10.475 864 H LEU 113 H LEU 113 8.009 11.292 5.159 865 HA LEU 113 HA LEU 113 6.950 8.517 5.158 866 HB2 LEU 113 HB2 LEU 113 7.994 10.341 3.111 867 HB3 LEU 113 HB3 LEU 113 8.755 8.764 3.042 868 HG LEU 113 HG LEU 113 6.804 8.929 1.606 869 HD11 LEU 113 HD11 LEU 113 6.285 6.924 3.806 870 HD12 LEU 113 HD12 LEU 113 7.490 6.756 2.509 871 HD13 LEU 113 HD13 LEU 113 5.765 6.847 2.115 872 HD21 LEU 113 HD21 LEU 113 5.423 10.457 3.022 873 HD22 LEU 113 HD22 LEU 113 5.049 9.080 4.079 874 HD23 LEU 113 HD23 LEU 113 4.543 9.059 2.377 875 H SER 114 H SER 114 7.965 6.936 6.044 876 HA SER 114 HA SER 114 10.866 7.172 6.771 877 HB2 SER 114 HB2 SER 114 9.568 7.656 8.715 878 HB3 SER 114 HB3 SER 114 8.553 6.244 8.470 879 HG SER 114 HG SER 114 10.039 5.589 9.937 880 H ASP 115 H ASP 115 11.614 5.974 5.083 881 HA ASP 115 HA ASP 115 10.738 3.164 4.708 882 HB2 ASP 115 HB2 ASP 115 12.984 4.800 3.486 883 HB3 ASP 115 HB3 ASP 115 12.560 3.158 3.012 884 H CYS 116 H CYS 116 12.232 1.424 4.943 885 HA CYS 116 HA CYS 116 14.939 1.924 5.954 886 HB2 CYS 116 HB2 CYS 116 12.871 0.967 7.772 887 HB3 CYS 116 HB3 CYS 116 14.145 -0.229 7.608 888 H ASN 117 H ASN 117 16.118 0.893 4.467 889 HA ASN 117 HA ASN 117 15.115 -1.621 3.187 890 HB2 ASN 117 HB2 ASN 117 17.138 0.506 2.398 891 HB3 ASN 117 HB3 ASN 117 17.102 -1.077 1.626 892 HD21 ASN 117 HD21 ASN 117 15.045 1.825 2.231 893 HD22 ASN 117 HD22 ASN 117 14.127 1.574 0.753 894 H VAL 118 H VAL 118 16.030 -3.514 3.602 895 HA VAL 118 HA VAL 118 17.896 -3.990 5.691 896 HB VAL 118 HB VAL 118 16.840 -5.647 3.406 897 HG11 VAL 118 HG11 VAL 118 18.733 -6.688 5.559 898 HG12 VAL 118 HG12 VAL 118 17.763 -7.697 4.467 899 HG13 VAL 118 HG13 VAL 118 19.035 -6.682 3.800 900 HG21 VAL 118 HG21 VAL 118 15.711 -6.866 5.228 901 HG22 VAL 118 HG22 VAL 118 16.520 -5.836 6.423 902 HG23 VAL 118 HG23 VAL 118 15.346 -5.140 5.282 903 H THR 119 H THR 119 20.010 -4.660 5.765 904 HA THR 119 HA THR 119 21.754 -4.063 3.396 905 HB THR 119 HB THR 119 23.470 -3.231 4.906 906 HG1 THR 119 HG1 THR 119 22.698 -4.326 6.780 907 HG21 THR 119 HG21 THR 119 21.892 -1.626 3.905 908 HG22 THR 119 HG22 THR 119 22.409 -1.117 5.534 909 HG23 THR 119 HG23 THR 119 20.806 -1.840 5.300 910 H SER 120 H SER 120 22.221 -5.933 2.643 911 HA SER 120 HA SER 120 22.827 -8.144 2.374 912 HB2 SER 120 HB2 SER 120 25.035 -7.073 4.147 913 HB3 SER 120 HB3 SER 120 25.158 -8.527 3.135 914 HG SER 120 HG SER 120 24.792 -7.225 1.290 Start of MODEL 17 1 H1 ARG 1 H1 ARG 1 15.522 -6.945 18.011 2 H2 ARG 1 H2 ARG 1 16.817 -7.608 18.765 3 H3 ARG 1 H3 ARG 1 16.489 -6.008 18.921 4 HA ARG 1 HA ARG 1 16.996 -5.567 16.624 5 HB2 ARG 1 HB2 ARG 1 19.211 -7.154 17.974 6 HB3 ARG 1 HB3 ARG 1 19.400 -6.051 16.603 7 HG2 ARG 1 HG2 ARG 1 18.573 -4.162 18.009 8 HG3 ARG 1 HG3 ARG 1 18.402 -5.262 19.383 9 HD2 ARG 1 HD2 ARG 1 20.826 -5.760 19.285 10 HD3 ARG 1 HD3 ARG 1 21.006 -4.559 17.988 11 HE ARG 1 HE ARG 1 19.783 -3.071 19.890 12 HH11 ARG 1 HH11 ARG 1 22.598 -5.108 20.215 13 HH12 ARG 1 HH12 ARG 1 23.205 -4.203 21.578 14 HH21 ARG 1 HH21 ARG 1 20.582 -1.974 21.618 15 HH22 ARG 1 HH22 ARG 1 22.085 -2.467 22.337 16 HA PRO 2 HA PRO 2 15.761 -9.631 14.957 17 HB2 PRO 2 HB2 PRO 2 13.908 -8.890 13.102 18 HB3 PRO 2 HB3 PRO 2 13.589 -8.887 14.855 19 HG2 PRO 2 HG2 PRO 2 14.351 -6.522 13.118 20 HG3 PRO 2 HG3 PRO 2 13.032 -6.641 14.320 21 HD2 PRO 2 HD2 PRO 2 15.450 -5.521 14.924 22 HD3 PRO 2 HD3 PRO 2 14.507 -6.458 16.118 23 H CYS 3 H CYS 3 16.441 -6.863 12.884 24 HA CYS 3 HA CYS 3 18.191 -8.399 11.064 25 HB2 CYS 3 HB2 CYS 3 16.429 -6.542 9.620 26 HB3 CYS 3 HB3 CYS 3 16.910 -8.165 9.195 27 H LYS 4 H LYS 4 19.137 -6.681 9.408 28 HA LYS 4 HA LYS 4 19.752 -4.097 10.814 29 HB2 LYS 4 HB2 LYS 4 21.441 -5.709 8.885 30 HB3 LYS 4 HB3 LYS 4 21.919 -4.175 9.596 31 HG2 LYS 4 HG2 LYS 4 21.407 -6.714 11.237 32 HG3 LYS 4 HG3 LYS 4 22.952 -6.260 10.556 33 HD2 LYS 4 HD2 LYS 4 23.124 -5.542 12.749 34 HD3 LYS 4 HD3 LYS 4 22.784 -4.056 11.858 35 HE2 LYS 4 HE2 LYS 4 20.369 -4.258 12.556 36 HE3 LYS 4 HE3 LYS 4 20.761 -5.729 13.437 37 HZ1 LYS 4 HZ1 LYS 4 20.682 -3.734 14.841 38 HZ2 LYS 4 HZ2 LYS 4 21.906 -3.048 14.008 39 HZ3 LYS 4 HZ3 LYS 4 22.192 -4.405 14.878 40 H TYR 5 H TYR 5 19.347 -2.281 9.830 41 HA TYR 5 HA TYR 5 18.609 -2.205 6.937 42 HB2 TYR 5 HB2 TYR 5 17.058 -0.953 9.234 43 HB3 TYR 5 HB3 TYR 5 16.684 -0.774 7.537 44 HD1 TYR 5 HD2 TYR 5 16.554 -3.088 10.430 45 HD2 TYR 5 HD1 TYR 5 15.527 -2.547 6.273 46 HE1 TYR 5 HE2 TYR 5 14.797 -4.862 10.613 47 HE2 TYR 5 HE1 TYR 5 13.724 -4.218 6.498 48 HH TYR 5 HH TYR 5 13.009 -5.948 7.735 49 H LYS 6 H LYS 6 18.597 -0.146 6.017 50 HA LYS 6 HA LYS 6 20.671 1.720 6.993 51 HB2 LYS 6 HB2 LYS 6 19.054 1.539 4.418 52 HB3 LYS 6 HB3 LYS 6 20.388 2.670 4.689 53 HG2 LYS 6 HG2 LYS 6 22.028 1.003 4.598 54 HG3 LYS 6 HG3 LYS 6 20.932 -0.273 5.116 55 HD2 LYS 6 HD2 LYS 6 21.486 -0.651 2.828 56 HD3 LYS 6 HD3 LYS 6 19.770 -0.260 2.980 57 HE2 LYS 6 HE2 LYS 6 20.229 2.065 2.223 58 HE3 LYS 6 HE3 LYS 6 21.965 1.735 2.205 59 HZ1 LYS 6 HZ1 LYS 6 19.975 0.395 0.447 60 HZ2 LYS 6 HZ2 LYS 6 21.585 0.107 0.439 61 HZ3 LYS 6 HZ3 LYS 6 21.015 1.563 -0.020 62 H LEU 7 H LEU 7 20.410 3.960 6.973 63 HA LEU 7 HA LEU 7 17.850 4.908 8.100 64 HB2 LEU 7 HB2 LEU 7 20.623 5.477 8.581 65 HB3 LEU 7 HB3 LEU 7 19.928 6.950 7.958 66 HG LEU 7 HG LEU 7 19.874 6.947 10.353 67 HD11 LEU 7 HD11 LEU 7 17.552 7.456 10.796 68 HD12 LEU 7 HD12 LEU 7 17.021 6.559 9.361 69 HD13 LEU 7 HD13 LEU 7 17.985 8.045 9.183 70 HD21 LEU 7 HD21 LEU 7 19.826 4.504 10.735 71 HD22 LEU 7 HD22 LEU 7 18.112 4.463 10.266 72 HD23 LEU 7 HD23 LEU 7 18.621 5.371 11.702 73 H LYS 8 H LYS 8 16.356 5.416 6.714 74 HA LYS 8 HA LYS 8 16.899 7.478 4.630 75 HB2 LYS 8 HB2 LYS 8 16.874 5.272 3.546 76 HB3 LYS 8 HB3 LYS 8 15.314 4.909 4.270 77 HG2 LYS 8 HG2 LYS 8 14.987 5.520 1.966 78 HG3 LYS 8 HG3 LYS 8 14.294 6.797 2.966 79 HD2 LYS 8 HD2 LYS 8 16.291 8.213 2.560 80 HD3 LYS 8 HD3 LYS 8 17.022 6.904 1.602 81 HE2 LYS 8 HE2 LYS 8 15.081 6.994 0.039 82 HE3 LYS 8 HE3 LYS 8 14.372 8.301 0.995 83 HZ1 LYS 8 HZ1 LYS 8 16.980 8.455 -0.426 84 HZ2 LYS 8 HZ2 LYS 8 16.316 9.666 0.453 85 HZ3 LYS 8 HZ3 LYS 8 15.593 9.160 -0.918 86 H LYS 9 H LYS 9 15.821 9.177 5.166 87 HA LYS 9 HA LYS 9 12.945 9.048 6.007 88 HB2 LYS 9 HB2 LYS 9 15.044 10.906 7.207 89 HB3 LYS 9 HB3 LYS 9 13.333 10.871 7.624 90 HG2 LYS 9 HG2 LYS 9 15.296 8.581 8.098 91 HG3 LYS 9 HG3 LYS 9 14.844 9.772 9.301 92 HD2 LYS 9 HD2 LYS 9 12.674 8.954 9.561 93 HD3 LYS 9 HD3 LYS 9 12.643 8.170 7.987 94 HE2 LYS 9 HE2 LYS 9 14.817 7.081 9.602 95 HE3 LYS 9 HE3 LYS 9 13.306 7.007 10.506 96 HZ1 LYS 9 HZ1 LYS 9 12.295 5.775 8.731 97 HZ2 LYS 9 HZ2 LYS 9 13.701 5.024 9.066 98 HZ3 LYS 9 HZ3 LYS 9 13.580 5.952 7.725 99 H SER 10 H SER 10 11.626 10.360 5.000 100 HA SER 10 HA SER 10 12.566 12.576 3.249 101 HB2 SER 10 HB2 SER 10 11.016 10.120 2.306 102 HB3 SER 10 HB3 SER 10 11.325 11.564 1.329 103 HG SER 10 HG SER 10 13.584 11.147 1.571 104 H THR 11 H THR 11 10.435 13.470 2.022 105 HA THR 11 HA THR 11 8.053 13.295 3.736 106 HB THR 11 HB THR 11 9.144 16.059 3.138 107 HG1 THR 11 HG1 THR 11 9.604 14.375 5.348 108 HG21 THR 11 HG21 THR 11 6.684 15.638 3.653 109 HG22 THR 11 HG22 THR 11 7.511 16.729 4.791 110 HG23 THR 11 HG23 THR 11 7.191 15.039 5.242 111 H ASN 12 H ASN 12 6.594 12.705 2.255 112 HA ASN 12 HA ASN 12 5.822 14.384 0.121 113 HB2 ASN 12 HB2 ASN 12 6.454 13.308 -1.860 114 HB3 ASN 12 HB3 ASN 12 7.912 13.481 -0.953 115 HD21 ASN 12 HD21 ASN 12 7.694 11.063 0.744 116 HD22 ASN 12 HD22 ASN 12 7.946 9.799 -0.446 117 H LYS 13 H LYS 13 4.247 13.279 -1.419 118 HA LYS 13 HA LYS 13 2.041 12.002 -0.075 119 HB2 LYS 13 HB2 LYS 13 1.246 11.768 -2.530 120 HB3 LYS 13 HB3 LYS 13 1.409 13.356 -1.830 121 HG2 LYS 13 HG2 LYS 13 3.769 12.324 -3.352 122 HG3 LYS 13 HG3 LYS 13 2.301 12.666 -4.271 123 HD2 LYS 13 HD2 LYS 13 2.155 14.926 -3.436 124 HD3 LYS 13 HD3 LYS 13 3.551 14.703 -2.382 125 HE2 LYS 13 HE2 LYS 13 4.965 14.232 -4.424 126 HE3 LYS 13 HE3 LYS 13 3.560 14.601 -5.431 127 HZ1 LYS 13 HZ1 LYS 13 4.902 16.502 -3.569 128 HZ2 LYS 13 HZ2 LYS 13 3.553 16.849 -4.429 129 HZ3 LYS 13 HZ3 LYS 13 4.963 16.551 -5.195 130 H PHE 14 H PHE 14 0.952 10.107 -1.049 131 HA PHE 14 HA PHE 14 2.764 7.858 -1.716 132 HB2 PHE 14 HB2 PHE 14 1.586 6.470 0.073 133 HB3 PHE 14 HB3 PHE 14 2.739 7.664 0.641 134 HD1 PHE 14 HD1 PHE 14 -0.934 6.988 0.270 135 HD2 PHE 14 HD2 PHE 14 2.096 9.456 2.096 136 HE1 PHE 14 HE1 PHE 14 -2.670 8.119 1.631 137 HE2 PHE 14 HE2 PHE 14 0.355 10.551 3.477 138 HZ PHE 14 HZ PHE 14 -2.031 9.970 3.184 139 H CYS 15 H CYS 15 1.884 6.249 -2.906 140 HA CYS 15 HA CYS 15 -0.903 6.685 -3.893 141 HB2 CYS 15 HB2 CYS 15 0.933 6.629 -5.578 142 HB3 CYS 15 HB3 CYS 15 1.255 4.959 -5.146 143 H VAL 16 H VAL 16 -2.329 5.125 -3.925 144 HA VAL 16 HA VAL 16 -1.972 2.480 -2.605 145 HB VAL 16 HB VAL 16 -3.876 2.914 -1.050 146 HG11 VAL 16 HG11 VAL 16 -2.640 4.127 0.669 147 HG12 VAL 16 HG12 VAL 16 -1.622 2.929 -0.149 148 HG13 VAL 16 HG13 VAL 16 -1.440 4.656 -0.519 149 HG21 VAL 16 HG21 VAL 16 -4.614 5.093 -0.482 150 HG22 VAL 16 HG22 VAL 16 -3.362 5.877 -1.471 151 HG23 VAL 16 HG23 VAL 16 -4.677 4.997 -2.258 152 H THR 17 H THR 17 -4.311 1.374 -2.478 153 HA THR 17 HA THR 17 -5.917 2.154 -4.914 154 HB THR 17 HB THR 17 -5.703 -0.672 -3.939 155 HG1 THR 17 HG1 THR 17 -4.087 0.587 -5.913 156 HG21 THR 17 HG21 THR 17 -6.278 -1.262 -6.201 157 HG22 THR 17 HG22 THR 17 -6.270 0.442 -6.682 158 HG23 THR 17 HG23 THR 17 -7.491 -0.164 -5.523 159 H CYS 18 H CYS 18 -8.024 2.709 -4.453 160 HA CYS 18 HA CYS 18 -9.192 1.938 -1.844 161 HB2 CYS 18 HB2 CYS 18 -9.733 4.132 -3.802 162 HB3 CYS 18 HB3 CYS 18 -11.108 3.416 -2.972 163 H GLU 19 H GLU 19 -10.712 0.511 -1.618 164 HA GLU 19 HA GLU 19 -12.284 -0.455 -3.934 165 HB2 GLU 19 HB2 GLU 19 -10.271 -1.956 -3.536 166 HB3 GLU 19 HB3 GLU 19 -10.964 -2.361 -1.960 167 HG2 GLU 19 HG2 GLU 19 -13.063 -3.106 -3.137 168 HG3 GLU 19 HG3 GLU 19 -12.286 -2.773 -4.683 169 H ASN 20 H ASN 20 -14.268 0.022 -3.371 170 HA ASN 20 HA ASN 20 -16.160 0.494 -2.217 171 HB2 ASN 20 HB2 ASN 20 -15.192 -1.694 -0.346 172 HB3 ASN 20 HB3 ASN 20 -16.730 -0.866 -0.178 173 HD21 ASN 20 HD21 ASN 20 -14.862 -2.691 -2.707 174 HD22 ASN 20 HD22 ASN 20 -16.330 -3.415 -3.357 175 H GLN 21 H GLN 21 -14.483 2.374 -2.113 176 HA GLN 21 HA GLN 21 -14.189 4.434 -1.237 177 HB2 GLN 21 HB2 GLN 21 -16.247 3.696 0.867 178 HB3 GLN 21 HB3 GLN 21 -15.764 5.304 0.335 179 HG2 GLN 21 HG2 GLN 21 -17.598 5.179 -0.971 180 HG3 GLN 21 HG3 GLN 21 -16.537 4.277 -2.053 181 HE21 GLN 21 HE21 GLN 21 -17.680 2.518 -2.855 182 HE22 GLN 21 HE22 GLN 21 -18.825 1.604 -1.872 183 H ALA 22 H ALA 22 -12.364 2.348 -0.206 184 HA ALA 22 HA ALA 22 -11.188 3.789 1.993 185 HB1 ALA 22 HB1 ALA 22 -11.289 1.888 3.563 186 HB2 ALA 22 HB2 ALA 22 -12.915 2.441 3.156 187 HB3 ALA 22 HB3 ALA 22 -12.280 0.967 2.394 188 HA PRO 23 HA PRO 23 -7.869 1.882 -0.332 189 HB2 PRO 23 HB2 PRO 23 -5.728 3.020 0.833 190 HB3 PRO 23 HB3 PRO 23 -6.946 3.924 -0.147 191 HG2 PRO 23 HG2 PRO 23 -6.868 3.680 2.874 192 HG3 PRO 23 HG3 PRO 23 -6.951 5.169 1.891 193 HD2 PRO 23 HD2 PRO 23 -9.185 3.926 2.908 194 HD3 PRO 23 HD3 PRO 23 -9.195 4.776 1.335 195 H VAL 24 H VAL 24 -7.810 -0.254 -0.085 196 HA VAL 24 HA VAL 24 -6.907 -1.463 2.482 197 HB VAL 24 HB VAL 24 -7.926 -3.495 1.827 198 HG11 VAL 24 HG11 VAL 24 -10.012 -1.468 0.982 199 HG12 VAL 24 HG12 VAL 24 -10.190 -2.957 1.942 200 HG13 VAL 24 HG13 VAL 24 -9.406 -1.527 2.630 201 HG21 VAL 24 HG21 VAL 24 -7.483 -3.522 -0.612 202 HG22 VAL 24 HG22 VAL 24 -9.173 -3.848 -0.232 203 HG23 VAL 24 HG23 VAL 24 -8.694 -2.246 -0.850 204 H HIS 25 H HIS 25 -5.161 -0.244 0.167 205 HA HIS 25 HA HIS 25 -3.260 -2.520 -0.073 206 HB2 HIS 25 HB2 HIS 25 -5.069 -2.715 -1.886 207 HB3 HIS 25 HB3 HIS 25 -4.558 -1.138 -2.421 208 HD1 HIS 25 HD1 HIS 25 -3.110 -1.343 -4.529 209 HD2 HIS 25 HD2 HIS 25 -2.606 -4.474 -1.732 210 HE1 HIS 25 HE1 HIS 25 -1.245 -2.878 -5.464 211 HE2 HIS 25 HE2 HIS 25 -0.934 -4.767 -3.767 212 H PHE 26 H PHE 26 -1.161 -1.835 -0.430 213 HA PHE 26 HA PHE 26 -0.672 1.085 -0.794 214 HB2 PHE 26 HB2 PHE 26 0.401 -0.012 1.163 215 HB3 PHE 26 HB3 PHE 26 1.167 -1.174 0.095 216 HD1 PHE 26 HD2 PHE 26 0.824 2.608 0.281 217 HD2 PHE 26 HD1 PHE 26 3.453 -0.782 -0.248 218 HE1 PHE 26 HE2 PHE 26 2.738 4.134 0.004 219 HE2 PHE 26 HE1 PHE 26 5.373 0.757 -0.505 220 HZ PHE 26 HZ PHE 26 5.022 3.221 -0.391 221 H VAL 27 H VAL 27 0.387 1.895 -2.525 222 HA VAL 27 HA VAL 27 1.243 -0.009 -4.698 223 HB VAL 27 HB VAL 27 0.308 2.855 -4.924 224 HG11 VAL 27 HG11 VAL 27 2.024 2.472 -6.598 225 HG12 VAL 27 HG12 VAL 27 1.279 0.922 -7.057 226 HG13 VAL 27 HG13 VAL 27 0.440 2.453 -7.383 227 HG21 VAL 27 HG21 VAL 27 -0.943 0.292 -5.977 228 HG22 VAL 27 HG22 VAL 27 -1.532 1.208 -4.573 229 HG23 VAL 27 HG23 VAL 27 -1.566 1.947 -6.175 230 H GLY 28 H GLY 28 2.176 3.249 -3.358 231 HA2 GLY 28 HA2 GLY 28 4.945 2.644 -3.133 232 HA3 GLY 28 HA3 GLY 28 4.649 3.350 -4.730 233 H VAL 29 H VAL 29 6.221 4.907 -3.637 234 HA VAL 29 HA VAL 29 4.713 7.054 -2.200 235 HB VAL 29 HB VAL 29 6.606 5.822 -0.935 236 HG11 VAL 29 HG11 VAL 29 8.360 6.040 -2.722 237 HG12 VAL 29 HG12 VAL 29 8.346 7.799 -2.453 238 HG13 VAL 29 HG13 VAL 29 8.828 6.701 -1.148 239 HG21 VAL 29 HG21 VAL 29 7.204 7.916 0.189 240 HG22 VAL 29 HG22 VAL 29 6.331 8.796 -1.096 241 HG23 VAL 29 HG23 VAL 29 5.460 7.675 -0.040 242 H GLY 30 H GLY 30 4.887 9.177 -2.911 243 HA2 GLY 30 HA2 GLY 30 5.035 10.841 -4.459 244 HA3 GLY 30 HA3 GLY 30 6.644 10.225 -4.773 245 H SER 31 H SER 31 4.377 7.871 -5.659 246 HA SER 31 HA SER 31 3.733 8.647 -8.372 247 HB2 SER 31 HB2 SER 31 6.223 8.257 -8.513 248 HB3 SER 31 HB3 SER 31 5.955 6.597 -7.951 249 HG SER 31 HG SER 31 6.060 6.792 -10.260 250 H CYS 32 H CYS 32 2.657 6.886 -9.501 251 HA CYS 32 HA CYS 32 1.651 4.637 -7.803 252 HB2 CYS 32 HB2 CYS 32 0.324 6.140 -10.077 253 HB3 CYS 32 HB3 CYS 32 -0.276 4.636 -9.402 254 H GLY 33 H GLY 33 3.028 2.995 -8.300 255 HA2 GLY 33 HA2 GLY 33 3.850 2.333 -11.049 256 HA3 GLY 33 HA3 GLY 33 4.138 1.381 -9.591 257 H SER 34 H SER 34 3.276 0.328 -12.098 258 HA SER 34 HA SER 34 0.987 -1.254 -11.169 259 HB2 SER 34 HB2 SER 34 0.041 0.720 -12.448 260 HB3 SER 34 HB3 SER 34 0.889 0.118 -13.882 261 HG SER 34 HG SER 34 -1.144 -0.762 -13.959 262 H GLY 35 H GLY 35 0.508 -2.967 -12.921 263 HA2 GLY 35 HA2 GLY 35 2.675 -3.809 -14.669 264 HA3 GLY 35 HA3 GLY 35 2.517 -4.845 -13.244 265 H GLY 36 H GLY 36 2.241 -6.038 -15.549 266 HA2 GLY 36 HA2 GLY 36 -0.685 -6.477 -16.086 267 HA3 GLY 36 HA3 GLY 36 0.563 -6.497 -17.326 268 H SER 37 H SER 37 1.273 -7.963 -14.264 269 HA SER 37 HA SER 37 1.044 -10.729 -15.415 270 HB2 SER 37 HB2 SER 37 3.364 -9.563 -13.823 271 HB3 SER 37 HB3 SER 37 3.239 -11.231 -14.404 272 HG SER 37 HG SER 37 3.220 -10.406 -16.555 273 H GLY 38 H GLY 38 1.145 -12.460 -13.834 274 HA2 GLY 38 HA2 GLY 38 -0.763 -12.082 -11.707 275 HA3 GLY 38 HA3 GLY 38 0.014 -13.585 -12.189 276 H ILE 39 H ILE 39 1.837 -10.780 -11.127 277 HA ILE 39 HA ILE 39 3.384 -12.291 -9.201 278 HB ILE 39 HB ILE 39 3.221 -9.297 -9.668 279 HG12 ILE 39 HG12 ILE 39 5.242 -11.314 -10.777 280 HG13 ILE 39 HG13 ILE 39 3.892 -10.674 -11.703 281 HG21 ILE 39 HG21 ILE 39 5.389 -10.932 -8.278 282 HG22 ILE 39 HG22 ILE 39 5.461 -9.191 -8.605 283 HG23 ILE 39 HG23 ILE 39 4.263 -9.793 -7.487 284 HD11 ILE 39 HD11 ILE 39 4.796 -8.360 -11.419 285 HD12 ILE 39 HD12 ILE 39 6.257 -9.073 -10.688 286 HD13 ILE 39 HD13 ILE 39 5.824 -9.462 -12.357 287 H PHE 40 H PHE 40 3.272 -12.362 -7.059 288 HA PHE 40 HA PHE 40 1.212 -10.860 -5.515 289 HB2 PHE 40 HB2 PHE 40 0.465 -13.179 -6.587 290 HB3 PHE 40 HB3 PHE 40 1.301 -13.855 -5.206 291 HD1 PHE 40 HD2 PHE 40 -1.522 -11.765 -6.376 292 HD2 PHE 40 HD1 PHE 40 0.332 -13.569 -2.925 293 HE1 PHE 40 HE2 PHE 40 -3.588 -11.362 -5.057 294 HE2 PHE 40 HE1 PHE 40 -1.731 -13.143 -1.600 295 HZ PHE 40 HZ PHE 40 -3.692 -12.043 -2.664 296 H LEU 41 H LEU 41 4.292 -11.100 -5.526 297 HA LEU 41 HA LEU 41 5.056 -12.434 -3.093 298 HB2 LEU 41 HB2 LEU 41 6.363 -10.429 -4.971 299 HB3 LEU 41 HB3 LEU 41 7.124 -10.773 -3.438 300 HG LEU 41 HG LEU 41 8.109 -12.048 -5.252 301 HD11 LEU 41 HD11 LEU 41 6.704 -13.892 -3.285 302 HD12 LEU 41 HD12 LEU 41 8.151 -12.920 -2.930 303 HD13 LEU 41 HD13 LEU 41 8.217 -14.196 -4.158 304 HD21 LEU 41 HD21 LEU 41 5.500 -13.598 -5.451 305 HD22 LEU 41 HD22 LEU 41 7.012 -13.921 -6.319 306 HD23 LEU 41 HD23 LEU 41 6.113 -12.437 -6.657 307 H GLU 42 H GLU 42 3.786 -9.287 -3.636 308 HA GLU 42 HA GLU 42 4.438 -7.996 -1.129 309 HB2 GLU 42 HB2 GLU 42 2.611 -6.452 -1.802 310 HB3 GLU 42 HB3 GLU 42 3.784 -6.731 -3.090 311 HG2 GLU 42 HG2 GLU 42 2.174 -8.437 -4.094 312 HG3 GLU 42 HG3 GLU 42 1.019 -7.982 -2.842 313 H THR 43 H THR 43 2.753 -7.355 0.498 314 HA THR 43 HA THR 43 1.482 -9.531 1.779 315 HB THR 43 HB THR 43 0.770 -6.585 1.996 316 HG1 THR 43 HG1 THR 43 2.745 -8.092 3.356 317 HG21 THR 43 HG21 THR 43 0.284 -7.168 4.388 318 HG22 THR 43 HG22 THR 43 0.499 -8.884 3.983 319 HG23 THR 43 HG23 THR 43 -0.822 -7.945 3.249 320 H SER 44 H SER 44 0.236 -7.349 -0.665 321 HA SER 44 HA SER 44 -1.796 -6.949 -1.597 322 HB2 SER 44 HB2 SER 44 -0.930 -9.087 -2.636 323 HB3 SER 44 HB3 SER 44 -2.121 -9.950 -1.651 324 HG SER 44 HG SER 44 -2.895 -9.332 -3.761 325 H LEU 45 H LEU 45 -2.332 -6.136 0.670 326 HA LEU 45 HA LEU 45 -4.222 -7.405 2.343 327 HB2 LEU 45 HB2 LEU 45 -3.634 -4.477 1.787 328 HB3 LEU 45 HB3 LEU 45 -4.869 -4.962 2.932 329 HG LEU 45 HG LEU 45 -2.757 -6.457 3.861 330 HD11 LEU 45 HD11 LEU 45 -0.734 -5.040 3.812 331 HD12 LEU 45 HD12 LEU 45 -1.544 -3.871 2.757 332 HD13 LEU 45 HD13 LEU 45 -1.182 -5.501 2.164 333 HD21 LEU 45 HD21 LEU 45 -4.141 -4.885 5.185 334 HD22 LEU 45 HD22 LEU 45 -3.286 -3.526 4.434 335 HD23 LEU 45 HD23 LEU 45 -2.420 -4.647 5.516 336 H SER 46 H SER 46 -4.787 -6.179 -0.808 337 HA SER 46 HA SER 46 -7.573 -5.724 -0.877 338 HB2 SER 46 HB2 SER 46 -5.892 -7.116 -2.990 339 HB3 SER 46 HB3 SER 46 -7.418 -6.246 -3.238 340 HG SER 46 HG SER 46 -5.586 -4.971 -3.773 341 H ALA 47 H ALA 47 -5.889 -8.772 -0.451 342 HA ALA 47 HA ALA 47 -8.502 -10.192 -0.329 343 HB1 ALA 47 HB1 ALA 47 -6.042 -11.200 -1.802 344 HB2 ALA 47 HB2 ALA 47 -7.535 -12.118 -1.488 345 HB3 ALA 47 HB3 ALA 47 -7.582 -10.683 -2.534 346 H GLY 48 H GLY 48 -8.693 -10.673 1.696 347 HA2 GLY 48 HA2 GLY 48 -8.263 -12.108 3.563 348 HA3 GLY 48 HA3 GLY 48 -6.547 -12.113 3.193 349 H SER 49 H SER 49 -7.431 -8.895 2.986 350 HA SER 49 HA SER 49 -7.404 -8.315 5.891 351 HB2 SER 49 HB2 SER 49 -5.577 -6.847 3.985 352 HB3 SER 49 HB3 SER 49 -5.663 -6.685 5.730 353 HG SER 49 HG SER 49 -4.953 -8.934 5.829 354 H ASP 50 H ASP 50 -7.251 -5.477 5.645 355 HA ASP 50 HA ASP 50 -9.319 -4.532 3.903 356 HB2 ASP 50 HB2 ASP 50 -10.348 -5.807 6.068 357 HB3 ASP 50 HB3 ASP 50 -9.982 -4.273 6.841 358 H TRP 51 H TRP 51 -9.780 -2.245 4.598 359 HA TRP 51 HA TRP 51 -7.490 -0.542 4.861 360 HB2 TRP 51 HB2 TRP 51 -9.197 0.570 3.901 361 HB3 TRP 51 HB3 TRP 51 -10.440 -0.256 4.809 362 HD1 TRP 51 HD1 TRP 51 -11.526 0.997 6.741 363 HE1 TRP 51 HE1 TRP 51 -11.144 3.251 7.933 364 HE3 TRP 51 HE3 TRP 51 -6.988 2.217 4.740 365 HZ2 TRP 51 HZ2 TRP 51 -9.138 5.317 7.982 366 HZ3 TRP 51 HZ3 TRP 51 -5.838 4.317 5.395 367 HH2 TRP 51 HH2 TRP 51 -6.908 5.889 6.983 368 H LEU 52 H LEU 52 -9.733 -1.827 7.269 369 HA LEU 52 HA LEU 52 -8.972 -0.267 9.494 370 HB2 LEU 52 HB2 LEU 52 -10.859 -2.210 8.968 371 HB3 LEU 52 HB3 LEU 52 -9.769 -3.101 10.006 372 HG LEU 52 HG LEU 52 -11.587 -2.170 11.269 373 HD11 LEU 52 HD11 LEU 52 -9.148 -0.488 11.932 374 HD12 LEU 52 HD12 LEU 52 -9.357 -2.205 12.380 375 HD13 LEU 52 HD13 LEU 52 -10.459 -0.972 13.027 376 HD21 LEU 52 HD21 LEU 52 -10.751 0.623 10.396 377 HD22 LEU 52 HD22 LEU 52 -12.072 0.185 11.493 378 HD23 LEU 52 HD23 LEU 52 -12.158 -0.277 9.786 379 H THR 53 H THR 53 -7.495 -3.268 8.250 380 HA THR 53 HA THR 53 -5.394 -3.204 10.340 381 HB THR 53 HB THR 53 -4.620 -5.303 9.189 382 HG1 THR 53 HG1 THR 53 -6.284 -6.314 7.947 383 HG21 THR 53 HG21 THR 53 -6.029 -5.330 11.235 384 HG22 THR 53 HG22 THR 53 -6.380 -6.698 10.166 385 HG23 THR 53 HG23 THR 53 -7.491 -5.312 10.222 386 H PHE 54 H PHE 54 -5.759 -2.403 6.912 387 HA PHE 54 HA PHE 54 -3.091 -2.160 6.087 388 HB2 PHE 54 HB2 PHE 54 -4.962 -1.797 4.580 389 HB3 PHE 54 HB3 PHE 54 -5.532 -0.458 5.557 390 HD1 PHE 54 HD2 PHE 54 -2.975 -1.456 3.087 391 HD2 PHE 54 HD1 PHE 54 -4.678 1.766 5.393 392 HE1 PHE 54 HE2 PHE 54 -1.730 0.207 1.727 393 HE2 PHE 54 HE1 PHE 54 -3.447 3.420 3.999 394 HZ PHE 54 HZ PHE 54 -1.952 2.634 2.192 395 H GLN 55 H GLN 55 -4.928 0.175 8.005 396 HA GLN 55 HA GLN 55 -2.923 2.180 8.324 397 HB2 GLN 55 HB2 GLN 55 -5.127 1.212 10.180 398 HB3 GLN 55 HB3 GLN 55 -4.141 2.642 10.514 399 HG2 GLN 55 HG2 GLN 55 -5.044 3.865 8.719 400 HG3 GLN 55 HG3 GLN 55 -5.601 2.418 7.870 401 HE21 GLN 55 HE21 GLN 55 -7.533 1.401 8.457 402 HE22 GLN 55 HE22 GLN 55 -8.658 2.205 9.540 403 H LYS 56 H LYS 56 -3.740 -0.436 10.605 404 HA LYS 56 HA LYS 56 -1.411 -0.160 12.273 405 HB2 LYS 56 HB2 LYS 56 -3.212 -2.579 11.802 406 HB3 LYS 56 HB3 LYS 56 -1.843 -2.594 12.902 407 HG2 LYS 56 HG2 LYS 56 -3.496 -2.112 14.370 408 HG3 LYS 56 HG3 LYS 56 -2.908 -0.491 14.009 409 HD2 LYS 56 HD2 LYS 56 -4.829 -0.179 12.429 410 HD3 LYS 56 HD3 LYS 56 -5.363 -1.840 12.787 411 HE2 LYS 56 HE2 LYS 56 -5.531 -1.198 15.215 412 HE3 LYS 56 HE3 LYS 56 -5.122 0.464 14.775 413 HZ1 LYS 56 HZ1 LYS 56 -7.131 0.500 13.376 414 HZ2 LYS 56 HZ2 LYS 56 -7.522 0.166 14.929 415 HZ3 LYS 56 HZ3 LYS 56 -7.504 -1.032 13.817 416 H LYS 57 H LYS 57 -1.672 -1.806 9.210 417 HA LYS 57 HA LYS 57 0.688 -3.389 9.395 418 HB2 LYS 57 HB2 LYS 57 -1.236 -3.616 7.786 419 HB3 LYS 57 HB3 LYS 57 -0.546 -2.335 6.814 420 HG2 LYS 57 HG2 LYS 57 1.055 -4.813 7.582 421 HG3 LYS 57 HG3 LYS 57 -0.098 -4.852 6.253 422 HD2 LYS 57 HD2 LYS 57 1.117 -3.102 5.046 423 HD3 LYS 57 HD3 LYS 57 2.279 -2.964 6.380 424 HE2 LYS 57 HE2 LYS 57 2.859 -5.384 6.089 425 HE3 LYS 57 HE3 LYS 57 1.804 -5.440 4.674 426 HZ1 LYS 57 HZ1 LYS 57 4.081 -5.062 4.017 427 HZ2 LYS 57 HZ2 LYS 57 4.224 -3.729 4.956 428 HZ3 LYS 57 HZ3 LYS 57 3.227 -3.724 3.652 429 H HIS 58 H HIS 58 0.404 -0.057 7.952 430 HA HIS 58 HA HIS 58 3.287 0.329 8.565 431 HB2 HIS 58 HB2 HIS 58 3.987 0.702 6.319 432 HB3 HIS 58 HB3 HIS 58 3.200 -0.858 6.346 433 HD1 HIS 58 HD1 HIS 58 3.194 2.301 4.538 434 HD2 HIS 58 HD2 HIS 58 0.312 -0.593 5.629 435 HE1 HIS 58 HE1 HIS 58 1.054 2.754 3.111 436 HE2 HIS 58 HE2 HIS 58 -0.678 0.986 3.822 437 H ILE 59 H ILE 59 0.782 1.691 9.386 438 HA ILE 59 HA ILE 59 1.571 4.485 8.685 439 HB ILE 59 HB ILE 59 -1.334 3.629 8.893 440 HG12 ILE 59 HG12 ILE 59 0.476 3.961 6.486 441 HG13 ILE 59 HG13 ILE 59 -0.612 2.637 6.870 442 HG21 ILE 59 HG21 ILE 59 -0.871 5.988 9.557 443 HG22 ILE 59 HG22 ILE 59 -0.107 6.254 7.974 444 HG23 ILE 59 HG23 ILE 59 -1.839 5.885 8.116 445 HD11 ILE 59 HD11 ILE 59 -1.445 3.911 4.999 446 HD12 ILE 59 HD12 ILE 59 -2.560 4.117 6.378 447 HD13 ILE 59 HD13 ILE 59 -1.421 5.414 5.914 448 H THR 60 H THR 60 1.413 5.951 10.310 449 HA THR 60 HA THR 60 0.320 5.100 12.953 450 HB THR 60 HB THR 60 2.605 4.281 13.001 451 HG1 THR 60 HG1 THR 60 3.233 5.471 14.871 452 HG21 THR 60 HG21 THR 60 4.535 5.767 13.004 453 HG22 THR 60 HG22 THR 60 3.510 7.174 12.641 454 HG23 THR 60 HG23 THR 60 3.711 5.874 11.447 455 H ASN 61 H ASN 61 0.155 6.734 14.538 456 HA ASN 61 HA ASN 61 -0.139 9.530 13.569 457 HB2 ASN 61 HB2 ASN 61 -1.133 8.016 16.027 458 HB3 ASN 61 HB3 ASN 61 -1.271 9.753 15.832 459 HD21 ASN 61 HD21 ASN 61 -2.918 6.842 15.253 460 HD22 ASN 61 HD22 ASN 61 -4.064 7.518 14.103 461 H THR 62 H THR 62 2.310 7.680 14.751 462 HA THR 62 HA THR 62 3.952 9.954 15.416 463 HB THR 62 HB THR 62 2.962 9.836 17.577 464 HG1 THR 62 HG1 THR 62 4.821 9.456 18.781 465 HG21 THR 62 HG21 THR 62 2.162 7.459 17.612 466 HG22 THR 62 HG22 THR 62 2.999 7.973 19.083 467 HG23 THR 62 HG23 THR 62 3.835 6.942 17.914 468 H ARG 63 H ARG 63 5.748 9.461 14.247 469 HA ARG 63 HA ARG 63 6.616 6.733 13.726 470 HB2 ARG 63 HB2 ARG 63 7.123 8.564 12.130 471 HB3 ARG 63 HB3 ARG 63 8.158 9.333 13.357 472 HG2 ARG 63 HG2 ARG 63 9.501 7.122 13.367 473 HG3 ARG 63 HG3 ARG 63 8.458 6.608 12.030 474 HD2 ARG 63 HD2 ARG 63 10.476 7.399 11.078 475 HD3 ARG 63 HD3 ARG 63 9.215 8.585 10.731 476 HE ARG 63 HE ARG 63 10.349 10.169 12.008 477 HH11 ARG 63 HH11 ARG 63 11.797 7.081 12.863 478 HH12 ARG 63 HH12 ARG 63 13.130 7.848 13.664 479 HH21 ARG 63 HH21 ARG 63 12.059 11.057 13.072 480 HH22 ARG 63 HH22 ARG 63 13.271 10.032 13.774 481 H ASP 64 H ASP 64 7.032 5.583 15.472 482 HA ASP 64 HA ASP 64 9.156 6.469 17.382 483 HB2 ASP 64 HB2 ASP 64 6.811 6.027 18.210 484 HB3 ASP 64 HB3 ASP 64 7.022 4.340 17.748 485 H VAL 65 H VAL 65 9.128 4.787 14.665 486 HA VAL 65 HA VAL 65 10.425 2.290 15.408 487 HB VAL 65 HB VAL 65 9.082 2.322 13.447 488 HG11 VAL 65 HG11 VAL 65 9.728 3.543 11.379 489 HG12 VAL 65 HG12 VAL 65 9.202 4.604 12.682 490 HG13 VAL 65 HG13 VAL 65 10.939 4.449 12.300 491 HG21 VAL 65 HG21 VAL 65 10.505 1.223 11.907 492 HG22 VAL 65 HG22 VAL 65 11.927 2.135 12.429 493 HG23 VAL 65 HG23 VAL 65 11.182 0.916 13.499 494 H ASP 66 H ASP 66 12.504 1.692 15.290 495 HA ASP 66 HA ASP 66 14.635 3.653 14.554 496 HB2 ASP 66 HB2 ASP 66 14.201 3.431 17.055 497 HB3 ASP 66 HB3 ASP 66 14.747 1.759 16.921 498 H CYS 67 H CYS 67 13.291 0.957 13.536 499 HA CYS 67 HA CYS 67 13.798 -0.985 12.498 500 HB2 CYS 67 HB2 CYS 67 16.086 0.672 11.446 501 HB3 CYS 67 HB3 CYS 67 15.314 -0.714 10.662 502 H ASP 68 H ASP 68 14.571 -1.206 15.018 503 HA ASP 68 HA ASP 68 16.506 -3.403 15.045 504 HB2 ASP 68 HB2 ASP 68 17.114 -0.706 16.191 505 HB3 ASP 68 HB3 ASP 68 17.394 -2.048 17.280 506 H ASN 69 H ASN 69 14.058 -1.441 16.715 507 HA ASN 69 HA ASN 69 13.551 -3.631 18.652 508 HB2 ASN 69 HB2 ASN 69 12.409 -1.861 19.959 509 HB3 ASN 69 HB3 ASN 69 14.136 -1.633 19.716 510 HD21 ASN 69 HD21 ASN 69 11.389 -0.655 17.497 511 HD22 ASN 69 HD22 ASN 69 11.818 1.037 17.706 512 H ILE 70 H ILE 70 12.430 -2.842 15.695 513 HA ILE 70 HA ILE 70 9.587 -2.884 15.965 514 HB ILE 70 HB ILE 70 9.516 -3.373 13.623 515 HG12 ILE 70 HG12 ILE 70 12.435 -4.163 13.884 516 HG13 ILE 70 HG13 ILE 70 11.083 -5.093 13.218 517 HG21 ILE 70 HG21 ILE 70 10.598 -1.393 12.849 518 HG22 ILE 70 HG22 ILE 70 10.096 -1.108 14.513 519 HG23 ILE 70 HG23 ILE 70 11.806 -1.453 14.152 520 HD11 ILE 70 HD11 ILE 70 12.451 -2.699 11.986 521 HD12 ILE 70 HD12 ILE 70 12.433 -4.373 11.393 522 HD13 ILE 70 HD13 ILE 70 10.941 -3.405 11.344 523 H MET 71 H MET 71 11.794 -5.345 16.532 524 HA MET 71 HA MET 71 10.285 -7.741 16.123 525 HB2 MET 71 HB2 MET 71 12.606 -7.755 16.768 526 HB3 MET 71 HB3 MET 71 12.256 -6.991 18.319 527 HG2 MET 71 HG2 MET 71 10.974 -9.627 17.568 528 HG3 MET 71 HG3 MET 71 12.635 -9.585 18.147 529 HE1 MET 71 HE1 MET 71 9.529 -10.750 19.265 530 HE2 MET 71 HE2 MET 71 11.087 -11.462 19.746 531 HE3 MET 71 HE3 MET 71 9.956 -10.870 20.985 532 H SER 72 H SER 72 9.954 -5.238 18.608 533 HA SER 72 HA SER 72 7.984 -6.713 20.195 534 HB2 SER 72 HB2 SER 72 9.708 -5.016 21.027 535 HB3 SER 72 HB3 SER 72 8.654 -3.758 20.361 536 HG SER 72 HG SER 72 6.960 -4.683 21.702 537 H THR 73 H THR 73 7.579 -5.440 17.206 538 HA THR 73 HA THR 73 4.818 -4.370 17.691 539 HB THR 73 HB THR 73 5.062 -2.806 15.943 540 HG1 THR 73 HG1 THR 73 7.510 -4.117 15.400 541 HG21 THR 73 HG21 THR 73 6.880 -1.342 16.579 542 HG22 THR 73 HG22 THR 73 7.708 -2.649 17.446 543 HG23 THR 73 HG23 THR 73 6.145 -2.037 18.038 544 H ASN 74 H ASN 74 3.670 -4.306 15.355 545 HA ASN 74 HA ASN 74 3.252 -7.004 14.468 546 HB2 ASN 74 HB2 ASN 74 2.563 -4.397 13.032 547 HB3 ASN 74 HB3 ASN 74 1.852 -5.979 12.737 548 HD21 ASN 74 HD21 ASN 74 1.498 -3.073 14.509 549 HD22 ASN 74 HD22 ASN 74 0.290 -3.690 15.629 550 H LEU 75 H LEU 75 5.696 -4.719 13.581 551 HA LEU 75 HA LEU 75 6.145 -5.689 10.878 552 HB2 LEU 75 HB2 LEU 75 7.583 -3.691 12.668 553 HB3 LEU 75 HB3 LEU 75 7.973 -3.962 10.994 554 HG LEU 75 HG LEU 75 6.765 -2.051 10.931 555 HD11 LEU 75 HD11 LEU 75 4.830 -2.443 9.676 556 HD12 LEU 75 HD12 LEU 75 4.567 -4.046 10.377 557 HD13 LEU 75 HD13 LEU 75 5.954 -3.748 9.293 558 HD21 LEU 75 HD21 LEU 75 5.841 -1.978 13.192 559 HD22 LEU 75 HD22 LEU 75 4.567 -3.126 12.720 560 HD23 LEU 75 HD23 LEU 75 4.639 -1.536 11.971 561 H PHE 76 H PHE 76 6.883 -7.322 13.527 562 HA PHE 76 HA PHE 76 9.677 -7.785 13.518 563 HB2 PHE 76 HB2 PHE 76 9.229 -9.463 15.063 564 HB3 PHE 76 HB3 PHE 76 7.998 -8.244 15.352 565 HD1 PHE 76 HD1 PHE 76 5.617 -8.692 14.332 566 HD2 PHE 76 HD2 PHE 76 8.668 -11.715 14.666 567 HE1 PHE 76 HE1 PHE 76 3.886 -10.450 14.136 568 HE2 PHE 76 HE2 PHE 76 6.929 -13.482 14.476 569 HZ PHE 76 HZ PHE 76 4.536 -12.852 14.214 570 H HIS 77 H HIS 77 7.541 -8.663 11.154 571 HA HIS 77 HA HIS 77 8.200 -11.315 10.476 572 HB2 HIS 77 HB2 HIS 77 6.292 -9.678 9.691 573 HB3 HIS 77 HB3 HIS 77 7.384 -9.299 8.369 574 HD1 HIS 77 HD1 HIS 77 8.395 -12.126 7.531 575 HD2 HIS 77 HD2 HIS 77 4.474 -11.242 8.828 576 HE1 HIS 77 HE1 HIS 77 6.872 -14.012 6.608 577 HE2 HIS 77 HE2 HIS 77 4.481 -13.455 7.400 578 H CYS 78 H CYS 78 10.352 -8.832 10.395 579 HA CYS 78 HA CYS 78 12.306 -8.299 9.398 580 HB2 CYS 78 HB2 CYS 78 12.620 -10.447 10.705 581 HB3 CYS 78 HB3 CYS 78 12.685 -11.291 9.162 582 H LYS 79 H LYS 79 10.284 -8.152 7.559 583 HA LYS 79 HA LYS 79 11.033 -9.082 4.929 584 HB2 LYS 79 HB2 LYS 79 9.425 -7.238 4.168 585 HB3 LYS 79 HB3 LYS 79 8.811 -8.574 5.115 586 HG2 LYS 79 HG2 LYS 79 7.747 -6.574 5.827 587 HG3 LYS 79 HG3 LYS 79 8.724 -7.195 7.140 588 HD2 LYS 79 HD2 LYS 79 10.136 -5.218 5.437 589 HD3 LYS 79 HD3 LYS 79 8.661 -4.583 6.131 590 HE2 LYS 79 HE2 LYS 79 10.873 -5.899 7.779 591 HE3 LYS 79 HE3 LYS 79 10.814 -4.178 7.437 592 HZ1 LYS 79 HZ1 LYS 79 8.733 -5.686 8.938 593 HZ2 LYS 79 HZ2 LYS 79 8.637 -4.087 8.565 594 HZ3 LYS 79 HZ3 LYS 79 9.810 -4.654 9.567 595 H ASP 80 H ASP 80 11.595 -7.707 3.115 596 HA ASP 80 HA ASP 80 14.227 -6.720 3.532 597 HB2 ASP 80 HB2 ASP 80 14.338 -6.490 1.158 598 HB3 ASP 80 HB3 ASP 80 13.523 -7.992 1.566 599 H LYS 81 H LYS 81 11.223 -4.958 3.179 600 HA LYS 81 HA LYS 81 12.393 -2.685 4.423 601 HB2 LYS 81 HB2 LYS 81 11.746 -0.966 2.657 602 HB3 LYS 81 HB3 LYS 81 13.174 -1.911 2.288 603 HG2 LYS 81 HG2 LYS 81 12.121 -3.217 0.687 604 HG3 LYS 81 HG3 LYS 81 10.484 -2.780 1.211 605 HD2 LYS 81 HD2 LYS 81 12.435 -0.827 -0.077 606 HD3 LYS 81 HD3 LYS 81 11.216 -1.753 -0.959 607 HE2 LYS 81 HE2 LYS 81 9.431 -0.736 0.491 608 HE3 LYS 81 HE3 LYS 81 10.664 0.277 1.255 609 HZ1 LYS 81 HZ1 LYS 81 11.128 1.229 -0.952 610 HZ2 LYS 81 HZ2 LYS 81 9.573 1.469 -0.523 611 HZ3 LYS 81 HZ3 LYS 81 9.947 0.321 -1.627 612 H ASN 82 H ASN 82 10.889 -1.034 5.003 613 HA ASN 82 HA ASN 82 8.027 -1.556 4.415 614 HB2 ASN 82 HB2 ASN 82 8.779 -2.452 6.767 615 HB3 ASN 82 HB3 ASN 82 8.868 -0.759 7.225 616 HD21 ASN 82 HD21 ASN 82 7.031 -0.449 8.529 617 HD22 ASN 82 HD22 ASN 82 5.453 -1.090 8.082 618 H THR 83 H THR 83 6.849 0.253 4.083 619 HA THR 83 HA THR 83 8.234 2.892 4.202 620 HB THR 83 HB THR 83 5.785 2.090 2.570 621 HG1 THR 83 HG1 THR 83 7.251 2.143 0.835 622 HG21 THR 83 HG21 THR 83 6.275 4.186 1.348 623 HG22 THR 83 HG22 THR 83 7.635 4.513 2.452 624 HG23 THR 83 HG23 THR 83 5.972 4.518 3.058 625 H PHE 84 H PHE 84 7.761 3.599 6.274 626 HA PHE 84 HA PHE 84 5.045 3.389 7.370 627 HB2 PHE 84 HB2 PHE 84 7.453 4.793 8.488 628 HB3 PHE 84 HB3 PHE 84 5.894 4.662 9.286 629 HD1 PHE 84 HD1 PHE 84 5.005 2.293 9.842 630 HD2 PHE 84 HD2 PHE 84 9.107 3.193 8.826 631 HE1 PHE 84 HE1 PHE 84 5.754 0.237 11.007 632 HE2 PHE 84 HE2 PHE 84 9.825 1.028 9.813 633 HZ PHE 84 HZ PHE 84 8.163 -0.407 11.010 634 H ILE 85 H ILE 85 3.543 4.901 7.388 635 HA ILE 85 HA ILE 85 4.063 7.633 6.263 636 HB ILE 85 HB ILE 85 1.587 5.887 6.333 637 HG12 ILE 85 HG12 ILE 85 3.109 6.905 3.890 638 HG13 ILE 85 HG13 ILE 85 3.369 5.312 4.603 639 HG21 ILE 85 HG21 ILE 85 0.406 7.631 5.091 640 HG22 ILE 85 HG22 ILE 85 0.965 8.264 6.623 641 HG23 ILE 85 HG23 ILE 85 1.849 8.677 5.138 642 HD11 ILE 85 HD11 ILE 85 0.781 6.299 3.366 643 HD12 ILE 85 HD12 ILE 85 1.855 5.016 2.789 644 HD13 ILE 85 HD13 ILE 85 0.941 4.801 4.306 645 H TYR 86 H TYR 86 4.221 9.128 7.877 646 HA TYR 86 HA TYR 86 2.640 8.818 10.353 647 HB2 TYR 86 HB2 TYR 86 4.932 9.549 10.547 648 HB3 TYR 86 HB3 TYR 86 4.593 10.903 9.478 649 HD1 TYR 86 HD1 TYR 86 1.854 10.349 11.846 650 HD2 TYR 86 HD2 TYR 86 5.771 12.125 11.394 651 HE1 TYR 86 HE1 TYR 86 1.371 11.905 13.688 652 HE2 TYR 86 HE2 TYR 86 5.278 13.668 13.274 653 HH TYR 86 HH TYR 86 3.715 14.380 14.790 654 H SER 87 H SER 87 0.558 8.860 9.478 655 HA SER 87 HA SER 87 -0.509 11.590 8.963 656 HB2 SER 87 HB2 SER 87 -1.173 9.152 7.257 657 HB3 SER 87 HB3 SER 87 -2.031 10.701 7.208 658 HG SER 87 HG SER 87 -0.452 10.595 5.589 659 H ARG 88 H ARG 88 -2.700 11.847 9.426 660 HA ARG 88 HA ARG 88 -4.050 10.015 11.315 661 HB2 ARG 88 HB2 ARG 88 -5.035 12.519 9.858 662 HB3 ARG 88 HB3 ARG 88 -5.908 11.648 11.112 663 HG2 ARG 88 HG2 ARG 88 -3.821 12.091 12.621 664 HG3 ARG 88 HG3 ARG 88 -3.363 13.266 11.383 665 HD2 ARG 88 HD2 ARG 88 -4.535 14.532 12.968 666 HD3 ARG 88 HD3 ARG 88 -5.716 14.270 11.674 667 HE ARG 88 HE ARG 88 -5.833 12.230 13.762 668 HH11 ARG 88 HH11 ARG 88 -7.034 15.421 13.014 669 HH12 ARG 88 HH12 ARG 88 -8.335 15.306 14.168 670 HH21 ARG 88 HH21 ARG 88 -7.490 12.138 15.220 671 HH22 ARG 88 HH22 ARG 88 -8.565 13.492 15.395 672 HA PRO 89 HA PRO 89 -6.071 7.643 8.198 673 HB2 PRO 89 HB2 PRO 89 -8.639 7.226 9.149 674 HB3 PRO 89 HB3 PRO 89 -7.167 6.411 9.762 675 HG2 PRO 89 HG2 PRO 89 -8.573 8.843 10.885 676 HG3 PRO 89 HG3 PRO 89 -7.982 7.399 11.765 677 HD2 PRO 89 HD2 PRO 89 -6.537 9.682 11.695 678 HD3 PRO 89 HD3 PRO 89 -5.728 8.094 11.581 679 H GLU 90 H GLU 90 -7.533 10.765 8.944 680 HA GLU 90 HA GLU 90 -9.619 10.723 6.984 681 HB2 GLU 90 HB2 GLU 90 -8.182 13.060 8.291 682 HB3 GLU 90 HB3 GLU 90 -9.513 13.225 7.149 683 HG2 GLU 90 HG2 GLU 90 -10.845 13.170 8.915 684 HG3 GLU 90 HG3 GLU 90 -10.578 11.432 8.956 685 HA PRO 91 HA PRO 91 -6.817 12.875 3.783 686 HB2 PRO 91 HB2 PRO 91 -4.086 13.001 4.129 687 HB3 PRO 91 HB3 PRO 91 -5.213 14.255 4.719 688 HG2 PRO 91 HG2 PRO 91 -3.988 11.943 6.243 689 HG3 PRO 91 HG3 PRO 91 -4.108 13.659 6.748 690 HD2 PRO 91 HD2 PRO 91 -5.860 11.790 7.604 691 HD3 PRO 91 HD3 PRO 91 -6.414 13.432 7.250 692 H VAL 92 H VAL 92 -6.401 9.908 5.112 693 HA VAL 92 HA VAL 92 -5.026 8.679 2.737 694 HB VAL 92 HB VAL 92 -5.714 7.365 5.392 695 HG11 VAL 92 HG11 VAL 92 -3.792 6.593 3.152 696 HG12 VAL 92 HG12 VAL 92 -4.000 5.723 4.683 697 HG13 VAL 92 HG13 VAL 92 -5.336 5.801 3.527 698 HG21 VAL 92 HG21 VAL 92 -3.011 8.518 4.594 699 HG22 VAL 92 HG22 VAL 92 -4.081 9.212 5.821 700 HG23 VAL 92 HG23 VAL 92 -3.386 7.616 6.073 701 H LYS 93 H LYS 93 -7.874 8.135 4.857 702 HA LYS 93 HA LYS 93 -9.118 6.345 2.981 703 HB2 LYS 93 HB2 LYS 93 -9.571 6.873 5.611 704 HB3 LYS 93 HB3 LYS 93 -10.882 7.817 4.893 705 HG2 LYS 93 HG2 LYS 93 -11.189 5.548 3.458 706 HG3 LYS 93 HG3 LYS 93 -10.386 4.836 4.863 707 HD2 LYS 93 HD2 LYS 93 -13.004 6.425 4.886 708 HD3 LYS 93 HD3 LYS 93 -12.828 4.673 4.900 709 HE2 LYS 93 HE2 LYS 93 -13.208 5.036 7.097 710 HE3 LYS 93 HE3 LYS 93 -11.447 4.954 7.032 711 HZ1 LYS 93 HZ1 LYS 93 -12.233 6.795 8.402 712 HZ2 LYS 93 HZ2 LYS 93 -13.027 7.465 7.146 713 HZ3 LYS 93 HZ3 LYS 93 -11.388 7.386 7.138 714 H ALA 94 H ALA 94 -9.582 9.818 3.548 715 HA ALA 94 HA ALA 94 -11.882 10.032 1.807 716 HB1 ALA 94 HB1 ALA 94 -10.114 12.223 2.945 717 HB2 ALA 94 HB2 ALA 94 -11.776 12.383 2.345 718 HB3 ALA 94 HB3 ALA 94 -11.463 11.448 3.821 719 H ILE 95 H ILE 95 -8.627 9.754 0.966 720 HA ILE 95 HA ILE 95 -8.369 11.420 -1.300 721 HB ILE 95 HB ILE 95 -7.423 8.538 -1.067 722 HG12 ILE 95 HG12 ILE 95 -5.874 11.080 -0.371 723 HG13 ILE 95 HG13 ILE 95 -6.653 10.054 0.823 724 HG21 ILE 95 HG21 ILE 95 -5.732 9.157 -2.726 725 HG22 ILE 95 HG22 ILE 95 -7.303 9.533 -3.394 726 HG23 ILE 95 HG23 ILE 95 -6.301 10.840 -2.748 727 HD11 ILE 95 HD11 ILE 95 -4.322 9.495 0.750 728 HD12 ILE 95 HD12 ILE 95 -5.247 8.124 0.124 729 HD13 ILE 95 HD13 ILE 95 -4.363 9.199 -0.988 730 H CYS 96 H CYS 96 -10.258 8.445 -0.856 731 HA CYS 96 HA CYS 96 -11.438 8.786 -3.582 732 HB2 CYS 96 HB2 CYS 96 -12.040 6.467 -3.486 733 HB3 CYS 96 HB3 CYS 96 -10.302 6.667 -3.275 734 H LYS 97 H LYS 97 -13.660 8.395 -3.818 735 HA LYS 97 HA LYS 97 -15.504 8.387 -1.543 736 HB2 LYS 97 HB2 LYS 97 -14.781 10.785 -1.807 737 HB3 LYS 97 HB3 LYS 97 -15.507 10.817 -3.403 738 HG2 LYS 97 HG2 LYS 97 -17.093 10.047 -0.908 739 HG3 LYS 97 HG3 LYS 97 -16.790 11.729 -1.331 740 HD2 LYS 97 HD2 LYS 97 -17.913 11.411 -3.521 741 HD3 LYS 97 HD3 LYS 97 -18.317 9.740 -3.062 742 HE2 LYS 97 HE2 LYS 97 -19.570 10.545 -1.105 743 HE3 LYS 97 HE3 LYS 97 -19.127 12.215 -1.478 744 HZ1 LYS 97 HZ1 LYS 97 -20.373 12.023 -3.558 745 HZ2 LYS 97 HZ2 LYS 97 -21.349 11.680 -2.298 746 HZ3 LYS 97 HZ3 LYS 97 -20.778 10.472 -3.233 747 H GLY 98 H GLY 98 -16.684 6.722 -2.208 748 HA2 GLY 98 HA2 GLY 98 -18.431 5.683 -3.387 749 HA3 GLY 98 HA3 GLY 98 -18.299 6.882 -4.663 750 H ILE 99 H ILE 99 -15.225 5.612 -4.084 751 HA ILE 99 HA ILE 99 -15.219 4.216 -6.631 752 HB ILE 99 HB ILE 99 -12.999 4.602 -4.594 753 HG12 ILE 99 HG12 ILE 99 -13.742 6.023 -7.197 754 HG13 ILE 99 HG13 ILE 99 -13.798 6.698 -5.573 755 HG21 ILE 99 HG21 ILE 99 -12.519 2.596 -5.925 756 HG22 ILE 99 HG22 ILE 99 -12.959 3.452 -7.434 757 HG23 ILE 99 HG23 ILE 99 -11.521 3.904 -6.511 758 HD11 ILE 99 HD11 ILE 99 -11.875 7.623 -6.525 759 HD12 ILE 99 HD12 ILE 99 -11.244 6.336 -5.484 760 HD13 ILE 99 HD13 ILE 99 -11.350 6.086 -7.237 761 H ILE 100 H ILE 100 -15.993 2.320 -6.874 762 HA ILE 100 HA ILE 100 -15.428 0.086 -4.959 763 HB ILE 100 HB ILE 100 -17.481 -0.020 -7.182 764 HG12 ILE 100 HG12 ILE 100 -17.864 1.067 -4.363 765 HG13 ILE 100 HG13 ILE 100 -18.137 1.928 -5.881 766 HG21 ILE 100 HG21 ILE 100 -18.459 -1.793 -5.844 767 HG22 ILE 100 HG22 ILE 100 -16.750 -2.150 -5.976 768 HG23 ILE 100 HG23 ILE 100 -17.383 -1.419 -4.485 769 HD11 ILE 100 HD11 ILE 100 -20.261 1.400 -4.983 770 HD12 ILE 100 HD12 ILE 100 -20.016 0.360 -6.402 771 HD13 ILE 100 HD13 ILE 100 -19.845 -0.301 -4.753 772 H ALA 101 H ALA 101 -14.438 1.422 -7.850 773 HA ALA 101 HA ALA 101 -14.034 -0.819 -9.566 774 HB1 ALA 101 HB1 ALA 101 -14.436 1.529 -10.274 775 HB2 ALA 101 HB2 ALA 101 -12.833 1.983 -9.636 776 HB3 ALA 101 HB3 ALA 101 -12.969 0.856 -11.001 777 H SER 102 H SER 102 -12.378 -0.640 -6.833 778 HA SER 102 HA SER 102 -10.272 -0.943 -6.027 779 HB2 SER 102 HB2 SER 102 -9.054 -2.858 -6.879 780 HB3 SER 102 HB3 SER 102 -10.781 -3.155 -6.663 781 HG SER 102 HG SER 102 -10.411 -2.333 -9.163 782 H LYS 103 H LYS 103 -9.926 1.365 -6.675 783 HA LYS 103 HA LYS 103 -7.344 1.764 -8.038 784 HB2 LYS 103 HB2 LYS 103 -8.865 1.766 -9.898 785 HB3 LYS 103 HB3 LYS 103 -9.960 2.903 -9.112 786 HG2 LYS 103 HG2 LYS 103 -8.417 4.714 -9.358 787 HG3 LYS 103 HG3 LYS 103 -7.088 3.631 -9.820 788 HD2 LYS 103 HD2 LYS 103 -8.104 3.094 -11.915 789 HD3 LYS 103 HD3 LYS 103 -9.632 3.867 -11.486 790 HE2 LYS 103 HE2 LYS 103 -7.007 5.409 -11.662 791 HE3 LYS 103 HE3 LYS 103 -8.027 5.123 -13.075 792 HZ1 LYS 103 HZ1 LYS 103 -8.918 6.553 -10.628 793 HZ2 LYS 103 HZ2 LYS 103 -9.846 6.265 -11.946 794 HZ3 LYS 103 HZ3 LYS 103 -8.553 7.250 -12.058 795 H ASN 104 H ASN 104 -6.375 3.838 -7.437 796 HA ASN 104 HA ASN 104 -8.141 5.806 -6.201 797 HB2 ASN 104 HB2 ASN 104 -6.661 4.254 -4.530 798 HB3 ASN 104 HB3 ASN 104 -5.469 5.494 -4.851 799 HD21 ASN 104 HD21 ASN 104 -6.514 5.082 -2.291 800 HD22 ASN 104 HD22 ASN 104 -7.449 6.492 -1.850 801 H VAL 105 H VAL 105 -6.277 7.740 -5.593 802 HA VAL 105 HA VAL 105 -4.531 8.149 -7.972 803 HB VAL 105 HB VAL 105 -6.145 10.363 -6.632 804 HG11 VAL 105 HG11 VAL 105 -4.051 11.148 -7.681 805 HG12 VAL 105 HG12 VAL 105 -4.481 10.318 -9.194 806 HG13 VAL 105 HG13 VAL 105 -5.444 11.690 -8.607 807 HG21 VAL 105 HG21 VAL 105 -7.453 10.481 -8.751 808 HG22 VAL 105 HG22 VAL 105 -6.673 8.980 -9.299 809 HG23 VAL 105 HG23 VAL 105 -7.740 8.980 -7.875 810 H LEU 106 H LEU 106 -2.515 8.913 -7.432 811 HA LEU 106 HA LEU 106 -1.381 8.879 -4.891 812 HB2 LEU 106 HB2 LEU 106 -0.154 9.003 -7.071 813 HB3 LEU 106 HB3 LEU 106 -0.724 10.647 -7.297 814 HG LEU 106 HG LEU 106 0.611 11.294 -5.234 815 HD11 LEU 106 HD11 LEU 106 2.298 9.817 -4.384 816 HD12 LEU 106 HD12 LEU 106 1.867 8.563 -5.574 817 HD13 LEU 106 HD13 LEU 106 0.732 9.003 -4.291 818 HD21 LEU 106 HD21 LEU 106 2.769 11.262 -6.399 819 HD22 LEU 106 HD22 LEU 106 1.451 11.704 -7.491 820 HD23 LEU 106 HD23 LEU 106 2.129 10.066 -7.553 821 H THR 107 H THR 107 -1.104 10.316 -3.205 822 HA THR 107 HA THR 107 -2.895 12.540 -2.853 823 HB THR 107 HB THR 107 -0.701 12.967 -1.112 824 HG1 THR 107 HG1 THR 107 -1.396 10.251 -1.008 825 HG21 THR 107 HG21 THR 107 -2.268 12.000 0.598 826 HG22 THR 107 HG22 THR 107 -3.327 11.464 -0.716 827 HG23 THR 107 HG23 THR 107 -3.049 13.199 -0.453 828 H THR 108 H THR 108 -2.018 14.718 -2.109 829 HA THR 108 HA THR 108 -0.107 15.829 -4.155 830 HB THR 108 HB THR 108 -2.433 16.372 -4.659 831 HG1 THR 108 HG1 THR 108 -2.040 18.567 -4.939 832 HG21 THR 108 HG21 THR 108 -3.380 16.580 -2.363 833 HG22 THR 108 HG22 THR 108 -3.684 18.009 -3.359 834 HG23 THR 108 HG23 THR 108 -2.420 18.061 -2.117 835 H SER 109 H SER 109 -1.162 16.018 -0.804 836 HA SER 109 HA SER 109 0.720 18.075 0.021 837 HB2 SER 109 HB2 SER 109 -0.839 16.029 1.646 838 HB3 SER 109 HB3 SER 109 0.002 17.450 2.292 839 HG SER 109 HG SER 109 -2.227 17.865 1.983 840 H GLU 110 H GLU 110 2.255 17.555 1.883 841 HA GLU 110 HA GLU 110 3.863 15.119 1.250 842 HB2 GLU 110 HB2 GLU 110 4.947 17.835 2.065 843 HB3 GLU 110 HB3 GLU 110 5.855 16.394 1.577 844 HG2 GLU 110 HG2 GLU 110 4.520 16.521 -0.634 845 HG3 GLU 110 HG3 GLU 110 4.067 18.151 -0.146 846 H PHE 111 H PHE 111 4.003 13.691 2.821 847 HA PHE 111 HA PHE 111 3.388 14.475 5.630 848 HB2 PHE 111 HB2 PHE 111 3.049 11.755 4.326 849 HB3 PHE 111 HB3 PHE 111 2.380 12.314 5.847 850 HD1 PHE 111 HD1 PHE 111 2.176 12.607 2.144 851 HD2 PHE 111 HD2 PHE 111 0.200 13.413 5.889 852 HE1 PHE 111 HE1 PHE 111 0.108 13.160 0.925 853 HE2 PHE 111 HE2 PHE 111 -1.887 13.948 4.662 854 HZ PHE 111 HZ PHE 111 -1.935 13.806 2.162 855 H TYR 112 H TYR 112 4.486 13.113 7.310 856 HA TYR 112 HA TYR 112 7.325 12.924 6.746 857 HB2 TYR 112 HB2 TYR 112 5.633 12.931 9.096 858 HB3 TYR 112 HB3 TYR 112 6.757 11.580 9.175 859 HD1 TYR 112 HD1 TYR 112 6.756 15.242 8.280 860 HD2 TYR 112 HD2 TYR 112 8.843 11.953 10.142 861 HE1 TYR 112 HE1 TYR 112 8.551 16.797 9.011 862 HE2 TYR 112 HE2 TYR 112 10.638 13.521 10.883 863 HH TYR 112 HH TYR 112 10.535 17.020 10.139 864 H LEU 113 H LEU 113 8.208 11.417 5.615 865 HA LEU 113 HA LEU 113 6.998 8.705 5.469 866 HB2 LEU 113 HB2 LEU 113 7.694 10.692 3.476 867 HB3 LEU 113 HB3 LEU 113 8.695 9.278 3.227 868 HG LEU 113 HG LEU 113 6.620 9.273 1.918 869 HD11 LEU 113 HD11 LEU 113 6.704 7.016 3.957 870 HD12 LEU 113 HD12 LEU 113 7.729 7.149 2.516 871 HD13 LEU 113 HD13 LEU 113 5.975 6.962 2.346 872 HD21 LEU 113 HD21 LEU 113 5.070 8.864 4.496 873 HD22 LEU 113 HD22 LEU 113 4.448 8.895 2.836 874 HD23 LEU 113 HD23 LEU 113 5.112 10.369 3.554 875 H SER 114 H SER 114 8.036 7.065 6.101 876 HA SER 114 HA SER 114 10.949 7.273 6.795 877 HB2 SER 114 HB2 SER 114 9.696 7.774 8.750 878 HB3 SER 114 HB3 SER 114 8.598 6.440 8.488 879 HG SER 114 HG SER 114 10.019 5.703 9.975 880 H ASP 115 H ASP 115 11.794 6.024 5.270 881 HA ASP 115 HA ASP 115 10.779 3.270 4.781 882 HB2 ASP 115 HB2 ASP 115 13.114 4.828 3.618 883 HB3 ASP 115 HB3 ASP 115 12.648 3.202 3.142 884 H CYS 116 H CYS 116 12.176 1.472 5.124 885 HA CYS 116 HA CYS 116 14.911 1.947 6.098 886 HB2 CYS 116 HB2 CYS 116 12.812 0.720 7.800 887 HB3 CYS 116 HB3 CYS 116 14.270 -0.244 7.650 888 H ASN 117 H ASN 117 16.265 0.678 4.955 889 HA ASN 117 HA ASN 117 15.119 -1.559 3.304 890 HB2 ASN 117 HB2 ASN 117 17.249 0.531 2.647 891 HB3 ASN 117 HB3 ASN 117 16.955 -0.912 1.685 892 HD21 ASN 117 HD21 ASN 117 15.683 2.286 2.515 893 HD22 ASN 117 HD22 ASN 117 14.437 2.218 1.273 894 H VAL 118 H VAL 118 16.004 -3.517 3.602 895 HA VAL 118 HA VAL 118 17.832 -3.997 5.722 896 HB VAL 118 HB VAL 118 16.854 -5.709 3.455 897 HG11 VAL 118 HG11 VAL 118 18.676 -6.639 5.721 898 HG12 VAL 118 HG12 VAL 118 17.778 -7.710 4.625 899 HG13 VAL 118 HG13 VAL 118 19.059 -6.695 3.978 900 HG21 VAL 118 HG21 VAL 118 16.423 -5.765 6.468 901 HG22 VAL 118 HG22 VAL 118 15.274 -5.214 5.229 902 HG23 VAL 118 HG23 VAL 118 15.718 -6.915 5.314 903 H THR 119 H THR 119 19.937 -4.541 5.897 904 HA THR 119 HA THR 119 21.744 -4.393 3.538 905 HB THR 119 HB THR 119 21.897 -2.231 4.389 906 HG1 THR 119 HG1 THR 119 24.092 -2.203 4.949 907 HG21 THR 119 HG21 THR 119 22.582 -3.288 7.155 908 HG22 THR 119 HG22 THR 119 21.074 -2.469 6.687 909 HG23 THR 119 HG23 THR 119 22.606 -1.596 6.625 910 H SER 120 H SER 120 22.332 -6.362 3.367 911 HA SER 120 HA SER 120 22.625 -8.311 5.449 912 HB2 SER 120 HB2 SER 120 23.529 -9.798 3.772 913 HB3 SER 120 HB3 SER 120 22.088 -8.975 3.175 914 HG SER 120 HG SER 120 23.467 -7.549 1.986 Start of MODEL 18 1 H1 ARG 1 H1 ARG 1 20.197 -6.629 17.549 2 H2 ARG 1 H2 ARG 1 19.513 -5.349 18.315 3 H3 ARG 1 H3 ARG 1 18.875 -6.845 18.481 4 HA ARG 1 HA ARG 1 17.497 -5.593 17.025 5 HB2 ARG 1 HB2 ARG 1 18.296 -4.675 14.924 6 HB3 ARG 1 HB3 ARG 1 19.153 -3.981 16.289 7 HG2 ARG 1 HG2 ARG 1 21.110 -5.524 15.747 8 HG3 ARG 1 HG3 ARG 1 20.208 -6.079 14.326 9 HD2 ARG 1 HD2 ARG 1 21.781 -4.353 13.649 10 HD3 ARG 1 HD3 ARG 1 20.136 -3.747 13.473 11 HE ARG 1 HE ARG 1 20.432 -2.297 15.360 12 HH11 ARG 1 HH11 ARG 1 23.412 -4.094 15.007 13 HH12 ARG 1 HH12 ARG 1 24.278 -2.923 15.968 14 HH21 ARG 1 HH21 ARG 1 21.414 -1.107 16.607 15 HH22 ARG 1 HH22 ARG 1 23.154 -1.204 16.911 16 HA PRO 2 HA PRO 2 16.677 -9.473 15.210 17 HB2 PRO 2 HB2 PRO 2 14.812 -8.913 13.257 18 HB3 PRO 2 HB3 PRO 2 14.479 -8.911 15.006 19 HG2 PRO 2 HG2 PRO 2 15.079 -6.546 13.210 20 HG3 PRO 2 HG3 PRO 2 13.816 -6.690 14.465 21 HD2 PRO 2 HD2 PRO 2 16.174 -5.409 14.923 22 HD3 PRO 2 HD3 PRO 2 15.372 -6.358 16.204 23 H CYS 3 H CYS 3 16.996 -6.991 12.633 24 HA CYS 3 HA CYS 3 18.991 -8.630 11.198 25 HB2 CYS 3 HB2 CYS 3 16.708 -7.443 9.599 26 HB3 CYS 3 HB3 CYS 3 17.840 -8.712 9.177 27 H LYS 4 H LYS 4 19.821 -7.284 9.252 28 HA LYS 4 HA LYS 4 20.688 -4.638 10.314 29 HB2 LYS 4 HB2 LYS 4 21.636 -6.209 7.892 30 HB3 LYS 4 HB3 LYS 4 22.438 -4.814 8.603 31 HG2 LYS 4 HG2 LYS 4 22.101 -7.543 9.942 32 HG3 LYS 4 HG3 LYS 4 23.529 -7.018 9.079 33 HD2 LYS 4 HD2 LYS 4 22.470 -5.624 11.579 34 HD3 LYS 4 HD3 LYS 4 23.704 -6.891 11.561 35 HE2 LYS 4 HE2 LYS 4 25.041 -5.459 9.937 36 HE3 LYS 4 HE3 LYS 4 23.899 -4.146 10.248 37 HZ1 LYS 4 HZ1 LYS 4 25.879 -4.024 11.675 38 HZ2 LYS 4 HZ2 LYS 4 25.562 -5.484 12.323 39 HZ3 LYS 4 HZ3 LYS 4 24.548 -4.225 12.591 40 H TYR 5 H TYR 5 20.013 -2.737 9.449 41 HA TYR 5 HA TYR 5 18.848 -2.657 6.708 42 HB2 TYR 5 HB2 TYR 5 17.560 -1.308 9.105 43 HB3 TYR 5 HB3 TYR 5 16.998 -1.244 7.450 44 HD1 TYR 5 HD2 TYR 5 17.271 -3.340 10.475 45 HD2 TYR 5 HD1 TYR 5 15.677 -3.115 6.450 46 HE1 TYR 5 HE2 TYR 5 15.660 -5.174 10.994 47 HE2 TYR 5 HE1 TYR 5 14.021 -4.850 7.031 48 HH TYR 5 HH TYR 5 13.462 -6.458 8.493 49 H LYS 6 H LYS 6 18.718 -0.605 5.781 50 HA LYS 6 HA LYS 6 20.890 1.293 6.463 51 HB2 LYS 6 HB2 LYS 6 19.022 1.039 4.069 52 HB3 LYS 6 HB3 LYS 6 20.413 2.120 4.149 53 HG2 LYS 6 HG2 LYS 6 21.977 0.380 3.941 54 HG3 LYS 6 HG3 LYS 6 20.891 -0.831 4.600 55 HD2 LYS 6 HD2 LYS 6 21.068 -1.356 2.305 56 HD3 LYS 6 HD3 LYS 6 19.466 -0.720 2.600 57 HE2 LYS 6 HE2 LYS 6 20.159 0.276 0.563 58 HE3 LYS 6 HE3 LYS 6 20.340 1.557 1.764 59 HZ1 LYS 6 HZ1 LYS 6 22.739 1.016 1.840 60 HZ2 LYS 6 HZ2 LYS 6 22.292 1.392 0.317 61 HZ3 LYS 6 HZ3 LYS 6 22.540 -0.165 0.726 62 H LEU 7 H LEU 7 20.542 3.578 6.296 63 HA LEU 7 HA LEU 7 18.003 4.522 7.542 64 HB2 LEU 7 HB2 LEU 7 20.396 4.843 8.527 65 HB3 LEU 7 HB3 LEU 7 20.604 6.067 7.297 66 HG LEU 7 HG LEU 7 20.033 7.106 9.362 67 HD11 LEU 7 HD11 LEU 7 18.104 8.430 8.877 68 HD12 LEU 7 HD12 LEU 7 17.444 7.206 7.779 69 HD13 LEU 7 HD13 LEU 7 18.927 8.097 7.347 70 HD21 LEU 7 HD21 LEU 7 17.493 5.435 9.509 71 HD22 LEU 7 HD22 LEU 7 18.044 6.665 10.667 72 HD23 LEU 7 HD23 LEU 7 18.967 5.171 10.466 73 H LYS 8 H LYS 8 16.537 4.990 6.103 74 HA LYS 8 HA LYS 8 17.108 7.056 4.024 75 HB2 LYS 8 HB2 LYS 8 17.099 4.920 2.906 76 HB3 LYS 8 HB3 LYS 8 15.610 4.435 3.700 77 HG2 LYS 8 HG2 LYS 8 15.196 4.998 1.399 78 HG3 LYS 8 HG3 LYS 8 14.337 6.124 2.444 79 HD2 LYS 8 HD2 LYS 8 15.946 7.885 2.026 80 HD3 LYS 8 HD3 LYS 8 17.045 6.788 1.184 81 HE2 LYS 8 HE2 LYS 8 14.204 7.358 0.227 82 HE3 LYS 8 HE3 LYS 8 15.579 8.366 -0.233 83 HZ1 LYS 8 HZ1 LYS 8 15.368 5.458 -0.810 84 HZ2 LYS 8 HZ2 LYS 8 16.631 6.413 -1.220 85 HZ3 LYS 8 HZ3 LYS 8 15.169 6.658 -1.895 86 H LYS 9 H LYS 9 16.008 8.766 4.463 87 HA LYS 9 HA LYS 9 13.120 8.603 5.322 88 HB2 LYS 9 HB2 LYS 9 15.139 10.719 6.168 89 HB3 LYS 9 HB3 LYS 9 13.435 10.686 6.618 90 HG2 LYS 9 HG2 LYS 9 15.470 8.551 7.407 91 HG3 LYS 9 HG3 LYS 9 15.022 9.928 8.402 92 HD2 LYS 9 HD2 LYS 9 12.770 9.140 8.697 93 HD3 LYS 9 HD3 LYS 9 12.949 7.930 7.427 94 HE2 LYS 9 HE2 LYS 9 13.020 6.844 9.582 95 HE3 LYS 9 HE3 LYS 9 14.554 6.658 8.734 96 HZ1 LYS 9 HZ1 LYS 9 14.066 8.652 10.890 97 HZ2 LYS 9 HZ2 LYS 9 15.495 8.399 10.143 98 HZ3 LYS 9 HZ3 LYS 9 14.855 7.238 11.092 99 H SER 10 H SER 10 11.707 10.192 4.571 100 HA SER 10 HA SER 10 12.554 12.153 2.561 101 HB2 SER 10 HB2 SER 10 12.354 9.980 1.287 102 HB3 SER 10 HB3 SER 10 10.656 9.902 1.777 103 HG SER 10 HG SER 10 11.960 11.739 0.046 104 H THR 11 H THR 11 10.447 13.198 1.611 105 HA THR 11 HA THR 11 8.146 13.121 3.417 106 HB THR 11 HB THR 11 9.335 15.848 2.848 107 HG1 THR 11 HG1 THR 11 9.806 14.070 4.969 108 HG21 THR 11 HG21 THR 11 7.366 14.838 4.952 109 HG22 THR 11 HG22 THR 11 6.872 15.534 3.396 110 HG23 THR 11 HG23 THR 11 7.759 16.533 4.574 111 H ASN 12 H ASN 12 6.634 12.610 1.962 112 HA ASN 12 HA ASN 12 5.865 14.312 -0.164 113 HB2 ASN 12 HB2 ASN 12 6.422 13.177 -2.153 114 HB3 ASN 12 HB3 ASN 12 7.904 13.378 -1.279 115 HD21 ASN 12 HD21 ASN 12 8.094 11.156 0.389 116 HD22 ASN 12 HD22 ASN 12 8.082 9.757 -0.668 117 H LYS 13 H LYS 13 4.338 13.067 -1.743 118 HA LYS 13 HA LYS 13 2.087 11.921 -0.292 119 HB2 LYS 13 HB2 LYS 13 1.120 11.783 -2.626 120 HB3 LYS 13 HB3 LYS 13 1.530 13.357 -2.032 121 HG2 LYS 13 HG2 LYS 13 3.803 12.406 -3.540 122 HG3 LYS 13 HG3 LYS 13 2.341 11.998 -4.415 123 HD2 LYS 13 HD2 LYS 13 2.815 14.085 -5.267 124 HD3 LYS 13 HD3 LYS 13 1.611 14.451 -4.023 125 HE2 LYS 13 HE2 LYS 13 3.438 15.076 -2.450 126 HE3 LYS 13 HE3 LYS 13 4.638 14.689 -3.705 127 HZ1 LYS 13 HZ1 LYS 13 4.225 17.042 -3.705 128 HZ2 LYS 13 HZ2 LYS 13 2.605 16.847 -3.811 129 HZ3 LYS 13 HZ3 LYS 13 3.573 16.451 -5.081 130 H PHE 14 H PHE 14 0.923 10.011 -1.301 131 HA PHE 14 HA PHE 14 2.686 7.704 -1.920 132 HB2 PHE 14 HB2 PHE 14 1.515 6.369 -0.118 133 HB3 PHE 14 HB3 PHE 14 2.692 7.548 0.424 134 HD1 PHE 14 HD2 PHE 14 -1.003 6.936 0.111 135 HD2 PHE 14 HD1 PHE 14 2.116 9.305 1.920 136 HE1 PHE 14 HE2 PHE 14 -2.685 8.054 1.562 137 HE2 PHE 14 HE1 PHE 14 0.436 10.382 3.382 138 HZ PHE 14 HZ PHE 14 -1.973 9.850 3.140 139 H CYS 15 H CYS 15 1.768 6.103 -3.065 140 HA CYS 15 HA CYS 15 -1.031 6.552 -4.032 141 HB2 CYS 15 HB2 CYS 15 0.783 6.517 -5.736 142 HB3 CYS 15 HB3 CYS 15 1.111 4.841 -5.333 143 H VAL 16 H VAL 16 -2.494 5.023 -4.001 144 HA VAL 16 HA VAL 16 -2.113 2.359 -2.736 145 HB VAL 16 HB VAL 16 -3.939 2.788 -1.074 146 HG11 VAL 16 HG11 VAL 16 -1.642 2.707 -0.307 147 HG12 VAL 16 HG12 VAL 16 -1.440 4.447 -0.609 148 HG13 VAL 16 HG13 VAL 16 -2.591 3.879 0.616 149 HG21 VAL 16 HG21 VAL 16 -3.373 5.743 -1.457 150 HG22 VAL 16 HG22 VAL 16 -4.757 4.910 -2.178 151 HG23 VAL 16 HG23 VAL 16 -4.583 4.964 -0.411 152 H THR 17 H THR 17 -4.440 1.279 -2.520 153 HA THR 17 HA THR 17 -6.110 1.986 -4.929 154 HB THR 17 HB THR 17 -5.811 -0.800 -3.811 155 HG1 THR 17 HG1 THR 17 -4.348 0.358 -5.956 156 HG21 THR 17 HG21 THR 17 -7.725 -0.380 -5.331 157 HG22 THR 17 HG22 THR 17 -6.548 -1.526 -5.988 158 HG23 THR 17 HG23 THR 17 -6.568 0.138 -6.588 159 H CYS 18 H CYS 18 -8.183 2.636 -4.385 160 HA CYS 18 HA CYS 18 -9.312 1.859 -1.762 161 HB2 CYS 18 HB2 CYS 18 -9.901 4.040 -3.729 162 HB3 CYS 18 HB3 CYS 18 -11.239 3.339 -2.832 163 H GLU 19 H GLU 19 -10.806 0.404 -1.521 164 HA GLU 19 HA GLU 19 -12.453 -0.499 -3.810 165 HB2 GLU 19 HB2 GLU 19 -10.466 -2.074 -3.444 166 HB3 GLU 19 HB3 GLU 19 -11.183 -2.478 -1.880 167 HG2 GLU 19 HG2 GLU 19 -13.339 -3.030 -3.148 168 HG3 GLU 19 HG3 GLU 19 -12.430 -2.837 -4.642 169 H ASN 20 H ASN 20 -14.437 -0.034 -3.201 170 HA ASN 20 HA ASN 20 -16.286 0.460 -1.999 171 HB2 ASN 20 HB2 ASN 20 -15.282 -1.721 -0.142 172 HB3 ASN 20 HB3 ASN 20 -16.807 -0.879 0.067 173 HD21 ASN 20 HD21 ASN 20 -15.036 -2.719 -2.521 174 HD22 ASN 20 HD22 ASN 20 -16.527 -3.451 -3.104 175 H GLN 21 H GLN 21 -14.586 2.325 -1.960 176 HA GLN 21 HA GLN 21 -14.252 4.391 -1.108 177 HB2 GLN 21 HB2 GLN 21 -16.254 3.684 1.059 178 HB3 GLN 21 HB3 GLN 21 -15.782 5.282 0.490 179 HG2 GLN 21 HG2 GLN 21 -17.653 5.147 -0.760 180 HG3 GLN 21 HG3 GLN 21 -16.632 4.218 -1.858 181 HE21 GLN 21 HE21 GLN 21 -17.818 2.461 -2.596 182 HE22 GLN 21 HE22 GLN 21 -18.934 1.565 -1.560 183 H ALA 22 H ALA 22 -12.411 2.298 -0.105 184 HA ALA 22 HA ALA 22 -11.183 3.741 2.073 185 HB1 ALA 22 HB1 ALA 22 -12.320 0.941 2.498 186 HB2 ALA 22 HB2 ALA 22 -11.287 1.840 3.646 187 HB3 ALA 22 HB3 ALA 22 -12.906 2.434 3.267 188 HA PRO 23 HA PRO 23 -7.919 1.805 -0.296 189 HB2 PRO 23 HB2 PRO 23 -5.748 2.937 0.826 190 HB3 PRO 23 HB3 PRO 23 -6.984 3.835 -0.137 191 HG2 PRO 23 HG2 PRO 23 -6.853 3.609 2.885 192 HG3 PRO 23 HG3 PRO 23 -6.950 5.096 1.893 193 HD2 PRO 23 HD2 PRO 23 -9.162 3.858 2.954 194 HD3 PRO 23 HD3 PRO 23 -9.200 4.703 1.378 195 H VAL 24 H VAL 24 -7.880 -0.326 -0.051 196 HA VAL 24 HA VAL 24 -6.723 -1.593 2.364 197 HB VAL 24 HB VAL 24 -7.975 -3.534 1.899 198 HG11 VAL 24 HG11 VAL 24 -9.252 -1.391 2.702 199 HG12 VAL 24 HG12 VAL 24 -9.991 -1.404 1.113 200 HG13 VAL 24 HG13 VAL 24 -10.190 -2.806 2.175 201 HG21 VAL 24 HG21 VAL 24 -9.410 -3.875 -0.019 202 HG22 VAL 24 HG22 VAL 24 -8.916 -2.320 -0.740 203 HG23 VAL 24 HG23 VAL 24 -7.751 -3.646 -0.579 204 H HIS 25 H HIS 25 -5.228 -0.447 -0.157 205 HA HIS 25 HA HIS 25 -3.337 -2.704 -0.288 206 HB2 HIS 25 HB2 HIS 25 -5.223 -2.768 -2.247 207 HB3 HIS 25 HB3 HIS 25 -4.110 -1.625 -2.972 208 HD1 HIS 25 HD1 HIS 25 -4.626 -5.258 -2.641 209 HD2 HIS 25 HD2 HIS 25 -1.559 -2.507 -3.530 210 HE1 HIS 25 HE1 HIS 25 -2.738 -6.608 -3.767 211 HE2 HIS 25 HE2 HIS 25 -0.862 -4.920 -4.293 212 H PHE 26 H PHE 26 -1.239 -2.051 -0.763 213 HA PHE 26 HA PHE 26 -0.755 0.882 -1.029 214 HB2 PHE 26 HB2 PHE 26 0.254 -0.166 0.944 215 HB3 PHE 26 HB3 PHE 26 1.010 -1.395 -0.059 216 HD1 PHE 26 HD2 PHE 26 0.794 2.387 0.098 217 HD2 PHE 26 HD1 PHE 26 3.302 -1.085 -0.486 218 HE1 PHE 26 HE2 PHE 26 2.748 3.856 -0.254 219 HE2 PHE 26 HE1 PHE 26 5.251 0.392 -0.852 220 HZ PHE 26 HZ PHE 26 4.980 2.859 -0.752 221 H VAL 27 H VAL 27 0.191 1.742 -2.788 222 HA VAL 27 HA VAL 27 1.044 -0.121 -4.987 223 HB VAL 27 HB VAL 27 0.036 2.721 -5.179 224 HG11 VAL 27 HG11 VAL 27 1.616 2.258 -6.978 225 HG12 VAL 27 HG12 VAL 27 0.785 0.731 -7.355 226 HG13 VAL 27 HG13 VAL 27 -0.029 2.287 -7.623 227 HG21 VAL 27 HG21 VAL 27 -1.936 1.790 -6.244 228 HG22 VAL 27 HG22 VAL 27 -1.301 0.135 -6.060 229 HG23 VAL 27 HG23 VAL 27 -1.770 1.084 -4.636 230 H GLY 28 H GLY 28 1.968 3.107 -3.558 231 HA2 GLY 28 HA2 GLY 28 4.768 2.597 -3.698 232 HA3 GLY 28 HA3 GLY 28 4.265 3.411 -5.185 233 H VAL 29 H VAL 29 5.914 4.899 -4.233 234 HA VAL 29 HA VAL 29 4.693 6.937 -2.407 235 HB VAL 29 HB VAL 29 7.673 6.399 -2.455 236 HG11 VAL 29 HG11 VAL 29 5.813 7.627 -0.387 237 HG12 VAL 29 HG12 VAL 29 7.595 7.539 -0.328 238 HG13 VAL 29 HG13 VAL 29 6.788 8.524 -1.558 239 HG21 VAL 29 HG21 VAL 29 5.628 5.143 -0.573 240 HG22 VAL 29 HG22 VAL 29 6.720 4.269 -1.680 241 HG23 VAL 29 HG23 VAL 29 7.387 5.157 -0.312 242 H GLY 30 H GLY 30 4.791 9.043 -3.116 243 HA2 GLY 30 HA2 GLY 30 4.972 10.779 -4.580 244 HA3 GLY 30 HA3 GLY 30 6.565 10.151 -4.955 245 H SER 31 H SER 31 4.310 7.846 -5.847 246 HA SER 31 HA SER 31 3.453 8.650 -8.479 247 HB2 SER 31 HB2 SER 31 5.983 6.987 -8.177 248 HB3 SER 31 HB3 SER 31 4.944 6.855 -9.605 249 HG SER 31 HG SER 31 5.860 9.372 -8.713 250 H CYS 32 H CYS 32 2.453 6.810 -9.612 251 HA CYS 32 HA CYS 32 1.690 4.493 -7.892 252 HB2 CYS 32 HB2 CYS 32 0.280 5.764 -10.261 253 HB3 CYS 32 HB3 CYS 32 -0.242 4.304 -9.435 254 H GLY 33 H GLY 33 2.695 2.661 -8.459 255 HA2 GLY 33 HA2 GLY 33 4.270 2.265 -10.844 256 HA3 GLY 33 HA3 GLY 33 3.782 1.018 -9.690 257 H SER 34 H SER 34 3.887 0.952 -12.636 258 HA SER 34 HA SER 34 1.194 0.916 -13.712 259 HB2 SER 34 HB2 SER 34 3.289 1.254 -15.032 260 HB3 SER 34 HB3 SER 34 3.701 -0.449 -14.778 261 HG SER 34 HG SER 34 2.035 -1.052 -16.064 262 H GLY 35 H GLY 35 0.030 -0.913 -14.460 263 HA2 GLY 35 HA2 GLY 35 0.056 -3.334 -12.761 264 HA3 GLY 35 HA3 GLY 35 -1.112 -2.920 -14.020 265 H GLY 36 H GLY 36 -0.600 -5.371 -14.231 266 HA2 GLY 36 HA2 GLY 36 -0.112 -6.888 -15.931 267 HA3 GLY 36 HA3 GLY 36 0.866 -5.671 -16.738 268 H SER 37 H SER 37 1.409 -6.771 -13.409 269 HA SER 37 HA SER 37 4.013 -8.021 -14.195 270 HB2 SER 37 HB2 SER 37 4.771 -7.389 -11.916 271 HB3 SER 37 HB3 SER 37 4.349 -6.009 -12.934 272 HG SER 37 HG SER 37 2.670 -7.164 -10.919 273 H GLY 38 H GLY 38 4.806 -9.766 -12.902 274 HA2 GLY 38 HA2 GLY 38 2.716 -11.728 -12.139 275 HA3 GLY 38 HA3 GLY 38 4.401 -12.052 -12.506 276 H ILE 39 H ILE 39 4.311 -9.494 -10.361 277 HA ILE 39 HA ILE 39 5.584 -10.922 -8.236 278 HB ILE 39 HB ILE 39 4.307 -8.173 -8.162 279 HG12 ILE 39 HG12 ILE 39 7.253 -8.783 -8.696 280 HG13 ILE 39 HG13 ILE 39 6.103 -8.550 -10.004 281 HG21 ILE 39 HG21 ILE 39 5.970 -7.721 -6.334 282 HG22 ILE 39 HG22 ILE 39 4.805 -8.948 -5.900 283 HG23 ILE 39 HG23 ILE 39 6.455 -9.425 -6.387 284 HD11 ILE 39 HD11 ILE 39 7.246 -6.484 -9.664 285 HD12 ILE 39 HD12 ILE 39 5.557 -6.281 -9.162 286 HD13 ILE 39 HD13 ILE 39 6.841 -6.453 -7.942 287 H PHE 40 H PHE 40 4.869 -11.758 -6.420 288 HA PHE 40 HA PHE 40 2.095 -11.386 -5.419 289 HB2 PHE 40 HB2 PHE 40 2.382 -13.357 -7.137 290 HB3 PHE 40 HB3 PHE 40 3.131 -14.203 -5.798 291 HD1 PHE 40 HD1 PHE 40 0.045 -12.412 -6.922 292 HD2 PHE 40 HD2 PHE 40 1.707 -15.211 -4.094 293 HE1 PHE 40 HE1 PHE 40 -2.245 -12.983 -6.141 294 HE2 PHE 40 HE2 PHE 40 -0.584 -15.782 -3.316 295 HZ PHE 40 HZ PHE 40 -2.561 -14.667 -4.335 296 H LEU 41 H LEU 41 4.893 -10.738 -4.403 297 HA LEU 41 HA LEU 41 5.264 -12.603 -2.113 298 HB2 LEU 41 HB2 LEU 41 6.946 -10.447 -3.439 299 HB3 LEU 41 HB3 LEU 41 7.314 -10.967 -1.812 300 HG LEU 41 HG LEU 41 8.729 -12.057 -3.440 301 HD11 LEU 41 HD11 LEU 41 8.186 -13.199 -1.309 302 HD12 LEU 41 HD12 LEU 41 8.576 -14.321 -2.622 303 HD13 LEU 41 HD13 LEU 41 6.888 -14.093 -2.131 304 HD21 LEU 41 HD21 LEU 41 7.973 -13.753 -4.978 305 HD22 LEU 41 HD22 LEU 41 7.153 -12.227 -5.345 306 HD23 LEU 41 HD23 LEU 41 6.285 -13.529 -4.487 307 H GLU 42 H GLU 42 3.674 -9.734 -2.760 308 HA GLU 42 HA GLU 42 4.022 -8.317 -0.268 309 HB2 GLU 42 HB2 GLU 42 2.989 -7.798 -2.850 310 HB3 GLU 42 HB3 GLU 42 1.565 -7.761 -1.830 311 HG2 GLU 42 HG2 GLU 42 2.513 -5.567 -2.094 312 HG3 GLU 42 HG3 GLU 42 2.622 -6.069 -0.401 313 H THR 43 H THR 43 2.109 -7.667 1.040 314 HA THR 43 HA THR 43 0.858 -9.978 2.304 315 HB THR 43 HB THR 43 0.282 -7.014 2.656 316 HG1 THR 43 HG1 THR 43 2.441 -8.289 3.159 317 HG21 THR 43 HG21 THR 43 -0.506 -7.663 4.919 318 HG22 THR 43 HG22 THR 43 -0.330 -9.377 4.487 319 HG23 THR 43 HG23 THR 43 -1.529 -8.360 3.654 320 H SER 44 H SER 44 -0.228 -7.642 -0.077 321 HA SER 44 HA SER 44 -2.188 -7.184 -1.116 322 HB2 SER 44 HB2 SER 44 -1.303 -9.261 -2.216 323 HB3 SER 44 HB3 SER 44 -2.521 -10.182 -1.313 324 HG SER 44 HG SER 44 -3.323 -9.535 -3.354 325 H LEU 45 H LEU 45 -3.015 -6.286 0.870 326 HA LEU 45 HA LEU 45 -4.905 -7.667 2.537 327 HB2 LEU 45 HB2 LEU 45 -4.244 -4.717 2.178 328 HB3 LEU 45 HB3 LEU 45 -5.429 -5.291 3.318 329 HG LEU 45 HG LEU 45 -3.290 -6.893 4.002 330 HD11 LEU 45 HD11 LEU 45 -1.283 -5.447 4.080 331 HD12 LEU 45 HD12 LEU 45 -2.136 -4.179 3.184 332 HD13 LEU 45 HD13 LEU 45 -1.759 -5.726 2.400 333 HD21 LEU 45 HD21 LEU 45 -4.587 -5.616 5.601 334 HD22 LEU 45 HD22 LEU 45 -3.943 -4.101 4.961 335 HD23 LEU 45 HD23 LEU 45 -2.877 -5.234 5.833 336 H SER 46 H SER 46 -5.389 -6.888 -0.602 337 HA SER 46 HA SER 46 -8.005 -5.772 -0.764 338 HB2 SER 46 HB2 SER 46 -6.559 -7.691 -2.621 339 HB3 SER 46 HB3 SER 46 -8.063 -6.844 -3.028 340 HG SER 46 HG SER 46 -7.036 -4.987 -3.162 341 H ALA 47 H ALA 47 -7.062 -9.133 -0.202 342 HA ALA 47 HA ALA 47 -9.937 -9.885 0.104 343 HB1 ALA 47 HB1 ALA 47 -9.503 -11.975 -1.109 344 HB2 ALA 47 HB2 ALA 47 -9.231 -10.559 -2.141 345 HB3 ALA 47 HB3 ALA 47 -7.844 -11.444 -1.465 346 H GLY 48 H GLY 48 -10.227 -10.471 2.106 347 HA2 GLY 48 HA2 GLY 48 -9.986 -11.896 3.990 348 HA3 GLY 48 HA3 GLY 48 -8.321 -12.246 3.548 349 H SER 49 H SER 49 -8.644 -8.905 3.300 350 HA SER 49 HA SER 49 -8.333 -8.294 6.175 351 HB2 SER 49 HB2 SER 49 -6.432 -7.167 4.115 352 HB3 SER 49 HB3 SER 49 -6.387 -6.952 5.857 353 HG SER 49 HG SER 49 -6.023 -9.291 5.975 354 H ASP 50 H ASP 50 -7.780 -5.540 5.874 355 HA ASP 50 HA ASP 50 -9.848 -4.344 4.237 356 HB2 ASP 50 HB2 ASP 50 -10.799 -5.388 6.563 357 HB3 ASP 50 HB3 ASP 50 -10.181 -3.871 7.199 358 H TRP 51 H TRP 51 -9.959 -1.997 4.808 359 HA TRP 51 HA TRP 51 -7.462 -0.571 4.905 360 HB2 TRP 51 HB2 TRP 51 -9.068 0.721 3.983 361 HB3 TRP 51 HB3 TRP 51 -10.365 0.032 4.927 362 HD1 TRP 51 HD1 TRP 51 -11.315 1.513 6.818 363 HE1 TRP 51 HE1 TRP 51 -10.599 3.683 7.975 364 HE3 TRP 51 HE3 TRP 51 -6.643 2.051 4.788 365 HZ2 TRP 51 HZ2 TRP 51 -8.374 5.483 7.942 366 HZ3 TRP 51 HZ3 TRP 51 -5.235 3.997 5.386 367 HH2 TRP 51 HH2 TRP 51 -6.099 5.751 6.926 368 H LEU 52 H LEU 52 -9.772 -1.580 7.385 369 HA LEU 52 HA LEU 52 -8.805 -0.090 9.572 370 HB2 LEU 52 HB2 LEU 52 -10.896 -1.852 9.083 371 HB3 LEU 52 HB3 LEU 52 -9.906 -2.783 10.178 372 HG LEU 52 HG LEU 52 -11.626 -1.598 11.371 373 HD11 LEU 52 HD11 LEU 52 -9.424 -1.772 12.520 374 HD12 LEU 52 HD12 LEU 52 -10.399 -0.395 13.062 375 HD13 LEU 52 HD13 LEU 52 -9.031 -0.127 11.966 376 HD21 LEU 52 HD21 LEU 52 -10.522 1.036 10.319 377 HD22 LEU 52 HD22 LEU 52 -11.880 0.807 11.435 378 HD23 LEU 52 HD23 LEU 52 -12.009 0.237 9.763 379 H THR 53 H THR 53 -7.578 -3.164 8.256 380 HA THR 53 HA THR 53 -5.499 -3.295 10.378 381 HB THR 53 HB THR 53 -4.941 -5.482 9.288 382 HG1 THR 53 HG1 THR 53 -6.678 -6.366 8.068 383 HG21 THR 53 HG21 THR 53 -6.831 -6.668 10.304 384 HG22 THR 53 HG22 THR 53 -7.798 -5.178 10.315 385 HG23 THR 53 HG23 THR 53 -6.345 -5.310 11.331 386 H PHE 54 H PHE 54 -5.815 -2.522 6.965 387 HA PHE 54 HA PHE 54 -3.128 -2.465 6.108 388 HB2 PHE 54 HB2 PHE 54 -5.012 -2.018 4.632 389 HB3 PHE 54 HB3 PHE 54 -5.471 -0.622 5.584 390 HD1 PHE 54 HD2 PHE 54 -4.397 1.523 5.399 391 HD2 PHE 54 HD1 PHE 54 -3.114 -1.848 3.043 392 HE1 PHE 54 HE2 PHE 54 -3.160 3.062 3.889 393 HE2 PHE 54 HE1 PHE 54 -1.849 -0.317 1.566 394 HZ PHE 54 HZ PHE 54 -1.860 2.142 1.992 395 H GLN 55 H GLN 55 -4.825 -0.031 8.048 396 HA GLN 55 HA GLN 55 -2.703 1.849 8.328 397 HB2 GLN 55 HB2 GLN 55 -4.961 1.048 10.194 398 HB3 GLN 55 HB3 GLN 55 -3.856 2.384 10.556 399 HG2 GLN 55 HG2 GLN 55 -4.607 3.696 8.759 400 HG3 GLN 55 HG3 GLN 55 -5.287 2.310 7.895 401 HE21 GLN 55 HE21 GLN 55 -7.260 1.398 8.536 402 HE22 GLN 55 HE22 GLN 55 -8.360 2.343 9.517 403 H LYS 56 H LYS 56 -3.641 -0.665 10.660 404 HA LYS 56 HA LYS 56 -1.332 -0.484 12.346 405 HB2 LYS 56 HB2 LYS 56 -3.039 -2.958 11.803 406 HB3 LYS 56 HB3 LYS 56 -1.771 -2.858 13.010 407 HG2 LYS 56 HG2 LYS 56 -3.540 -2.451 14.336 408 HG3 LYS 56 HG3 LYS 56 -3.086 -0.790 13.951 409 HD2 LYS 56 HD2 LYS 56 -4.862 -0.697 12.236 410 HD3 LYS 56 HD3 LYS 56 -5.262 -2.397 12.521 411 HE2 LYS 56 HE2 LYS 56 -5.522 -0.159 14.579 412 HE3 LYS 56 HE3 LYS 56 -6.833 -0.752 13.554 413 HZ1 LYS 56 HZ1 LYS 56 -6.912 -1.825 15.707 414 HZ2 LYS 56 HZ2 LYS 56 -5.388 -2.384 15.573 415 HZ3 LYS 56 HZ3 LYS 56 -6.561 -2.953 14.584 416 H LYS 57 H LYS 57 -1.607 -2.143 9.305 417 HA LYS 57 HA LYS 57 0.737 -3.762 9.468 418 HB2 LYS 57 HB2 LYS 57 -1.219 -4.012 7.926 419 HB3 LYS 57 HB3 LYS 57 -0.599 -2.718 6.930 420 HG2 LYS 57 HG2 LYS 57 1.207 -5.057 7.588 421 HG3 LYS 57 HG3 LYS 57 -0.120 -5.311 6.456 422 HD2 LYS 57 HD2 LYS 57 0.672 -3.589 4.961 423 HD3 LYS 57 HD3 LYS 57 1.967 -3.127 6.066 424 HE2 LYS 57 HE2 LYS 57 1.697 -5.900 4.850 425 HE3 LYS 57 HE3 LYS 57 2.624 -4.600 4.097 426 HZ1 LYS 57 HZ1 LYS 57 4.038 -6.030 5.441 427 HZ2 LYS 57 HZ2 LYS 57 3.181 -5.717 6.793 428 HZ3 LYS 57 HZ3 LYS 57 4.039 -4.520 6.070 429 H HIS 58 H HIS 58 0.471 -0.444 8.038 430 HA HIS 58 HA HIS 58 3.382 -0.090 8.514 431 HB2 HIS 58 HB2 HIS 58 4.004 0.266 6.252 432 HB3 HIS 58 HB3 HIS 58 3.219 -1.290 6.312 433 HD1 HIS 58 HD1 HIS 58 3.118 1.924 4.571 434 HD2 HIS 58 HD2 HIS 58 0.321 -1.067 5.623 435 HE1 HIS 58 HE1 HIS 58 0.942 2.369 3.190 436 HE2 HIS 58 HE2 HIS 58 -0.728 0.531 3.862 437 H ILE 59 H ILE 59 0.861 1.354 9.317 438 HA ILE 59 HA ILE 59 1.730 4.121 8.555 439 HB ILE 59 HB ILE 59 -1.171 3.261 8.787 440 HG12 ILE 59 HG12 ILE 59 0.657 3.664 6.409 441 HG13 ILE 59 HG13 ILE 59 -0.445 2.338 6.743 442 HG21 ILE 59 HG21 ILE 59 -0.019 5.943 7.946 443 HG22 ILE 59 HG22 ILE 59 -1.738 5.515 8.064 444 HG23 ILE 59 HG23 ILE 59 -0.786 5.606 9.517 445 HD11 ILE 59 HD11 ILE 59 -1.217 5.142 5.839 446 HD12 ILE 59 HD12 ILE 59 -1.237 3.661 4.882 447 HD13 ILE 59 HD13 ILE 59 -2.372 3.840 6.247 448 H THR 60 H THR 60 1.580 5.650 10.150 449 HA THR 60 HA THR 60 0.535 4.836 12.813 450 HB THR 60 HB THR 60 2.813 4.021 12.884 451 HG1 THR 60 HG1 THR 60 3.413 5.188 14.740 452 HG21 THR 60 HG21 THR 60 3.936 5.563 11.296 453 HG22 THR 60 HG22 THR 60 4.746 5.508 12.865 454 HG23 THR 60 HG23 THR 60 3.724 6.901 12.448 455 H ASN 61 H ASN 61 0.273 6.461 14.333 456 HA ASN 61 HA ASN 61 -0.034 9.238 13.321 457 HB2 ASN 61 HB2 ASN 61 -1.072 7.735 15.769 458 HB3 ASN 61 HB3 ASN 61 -1.228 9.468 15.552 459 HD21 ASN 61 HD21 ASN 61 -2.593 6.388 14.649 460 HD22 ASN 61 HD22 ASN 61 -3.800 7.086 13.578 461 H THR 62 H THR 62 2.404 7.419 14.627 462 HA THR 62 HA THR 62 3.998 9.741 15.259 463 HB THR 62 HB THR 62 2.960 9.657 17.389 464 HG1 THR 62 HG1 THR 62 4.794 9.344 18.650 465 HG21 THR 62 HG21 THR 62 3.874 6.791 17.827 466 HG22 THR 62 HG22 THR 62 2.204 7.262 17.445 467 HG23 THR 62 HG23 THR 62 2.971 7.834 18.935 468 H ARG 63 H ARG 63 5.656 9.214 13.956 469 HA ARG 63 HA ARG 63 6.737 6.511 13.656 470 HB2 ARG 63 HB2 ARG 63 7.013 8.203 11.843 471 HB3 ARG 63 HB3 ARG 63 7.978 9.195 12.958 472 HG2 ARG 63 HG2 ARG 63 9.554 7.116 13.109 473 HG3 ARG 63 HG3 ARG 63 8.566 6.443 11.802 474 HD2 ARG 63 HD2 ARG 63 10.467 7.392 10.809 475 HD3 ARG 63 HD3 ARG 63 9.137 8.488 10.436 476 HE ARG 63 HE ARG 63 11.383 8.925 12.377 477 HH11 ARG 63 HH11 ARG 63 8.598 10.406 10.883 478 HH12 ARG 63 HH12 ARG 63 9.092 12.011 11.360 479 HH21 ARG 63 HH21 ARG 63 11.945 10.978 12.960 480 HH22 ARG 63 HH22 ARG 63 10.920 12.307 12.522 481 H ASP 64 H ASP 64 7.619 5.522 15.307 482 HA ASP 64 HA ASP 64 9.728 6.889 16.946 483 HB2 ASP 64 HB2 ASP 64 7.537 6.410 18.109 484 HB3 ASP 64 HB3 ASP 64 7.837 4.692 17.852 485 H VAL 65 H VAL 65 9.564 4.870 14.497 486 HA VAL 65 HA VAL 65 11.005 2.522 15.383 487 HB VAL 65 HB VAL 65 9.451 2.469 13.514 488 HG11 VAL 65 HG11 VAL 65 10.043 3.348 11.293 489 HG12 VAL 65 HG12 VAL 65 9.843 4.651 12.463 490 HG13 VAL 65 HG13 VAL 65 11.472 4.149 11.961 491 HG21 VAL 65 HG21 VAL 65 11.423 0.872 13.691 492 HG22 VAL 65 HG22 VAL 65 10.643 1.003 12.119 493 HG23 VAL 65 HG23 VAL 65 12.178 1.835 12.384 494 H ASP 66 H ASP 66 13.080 1.893 15.012 495 HA ASP 66 HA ASP 66 15.079 3.825 13.907 496 HB2 ASP 66 HB2 ASP 66 14.997 3.747 16.442 497 HB3 ASP 66 HB3 ASP 66 15.490 2.059 16.344 498 H CYS 67 H CYS 67 13.632 1.045 13.263 499 HA CYS 67 HA CYS 67 14.039 -1.072 12.560 500 HB2 CYS 67 HB2 CYS 67 15.866 0.564 10.818 501 HB3 CYS 67 HB3 CYS 67 15.423 -1.120 10.479 502 H ASP 68 H ASP 68 14.782 -1.280 14.746 503 HA ASP 68 HA ASP 68 17.404 -2.568 15.134 504 HB2 ASP 68 HB2 ASP 68 17.695 -0.060 15.305 505 HB3 ASP 68 HB3 ASP 68 16.550 -0.057 16.644 506 H ASN 69 H ASN 69 14.422 -1.311 16.671 507 HA ASN 69 HA ASN 69 14.406 -3.500 18.667 508 HB2 ASN 69 HB2 ASN 69 13.104 -1.993 20.060 509 HB3 ASN 69 HB3 ASN 69 14.674 -1.317 19.631 510 HD21 ASN 69 HD21 ASN 69 14.762 0.543 18.384 511 HD22 ASN 69 HD22 ASN 69 13.307 1.457 17.971 512 H ILE 70 H ILE 70 12.948 -2.813 15.767 513 HA ILE 70 HA ILE 70 10.187 -3.164 16.221 514 HB ILE 70 HB ILE 70 9.990 -3.623 13.868 515 HG12 ILE 70 HG12 ILE 70 12.994 -4.125 13.933 516 HG13 ILE 70 HG13 ILE 70 11.703 -5.201 13.376 517 HG21 ILE 70 HG21 ILE 70 10.439 -1.327 14.781 518 HG22 ILE 70 HG22 ILE 70 12.142 -1.520 14.307 519 HG23 ILE 70 HG23 ILE 70 10.856 -1.535 13.080 520 HD11 ILE 70 HD11 ILE 70 12.696 -2.680 12.042 521 HD12 ILE 70 HD12 ILE 70 12.833 -4.348 11.453 522 HD13 ILE 70 HD13 ILE 70 11.236 -3.557 11.519 523 H MET 71 H MET 71 12.578 -5.449 16.636 524 HA MET 71 HA MET 71 11.188 -7.919 16.186 525 HB2 MET 71 HB2 MET 71 12.734 -8.964 17.658 526 HB3 MET 71 HB3 MET 71 13.579 -7.745 16.726 527 HG2 MET 71 HG2 MET 71 14.489 -7.489 18.818 528 HG3 MET 71 HG3 MET 71 13.295 -6.196 18.784 529 HE1 MET 71 HE1 MET 71 13.604 -5.982 21.444 530 HE2 MET 71 HE2 MET 71 13.453 -7.357 22.561 531 HE3 MET 71 HE3 MET 71 14.793 -7.307 21.396 532 H SER 72 H SER 72 10.708 -5.503 18.660 533 HA SER 72 HA SER 72 8.918 -7.186 20.292 534 HB2 SER 72 HB2 SER 72 10.575 -5.461 21.173 535 HB3 SER 72 HB3 SER 72 9.475 -4.215 20.564 536 HG SER 72 HG SER 72 7.824 -5.253 21.889 537 H THR 73 H THR 73 8.447 -5.634 17.401 538 HA THR 73 HA THR 73 5.617 -4.802 17.965 539 HB THR 73 HB THR 73 5.677 -3.348 16.105 540 HG1 THR 73 HG1 THR 73 8.183 -4.526 15.541 541 HG21 THR 73 HG21 THR 73 6.731 -2.358 18.100 542 HG22 THR 73 HG22 THR 73 7.419 -1.725 16.592 543 HG23 THR 73 HG23 THR 73 8.326 -2.913 17.545 544 H ASN 74 H ASN 74 4.319 -4.958 15.723 545 HA ASN 74 HA ASN 74 4.254 -7.753 14.959 546 HB2 ASN 74 HB2 ASN 74 2.371 -7.205 13.668 547 HB3 ASN 74 HB3 ASN 74 2.262 -6.274 15.158 548 HD21 ASN 74 HD21 ASN 74 2.071 -3.970 14.970 549 HD22 ASN 74 HD22 ASN 74 2.090 -3.220 13.377 550 H LEU 75 H LEU 75 6.149 -5.150 13.793 551 HA LEU 75 HA LEU 75 6.541 -6.110 11.074 552 HB2 LEU 75 HB2 LEU 75 7.984 -4.008 12.744 553 HB3 LEU 75 HB3 LEU 75 8.234 -4.277 11.051 554 HG LEU 75 HG LEU 75 6.948 -2.432 11.037 555 HD11 LEU 75 HD11 LEU 75 4.864 -4.602 10.713 556 HD12 LEU 75 HD12 LEU 75 6.044 -4.097 9.482 557 HD13 LEU 75 HD13 LEU 75 4.810 -2.964 10.061 558 HD21 LEU 75 HD21 LEU 75 4.985 -3.539 13.056 559 HD22 LEU 75 HD22 LEU 75 4.953 -1.946 12.293 560 HD23 LEU 75 HD23 LEU 75 6.277 -2.364 13.391 561 H PHE 76 H PHE 76 7.544 -7.664 13.685 562 HA PHE 76 HA PHE 76 10.355 -7.891 13.612 563 HB2 PHE 76 HB2 PHE 76 10.075 -9.567 15.215 564 HB3 PHE 76 HB3 PHE 76 8.780 -8.426 15.514 565 HD1 PHE 76 HD2 PHE 76 6.403 -9.071 14.556 566 HD2 PHE 76 HD1 PHE 76 9.662 -11.858 14.928 567 HE1 PHE 76 HE2 PHE 76 4.792 -10.949 14.473 568 HE2 PHE 76 HE1 PHE 76 8.046 -13.746 14.854 569 HZ PHE 76 HZ PHE 76 5.609 -13.295 14.628 570 H HIS 77 H HIS 77 8.270 -9.005 11.319 571 HA HIS 77 HA HIS 77 8.996 -11.684 10.814 572 HB2 HIS 77 HB2 HIS 77 6.965 -10.390 10.038 573 HB3 HIS 77 HB3 HIS 77 7.966 -9.649 8.795 574 HD1 HIS 77 HD1 HIS 77 6.787 -13.199 9.880 575 HD2 HIS 77 HD2 HIS 77 8.170 -10.987 6.555 576 HE1 HIS 77 HE1 HIS 77 6.607 -14.761 7.844 577 HE2 HIS 77 HE2 HIS 77 7.433 -13.410 5.810 578 H CYS 78 H CYS 78 11.141 -9.241 10.552 579 HA CYS 78 HA CYS 78 13.082 -8.751 9.408 580 HB2 CYS 78 HB2 CYS 78 13.533 -11.072 10.339 581 HB3 CYS 78 HB3 CYS 78 13.237 -11.681 8.717 582 H LYS 79 H LYS 79 10.678 -8.439 7.925 583 HA LYS 79 HA LYS 79 10.937 -9.254 5.174 584 HB2 LYS 79 HB2 LYS 79 9.266 -7.385 4.746 585 HB3 LYS 79 HB3 LYS 79 8.796 -8.689 5.815 586 HG2 LYS 79 HG2 LYS 79 7.957 -6.702 6.752 587 HG3 LYS 79 HG3 LYS 79 9.243 -7.260 7.800 588 HD2 LYS 79 HD2 LYS 79 10.243 -5.385 5.763 589 HD3 LYS 79 HD3 LYS 79 8.883 -4.705 6.619 590 HE2 LYS 79 HE2 LYS 79 11.369 -5.850 7.989 591 HE3 LYS 79 HE3 LYS 79 11.175 -4.156 7.551 592 HZ1 LYS 79 HZ1 LYS 79 10.522 -4.391 9.798 593 HZ2 LYS 79 HZ2 LYS 79 9.537 -5.651 9.529 594 HZ3 LYS 79 HZ3 LYS 79 9.124 -4.152 8.970 595 H ASP 80 H ASP 80 11.422 -8.010 3.344 596 HA ASP 80 HA ASP 80 14.069 -7.047 3.415 597 HB2 ASP 80 HB2 ASP 80 11.961 -6.731 1.241 598 HB3 ASP 80 HB3 ASP 80 13.686 -6.455 1.023 599 H LYS 81 H LYS 81 11.075 -5.212 3.377 600 HA LYS 81 HA LYS 81 12.312 -2.853 4.459 601 HB2 LYS 81 HB2 LYS 81 11.548 -1.320 2.559 602 HB3 LYS 81 HB3 LYS 81 12.993 -2.287 2.263 603 HG2 LYS 81 HG2 LYS 81 11.841 -3.792 0.856 604 HG3 LYS 81 HG3 LYS 81 10.245 -3.137 1.310 605 HD2 LYS 81 HD2 LYS 81 12.387 -1.514 -0.131 606 HD3 LYS 81 HD3 LYS 81 11.137 -2.446 -0.971 607 HE2 LYS 81 HE2 LYS 81 9.372 -1.163 0.260 608 HE3 LYS 81 HE3 LYS 81 10.632 -0.172 1.005 609 HZ1 LYS 81 HZ1 LYS 81 11.283 0.554 -1.234 610 HZ2 LYS 81 HZ2 LYS 81 9.711 0.907 -0.956 611 HZ3 LYS 81 HZ3 LYS 81 10.105 -0.354 -1.915 612 H ASN 82 H ASN 82 10.789 -1.167 4.963 613 HA ASN 82 HA ASN 82 7.911 -1.809 4.632 614 HB2 ASN 82 HB2 ASN 82 8.959 -2.542 6.976 615 HB3 ASN 82 HB3 ASN 82 8.846 -0.834 7.345 616 HD21 ASN 82 HD21 ASN 82 7.093 -0.784 8.790 617 HD22 ASN 82 HD22 ASN 82 5.566 -1.588 8.439 618 H THR 83 H THR 83 6.920 -0.080 3.775 619 HA THR 83 HA THR 83 8.107 2.626 3.974 620 HB THR 83 HB THR 83 5.538 1.673 2.615 621 HG1 THR 83 HG1 THR 83 6.767 1.722 0.737 622 HG21 THR 83 HG21 THR 83 5.519 3.749 1.454 623 HG22 THR 83 HG22 THR 83 7.157 4.162 1.993 624 HG23 THR 83 HG23 THR 83 5.821 4.196 3.141 625 H PHE 84 H PHE 84 7.785 3.322 6.091 626 HA PHE 84 HA PHE 84 5.120 3.153 7.345 627 HB2 PHE 84 HB2 PHE 84 7.627 4.489 8.296 628 HB3 PHE 84 HB3 PHE 84 6.097 4.528 9.152 629 HD1 PHE 84 HD2 PHE 84 5.024 2.122 9.650 630 HD2 PHE 84 HD1 PHE 84 9.199 2.950 8.951 631 HE1 PHE 84 HE2 PHE 84 5.642 0.118 10.985 632 HE2 PHE 84 HE1 PHE 84 9.806 0.830 10.108 633 HZ PHE 84 HZ PHE 84 8.030 -0.535 11.234 634 H ILE 85 H ILE 85 3.621 4.648 7.271 635 HA ILE 85 HA ILE 85 4.160 7.346 6.048 636 HB ILE 85 HB ILE 85 1.646 5.660 6.164 637 HG12 ILE 85 HG12 ILE 85 3.207 6.568 3.698 638 HG13 ILE 85 HG13 ILE 85 3.438 4.994 4.463 639 HG21 ILE 85 HG21 ILE 85 1.085 8.059 6.374 640 HG22 ILE 85 HG22 ILE 85 2.007 8.412 4.897 641 HG23 ILE 85 HG23 ILE 85 0.537 7.407 4.845 642 HD11 ILE 85 HD11 ILE 85 0.876 5.979 3.175 643 HD12 ILE 85 HD12 ILE 85 1.932 4.656 2.654 644 HD13 ILE 85 HD13 ILE 85 1.005 4.512 4.169 645 H TYR 86 H TYR 86 4.402 8.851 7.645 646 HA TYR 86 HA TYR 86 2.868 8.604 10.156 647 HB2 TYR 86 HB2 TYR 86 5.195 9.209 10.287 648 HB3 TYR 86 HB3 TYR 86 4.917 10.581 9.228 649 HD1 TYR 86 HD2 TYR 86 2.252 10.114 11.734 650 HD2 TYR 86 HD1 TYR 86 6.169 11.813 11.034 651 HE1 TYR 86 HE2 TYR 86 1.913 11.690 13.591 652 HE2 TYR 86 HE1 TYR 86 5.832 13.348 12.965 653 HH TYR 86 HH TYR 86 2.798 13.356 14.871 654 H SER 87 H SER 87 0.770 8.723 9.264 655 HA SER 87 HA SER 87 -0.186 11.517 8.820 656 HB2 SER 87 HB2 SER 87 -1.013 9.124 7.125 657 HB3 SER 87 HB3 SER 87 -1.748 10.736 7.073 658 HG SER 87 HG SER 87 -0.195 10.499 5.444 659 H ARG 88 H ARG 88 -2.421 11.836 9.198 660 HA ARG 88 HA ARG 88 -3.826 10.104 11.130 661 HB2 ARG 88 HB2 ARG 88 -4.372 12.748 9.715 662 HB3 ARG 88 HB3 ARG 88 -5.699 11.860 10.461 663 HG2 ARG 88 HG2 ARG 88 -4.500 11.785 12.609 664 HG3 ARG 88 HG3 ARG 88 -3.159 12.711 11.907 665 HD2 ARG 88 HD2 ARG 88 -4.476 14.689 11.726 666 HD3 ARG 88 HD3 ARG 88 -5.986 13.783 11.774 667 HE ARG 88 HE ARG 88 -6.018 13.874 14.051 668 HH11 ARG 88 HH11 ARG 88 -2.723 14.659 13.183 669 HH12 ARG 88 HH12 ARG 88 -2.269 14.965 14.838 670 HH21 ARG 88 HH21 ARG 88 -5.391 14.276 16.115 671 HH22 ARG 88 HH22 ARG 88 -3.758 14.761 16.453 672 HA PRO 89 HA PRO 89 -6.009 7.717 8.128 673 HB2 PRO 89 HB2 PRO 89 -8.540 7.424 9.192 674 HB3 PRO 89 HB3 PRO 89 -7.076 6.608 9.822 675 HG2 PRO 89 HG2 PRO 89 -8.379 9.148 10.822 676 HG3 PRO 89 HG3 PRO 89 -7.821 7.741 11.777 677 HD2 PRO 89 HD2 PRO 89 -6.304 9.972 11.520 678 HD3 PRO 89 HD3 PRO 89 -5.555 8.351 11.526 679 H GLU 90 H GLU 90 -7.338 10.905 8.858 680 HA GLU 90 HA GLU 90 -9.482 10.916 6.964 681 HB2 GLU 90 HB2 GLU 90 -7.930 13.145 8.310 682 HB3 GLU 90 HB3 GLU 90 -9.135 13.463 7.067 683 HG2 GLU 90 HG2 GLU 90 -10.178 13.700 9.201 684 HG3 GLU 90 HG3 GLU 90 -10.859 12.307 8.370 685 HA PRO 91 HA PRO 91 -6.713 12.911 3.649 686 HB2 PRO 91 HB2 PRO 91 -3.974 12.977 3.892 687 HB3 PRO 91 HB3 PRO 91 -5.041 14.256 4.537 688 HG2 PRO 91 HG2 PRO 91 -3.829 11.893 5.999 689 HG3 PRO 91 HG3 PRO 91 -3.855 13.613 6.510 690 HD2 PRO 91 HD2 PRO 91 -5.642 11.826 7.450 691 HD3 PRO 91 HD3 PRO 91 -6.141 13.491 7.100 692 H VAL 92 H VAL 92 -6.327 9.963 5.008 693 HA VAL 92 HA VAL 92 -5.039 8.639 2.639 694 HB VAL 92 HB VAL 92 -5.780 7.445 5.338 695 HG11 VAL 92 HG11 VAL 92 -3.976 6.517 3.046 696 HG12 VAL 92 HG12 VAL 92 -4.032 5.743 4.636 697 HG13 VAL 92 HG13 VAL 92 -5.476 5.754 3.613 698 HG21 VAL 92 HG21 VAL 92 -3.449 7.632 6.021 699 HG22 VAL 92 HG22 VAL 92 -2.998 8.370 4.475 700 HG23 VAL 92 HG23 VAL 92 -4.012 9.252 5.624 701 H LYS 93 H LYS 93 -7.830 8.155 4.828 702 HA LYS 93 HA LYS 93 -9.131 6.319 3.027 703 HB2 LYS 93 HB2 LYS 93 -9.400 6.914 5.689 704 HB3 LYS 93 HB3 LYS 93 -10.814 7.745 5.028 705 HG2 LYS 93 HG2 LYS 93 -11.431 5.546 3.878 706 HG3 LYS 93 HG3 LYS 93 -10.024 4.820 4.701 707 HD2 LYS 93 HD2 LYS 93 -11.934 4.197 5.884 708 HD3 LYS 93 HD3 LYS 93 -10.969 5.320 6.873 709 HE2 LYS 93 HE2 LYS 93 -13.332 6.291 5.341 710 HE3 LYS 93 HE3 LYS 93 -13.534 5.387 6.845 711 HZ1 LYS 93 HZ1 LYS 93 -13.350 7.800 7.295 712 HZ2 LYS 93 HZ2 LYS 93 -11.849 7.839 6.631 713 HZ3 LYS 93 HZ3 LYS 93 -12.116 6.973 7.983 714 H ALA 94 H ALA 94 -9.533 9.791 3.543 715 HA ALA 94 HA ALA 94 -11.905 10.002 1.869 716 HB1 ALA 94 HB1 ALA 94 -11.785 12.350 2.375 717 HB2 ALA 94 HB2 ALA 94 -11.429 11.443 3.859 718 HB3 ALA 94 HB3 ALA 94 -10.109 12.205 2.930 719 H ILE 95 H ILE 95 -8.645 9.712 0.974 720 HA ILE 95 HA ILE 95 -8.434 11.344 -1.323 721 HB ILE 95 HB ILE 95 -7.509 8.454 -1.091 722 HG12 ILE 95 HG12 ILE 95 -5.908 10.981 -0.468 723 HG13 ILE 95 HG13 ILE 95 -6.673 9.987 0.760 724 HG21 ILE 95 HG21 ILE 95 -5.859 9.039 -2.798 725 HG22 ILE 95 HG22 ILE 95 -7.439 9.433 -3.430 726 HG23 ILE 95 HG23 ILE 95 -6.404 10.731 -2.818 727 HD11 ILE 95 HD11 ILE 95 -4.446 9.066 -1.100 728 HD12 ILE 95 HD12 ILE 95 -4.351 9.384 0.631 729 HD13 ILE 95 HD13 ILE 95 -5.317 8.021 0.049 730 H CYS 96 H CYS 96 -10.327 8.375 -0.822 731 HA CYS 96 HA CYS 96 -11.542 8.692 -3.536 732 HB2 CYS 96 HB2 CYS 96 -12.163 6.371 -3.381 733 HB3 CYS 96 HB3 CYS 96 -10.420 6.576 -3.223 734 H LYS 97 H LYS 97 -13.780 8.295 -3.740 735 HA LYS 97 HA LYS 97 -15.561 8.327 -1.423 736 HB2 LYS 97 HB2 LYS 97 -14.823 10.770 -1.825 737 HB3 LYS 97 HB3 LYS 97 -15.697 10.692 -3.345 738 HG2 LYS 97 HG2 LYS 97 -17.146 11.714 -1.775 739 HG3 LYS 97 HG3 LYS 97 -17.789 10.084 -1.993 740 HD2 LYS 97 HD2 LYS 97 -16.749 9.372 0.142 741 HD3 LYS 97 HD3 LYS 97 -15.964 10.957 0.303 742 HE2 LYS 97 HE2 LYS 97 -18.203 12.043 0.384 743 HE3 LYS 97 HE3 LYS 97 -18.974 10.456 0.252 744 HZ1 LYS 97 HZ1 LYS 97 -17.202 11.308 2.484 745 HZ2 LYS 97 HZ2 LYS 97 -17.921 9.844 2.367 746 HZ3 LYS 97 HZ3 LYS 97 -18.825 11.188 2.566 747 H GLY 98 H GLY 98 -16.770 6.657 -2.033 748 HA2 GLY 98 HA2 GLY 98 -18.547 5.600 -3.154 749 HA3 GLY 98 HA3 GLY 98 -18.461 6.795 -4.436 750 H ILE 99 H ILE 99 -15.368 5.518 -3.933 751 HA ILE 99 HA ILE 99 -15.416 4.114 -6.475 752 HB ILE 99 HB ILE 99 -13.166 4.485 -4.465 753 HG12 ILE 99 HG12 ILE 99 -13.928 5.902 -7.065 754 HG13 ILE 99 HG13 ILE 99 -13.948 6.584 -5.443 755 HG21 ILE 99 HG21 ILE 99 -12.733 2.462 -5.801 756 HG22 ILE 99 HG22 ILE 99 -13.148 3.335 -7.306 757 HG23 ILE 99 HG23 ILE 99 -11.705 3.752 -6.370 758 HD11 ILE 99 HD11 ILE 99 -11.396 6.186 -5.397 759 HD12 ILE 99 HD12 ILE 99 -11.538 5.931 -7.147 760 HD13 ILE 99 HD13 ILE 99 -12.027 7.478 -6.433 761 H ILE 100 H ILE 100 -16.191 2.211 -6.708 762 HA ILE 100 HA ILE 100 -15.634 -0.007 -4.768 763 HB ILE 100 HB ILE 100 -17.752 -0.092 -6.932 764 HG12 ILE 100 HG12 ILE 100 -18.024 1.024 -4.111 765 HG13 ILE 100 HG13 ILE 100 -18.333 1.874 -5.628 766 HG21 ILE 100 HG21 ILE 100 -17.033 -2.233 -5.734 767 HG22 ILE 100 HG22 ILE 100 -17.608 -1.479 -4.230 768 HG23 ILE 100 HG23 ILE 100 -18.728 -1.836 -5.556 769 HD11 ILE 100 HD11 ILE 100 -20.257 0.336 -6.069 770 HD12 ILE 100 HD12 ILE 100 -20.044 -0.311 -4.420 771 HD13 ILE 100 HD13 ILE 100 -20.435 1.395 -4.655 772 H ALA 101 H ALA 101 -14.690 1.265 -7.709 773 HA ALA 101 HA ALA 101 -14.360 -1.033 -9.376 774 HB1 ALA 101 HB1 ALA 101 -14.745 1.292 -10.153 775 HB2 ALA 101 HB2 ALA 101 -13.135 1.756 -9.550 776 HB3 ALA 101 HB3 ALA 101 -13.293 0.591 -10.879 777 H SER 102 H SER 102 -12.599 -0.641 -6.671 778 HA SER 102 HA SER 102 -10.490 -0.970 -5.910 779 HB2 SER 102 HB2 SER 102 -11.136 -3.229 -6.719 780 HB3 SER 102 HB3 SER 102 -10.144 -2.947 -8.160 781 HG SER 102 HG SER 102 -9.100 -4.006 -6.292 782 H LYS 103 H LYS 103 -10.117 1.280 -6.588 783 HA LYS 103 HA LYS 103 -7.523 1.570 -7.875 784 HB2 LYS 103 HB2 LYS 103 -9.470 1.726 -9.716 785 HB3 LYS 103 HB3 LYS 103 -9.606 3.374 -9.105 786 HG2 LYS 103 HG2 LYS 103 -7.098 3.634 -9.537 787 HG3 LYS 103 HG3 LYS 103 -7.098 1.996 -10.183 788 HD2 LYS 103 HD2 LYS 103 -7.162 3.426 -12.057 789 HD3 LYS 103 HD3 LYS 103 -8.801 2.773 -11.912 790 HE2 LYS 103 HE2 LYS 103 -9.520 4.877 -10.776 791 HE3 LYS 103 HE3 LYS 103 -7.866 5.495 -10.875 792 HZ1 LYS 103 HZ1 LYS 103 -9.586 4.853 -13.214 793 HZ2 LYS 103 HZ2 LYS 103 -8.055 5.414 -13.307 794 HZ3 LYS 103 HZ3 LYS 103 -9.233 6.355 -12.686 795 H ASN 104 H ASN 104 -6.613 3.777 -7.489 796 HA ASN 104 HA ASN 104 -8.375 5.706 -6.168 797 HB2 ASN 104 HB2 ASN 104 -6.787 4.173 -4.574 798 HB3 ASN 104 HB3 ASN 104 -5.638 5.444 -4.941 799 HD21 ASN 104 HD21 ASN 104 -6.574 4.980 -2.339 800 HD22 ASN 104 HD22 ASN 104 -7.525 6.367 -1.853 801 H VAL 105 H VAL 105 -6.505 7.654 -5.619 802 HA VAL 105 HA VAL 105 -4.798 8.025 -8.011 803 HB VAL 105 HB VAL 105 -6.805 9.436 -8.267 804 HG11 VAL 105 HG11 VAL 105 -5.912 10.894 -5.746 805 HG12 VAL 105 HG12 VAL 105 -7.221 11.372 -6.843 806 HG13 VAL 105 HG13 VAL 105 -7.364 9.882 -5.904 807 HG21 VAL 105 HG21 VAL 105 -4.326 11.108 -7.740 808 HG22 VAL 105 HG22 VAL 105 -4.637 10.153 -9.210 809 HG23 VAL 105 HG23 VAL 105 -5.694 11.510 -8.788 810 H LEU 106 H LEU 106 -2.781 8.810 -7.537 811 HA LEU 106 HA LEU 106 -1.568 8.720 -5.026 812 HB2 LEU 106 HB2 LEU 106 -0.428 8.865 -7.250 813 HB3 LEU 106 HB3 LEU 106 -0.998 10.516 -7.436 814 HG LEU 106 HG LEU 106 0.427 11.137 -5.427 815 HD11 LEU 106 HD11 LEU 106 2.129 9.648 -4.648 816 HD12 LEU 106 HD12 LEU 106 1.695 8.428 -5.867 817 HD13 LEU 106 HD13 LEU 106 0.582 8.805 -4.541 818 HD21 LEU 106 HD21 LEU 106 1.793 9.929 -7.854 819 HD22 LEU 106 HD22 LEU 106 2.546 11.066 -6.711 820 HD23 LEU 106 HD23 LEU 106 1.175 11.584 -7.701 821 H THR 107 H THR 107 -1.234 10.164 -3.338 822 HA THR 107 HA THR 107 -3.039 12.373 -2.929 823 HB THR 107 HB THR 107 -0.788 12.836 -1.276 824 HG1 THR 107 HG1 THR 107 -1.426 10.107 -1.142 825 HG21 THR 107 HG21 THR 107 -3.109 13.035 -0.520 826 HG22 THR 107 HG22 THR 107 -2.273 11.846 0.500 827 HG23 THR 107 HG23 THR 107 -3.372 11.297 -0.773 828 H THR 108 H THR 108 -2.128 14.575 -2.232 829 HA THR 108 HA THR 108 -0.333 15.667 -4.391 830 HB THR 108 HB THR 108 -2.669 16.280 -4.685 831 HG1 THR 108 HG1 THR 108 -2.241 18.468 -4.948 832 HG21 THR 108 HG21 THR 108 -3.771 17.906 -3.248 833 HG22 THR 108 HG22 THR 108 -2.410 17.902 -2.113 834 HG23 THR 108 HG23 THR 108 -3.420 16.450 -2.312 835 H SER 109 H SER 109 -1.056 15.765 -0.971 836 HA SER 109 HA SER 109 0.803 17.912 -0.273 837 HB2 SER 109 HB2 SER 109 -0.657 15.887 1.465 838 HB3 SER 109 HB3 SER 109 0.133 17.366 2.032 839 HG SER 109 HG SER 109 -1.373 18.579 0.832 840 H GLU 110 H GLU 110 2.344 17.415 1.634 841 HA GLU 110 HA GLU 110 3.968 14.992 0.979 842 HB2 GLU 110 HB2 GLU 110 5.097 17.664 1.831 843 HB3 GLU 110 HB3 GLU 110 5.957 16.223 1.259 844 HG2 GLU 110 HG2 GLU 110 4.613 16.462 -0.914 845 HG3 GLU 110 HG3 GLU 110 4.154 18.067 -0.354 846 H PHE 111 H PHE 111 3.933 13.537 2.513 847 HA PHE 111 HA PHE 111 3.513 14.304 5.356 848 HB2 PHE 111 HB2 PHE 111 3.096 11.587 4.081 849 HB3 PHE 111 HB3 PHE 111 2.472 12.176 5.612 850 HD1 PHE 111 HD1 PHE 111 2.173 12.394 1.920 851 HD2 PHE 111 HD2 PHE 111 0.308 13.329 5.688 852 HE1 PHE 111 HE1 PHE 111 0.101 12.987 0.732 853 HE2 PHE 111 HE2 PHE 111 -1.790 13.903 4.496 854 HZ PHE 111 HZ PHE 111 -1.891 13.718 1.996 855 H TYR 112 H TYR 112 4.625 12.816 6.954 856 HA TYR 112 HA TYR 112 7.448 12.637 6.252 857 HB2 TYR 112 HB2 TYR 112 5.860 12.608 8.700 858 HB3 TYR 112 HB3 TYR 112 7.092 11.353 8.712 859 HD1 TYR 112 HD1 TYR 112 6.500 14.997 8.559 860 HD2 TYR 112 HD2 TYR 112 9.464 11.872 8.645 861 HE1 TYR 112 HE1 TYR 112 8.242 16.671 9.191 862 HE2 TYR 112 HE2 TYR 112 11.211 13.548 9.291 863 HH TYR 112 HH TYR 112 10.435 17.015 9.741 864 H LEU 113 H LEU 113 8.217 11.138 5.055 865 HA LEU 113 HA LEU 113 7.090 8.383 5.047 866 HB2 LEU 113 HB2 LEU 113 8.074 10.243 2.990 867 HB3 LEU 113 HB3 LEU 113 8.890 8.699 2.896 868 HG LEU 113 HG LEU 113 6.909 8.876 1.460 869 HD11 LEU 113 HD11 LEU 113 5.979 6.677 1.947 870 HD12 LEU 113 HD12 LEU 113 6.614 6.732 3.600 871 HD13 LEU 113 HD13 LEU 113 7.728 6.676 2.220 872 HD21 LEU 113 HD21 LEU 113 5.442 10.211 2.957 873 HD22 LEU 113 HD22 LEU 113 5.185 8.766 3.957 874 HD23 LEU 113 HD23 LEU 113 4.660 8.781 2.263 875 H SER 114 H SER 114 8.146 6.741 5.779 876 HA SER 114 HA SER 114 11.038 6.993 6.533 877 HB2 SER 114 HB2 SER 114 9.703 7.581 8.467 878 HB3 SER 114 HB3 SER 114 8.714 6.156 8.272 879 HG SER 114 HG SER 114 10.229 5.631 9.785 880 H ASP 115 H ASP 115 11.863 5.674 5.058 881 HA ASP 115 HA ASP 115 10.743 2.942 4.648 882 HB2 ASP 115 HB2 ASP 115 12.741 4.514 2.987 883 HB3 ASP 115 HB3 ASP 115 12.108 2.913 2.615 884 H CYS 116 H CYS 116 11.945 1.179 5.196 885 HA CYS 116 HA CYS 116 14.845 1.561 5.931 886 HB2 CYS 116 HB2 CYS 116 12.726 -0.125 7.279 887 HB3 CYS 116 HB3 CYS 116 14.428 -0.560 7.341 888 H ASN 117 H ASN 117 16.243 0.009 5.059 889 HA ASN 117 HA ASN 117 15.071 -2.009 3.180 890 HB2 ASN 117 HB2 ASN 117 17.173 0.110 2.553 891 HB3 ASN 117 HB3 ASN 117 16.920 -1.330 1.574 892 HD21 ASN 117 HD21 ASN 117 15.714 1.880 2.299 893 HD22 ASN 117 HD22 ASN 117 14.423 1.791 1.106 894 H VAL 118 H VAL 118 15.881 -3.949 3.562 895 HA VAL 118 HA VAL 118 17.816 -4.498 5.573 896 HB VAL 118 HB VAL 118 16.597 -6.128 3.359 897 HG11 VAL 118 HG11 VAL 118 17.543 -8.197 4.377 898 HG12 VAL 118 HG12 VAL 118 18.797 -7.211 3.637 899 HG13 VAL 118 HG13 VAL 118 18.589 -7.201 5.410 900 HG21 VAL 118 HG21 VAL 118 15.229 -5.591 5.307 901 HG22 VAL 118 HG22 VAL 118 15.559 -7.322 5.257 902 HG23 VAL 118 HG23 VAL 118 16.453 -6.289 6.392 903 H THR 119 H THR 119 19.924 -5.187 5.569 904 HA THR 119 HA THR 119 21.501 -4.991 3.039 905 HB THR 119 HB THR 119 21.676 -2.819 3.854 906 HG1 THR 119 HG1 THR 119 23.943 -2.720 4.046 907 HG21 THR 119 HG21 THR 119 22.701 -2.130 5.925 908 HG22 THR 119 HG22 THR 119 22.890 -3.811 6.449 909 HG23 THR 119 HG23 THR 119 21.269 -3.105 6.262 910 H SER 120 H SER 120 21.569 -7.126 3.010 911 HA SER 120 HA SER 120 22.841 -8.853 4.966 912 HB2 SER 120 HB2 SER 120 22.371 -9.249 1.983 913 HB3 SER 120 HB3 SER 120 22.892 -10.501 3.129 914 HG SER 120 HG SER 120 20.598 -10.523 2.850 Start of MODEL 19 1 H1 ARG 1 H1 ARG 1 17.934 -7.922 17.615 2 H2 ARG 1 H2 ARG 1 17.647 -6.302 17.636 3 H3 ARG 1 H3 ARG 1 16.627 -7.288 16.852 4 HA ARG 1 HA ARG 1 18.069 -6.081 15.291 5 HB2 ARG 1 HB2 ARG 1 20.201 -7.482 16.935 6 HB3 ARG 1 HB3 ARG 1 20.513 -6.924 15.293 7 HG2 ARG 1 HG2 ARG 1 20.530 -4.734 15.830 8 HG3 ARG 1 HG3 ARG 1 19.289 -4.844 17.064 9 HD2 ARG 1 HD2 ARG 1 22.068 -5.973 17.531 10 HD3 ARG 1 HD3 ARG 1 21.727 -4.245 17.717 11 HE ARG 1 HE ARG 1 19.755 -5.539 19.231 12 HH11 ARG 1 HH11 ARG 1 23.218 -5.197 19.415 13 HH12 ARG 1 HH12 ARG 1 23.216 -5.277 21.158 14 HH21 ARG 1 HH21 ARG 1 19.807 -5.670 21.420 15 HH22 ARG 1 HH22 ARG 1 21.326 -5.540 22.249 16 HA PRO 2 HA PRO 2 16.689 -10.267 14.009 17 HB2 PRO 2 HB2 PRO 2 14.761 -9.621 12.181 18 HB3 PRO 2 HB3 PRO 2 14.501 -9.579 13.948 19 HG2 PRO 2 HG2 PRO 2 15.137 -7.258 12.104 20 HG3 PRO 2 HG3 PRO 2 13.899 -7.350 13.390 21 HD2 PRO 2 HD2 PRO 2 16.336 -6.176 13.789 22 HD3 PRO 2 HD3 PRO 2 15.478 -7.063 15.080 23 H CYS 3 H CYS 3 17.017 -7.670 11.585 24 HA CYS 3 HA CYS 3 19.026 -9.166 10.031 25 HB2 CYS 3 HB2 CYS 3 16.535 -7.900 8.800 26 HB3 CYS 3 HB3 CYS 3 17.864 -8.608 7.918 27 H LYS 4 H LYS 4 20.007 -7.615 8.379 28 HA LYS 4 HA LYS 4 20.385 -4.906 9.583 29 HB2 LYS 4 HB2 LYS 4 21.926 -6.229 7.320 30 HB3 LYS 4 HB3 LYS 4 22.381 -4.778 8.202 31 HG2 LYS 4 HG2 LYS 4 22.317 -7.639 9.256 32 HG3 LYS 4 HG3 LYS 4 23.742 -6.686 8.894 33 HD2 LYS 4 HD2 LYS 4 21.744 -6.045 11.116 34 HD3 LYS 4 HD3 LYS 4 23.272 -6.904 11.320 35 HE2 LYS 4 HE2 LYS 4 24.519 -4.935 10.472 36 HE3 LYS 4 HE3 LYS 4 23.000 -4.047 10.286 37 HZ1 LYS 4 HZ1 LYS 4 24.094 -3.523 12.394 38 HZ2 LYS 4 HZ2 LYS 4 24.054 -5.082 12.866 39 HZ3 LYS 4 HZ3 LYS 4 22.658 -4.242 12.688 40 H TYR 5 H TYR 5 19.893 -3.051 8.518 41 HA TYR 5 HA TYR 5 18.767 -3.163 5.763 42 HB2 TYR 5 HB2 TYR 5 17.466 -1.693 8.073 43 HB3 TYR 5 HB3 TYR 5 16.902 -1.720 6.418 44 HD1 TYR 5 HD1 TYR 5 17.251 -3.718 9.519 45 HD2 TYR 5 HD2 TYR 5 15.564 -3.601 5.542 46 HE1 TYR 5 HE1 TYR 5 15.657 -5.535 10.133 47 HE2 TYR 5 HE2 TYR 5 13.912 -5.326 6.208 48 HH TYR 5 HH TYR 5 13.390 -6.876 7.726 49 H LYS 6 H LYS 6 18.631 -1.160 4.712 50 HA LYS 6 HA LYS 6 20.839 0.719 5.285 51 HB2 LYS 6 HB2 LYS 6 18.951 0.378 2.919 52 HB3 LYS 6 HB3 LYS 6 20.347 1.466 2.955 53 HG2 LYS 6 HG2 LYS 6 21.905 -0.279 2.840 54 HG3 LYS 6 HG3 LYS 6 20.827 -1.455 3.577 55 HD2 LYS 6 HD2 LYS 6 21.127 -2.056 1.293 56 HD3 LYS 6 HD3 LYS 6 19.449 -1.577 1.573 57 HE2 LYS 6 HE2 LYS 6 19.850 0.605 0.518 58 HE3 LYS 6 HE3 LYS 6 21.593 0.320 0.484 59 HZ1 LYS 6 HZ1 LYS 6 21.233 -1.465 -1.114 60 HZ2 LYS 6 HZ2 LYS 6 20.585 -0.086 -1.688 61 HZ3 LYS 6 HZ3 LYS 6 19.612 -1.249 -1.083 62 H LEU 7 H LEU 7 20.623 2.949 5.129 63 HA LEU 7 HA LEU 7 18.235 3.989 6.539 64 HB2 LEU 7 HB2 LEU 7 20.875 4.296 7.067 65 HB3 LEU 7 HB3 LEU 7 20.668 5.684 6.031 66 HG LEU 7 HG LEU 7 20.427 6.421 8.259 67 HD11 LEU 7 HD11 LEU 7 18.695 7.367 6.733 68 HD12 LEU 7 HD12 LEU 7 18.209 7.344 8.435 69 HD13 LEU 7 HD13 LEU 7 17.544 6.139 7.320 70 HD21 LEU 7 HD21 LEU 7 18.918 5.465 9.915 71 HD22 LEU 7 HD22 LEU 7 20.044 4.237 9.322 72 HD23 LEU 7 HD23 LEU 7 18.359 4.239 8.759 73 H LYS 8 H LYS 8 16.627 4.443 5.246 74 HA LYS 8 HA LYS 8 17.022 6.498 3.116 75 HB2 LYS 8 HB2 LYS 8 16.876 4.263 2.096 76 HB3 LYS 8 HB3 LYS 8 15.346 3.971 2.907 77 HG2 LYS 8 HG2 LYS 8 14.972 4.549 0.589 78 HG3 LYS 8 HG3 LYS 8 14.304 5.830 1.602 79 HD2 LYS 8 HD2 LYS 8 16.153 7.303 1.123 80 HD3 LYS 8 HD3 LYS 8 17.065 6.027 0.308 81 HE2 LYS 8 HE2 LYS 8 14.327 6.980 -0.644 82 HE3 LYS 8 HE3 LYS 8 15.823 7.778 -1.135 83 HZ1 LYS 8 HZ1 LYS 8 15.214 4.914 -1.645 84 HZ2 LYS 8 HZ2 LYS 8 16.588 5.683 -2.090 85 HZ3 LYS 8 HZ3 LYS 8 15.163 6.107 -2.755 86 H LYS 9 H LYS 9 15.993 8.204 3.595 87 HA LYS 9 HA LYS 9 13.196 8.162 4.703 88 HB2 LYS 9 HB2 LYS 9 15.389 10.155 5.424 89 HB3 LYS 9 HB3 LYS 9 13.732 10.198 6.019 90 HG2 LYS 9 HG2 LYS 9 15.704 7.932 6.572 91 HG3 LYS 9 HG3 LYS 9 15.441 9.292 7.643 92 HD2 LYS 9 HD2 LYS 9 13.329 8.606 8.303 93 HD3 LYS 9 HD3 LYS 9 13.022 7.678 6.844 94 HE2 LYS 9 HE2 LYS 9 15.353 6.651 8.319 95 HE3 LYS 9 HE3 LYS 9 13.911 6.689 9.333 96 HZ1 LYS 9 HZ1 LYS 9 14.175 4.589 8.028 97 HZ2 LYS 9 HZ2 LYS 9 13.938 5.407 6.637 98 HZ3 LYS 9 HZ3 LYS 9 12.749 5.324 7.774 99 H SER 10 H SER 10 11.829 9.847 4.070 100 HA SER 10 HA SER 10 12.597 11.790 2.005 101 HB2 SER 10 HB2 SER 10 10.892 9.351 1.367 102 HB3 SER 10 HB3 SER 10 10.710 10.854 0.459 103 HG SER 10 HG SER 10 13.288 9.775 0.834 104 H THR 11 H THR 11 10.504 12.979 1.221 105 HA THR 11 HA THR 11 8.316 12.918 3.200 106 HB THR 11 HB THR 11 9.589 15.593 2.546 107 HG1 THR 11 HG1 THR 11 10.106 13.771 4.618 108 HG21 THR 11 HG21 THR 11 8.192 16.358 4.383 109 HG22 THR 11 HG22 THR 11 7.699 14.691 4.765 110 HG23 THR 11 HG23 THR 11 7.165 15.446 3.256 111 H ASN 12 H ASN 12 6.639 12.515 1.928 112 HA ASN 12 HA ASN 12 5.789 14.179 -0.263 113 HB2 ASN 12 HB2 ASN 12 6.154 12.461 -2.114 114 HB3 ASN 12 HB3 ASN 12 7.570 13.299 -1.530 115 HD21 ASN 12 HD21 ASN 12 5.951 10.378 -0.041 116 HD22 ASN 12 HD22 ASN 12 7.352 9.384 -0.378 117 H LYS 13 H LYS 13 4.032 13.164 -1.550 118 HA LYS 13 HA LYS 13 1.909 11.870 -0.113 119 HB2 LYS 13 HB2 LYS 13 0.979 11.653 -2.524 120 HB3 LYS 13 HB3 LYS 13 1.203 13.234 -1.827 121 HG2 LYS 13 HG2 LYS 13 3.505 12.232 -3.422 122 HG3 LYS 13 HG3 LYS 13 2.006 12.464 -4.314 123 HD2 LYS 13 HD2 LYS 13 1.809 14.739 -3.754 124 HD3 LYS 13 HD3 LYS 13 3.052 14.660 -2.503 125 HE2 LYS 13 HE2 LYS 13 4.803 14.237 -4.167 126 HE3 LYS 13 HE3 LYS 13 3.608 14.133 -5.462 127 HZ1 LYS 13 HZ1 LYS 13 4.120 16.591 -3.864 128 HZ2 LYS 13 HZ2 LYS 13 3.100 16.472 -5.138 129 HZ3 LYS 13 HZ3 LYS 13 4.708 16.318 -5.360 130 H PHE 14 H PHE 14 0.741 10.010 -1.150 131 HA PHE 14 HA PHE 14 2.452 7.721 -1.916 132 HB2 PHE 14 HB2 PHE 14 1.239 6.304 -0.166 133 HB3 PHE 14 HB3 PHE 14 2.497 7.383 0.403 134 HD1 PHE 14 HD2 PHE 14 -1.242 7.061 0.121 135 HD2 PHE 14 HD1 PHE 14 2.073 9.024 2.068 136 HE1 PHE 14 HE2 PHE 14 -2.816 8.202 1.663 137 HE2 PHE 14 HE1 PHE 14 0.490 10.112 3.636 138 HZ PHE 14 HZ PHE 14 -1.951 9.814 3.362 139 H CYS 15 H CYS 15 1.433 6.142 -3.103 140 HA CYS 15 HA CYS 15 -1.337 6.784 -4.027 141 HB2 CYS 15 HB2 CYS 15 0.455 6.814 -5.749 142 HB3 CYS 15 HB3 CYS 15 0.763 5.114 -5.448 143 H VAL 16 H VAL 16 -2.857 5.313 -4.004 144 HA VAL 16 HA VAL 16 -2.494 2.572 -2.889 145 HB VAL 16 HB VAL 16 -4.252 2.973 -1.172 146 HG11 VAL 16 HG11 VAL 16 -1.960 2.829 -0.457 147 HG12 VAL 16 HG12 VAL 16 -1.726 4.577 -0.707 148 HG13 VAL 16 HG13 VAL 16 -2.861 3.986 0.523 149 HG21 VAL 16 HG21 VAL 16 -3.653 5.940 -1.501 150 HG22 VAL 16 HG22 VAL 16 -5.096 5.151 -2.155 151 HG23 VAL 16 HG23 VAL 16 -4.813 5.175 -0.401 152 H THR 17 H THR 17 -4.821 1.527 -2.644 153 HA THR 17 HA THR 17 -6.548 2.361 -4.968 154 HB THR 17 HB THR 17 -6.301 -0.478 -3.985 155 HG1 THR 17 HG1 THR 17 -4.789 0.726 -6.069 156 HG21 THR 17 HG21 THR 17 -8.188 0.044 -5.478 157 HG22 THR 17 HG22 THR 17 -7.033 -1.088 -6.199 158 HG23 THR 17 HG23 THR 17 -7.024 0.604 -6.713 159 H CYS 18 H CYS 18 -8.571 2.993 -4.402 160 HA CYS 18 HA CYS 18 -9.648 2.346 -1.741 161 HB2 CYS 18 HB2 CYS 18 -9.769 4.645 -2.829 162 HB3 CYS 18 HB3 CYS 18 -10.958 3.955 -3.923 163 H GLU 19 H GLU 19 -11.107 0.858 -1.384 164 HA GLU 19 HA GLU 19 -12.859 -0.159 -3.543 165 HB2 GLU 19 HB2 GLU 19 -10.798 -1.635 -3.302 166 HB3 GLU 19 HB3 GLU 19 -11.378 -2.059 -1.687 167 HG2 GLU 19 HG2 GLU 19 -13.528 -2.845 -2.697 168 HG3 GLU 19 HG3 GLU 19 -12.913 -2.443 -4.300 169 H ASN 20 H ASN 20 -14.763 0.361 -2.826 170 HA ASN 20 HA ASN 20 -16.589 0.774 -1.536 171 HB2 ASN 20 HB2 ASN 20 -15.480 -1.462 0.197 172 HB3 ASN 20 HB3 ASN 20 -17.017 -0.666 0.479 173 HD21 ASN 20 HD21 ASN 20 -15.293 -2.322 -2.270 174 HD22 ASN 20 HD22 ASN 20 -16.780 -3.096 -2.806 175 H GLN 21 H GLN 21 -14.985 2.699 -1.456 176 HA GLN 21 HA GLN 21 -14.610 4.706 -0.474 177 HB2 GLN 21 HB2 GLN 21 -16.473 3.827 1.754 178 HB3 GLN 21 HB3 GLN 21 -16.045 5.467 1.271 179 HG2 GLN 21 HG2 GLN 21 -17.999 5.394 0.143 180 HG3 GLN 21 HG3 GLN 21 -17.036 4.577 -1.088 181 HE21 GLN 21 HE21 GLN 21 -18.224 2.859 -1.891 182 HE22 GLN 21 HE22 GLN 21 -19.262 1.859 -0.872 183 H ALA 22 H ALA 22 -12.650 2.669 0.178 184 HA ALA 22 HA ALA 22 -11.313 3.897 2.392 185 HB1 ALA 22 HB1 ALA 22 -11.227 1.866 3.804 186 HB2 ALA 22 HB2 ALA 22 -12.885 2.451 3.634 187 HB3 ALA 22 HB3 ALA 22 -12.352 1.041 2.688 188 HA PRO 23 HA PRO 23 -8.174 2.137 -0.327 189 HB2 PRO 23 HB2 PRO 23 -5.952 3.204 0.753 190 HB3 PRO 23 HB3 PRO 23 -7.227 4.172 -0.083 191 HG2 PRO 23 HG2 PRO 23 -6.951 3.739 2.911 192 HG3 PRO 23 HG3 PRO 23 -7.076 5.290 2.021 193 HD2 PRO 23 HD2 PRO 23 -9.243 4.007 3.104 194 HD3 PRO 23 HD3 PRO 23 -9.354 4.942 1.579 195 H VAL 24 H VAL 24 -8.234 -0.054 -0.096 196 HA VAL 24 HA VAL 24 -7.171 -1.335 2.347 197 HB VAL 24 HB VAL 24 -8.254 -3.361 1.639 198 HG11 VAL 24 HG11 VAL 24 -10.274 -1.163 1.060 199 HG12 VAL 24 HG12 VAL 24 -10.527 -2.739 1.834 200 HG13 VAL 24 HG13 VAL 24 -9.632 -1.459 2.676 201 HG21 VAL 24 HG21 VAL 24 -9.022 -1.911 -0.939 202 HG22 VAL 24 HG22 VAL 24 -7.933 -3.310 -0.787 203 HG23 VAL 24 HG23 VAL 24 -9.644 -3.487 -0.398 204 H HIS 25 H HIS 25 -5.670 -0.215 -0.363 205 HA HIS 25 HA HIS 25 -3.765 -2.524 -0.494 206 HB2 HIS 25 HB2 HIS 25 -5.724 -2.498 -2.335 207 HB3 HIS 25 HB3 HIS 25 -4.692 -1.284 -3.061 208 HD1 HIS 25 HD1 HIS 25 -1.989 -2.247 -3.593 209 HD2 HIS 25 HD2 HIS 25 -5.285 -4.877 -3.161 210 HE1 HIS 25 HE1 HIS 25 -1.354 -4.403 -4.788 211 HE2 HIS 25 HE2 HIS 25 -3.344 -6.021 -4.523 212 H PHE 26 H PHE 26 -1.662 -1.879 -0.869 213 HA PHE 26 HA PHE 26 -1.114 1.023 -1.214 214 HB2 PHE 26 HB2 PHE 26 0.078 -0.278 0.550 215 HB3 PHE 26 HB3 PHE 26 0.732 -1.338 -0.685 216 HD1 PHE 26 HD2 PHE 26 0.492 2.450 -0.266 217 HD2 PHE 26 HD1 PHE 26 3.053 -0.985 -0.882 218 HE1 PHE 26 HE2 PHE 26 2.436 3.934 -0.523 219 HE2 PHE 26 HE1 PHE 26 4.988 0.516 -1.138 220 HZ PHE 26 HZ PHE 26 4.689 2.985 -0.978 221 H VAL 27 H VAL 27 -0.109 1.892 -3.012 222 HA VAL 27 HA VAL 27 0.440 0.038 -5.336 223 HB VAL 27 HB VAL 27 -0.330 2.963 -5.431 224 HG11 VAL 27 HG11 VAL 27 0.212 0.987 -7.684 225 HG12 VAL 27 HG12 VAL 27 -0.449 2.625 -7.883 226 HG13 VAL 27 HG13 VAL 27 1.190 2.408 -7.266 227 HG21 VAL 27 HG21 VAL 27 -2.367 2.231 -6.517 228 HG22 VAL 27 HG22 VAL 27 -1.869 0.525 -6.386 229 HG23 VAL 27 HG23 VAL 27 -2.256 1.464 -4.928 230 H GLY 28 H GLY 28 1.583 3.178 -3.939 231 HA2 GLY 28 HA2 GLY 28 4.364 2.546 -4.125 232 HA3 GLY 28 HA3 GLY 28 3.852 3.426 -5.578 233 H VAL 29 H VAL 29 5.570 4.877 -4.517 234 HA VAL 29 HA VAL 29 4.256 6.801 -2.653 235 HB VAL 29 HB VAL 29 5.772 5.162 -1.487 236 HG11 VAL 29 HG11 VAL 29 8.038 6.815 -2.653 237 HG12 VAL 29 HG12 VAL 29 8.145 5.492 -1.479 238 HG13 VAL 29 HG13 VAL 29 7.659 5.149 -3.146 239 HG21 VAL 29 HG21 VAL 29 6.166 8.116 -1.316 240 HG22 VAL 29 HG22 VAL 29 5.037 7.100 -0.395 241 HG23 VAL 29 HG23 VAL 29 6.786 6.953 -0.125 242 H GLY 30 H GLY 30 4.524 8.933 -3.023 243 HA2 GLY 30 HA2 GLY 30 5.015 10.850 -4.198 244 HA3 GLY 30 HA3 GLY 30 6.517 10.105 -4.720 245 H SER 31 H SER 31 4.050 8.097 -5.712 246 HA SER 31 HA SER 31 3.117 9.157 -8.182 247 HB2 SER 31 HB2 SER 31 4.517 7.915 -9.742 248 HB3 SER 31 HB3 SER 31 5.510 9.039 -8.813 249 HG SER 31 HG SER 31 6.507 7.005 -8.928 250 H CYS 32 H CYS 32 2.187 7.326 -9.541 251 HA CYS 32 HA CYS 32 1.347 4.981 -7.894 252 HB2 CYS 32 HB2 CYS 32 0.067 6.304 -10.298 253 HB3 CYS 32 HB3 CYS 32 -0.489 4.805 -9.567 254 H GLY 33 H GLY 33 2.461 3.225 -8.292 255 HA2 GLY 33 HA2 GLY 33 4.108 2.836 -10.696 256 HA3 GLY 33 HA3 GLY 33 4.035 1.801 -9.273 257 H SER 34 H SER 34 2.163 2.758 -12.136 258 HA SER 34 HA SER 34 0.368 0.502 -12.178 259 HB2 SER 34 HB2 SER 34 0.116 2.751 -13.376 260 HB3 SER 34 HB3 SER 34 1.256 2.132 -14.582 261 HG SER 34 HG SER 34 -1.352 1.210 -13.911 262 H GLY 35 H GLY 35 0.269 -1.086 -13.944 263 HA2 GLY 35 HA2 GLY 35 1.405 -2.414 -15.668 264 HA3 GLY 35 HA3 GLY 35 2.907 -2.272 -14.758 265 H GLY 36 H GLY 36 2.204 -4.699 -15.536 266 HA2 GLY 36 HA2 GLY 36 0.627 -6.173 -13.518 267 HA3 GLY 36 HA3 GLY 36 1.326 -6.806 -15.004 268 H SER 37 H SER 37 2.265 -5.582 -11.786 269 HA SER 37 HA SER 37 4.872 -6.794 -11.720 270 HB2 SER 37 HB2 SER 37 4.925 -6.286 -9.381 271 HB3 SER 37 HB3 SER 37 4.193 -4.930 -10.238 272 HG SER 37 HG SER 37 2.168 -5.580 -9.498 273 H GLY 38 H GLY 38 5.633 -8.511 -10.366 274 HA2 GLY 38 HA2 GLY 38 3.829 -10.908 -10.291 275 HA3 GLY 38 HA3 GLY 38 5.547 -10.924 -10.667 276 H ILE 39 H ILE 39 4.388 -8.966 -8.033 277 HA ILE 39 HA ILE 39 6.273 -10.075 -6.184 278 HB ILE 39 HB ILE 39 3.909 -8.268 -5.601 279 HG12 ILE 39 HG12 ILE 39 6.810 -7.471 -6.168 280 HG13 ILE 39 HG13 ILE 39 5.520 -7.369 -7.360 281 HG21 ILE 39 HG21 ILE 39 5.244 -7.569 -3.603 282 HG22 ILE 39 HG22 ILE 39 4.807 -9.257 -3.540 283 HG23 ILE 39 HG23 ILE 39 6.465 -8.789 -4.007 284 HD11 ILE 39 HD11 ILE 39 4.270 -5.794 -5.876 285 HD12 ILE 39 HD12 ILE 39 5.693 -5.748 -4.803 286 HD13 ILE 39 HD13 ILE 39 5.825 -5.187 -6.473 287 H PHE 40 H PHE 40 6.106 -11.527 -4.726 288 HA PHE 40 HA PHE 40 3.517 -12.860 -4.006 289 HB2 PHE 40 HB2 PHE 40 4.526 -14.998 -4.285 290 HB3 PHE 40 HB3 PHE 40 4.801 -14.067 -5.752 291 HD1 PHE 40 HD1 PHE 40 7.080 -13.303 -6.368 292 HD2 PHE 40 HD2 PHE 40 6.392 -15.626 -2.796 293 HE1 PHE 40 HE1 PHE 40 9.520 -13.719 -6.164 294 HE2 PHE 40 HE2 PHE 40 8.831 -16.044 -2.601 295 HZ PHE 40 HZ PHE 40 10.398 -15.087 -4.280 296 H LEU 41 H LEU 41 6.018 -11.136 -2.775 297 HA LEU 41 HA LEU 41 6.767 -12.468 -0.350 298 HB2 LEU 41 HB2 LEU 41 6.641 -9.490 -0.996 299 HB3 LEU 41 HB3 LEU 41 7.570 -10.224 0.304 300 HG LEU 41 HG LEU 41 8.079 -10.670 -2.675 301 HD11 LEU 41 HD11 LEU 41 8.565 -8.369 -1.972 302 HD12 LEU 41 HD12 LEU 41 10.053 -9.260 -2.332 303 HD13 LEU 41 HD13 LEU 41 9.578 -8.978 -0.642 304 HD21 LEU 41 HD21 LEU 41 8.841 -12.593 -1.340 305 HD22 LEU 41 HD22 LEU 41 9.702 -11.497 -0.231 306 HD23 LEU 41 HD23 LEU 41 10.221 -11.656 -1.924 307 H GLU 42 H GLU 42 4.028 -10.481 -1.226 308 HA GLU 42 HA GLU 42 2.634 -11.015 1.326 309 HB2 GLU 42 HB2 GLU 42 3.470 -8.302 0.291 310 HB3 GLU 42 HB3 GLU 42 1.862 -8.441 0.976 311 HG2 GLU 42 HG2 GLU 42 2.699 -9.315 3.052 312 HG3 GLU 42 HG3 GLU 42 4.375 -9.259 2.452 313 H THR 43 H THR 43 0.404 -10.667 1.227 314 HA THR 43 HA THR 43 -1.037 -11.075 -1.261 315 HB THR 43 HB THR 43 -2.041 -10.154 1.462 316 HG1 THR 43 HG1 THR 43 -2.365 -12.363 1.833 317 HG21 THR 43 HG21 THR 43 -4.137 -11.345 0.833 318 HG22 THR 43 HG22 THR 43 -3.463 -11.668 -0.781 319 HG23 THR 43 HG23 THR 43 -3.808 -10.001 -0.265 320 H SER 44 H SER 44 0.098 -8.266 0.439 321 HA SER 44 HA SER 44 -0.263 -6.040 0.389 322 HB2 SER 44 HB2 SER 44 0.669 -6.612 -1.933 323 HB3 SER 44 HB3 SER 44 -0.957 -6.249 -2.537 324 HG SER 44 HG SER 44 0.559 -4.434 -2.483 325 H LEU 45 H LEU 45 -2.490 -7.586 1.174 326 HA LEU 45 HA LEU 45 -4.742 -7.641 1.596 327 HB2 LEU 45 HB2 LEU 45 -4.160 -4.698 1.505 328 HB3 LEU 45 HB3 LEU 45 -5.696 -5.332 2.077 329 HG LEU 45 HG LEU 45 -4.067 -6.741 3.711 330 HD11 LEU 45 HD11 LEU 45 -2.472 -4.215 3.028 331 HD12 LEU 45 HD12 LEU 45 -1.911 -5.889 2.836 332 HD13 LEU 45 HD13 LEU 45 -2.194 -5.230 4.448 333 HD21 LEU 45 HD21 LEU 45 -5.785 -5.160 4.473 334 HD22 LEU 45 HD22 LEU 45 -4.753 -3.807 4.018 335 HD23 LEU 45 HD23 LEU 45 -4.293 -4.883 5.361 336 H SER 46 H SER 46 -5.423 -8.735 -0.137 337 HA SER 46 HA SER 46 -6.830 -7.235 -2.325 338 HB2 SER 46 HB2 SER 46 -4.757 -8.329 -3.096 339 HB3 SER 46 HB3 SER 46 -5.390 -9.897 -2.562 340 HG SER 46 HG SER 46 -5.788 -9.495 -4.799 341 H ALA 47 H ALA 47 -6.828 -10.473 -0.716 342 HA ALA 47 HA ALA 47 -9.788 -10.619 -1.108 343 HB1 ALA 47 HB1 ALA 47 -9.471 -13.044 -1.280 344 HB2 ALA 47 HB2 ALA 47 -8.541 -12.183 -2.520 345 HB3 ALA 47 HB3 ALA 47 -7.716 -12.847 -1.091 346 H GLY 48 H GLY 48 -10.937 -10.500 0.679 347 HA2 GLY 48 HA2 GLY 48 -11.710 -10.873 2.825 348 HA3 GLY 48 HA3 GLY 48 -10.397 -12.017 3.079 349 H SER 49 H SER 49 -9.143 -8.912 2.165 350 HA SER 49 HA SER 49 -8.155 -8.355 4.858 351 HB2 SER 49 HB2 SER 49 -6.803 -6.724 3.460 352 HB3 SER 49 HB3 SER 49 -6.545 -8.435 3.094 353 HG SER 49 HG SER 49 -8.187 -6.603 1.632 354 H ASP 50 H ASP 50 -7.901 -5.850 5.204 355 HA ASP 50 HA ASP 50 -10.078 -4.221 4.188 356 HB2 ASP 50 HB2 ASP 50 -10.966 -3.699 6.464 357 HB3 ASP 50 HB3 ASP 50 -11.308 -5.323 5.882 358 H TRP 51 H TRP 51 -9.933 -2.087 4.668 359 HA TRP 51 HA TRP 51 -7.478 -0.729 4.872 360 HB2 TRP 51 HB2 TRP 51 -9.081 0.628 4.041 361 HB3 TRP 51 HB3 TRP 51 -10.365 -0.057 5.020 362 HD1 TRP 51 HD1 TRP 51 -11.184 1.302 7.034 363 HE1 TRP 51 HE1 TRP 51 -10.417 3.432 8.243 364 HE3 TRP 51 HE3 TRP 51 -6.650 1.980 4.750 365 HZ2 TRP 51 HZ2 TRP 51 -8.197 5.246 8.169 366 HZ3 TRP 51 HZ3 TRP 51 -5.214 3.896 5.365 367 HH2 TRP 51 HH2 TRP 51 -5.988 5.570 7.035 368 H LEU 52 H LEU 52 -9.608 -1.849 7.494 369 HA LEU 52 HA LEU 52 -8.554 -0.223 9.567 370 HB2 LEU 52 HB2 LEU 52 -10.606 -2.078 9.315 371 HB3 LEU 52 HB3 LEU 52 -9.480 -2.939 10.337 372 HG LEU 52 HG LEU 52 -11.136 -1.770 11.646 373 HD11 LEU 52 HD11 LEU 52 -8.847 -1.887 12.606 374 HD12 LEU 52 HD12 LEU 52 -9.771 -0.490 13.188 375 HD13 LEU 52 HD13 LEU 52 -8.509 -0.263 11.962 376 HD21 LEU 52 HD21 LEU 52 -10.189 0.871 10.472 377 HD22 LEU 52 HD22 LEU 52 -11.453 0.616 11.687 378 HD23 LEU 52 HD23 LEU 52 -11.689 0.023 10.036 379 H THR 53 H THR 53 -7.586 -3.478 8.496 380 HA THR 53 HA THR 53 -5.188 -3.519 10.188 381 HB THR 53 HB THR 53 -4.657 -5.611 8.918 382 HG1 THR 53 HG1 THR 53 -7.279 -5.233 7.905 383 HG21 THR 53 HG21 THR 53 -5.844 -5.669 11.072 384 HG22 THR 53 HG22 THR 53 -6.406 -6.952 9.986 385 HG23 THR 53 HG23 THR 53 -7.403 -5.503 10.234 386 H PHE 54 H PHE 54 -5.807 -2.516 6.848 387 HA PHE 54 HA PHE 54 -3.244 -2.524 5.716 388 HB2 PHE 54 HB2 PHE 54 -5.210 -1.778 4.470 389 HB3 PHE 54 HB3 PHE 54 -5.442 -0.443 5.566 390 HD1 PHE 54 HD1 PHE 54 -3.389 -1.654 2.761 391 HD2 PHE 54 HD2 PHE 54 -4.285 1.609 5.416 392 HE1 PHE 54 HE1 PHE 54 -2.076 -0.107 1.328 393 HE2 PHE 54 HE2 PHE 54 -3.050 3.178 3.924 394 HZ PHE 54 HZ PHE 54 -1.912 2.313 1.903 395 H GLN 55 H GLN 55 -4.603 -0.126 7.926 396 HA GLN 55 HA GLN 55 -2.400 1.663 8.104 397 HB2 GLN 55 HB2 GLN 55 -4.543 0.883 10.113 398 HB3 GLN 55 HB3 GLN 55 -3.393 2.196 10.399 399 HG2 GLN 55 HG2 GLN 55 -4.291 3.554 8.718 400 HG3 GLN 55 HG3 GLN 55 -5.010 2.197 7.846 401 HE21 GLN 55 HE21 GLN 55 -6.975 1.267 8.544 402 HE22 GLN 55 HE22 GLN 55 -8.002 2.195 9.612 403 H LYS 56 H LYS 56 -3.283 -0.878 10.438 404 HA LYS 56 HA LYS 56 -0.802 -0.741 11.908 405 HB2 LYS 56 HB2 LYS 56 -2.723 -3.111 11.768 406 HB3 LYS 56 HB3 LYS 56 -1.361 -2.953 12.870 407 HG2 LYS 56 HG2 LYS 56 -3.004 -2.188 14.254 408 HG3 LYS 56 HG3 LYS 56 -2.443 -0.669 13.565 409 HD2 LYS 56 HD2 LYS 56 -4.441 -1.503 11.786 410 HD3 LYS 56 HD3 LYS 56 -5.066 -2.056 13.322 411 HE2 LYS 56 HE2 LYS 56 -4.161 0.798 12.700 412 HE3 LYS 56 HE3 LYS 56 -5.833 0.232 12.628 413 HZ1 LYS 56 HZ1 LYS 56 -5.359 1.311 14.748 414 HZ2 LYS 56 HZ2 LYS 56 -4.163 0.257 15.091 415 HZ3 LYS 56 HZ3 LYS 56 -5.713 -0.259 15.009 416 H LYS 57 H LYS 57 -1.400 -2.372 8.929 417 HA LYS 57 HA LYS 57 0.893 -4.095 8.920 418 HB2 LYS 57 HB2 LYS 57 -1.214 -3.352 7.070 419 HB3 LYS 57 HB3 LYS 57 0.315 -3.290 6.217 420 HG2 LYS 57 HG2 LYS 57 -0.613 -5.667 7.890 421 HG3 LYS 57 HG3 LYS 57 -0.871 -5.493 6.158 422 HD2 LYS 57 HD2 LYS 57 1.651 -5.310 5.852 423 HD3 LYS 57 HD3 LYS 57 1.821 -5.687 7.570 424 HE2 LYS 57 HE2 LYS 57 2.119 -7.744 6.450 425 HE3 LYS 57 HE3 LYS 57 0.500 -7.818 7.156 426 HZ1 LYS 57 HZ1 LYS 57 1.160 -7.175 4.325 427 HZ2 LYS 57 HZ2 LYS 57 -0.373 -7.206 4.929 428 HZ3 LYS 57 HZ3 LYS 57 0.506 -8.585 4.850 429 H HIS 58 H HIS 58 0.654 -0.741 7.543 430 HA HIS 58 HA HIS 58 3.601 -0.512 7.893 431 HB2 HIS 58 HB2 HIS 58 4.100 -0.164 5.626 432 HB3 HIS 58 HB3 HIS 58 3.159 -1.648 5.670 433 HD1 HIS 58 HD1 HIS 58 3.268 1.681 4.115 434 HD2 HIS 58 HD2 HIS 58 0.284 -1.167 5.090 435 HE1 HIS 58 HE1 HIS 58 1.092 2.358 2.846 436 HE2 HIS 58 HE2 HIS 58 -0.688 0.604 3.472 437 H ILE 59 H ILE 59 1.140 0.986 8.872 438 HA ILE 59 HA ILE 59 2.130 3.742 8.269 439 HB ILE 59 HB ILE 59 -0.787 2.973 8.620 440 HG12 ILE 59 HG12 ILE 59 0.918 3.477 6.179 441 HG13 ILE 59 HG13 ILE 59 -0.263 2.211 6.467 442 HG21 ILE 59 HG21 ILE 59 0.392 5.685 7.944 443 HG22 ILE 59 HG22 ILE 59 -1.326 5.288 8.132 444 HG23 ILE 59 HG23 ILE 59 -0.289 5.227 9.525 445 HD11 ILE 59 HD11 ILE 59 -2.093 3.886 6.203 446 HD12 ILE 59 HD12 ILE 59 -0.865 5.134 5.848 447 HD13 ILE 59 HD13 ILE 59 -1.047 3.749 4.768 448 H THR 60 H THR 60 2.046 5.159 10.010 449 HA THR 60 HA THR 60 1.135 4.137 12.640 450 HB THR 60 HB THR 60 3.410 3.310 12.576 451 HG1 THR 60 HG1 THR 60 4.122 4.445 14.458 452 HG21 THR 60 HG21 THR 60 5.355 4.780 12.564 453 HG22 THR 60 HG22 THR 60 4.329 6.205 12.278 454 HG23 THR 60 HG23 THR 60 4.479 4.937 11.039 455 H ASN 61 H ASN 61 0.967 5.703 14.287 456 HA ASN 61 HA ASN 61 0.668 8.517 13.388 457 HB2 ASN 61 HB2 ASN 61 -0.234 7.091 15.925 458 HB3 ASN 61 HB3 ASN 61 -0.634 8.731 15.450 459 HD21 ASN 61 HD21 ASN 61 -1.327 8.194 12.573 460 HD22 ASN 61 HD22 ASN 61 -2.777 7.219 12.727 461 H THR 62 H THR 62 3.112 6.647 14.527 462 HA THR 62 HA THR 62 4.714 8.938 15.269 463 HB THR 62 HB THR 62 3.784 8.624 17.439 464 HG1 THR 62 HG1 THR 62 5.701 8.227 18.560 465 HG21 THR 62 HG21 THR 62 3.939 6.665 18.807 466 HG22 THR 62 HG22 THR 62 4.791 5.757 17.552 467 HG23 THR 62 HG23 THR 62 3.089 6.215 17.322 468 H ARG 63 H ARG 63 6.435 8.570 13.944 469 HA ARG 63 HA ARG 63 7.381 5.901 13.264 470 HB2 ARG 63 HB2 ARG 63 7.714 7.789 11.702 471 HB3 ARG 63 HB3 ARG 63 8.781 8.579 12.888 472 HG2 ARG 63 HG2 ARG 63 10.246 6.465 12.759 473 HG3 ARG 63 HG3 ARG 63 9.132 5.886 11.507 474 HD2 ARG 63 HD2 ARG 63 11.010 6.787 10.396 475 HD3 ARG 63 HD3 ARG 63 9.656 7.891 10.152 476 HE ARG 63 HE ARG 63 10.772 9.548 11.368 477 HH11 ARG 63 HH11 ARG 63 12.541 6.572 11.958 478 HH12 ARG 63 HH12 ARG 63 13.885 7.423 12.655 479 HH21 ARG 63 HH21 ARG 63 12.502 10.547 12.299 480 HH22 ARG 63 HH22 ARG 63 13.858 9.607 12.838 481 H ASP 64 H ASP 64 7.880 4.744 14.992 482 HA ASP 64 HA ASP 64 10.125 5.619 16.760 483 HB2 ASP 64 HB2 ASP 64 7.856 5.094 17.742 484 HB3 ASP 64 HB3 ASP 64 8.072 3.426 17.215 485 H VAL 65 H VAL 65 9.940 4.024 13.999 486 HA VAL 65 HA VAL 65 11.387 1.557 14.567 487 HB VAL 65 HB VAL 65 9.936 1.537 12.702 488 HG11 VAL 65 HG11 VAL 65 11.496 3.881 11.546 489 HG12 VAL 65 HG12 VAL 65 10.341 2.889 10.642 490 HG13 VAL 65 HG13 VAL 65 9.774 3.826 12.020 491 HG21 VAL 65 HG21 VAL 65 12.127 0.305 12.525 492 HG22 VAL 65 HG22 VAL 65 11.348 0.664 10.992 493 HG23 VAL 65 HG23 VAL 65 12.717 1.649 11.505 494 H ASP 66 H ASP 66 13.462 1.113 14.443 495 HA ASP 66 HA ASP 66 15.461 3.122 13.490 496 HB2 ASP 66 HB2 ASP 66 15.262 2.881 16.015 497 HB3 ASP 66 HB3 ASP 66 15.823 1.220 15.823 498 H CYS 67 H CYS 67 14.091 0.466 12.518 499 HA CYS 67 HA CYS 67 14.511 -1.492 11.458 500 HB2 CYS 67 HB2 CYS 67 16.761 0.082 10.218 501 HB3 CYS 67 HB3 CYS 67 15.825 -1.240 9.507 502 H ASP 68 H ASP 68 15.334 -1.904 13.829 503 HA ASP 68 HA ASP 68 17.287 -4.025 13.745 504 HB2 ASP 68 HB2 ASP 68 18.031 -1.368 14.978 505 HB3 ASP 68 HB3 ASP 68 18.519 -2.828 15.814 506 H ASN 69 H ASN 69 15.093 -1.948 15.623 507 HA ASN 69 HA ASN 69 14.766 -4.065 17.676 508 HB2 ASN 69 HB2 ASN 69 13.775 -2.276 19.044 509 HB3 ASN 69 HB3 ASN 69 15.455 -2.019 18.595 510 HD21 ASN 69 HD21 ASN 69 12.491 -1.158 16.621 511 HD22 ASN 69 HD22 ASN 69 12.855 0.550 16.816 512 H ILE 70 H ILE 70 13.317 -3.347 14.835 513 HA ILE 70 HA ILE 70 10.528 -3.379 15.435 514 HB ILE 70 HB ILE 70 10.175 -3.920 13.124 515 HG12 ILE 70 HG12 ILE 70 13.103 -4.725 13.085 516 HG13 ILE 70 HG13 ILE 70 11.685 -5.630 12.540 517 HG21 ILE 70 HG21 ILE 70 12.506 -1.984 13.380 518 HG22 ILE 70 HG22 ILE 70 11.170 -1.944 12.204 519 HG23 ILE 70 HG23 ILE 70 10.841 -1.637 13.908 520 HD11 ILE 70 HD11 ILE 70 12.969 -3.246 11.188 521 HD12 ILE 70 HD12 ILE 70 12.894 -4.918 10.613 522 HD13 ILE 70 HD13 ILE 70 11.405 -3.943 10.685 523 H MET 71 H MET 71 12.760 -5.821 15.853 524 HA MET 71 HA MET 71 11.224 -8.204 15.538 525 HB2 MET 71 HB2 MET 71 12.769 -9.277 17.049 526 HB3 MET 71 HB3 MET 71 13.608 -8.232 15.916 527 HG2 MET 71 HG2 MET 71 14.701 -7.857 17.934 528 HG3 MET 71 HG3 MET 71 13.645 -6.458 17.782 529 HE1 MET 71 HE1 MET 71 13.674 -6.742 21.615 530 HE2 MET 71 HE2 MET 71 15.009 -6.821 20.445 531 HE3 MET 71 HE3 MET 71 13.684 -5.654 20.211 532 H SER 72 H SER 72 10.881 -5.727 18.028 533 HA SER 72 HA SER 72 9.060 -7.450 19.614 534 HB2 SER 72 HB2 SER 72 9.100 -5.687 21.260 535 HB3 SER 72 HB3 SER 72 10.742 -6.129 20.787 536 HG SER 72 HG SER 72 9.273 -3.789 20.158 537 H THR 73 H THR 73 8.691 -5.564 16.930 538 HA THR 73 HA THR 73 5.973 -4.511 17.612 539 HB THR 73 HB THR 73 6.085 -3.150 15.676 540 HG1 THR 73 HG1 THR 73 8.403 -4.638 15.011 541 HG21 THR 73 HG21 THR 73 8.049 -1.751 15.976 542 HG22 THR 73 HG22 THR 73 8.854 -3.008 16.935 543 HG23 THR 73 HG23 THR 73 7.382 -2.228 17.549 544 H ASN 74 H ASN 74 4.568 -4.580 15.397 545 HA ASN 74 HA ASN 74 3.950 -7.329 14.764 546 HB2 ASN 74 HB2 ASN 74 3.176 -4.782 13.264 547 HB3 ASN 74 HB3 ASN 74 2.396 -6.354 13.137 548 HD21 ASN 74 HD21 ASN 74 2.358 -3.356 14.803 549 HD22 ASN 74 HD22 ASN 74 1.239 -3.867 16.061 550 H LEU 75 H LEU 75 6.378 -5.222 13.508 551 HA LEU 75 HA LEU 75 6.421 -6.357 10.808 552 HB2 LEU 75 HB2 LEU 75 8.116 -4.191 12.106 553 HB3 LEU 75 HB3 LEU 75 8.062 -4.584 10.409 554 HG LEU 75 HG LEU 75 6.823 -2.715 10.458 555 HD11 LEU 75 HD11 LEU 75 5.540 -4.461 9.308 556 HD12 LEU 75 HD12 LEU 75 4.514 -3.201 10.016 557 HD13 LEU 75 HD13 LEU 75 4.629 -4.775 10.806 558 HD21 LEU 75 HD21 LEU 75 5.153 -2.004 12.036 559 HD22 LEU 75 HD22 LEU 75 6.654 -2.396 12.885 560 HD23 LEU 75 HD23 LEU 75 5.277 -3.518 12.937 561 H PHE 76 H PHE 76 7.492 -7.826 13.351 562 HA PHE 76 HA PHE 76 10.289 -8.175 13.207 563 HB2 PHE 76 HB2 PHE 76 9.956 -9.912 14.759 564 HB3 PHE 76 HB3 PHE 76 8.780 -8.661 15.139 565 HD1 PHE 76 HD2 PHE 76 6.320 -9.048 14.442 566 HD2 PHE 76 HD1 PHE 76 9.308 -12.145 14.277 567 HE1 PHE 76 HE2 PHE 76 4.531 -10.759 14.373 568 HE2 PHE 76 HE1 PHE 76 7.513 -13.865 14.216 569 HZ PHE 76 HZ PHE 76 5.122 -13.174 14.265 570 H HIS 77 H HIS 77 8.038 -9.272 11.019 571 HA HIS 77 HA HIS 77 8.742 -11.938 10.469 572 HB2 HIS 77 HB2 HIS 77 6.720 -10.415 9.765 573 HB3 HIS 77 HB3 HIS 77 7.675 -10.072 8.331 574 HD1 HIS 77 HD1 HIS 77 8.703 -12.927 7.574 575 HD2 HIS 77 HD2 HIS 77 4.871 -12.042 9.109 576 HE1 HIS 77 HE1 HIS 77 7.159 -14.885 6.867 577 HE2 HIS 77 HE2 HIS 77 4.818 -14.327 7.800 578 H CYS 78 H CYS 78 10.787 -9.401 9.992 579 HA CYS 78 HA CYS 78 12.271 -8.631 8.412 580 HB2 CYS 78 HB2 CYS 78 13.617 -10.056 9.752 581 HB3 CYS 78 HB3 CYS 78 13.237 -11.462 8.756 582 H LYS 79 H LYS 79 10.250 -8.559 7.055 583 HA LYS 79 HA LYS 79 10.511 -9.688 4.368 584 HB2 LYS 79 HB2 LYS 79 8.989 -7.705 3.779 585 HB3 LYS 79 HB3 LYS 79 8.373 -8.991 4.794 586 HG2 LYS 79 HG2 LYS 79 7.577 -6.901 5.603 587 HG3 LYS 79 HG3 LYS 79 8.617 -7.628 6.807 588 HD2 LYS 79 HD2 LYS 79 9.964 -5.726 4.945 589 HD3 LYS 79 HD3 LYS 79 8.686 -5.015 5.901 590 HE2 LYS 79 HE2 LYS 79 11.059 -6.534 7.088 591 HE3 LYS 79 HE3 LYS 79 11.022 -4.798 6.846 592 HZ1 LYS 79 HZ1 LYS 79 10.371 -5.347 9.099 593 HZ2 LYS 79 HZ2 LYS 79 9.141 -6.283 8.617 594 HZ3 LYS 79 HZ3 LYS 79 9.092 -4.670 8.331 595 H ASP 80 H ASP 80 11.062 -8.431 2.504 596 HA ASP 80 HA ASP 80 13.740 -7.545 2.607 597 HB2 ASP 80 HB2 ASP 80 11.637 -7.309 0.416 598 HB3 ASP 80 HB3 ASP 80 13.344 -6.943 0.184 599 H LYS 81 H LYS 81 10.818 -5.583 2.540 600 HA LYS 81 HA LYS 81 12.200 -3.375 3.716 601 HB2 LYS 81 HB2 LYS 81 11.575 -1.644 1.989 602 HB3 LYS 81 HB3 LYS 81 12.878 -2.702 1.507 603 HG2 LYS 81 HG2 LYS 81 11.686 -3.809 -0.082 604 HG3 LYS 81 HG3 LYS 81 10.106 -3.481 0.644 605 HD2 LYS 81 HD2 LYS 81 11.822 -1.364 -0.723 606 HD3 LYS 81 HD3 LYS 81 10.490 -2.239 -1.488 607 HE2 LYS 81 HE2 LYS 81 8.915 -1.373 0.237 608 HE3 LYS 81 HE3 LYS 81 10.234 -0.472 0.992 609 HZ1 LYS 81 HZ1 LYS 81 8.982 0.961 -0.422 610 HZ2 LYS 81 HZ2 LYS 81 9.184 -0.004 -1.737 611 HZ3 LYS 81 HZ3 LYS 81 10.463 0.790 -1.087 612 H ASN 82 H ASN 82 10.798 -1.636 4.373 613 HA ASN 82 HA ASN 82 7.886 -2.096 4.001 614 HB2 ASN 82 HB2 ASN 82 8.985 -2.886 6.361 615 HB3 ASN 82 HB3 ASN 82 8.743 -1.195 6.741 616 HD21 ASN 82 HD21 ASN 82 7.005 -1.447 8.212 617 HD22 ASN 82 HD22 ASN 82 5.503 -2.252 7.745 618 H THR 83 H THR 83 7.049 -0.331 3.071 619 HA THR 83 HA THR 83 8.302 2.307 3.395 620 HB THR 83 HB THR 83 5.665 1.590 2.032 621 HG1 THR 83 HG1 THR 83 6.840 1.581 0.148 622 HG21 THR 83 HG21 THR 83 6.057 4.013 2.582 623 HG22 THR 83 HG22 THR 83 6.019 3.698 0.839 624 HG23 THR 83 HG23 THR 83 7.576 3.937 1.677 625 H PHE 84 H PHE 84 8.019 2.987 5.562 626 HA PHE 84 HA PHE 84 5.384 2.799 6.845 627 HB2 PHE 84 HB2 PHE 84 7.924 4.067 7.808 628 HB3 PHE 84 HB3 PHE 84 6.426 4.030 8.710 629 HD1 PHE 84 HD1 PHE 84 5.361 1.576 9.022 630 HD2 PHE 84 HD2 PHE 84 9.522 2.500 8.312 631 HE1 PHE 84 HE1 PHE 84 6.024 -0.490 10.217 632 HE2 PHE 84 HE2 PHE 84 10.161 0.287 9.266 633 HZ PHE 84 HZ PHE 84 8.436 -1.154 10.337 634 H ILE 85 H ILE 85 3.898 4.294 6.869 635 HA ILE 85 HA ILE 85 4.456 7.089 5.896 636 HB ILE 85 HB ILE 85 1.897 5.470 6.032 637 HG12 ILE 85 HG12 ILE 85 3.263 6.592 3.545 638 HG13 ILE 85 HG13 ILE 85 3.584 4.966 4.146 639 HG21 ILE 85 HG21 ILE 85 0.770 7.377 4.955 640 HG22 ILE 85 HG22 ILE 85 1.407 7.838 6.521 641 HG23 ILE 85 HG23 ILE 85 2.270 8.331 5.043 642 HD11 ILE 85 HD11 ILE 85 1.180 4.410 3.994 643 HD12 ILE 85 HD12 ILE 85 0.877 5.979 3.222 644 HD13 ILE 85 HD13 ILE 85 1.924 4.791 2.425 645 H TYR 86 H TYR 86 4.821 8.450 7.601 646 HA TYR 86 HA TYR 86 3.316 8.060 10.123 647 HB2 TYR 86 HB2 TYR 86 5.635 8.533 10.398 648 HB3 TYR 86 HB3 TYR 86 5.510 9.939 9.356 649 HD1 TYR 86 HD2 TYR 86 2.805 9.394 11.861 650 HD2 TYR 86 HD1 TYR 86 6.627 11.267 11.098 651 HE1 TYR 86 HE2 TYR 86 2.425 10.947 13.733 652 HE2 TYR 86 HE1 TYR 86 6.247 12.793 13.030 653 HH TYR 86 HH TYR 86 3.258 12.651 14.999 654 H SER 87 H SER 87 1.223 8.430 9.519 655 HA SER 87 HA SER 87 0.486 11.271 9.223 656 HB2 SER 87 HB2 SER 87 0.690 10.246 6.893 657 HB3 SER 87 HB3 SER 87 -0.724 9.252 7.316 658 HG SER 87 HG SER 87 -1.201 11.271 6.230 659 H ARG 88 H ARG 88 -2.071 11.140 8.879 660 HA ARG 88 HA ARG 88 -3.335 9.723 11.215 661 HB2 ARG 88 HB2 ARG 88 -4.033 12.272 9.665 662 HB3 ARG 88 HB3 ARG 88 -5.122 11.560 10.845 663 HG2 ARG 88 HG2 ARG 88 -2.294 12.537 11.444 664 HG3 ARG 88 HG3 ARG 88 -3.785 13.440 11.733 665 HD2 ARG 88 HD2 ARG 88 -4.378 11.085 13.046 666 HD3 ARG 88 HD3 ARG 88 -2.630 11.121 13.233 667 HE ARG 88 HE ARG 88 -2.838 12.907 14.718 668 HH11 ARG 88 HH11 ARG 88 -5.931 12.605 13.093 669 HH12 ARG 88 HH12 ARG 88 -6.718 13.697 14.189 670 HH21 ARG 88 HH21 ARG 88 -3.910 14.282 16.090 671 HH22 ARG 88 HH22 ARG 88 -5.599 14.610 15.842 672 HA PRO 89 HA PRO 89 -5.815 7.450 8.315 673 HB2 PRO 89 HB2 PRO 89 -8.264 7.191 9.548 674 HB3 PRO 89 HB3 PRO 89 -6.781 6.343 10.083 675 HG2 PRO 89 HG2 PRO 89 -7.946 8.923 11.169 676 HG3 PRO 89 HG3 PRO 89 -7.397 7.482 12.086 677 HD2 PRO 89 HD2 PRO 89 -5.797 9.641 11.768 678 HD3 PRO 89 HD3 PRO 89 -5.121 7.988 11.697 679 H GLU 90 H GLU 90 -6.985 10.629 9.248 680 HA GLU 90 HA GLU 90 -9.275 10.772 7.518 681 HB2 GLU 90 HB2 GLU 90 -7.597 12.887 8.894 682 HB3 GLU 90 HB3 GLU 90 -8.931 13.298 7.804 683 HG2 GLU 90 HG2 GLU 90 -10.490 11.991 9.197 684 HG3 GLU 90 HG3 GLU 90 -9.169 11.528 10.273 685 HA PRO 91 HA PRO 91 -6.666 12.922 4.152 686 HB2 PRO 91 HB2 PRO 91 -3.916 12.941 4.254 687 HB3 PRO 91 HB3 PRO 91 -4.926 14.196 5.027 688 HG2 PRO 91 HG2 PRO 91 -3.692 11.731 6.285 689 HG3 PRO 91 HG3 PRO 91 -3.645 13.420 6.892 690 HD2 PRO 91 HD2 PRO 91 -5.425 11.614 7.819 691 HD3 PRO 91 HD3 PRO 91 -5.901 13.311 7.597 692 H VAL 92 H VAL 92 -6.233 9.899 5.358 693 HA VAL 92 HA VAL 92 -5.123 8.681 2.848 694 HB VAL 92 HB VAL 92 -5.730 7.376 5.531 695 HG11 VAL 92 HG11 VAL 92 -4.076 5.660 4.617 696 HG12 VAL 92 HG12 VAL 92 -5.620 5.738 3.755 697 HG13 VAL 92 HG13 VAL 92 -4.168 6.487 3.054 698 HG21 VAL 92 HG21 VAL 92 -3.382 7.469 6.078 699 HG22 VAL 92 HG22 VAL 92 -2.965 8.163 4.504 700 HG23 VAL 92 HG23 VAL 92 -3.850 9.122 5.695 701 H LYS 93 H LYS 93 -7.796 8.109 5.169 702 HA LYS 93 HA LYS 93 -9.228 6.418 3.336 703 HB2 LYS 93 HB2 LYS 93 -9.331 6.876 6.050 704 HB3 LYS 93 HB3 LYS 93 -10.791 7.711 5.505 705 HG2 LYS 93 HG2 LYS 93 -11.432 5.558 4.284 706 HG3 LYS 93 HG3 LYS 93 -9.964 4.822 4.987 707 HD2 LYS 93 HD2 LYS 93 -11.799 4.093 6.227 708 HD3 LYS 93 HD3 LYS 93 -10.785 5.164 7.226 709 HE2 LYS 93 HE2 LYS 93 -13.259 6.191 5.912 710 HE3 LYS 93 HE3 LYS 93 -13.347 5.189 7.366 711 HZ1 LYS 93 HZ1 LYS 93 -11.715 7.680 7.199 712 HZ2 LYS 93 HZ2 LYS 93 -11.883 6.727 8.510 713 HZ3 LYS 93 HZ3 LYS 93 -13.171 7.574 7.953 714 H ALA 94 H ALA 94 -9.524 9.868 4.062 715 HA ALA 94 HA ALA 94 -11.985 10.209 2.556 716 HB1 ALA 94 HB1 ALA 94 -10.055 12.323 3.565 717 HB2 ALA 94 HB2 ALA 94 -11.760 12.533 3.133 718 HB3 ALA 94 HB3 ALA 94 -11.332 11.563 4.556 719 H ILE 95 H ILE 95 -8.786 9.878 1.439 720 HA ILE 95 HA ILE 95 -8.677 11.593 -0.799 721 HB ILE 95 HB ILE 95 -7.782 8.687 -0.706 722 HG12 ILE 95 HG12 ILE 95 -6.115 11.183 -0.129 723 HG13 ILE 95 HG13 ILE 95 -6.820 10.174 1.121 724 HG21 ILE 95 HG21 ILE 95 -6.744 10.980 -2.448 725 HG22 ILE 95 HG22 ILE 95 -6.225 9.280 -2.493 726 HG23 ILE 95 HG23 ILE 95 -7.832 9.712 -3.023 727 HD11 ILE 95 HD11 ILE 95 -4.709 9.276 -0.879 728 HD12 ILE 95 HD12 ILE 95 -4.517 9.542 0.853 729 HD13 ILE 95 HD13 ILE 95 -5.528 8.206 0.284 730 H CYS 96 H CYS 96 -10.620 8.678 -0.301 731 HA CYS 96 HA CYS 96 -12.009 9.142 -2.904 732 HB2 CYS 96 HB2 CYS 96 -12.660 6.776 -2.789 733 HB3 CYS 96 HB3 CYS 96 -10.930 7.041 -3.002 734 H LYS 97 H LYS 97 -14.235 8.760 -2.974 735 HA LYS 97 HA LYS 97 -15.852 8.645 -0.526 736 HB2 LYS 97 HB2 LYS 97 -15.101 11.103 -0.945 737 HB3 LYS 97 HB3 LYS 97 -16.136 11.064 -2.359 738 HG2 LYS 97 HG2 LYS 97 -17.467 12.023 -0.691 739 HG3 LYS 97 HG3 LYS 97 -18.045 10.354 -0.735 740 HD2 LYS 97 HD2 LYS 97 -16.651 9.827 1.266 741 HD3 LYS 97 HD3 LYS 97 -15.996 11.478 1.241 742 HE2 LYS 97 HE2 LYS 97 -18.329 12.362 1.528 743 HE3 LYS 97 HE3 LYS 97 -18.915 10.700 1.672 744 HZ1 LYS 97 HZ1 LYS 97 -16.957 11.991 3.501 745 HZ2 LYS 97 HZ2 LYS 97 -17.483 10.448 3.641 746 HZ3 LYS 97 HZ3 LYS 97 -18.519 11.692 3.854 747 H GLY 98 H GLY 98 -17.107 6.980 -1.131 748 HA2 GLY 98 HA2 GLY 98 -18.945 5.969 -2.191 749 HA3 GLY 98 HA3 GLY 98 -18.953 7.234 -3.406 750 H ILE 99 H ILE 99 -15.827 5.951 -3.194 751 HA ILE 99 HA ILE 99 -16.062 4.711 -5.812 752 HB ILE 99 HB ILE 99 -13.669 5.021 -3.971 753 HG12 ILE 99 HG12 ILE 99 -14.665 6.557 -6.418 754 HG13 ILE 99 HG13 ILE 99 -14.574 7.149 -4.762 755 HG21 ILE 99 HG21 ILE 99 -13.284 3.090 -5.443 756 HG22 ILE 99 HG22 ILE 99 -13.820 4.038 -6.864 757 HG23 ILE 99 HG23 ILE 99 -12.332 4.442 -5.999 758 HD11 ILE 99 HD11 ILE 99 -12.022 6.821 -4.937 759 HD12 ILE 99 HD12 ILE 99 -12.291 6.664 -6.681 760 HD13 ILE 99 HD13 ILE 99 -12.760 8.153 -5.840 761 H ILE 100 H ILE 100 -16.738 2.798 -6.151 762 HA ILE 100 HA ILE 100 -16.006 0.482 -4.398 763 HB ILE 100 HB ILE 100 -18.313 0.444 -6.351 764 HG12 ILE 100 HG12 ILE 100 -18.356 1.521 -3.503 765 HG13 ILE 100 HG13 ILE 100 -18.825 2.372 -4.978 766 HG21 ILE 100 HG21 ILE 100 -17.935 -0.984 -3.696 767 HG22 ILE 100 HG22 ILE 100 -19.137 -1.346 -4.947 768 HG23 ILE 100 HG23 ILE 100 -17.448 -1.700 -5.246 769 HD11 ILE 100 HD11 ILE 100 -20.813 1.837 -3.812 770 HD12 ILE 100 HD12 ILE 100 -20.747 0.795 -5.249 771 HD13 ILE 100 HD13 ILE 100 -20.362 0.137 -3.634 772 H ALA 101 H ALA 101 -15.196 1.975 -7.212 773 HA ALA 101 HA ALA 101 -15.027 -0.171 -9.123 774 HB1 ALA 101 HB1 ALA 101 -14.059 1.573 -10.542 775 HB2 ALA 101 HB2 ALA 101 -15.459 2.213 -9.667 776 HB3 ALA 101 HB3 ALA 101 -13.808 2.623 -9.133 777 H SER 102 H SER 102 -13.151 -0.097 -6.507 778 HA SER 102 HA SER 102 -11.017 -0.525 -5.888 779 HB2 SER 102 HB2 SER 102 -9.938 -2.437 -6.903 780 HB3 SER 102 HB3 SER 102 -11.655 -2.680 -6.570 781 HG SER 102 HG SER 102 -11.465 -1.774 -9.052 782 H LYS 103 H LYS 103 -10.638 1.840 -6.513 783 HA LYS 103 HA LYS 103 -8.061 2.129 -7.855 784 HB2 LYS 103 HB2 LYS 103 -9.534 2.171 -9.805 785 HB3 LYS 103 HB3 LYS 103 -10.525 3.445 -9.090 786 HG2 LYS 103 HG2 LYS 103 -8.729 5.044 -9.239 787 HG3 LYS 103 HG3 LYS 103 -7.547 3.801 -9.670 788 HD2 LYS 103 HD2 LYS 103 -9.943 4.529 -11.411 789 HD3 LYS 103 HD3 LYS 103 -8.361 5.316 -11.529 790 HE2 LYS 103 HE2 LYS 103 -7.295 3.089 -11.937 791 HE3 LYS 103 HE3 LYS 103 -8.900 2.343 -11.947 792 HZ1 LYS 103 HZ1 LYS 103 -7.980 4.452 -13.835 793 HZ2 LYS 103 HZ2 LYS 103 -9.465 3.767 -13.853 794 HZ3 LYS 103 HZ3 LYS 103 -8.145 2.871 -14.198 795 H ASN 104 H ASN 104 -7.053 4.191 -7.286 796 HA ASN 104 HA ASN 104 -8.742 6.177 -5.926 797 HB2 ASN 104 HB2 ASN 104 -7.195 4.499 -4.397 798 HB3 ASN 104 HB3 ASN 104 -6.039 5.779 -4.693 799 HD21 ASN 104 HD21 ASN 104 -6.991 5.182 -2.110 800 HD22 ASN 104 HD22 ASN 104 -7.870 6.598 -1.577 801 H VAL 105 H VAL 105 -6.886 8.054 -5.312 802 HA VAL 105 HA VAL 105 -5.233 8.560 -7.729 803 HB VAL 105 HB VAL 105 -7.257 9.950 -7.821 804 HG11 VAL 105 HG11 VAL 105 -7.748 10.241 -5.421 805 HG12 VAL 105 HG12 VAL 105 -6.301 11.260 -5.244 806 HG13 VAL 105 HG13 VAL 105 -7.651 11.789 -6.267 807 HG21 VAL 105 HG21 VAL 105 -5.136 10.762 -8.787 808 HG22 VAL 105 HG22 VAL 105 -6.191 12.073 -8.240 809 HG23 VAL 105 HG23 VAL 105 -4.782 11.619 -7.267 810 H LEU 106 H LEU 106 -3.200 9.287 -7.298 811 HA LEU 106 HA LEU 106 -1.901 9.019 -4.834 812 HB2 LEU 106 HB2 LEU 106 -0.807 9.206 -7.068 813 HB3 LEU 106 HB3 LEU 106 -1.346 10.871 -7.204 814 HG LEU 106 HG LEU 106 0.151 11.398 -5.201 815 HD11 LEU 106 HD11 LEU 106 1.852 9.878 -4.548 816 HD12 LEU 106 HD12 LEU 106 1.388 8.718 -5.817 817 HD13 LEU 106 HD13 LEU 106 0.310 9.020 -4.445 818 HD21 LEU 106 HD21 LEU 106 2.226 11.323 -6.591 819 HD22 LEU 106 HD22 LEU 106 0.821 11.994 -7.434 820 HD23 LEU 106 HD23 LEU 106 1.334 10.335 -7.777 821 H THR 107 H THR 107 -1.452 10.361 -3.100 822 HA THR 107 HA THR 107 -3.156 12.608 -2.508 823 HB THR 107 HB THR 107 -0.836 12.900 -0.917 824 HG1 THR 107 HG1 THR 107 -1.603 10.201 -0.890 825 HG21 THR 107 HG21 THR 107 -3.123 13.167 -0.082 826 HG22 THR 107 HG22 THR 107 -2.319 11.891 0.854 827 HG23 THR 107 HG23 THR 107 -3.478 11.460 -0.411 828 H THR 108 H THR 108 -2.204 14.726 -1.750 829 HA THR 108 HA THR 108 -0.415 15.899 -3.870 830 HB THR 108 HB THR 108 -2.756 16.542 -4.141 831 HG1 THR 108 HG1 THR 108 -1.218 17.984 -4.818 832 HG21 THR 108 HG21 THR 108 -3.844 18.108 -2.627 833 HG22 THR 108 HG22 THR 108 -2.498 18.006 -1.479 834 HG23 THR 108 HG23 THR 108 -3.529 16.585 -1.785 835 H SER 109 H SER 109 -1.105 15.826 -0.436 836 HA SER 109 HA SER 109 0.846 17.872 0.310 837 HB2 SER 109 HB2 SER 109 -0.639 15.808 1.985 838 HB3 SER 109 HB3 SER 109 0.299 17.177 2.612 839 HG SER 109 HG SER 109 -1.921 17.689 2.502 840 H GLU 110 H GLU 110 2.534 17.284 1.997 841 HA GLU 110 HA GLU 110 4.039 14.856 1.143 842 HB2 GLU 110 HB2 GLU 110 5.227 17.477 2.066 843 HB3 GLU 110 HB3 GLU 110 6.060 16.076 1.382 844 HG2 GLU 110 HG2 GLU 110 4.636 16.413 -0.716 845 HG3 GLU 110 HG3 GLU 110 4.170 17.977 -0.053 846 H PHE 111 H PHE 111 3.996 13.328 2.629 847 HA PHE 111 HA PHE 111 3.688 13.996 5.508 848 HB2 PHE 111 HB2 PHE 111 3.302 11.319 4.124 849 HB3 PHE 111 HB3 PHE 111 2.760 11.790 5.727 850 HD1 PHE 111 HD2 PHE 111 2.183 12.139 2.095 851 HD2 PHE 111 HD1 PHE 111 0.634 13.030 6.014 852 HE1 PHE 111 HE2 PHE 111 0.044 12.823 1.084 853 HE2 PHE 111 HE1 PHE 111 -1.524 13.704 4.999 854 HZ PHE 111 HZ PHE 111 -1.827 13.589 2.512 855 H TYR 112 H TYR 112 4.856 12.467 7.055 856 HA TYR 112 HA TYR 112 7.696 12.439 6.369 857 HB2 TYR 112 HB2 TYR 112 6.079 12.197 8.805 858 HB3 TYR 112 HB3 TYR 112 7.370 11.006 8.738 859 HD1 TYR 112 HD1 TYR 112 6.907 14.691 8.072 860 HD2 TYR 112 HD2 TYR 112 9.421 11.548 9.630 861 HE1 TYR 112 HE1 TYR 112 8.566 16.391 8.832 862 HE2 TYR 112 HE2 TYR 112 11.074 13.255 10.399 863 HH TYR 112 HH TYR 112 10.563 16.760 9.889 864 H LEU 113 H LEU 113 8.441 11.005 5.005 865 HA LEU 113 HA LEU 113 7.294 8.285 4.907 866 HB2 LEU 113 HB2 LEU 113 7.995 10.189 2.924 867 HB3 LEU 113 HB3 LEU 113 9.230 8.947 2.824 868 HG LEU 113 HG LEU 113 7.470 8.458 1.321 869 HD11 LEU 113 HD11 LEU 113 7.232 6.499 3.625 870 HD12 LEU 113 HD12 LEU 113 8.509 6.508 2.384 871 HD13 LEU 113 HD13 LEU 113 6.816 6.214 1.947 872 HD21 LEU 113 HD21 LEU 113 5.151 8.079 1.925 873 HD22 LEU 113 HD22 LEU 113 5.638 9.687 2.483 874 HD23 LEU 113 HD23 LEU 113 5.499 8.352 3.640 875 H SER 114 H SER 114 8.347 6.514 5.437 876 HA SER 114 HA SER 114 11.260 6.639 6.100 877 HB2 SER 114 HB2 SER 114 10.036 7.143 8.117 878 HB3 SER 114 HB3 SER 114 9.008 5.745 7.910 879 HG SER 114 HG SER 114 10.584 5.096 9.298 880 H ASP 115 H ASP 115 11.939 5.396 4.448 881 HA ASP 115 HA ASP 115 10.837 2.659 4.068 882 HB2 ASP 115 HB2 ASP 115 13.079 4.200 2.718 883 HB3 ASP 115 HB3 ASP 115 12.613 2.552 2.307 884 H CYS 116 H CYS 116 12.254 0.849 4.236 885 HA CYS 116 HA CYS 116 15.048 1.236 4.941 886 HB2 CYS 116 HB2 CYS 116 13.129 0.239 6.957 887 HB3 CYS 116 HB3 CYS 116 14.456 -0.870 6.669 888 H ASN 117 H ASN 117 16.262 -0.283 3.887 889 HA ASN 117 HA ASN 117 14.840 -2.524 2.473 890 HB2 ASN 117 HB2 ASN 117 16.995 -0.599 1.484 891 HB3 ASN 117 HB3 ASN 117 16.609 -2.117 0.682 892 HD21 ASN 117 HD21 ASN 117 15.332 1.129 1.433 893 HD22 ASN 117 HD22 ASN 117 14.066 1.008 0.216 894 H VAL 118 H VAL 118 15.653 -4.501 2.739 895 HA VAL 118 HA VAL 118 17.610 -5.091 4.727 896 HB VAL 118 HB VAL 118 16.368 -6.707 2.510 897 HG11 VAL 118 HG11 VAL 118 18.316 -7.793 4.596 898 HG12 VAL 118 HG12 VAL 118 17.261 -8.784 3.569 899 HG13 VAL 118 HG13 VAL 118 18.537 -7.831 2.825 900 HG21 VAL 118 HG21 VAL 118 16.170 -6.855 5.541 901 HG22 VAL 118 HG22 VAL 118 14.976 -6.133 4.436 902 HG23 VAL 118 HG23 VAL 118 15.275 -7.869 4.392 903 H THR 119 H THR 119 19.705 -5.734 4.731 904 HA THR 119 HA THR 119 21.273 -5.702 2.190 905 HB THR 119 HB THR 119 21.538 -3.508 2.904 906 HG1 THR 119 HG1 THR 119 23.877 -4.899 3.637 907 HG21 THR 119 HG21 THR 119 22.596 -2.780 4.971 908 HG22 THR 119 HG22 THR 119 22.581 -4.438 5.600 909 HG23 THR 119 HG23 THR 119 21.056 -3.587 5.281 910 H SER 120 H SER 120 21.043 -7.893 2.427 911 HA SER 120 HA SER 120 22.352 -9.540 4.403 912 HB2 SER 120 HB2 SER 120 21.747 -10.112 1.471 913 HB3 SER 120 HB3 SER 120 22.195 -11.316 2.692 914 HG SER 120 HG SER 120 20.302 -10.723 3.877 Start of MODEL 20 1 H1 ARG 1 H1 ARG 1 17.759 -5.143 18.788 2 H2 ARG 1 H2 ARG 1 16.448 -5.837 18.142 3 H3 ARG 1 H3 ARG 1 17.600 -6.775 18.852 4 HA ARG 1 HA ARG 1 17.811 -5.228 16.347 5 HB2 ARG 1 HB2 ARG 1 20.166 -5.950 16.171 6 HB3 ARG 1 HB3 ARG 1 19.836 -4.813 17.454 7 HG2 ARG 1 HG2 ARG 1 19.674 -7.343 18.737 8 HG3 ARG 1 HG3 ARG 1 21.012 -7.498 17.604 9 HD2 ARG 1 HD2 ARG 1 22.133 -5.564 18.558 10 HD3 ARG 1 HD3 ARG 1 20.711 -5.173 19.548 11 HE ARG 1 HE ARG 1 21.604 -7.824 20.170 12 HH11 ARG 1 HH11 ARG 1 22.589 -4.522 20.739 13 HH12 ARG 1 HH12 ARG 1 23.324 -4.907 22.272 14 HH21 ARG 1 HH21 ARG 1 22.528 -8.254 22.130 15 HH22 ARG 1 HH22 ARG 1 23.289 -6.974 23.027 16 HA PRO 2 HA PRO 2 16.291 -9.491 15.491 17 HB2 PRO 2 HB2 PRO 2 14.358 -8.931 13.644 18 HB3 PRO 2 HB3 PRO 2 14.120 -8.762 15.401 19 HG2 PRO 2 HG2 PRO 2 14.795 -6.578 13.414 20 HG3 PRO 2 HG3 PRO 2 13.540 -6.576 14.690 21 HD2 PRO 2 HD2 PRO 2 15.968 -5.402 15.065 22 HD3 PRO 2 HD3 PRO 2 15.109 -6.245 16.385 23 H CYS 3 H CYS 3 16.912 -6.971 13.113 24 HA CYS 3 HA CYS 3 18.482 -8.779 11.356 25 HB2 CYS 3 HB2 CYS 3 16.775 -6.866 9.898 26 HB3 CYS 3 HB3 CYS 3 17.158 -8.525 9.515 27 H LYS 4 H LYS 4 19.392 -7.247 9.470 28 HA LYS 4 HA LYS 4 20.531 -4.753 10.701 29 HB2 LYS 4 HB2 LYS 4 21.618 -6.437 8.422 30 HB3 LYS 4 HB3 LYS 4 22.406 -5.057 9.181 31 HG2 LYS 4 HG2 LYS 4 21.825 -7.753 10.502 32 HG3 LYS 4 HG3 LYS 4 23.370 -7.247 9.854 33 HD2 LYS 4 HD2 LYS 4 21.951 -5.884 12.190 34 HD3 LYS 4 HD3 LYS 4 23.229 -7.097 12.325 35 HE2 LYS 4 HE2 LYS 4 24.765 -5.613 11.024 36 HE3 LYS 4 HE3 LYS 4 23.510 -4.367 10.992 37 HZ1 LYS 4 HZ1 LYS 4 23.598 -4.319 13.433 38 HZ2 LYS 4 HZ2 LYS 4 25.074 -4.003 12.812 39 HZ3 LYS 4 HZ3 LYS 4 24.762 -5.469 13.455 40 H TYR 5 H TYR 5 19.998 -2.866 9.803 41 HA TYR 5 HA TYR 5 18.955 -2.741 7.007 42 HB2 TYR 5 HB2 TYR 5 17.644 -1.443 9.423 43 HB3 TYR 5 HB3 TYR 5 17.139 -1.249 7.762 44 HD1 TYR 5 HD2 TYR 5 15.906 -3.028 6.568 45 HD2 TYR 5 HD1 TYR 5 17.128 -3.478 10.676 46 HE1 TYR 5 HE2 TYR 5 14.062 -4.679 6.941 47 HE2 TYR 5 HE1 TYR 5 15.256 -5.074 11.063 48 HH TYR 5 HH TYR 5 13.462 -6.127 10.158 49 H LYS 6 H LYS 6 18.868 -0.677 6.099 50 HA LYS 6 HA LYS 6 20.861 1.338 7.025 51 HB2 LYS 6 HB2 LYS 6 19.403 0.949 4.384 52 HB3 LYS 6 HB3 LYS 6 20.706 2.103 4.663 53 HG2 LYS 6 HG2 LYS 6 22.372 0.467 4.656 54 HG3 LYS 6 HG3 LYS 6 21.303 -0.810 5.221 55 HD2 LYS 6 HD2 LYS 6 21.820 -1.304 2.962 56 HD3 LYS 6 HD3 LYS 6 20.113 -0.839 3.068 57 HE2 LYS 6 HE2 LYS 6 20.672 1.420 2.204 58 HE3 LYS 6 HE3 LYS 6 22.399 1.052 2.282 59 HZ1 LYS 6 HZ1 LYS 6 20.466 -0.321 0.488 60 HZ2 LYS 6 HZ2 LYS 6 22.068 -0.639 0.571 61 HZ3 LYS 6 HZ3 LYS 6 21.552 0.806 0.024 62 H LEU 7 H LEU 7 20.390 3.558 6.807 63 HA LEU 7 HA LEU 7 17.721 4.333 7.798 64 HB2 LEU 7 HB2 LEU 7 20.059 4.904 8.801 65 HB3 LEU 7 HB3 LEU 7 20.212 6.063 7.504 66 HG LEU 7 HG LEU 7 19.563 7.181 9.494 67 HD11 LEU 7 HD11 LEU 7 17.582 8.369 8.913 68 HD12 LEU 7 HD12 LEU 7 16.986 7.046 7.896 69 HD13 LEU 7 HD13 LEU 7 18.427 7.980 7.408 70 HD21 LEU 7 HD21 LEU 7 18.597 5.264 10.706 71 HD22 LEU 7 HD22 LEU 7 17.124 5.372 9.716 72 HD23 LEU 7 HD23 LEU 7 17.576 6.706 10.800 73 H LYS 8 H LYS 8 16.203 4.882 6.298 74 HA LYS 8 HA LYS 8 16.937 6.748 4.084 75 HB2 LYS 8 HB2 LYS 8 16.915 4.491 3.168 76 HB3 LYS 8 HB3 LYS 8 15.308 4.202 3.822 77 HG2 LYS 8 HG2 LYS 8 15.157 4.643 1.451 78 HG3 LYS 8 HG3 LYS 8 14.377 5.962 2.318 79 HD2 LYS 8 HD2 LYS 8 16.396 7.381 1.984 80 HD3 LYS 8 HD3 LYS 8 17.177 6.041 1.110 81 HE2 LYS 8 HE2 LYS 8 15.322 6.065 -0.549 82 HE3 LYS 8 HE3 LYS 8 14.535 7.375 0.341 83 HZ1 LYS 8 HZ1 LYS 8 15.825 8.224 -1.532 84 HZ2 LYS 8 HZ2 LYS 8 17.204 7.572 -0.954 85 HZ3 LYS 8 HZ3 LYS 8 16.459 8.781 -0.138 86 H LYS 9 H LYS 9 16.014 8.556 4.725 87 HA LYS 9 HA LYS 9 13.087 8.645 5.418 88 HB2 LYS 9 HB2 LYS 9 15.240 10.781 5.721 89 HB3 LYS 9 HB3 LYS 9 13.559 10.941 6.218 90 HG2 LYS 9 HG2 LYS 9 15.532 8.932 7.391 91 HG3 LYS 9 HG3 LYS 9 15.162 10.512 8.071 92 HD2 LYS 9 HD2 LYS 9 12.813 9.858 8.439 93 HD3 LYS 9 HD3 LYS 9 13.102 8.299 7.658 94 HE2 LYS 9 HE2 LYS 9 13.110 7.985 10.051 95 HE3 LYS 9 HE3 LYS 9 14.716 7.665 9.396 96 HZ1 LYS 9 HZ1 LYS 9 14.815 9.018 11.423 97 HZ2 LYS 9 HZ2 LYS 9 13.915 10.200 10.738 98 HZ3 LYS 9 HZ3 LYS 9 15.410 9.869 10.171 99 H SER 10 H SER 10 11.682 9.873 4.284 100 HA SER 10 HA SER 10 12.536 11.575 2.018 101 HB2 SER 10 HB2 SER 10 10.598 9.240 1.718 102 HB3 SER 10 HB3 SER 10 10.841 10.518 0.515 103 HG SER 10 HG SER 10 12.075 8.651 0.052 104 H THR 11 H THR 11 10.571 12.797 1.120 105 HA THR 11 HA THR 11 8.269 12.926 2.962 106 HB THR 11 HB THR 11 9.626 15.533 2.215 107 HG1 THR 11 HG1 THR 11 9.976 13.864 4.459 108 HG21 THR 11 HG21 THR 11 7.608 14.749 4.366 109 HG22 THR 11 HG22 THR 11 7.181 15.477 2.807 110 HG23 THR 11 HG23 THR 11 8.159 16.396 3.973 111 H ASN 12 H ASN 12 6.656 12.472 1.641 112 HA ASN 12 HA ASN 12 5.971 13.961 -0.732 113 HB2 ASN 12 HB2 ASN 12 6.427 12.074 -2.391 114 HB3 ASN 12 HB3 ASN 12 7.817 12.946 -1.783 115 HD21 ASN 12 HD21 ASN 12 6.026 10.129 -0.197 116 HD22 ASN 12 HD22 ASN 12 7.497 9.179 -0.278 117 H LYS 13 H LYS 13 4.265 12.824 -2.041 118 HA LYS 13 HA LYS 13 2.084 11.685 -0.547 119 HB2 LYS 13 HB2 LYS 13 1.195 11.272 -2.930 120 HB3 LYS 13 HB3 LYS 13 1.424 12.894 -2.360 121 HG2 LYS 13 HG2 LYS 13 3.703 11.753 -3.921 122 HG3 LYS 13 HG3 LYS 13 2.176 11.944 -4.774 123 HD2 LYS 13 HD2 LYS 13 2.027 14.307 -4.016 124 HD3 LYS 13 HD3 LYS 13 3.667 14.176 -3.352 125 HE2 LYS 13 HE2 LYS 13 4.488 13.507 -5.637 126 HE3 LYS 13 HE3 LYS 13 2.844 13.693 -6.258 127 HZ1 LYS 13 HZ1 LYS 13 2.958 16.059 -5.606 128 HZ2 LYS 13 HZ2 LYS 13 4.129 15.687 -6.682 129 HZ3 LYS 13 HZ3 LYS 13 4.504 15.875 -5.106 130 H PHE 14 H PHE 14 0.925 9.750 -1.523 131 HA PHE 14 HA PHE 14 2.650 7.404 -2.073 132 HB2 PHE 14 HB2 PHE 14 1.424 6.091 -0.275 133 HB3 PHE 14 HB3 PHE 14 2.641 7.229 0.272 134 HD1 PHE 14 HD1 PHE 14 -1.070 6.751 -0.075 135 HD2 PHE 14 HD2 PHE 14 2.112 9.016 1.760 136 HE1 PHE 14 HE1 PHE 14 -2.724 7.951 1.326 137 HE2 PHE 14 HE2 PHE 14 0.451 10.188 3.169 138 HZ PHE 14 HZ PHE 14 -1.968 9.746 2.892 139 H CYS 15 H CYS 15 1.657 5.751 -3.123 140 HA CYS 15 HA CYS 15 -1.087 6.297 -4.191 141 HB2 CYS 15 HB2 CYS 15 0.788 6.230 -5.826 142 HB3 CYS 15 HB3 CYS 15 1.073 4.550 -5.413 143 H VAL 16 H VAL 16 -2.578 4.778 -4.180 144 HA VAL 16 HA VAL 16 -2.256 2.158 -2.804 145 HB VAL 16 HB VAL 16 -4.060 2.681 -1.180 146 HG11 VAL 16 HG11 VAL 16 -1.585 4.362 -0.776 147 HG12 VAL 16 HG12 VAL 16 -2.776 3.905 0.455 148 HG13 VAL 16 HG13 VAL 16 -1.831 2.647 -0.346 149 HG21 VAL 16 HG21 VAL 16 -3.527 5.618 -1.701 150 HG22 VAL 16 HG22 VAL 16 -4.879 4.741 -2.427 151 HG23 VAL 16 HG23 VAL 16 -4.762 4.872 -0.659 152 H THR 17 H THR 17 -4.611 1.152 -2.526 153 HA THR 17 HA THR 17 -6.294 1.765 -4.952 154 HB THR 17 HB THR 17 -5.961 -0.990 -3.747 155 HG1 THR 17 HG1 THR 17 -4.593 0.119 -5.978 156 HG21 THR 17 HG21 THR 17 -6.854 -0.115 -6.509 157 HG22 THR 17 HG22 THR 17 -7.937 -0.652 -5.196 158 HG23 THR 17 HG23 THR 17 -6.762 -1.773 -5.897 159 H CYS 18 H CYS 18 -8.344 2.465 -4.406 160 HA CYS 18 HA CYS 18 -9.480 1.771 -1.761 161 HB2 CYS 18 HB2 CYS 18 -10.027 3.919 -3.770 162 HB3 CYS 18 HB3 CYS 18 -11.385 3.260 -2.870 163 H GLU 19 H GLU 19 -11.007 0.369 -1.451 164 HA GLU 19 HA GLU 19 -12.699 -0.579 -3.691 165 HB2 GLU 19 HB2 GLU 19 -10.772 -2.203 -3.266 166 HB3 GLU 19 HB3 GLU 19 -11.465 -2.484 -1.665 167 HG2 GLU 19 HG2 GLU 19 -13.672 -3.036 -2.866 168 HG3 GLU 19 HG3 GLU 19 -12.771 -2.990 -4.376 169 H ASN 20 H ASN 20 -14.675 -0.052 -3.100 170 HA ASN 20 HA ASN 20 -16.502 0.557 -1.906 171 HB2 ASN 20 HB2 ASN 20 -15.557 -1.617 -0.008 172 HB3 ASN 20 HB3 ASN 20 -17.050 -0.718 0.204 173 HD21 ASN 20 HD21 ASN 20 -15.374 -2.686 -2.346 174 HD22 ASN 20 HD22 ASN 20 -16.897 -3.358 -2.919 175 H GLN 21 H GLN 21 -14.761 2.376 -1.909 176 HA GLN 21 HA GLN 21 -14.360 4.446 -1.107 177 HB2 GLN 21 HB2 GLN 21 -16.378 3.847 1.079 178 HB3 GLN 21 HB3 GLN 21 -15.852 5.418 0.483 179 HG2 GLN 21 HG2 GLN 21 -17.735 5.316 -0.760 180 HG3 GLN 21 HG3 GLN 21 -16.731 4.356 -1.848 181 HE21 GLN 21 HE21 GLN 21 -17.937 2.607 -2.571 182 HE22 GLN 21 HE22 GLN 21 -19.085 1.753 -1.536 183 H ALA 22 H ALA 22 -12.574 2.319 -0.069 184 HA ALA 22 HA ALA 22 -11.287 3.777 2.060 185 HB1 ALA 22 HB1 ALA 22 -13.059 2.529 3.282 186 HB2 ALA 22 HB2 ALA 22 -12.473 1.010 2.570 187 HB3 ALA 22 HB3 ALA 22 -11.447 1.949 3.693 188 HA PRO 23 HA PRO 23 -8.126 1.715 -0.316 189 HB2 PRO 23 HB2 PRO 23 -5.895 2.770 0.763 190 HB3 PRO 23 HB3 PRO 23 -7.105 3.693 -0.210 191 HG2 PRO 23 HG2 PRO 23 -6.945 3.533 2.810 192 HG3 PRO 23 HG3 PRO 23 -7.007 4.997 1.786 193 HD2 PRO 23 HD2 PRO 23 -9.251 3.875 2.912 194 HD3 PRO 23 HD3 PRO 23 -9.279 4.667 1.310 195 H VAL 24 H VAL 24 -8.045 -0.379 -0.137 196 HA VAL 24 HA VAL 24 -6.943 -1.702 2.294 197 HB VAL 24 HB VAL 24 -8.174 -3.643 1.848 198 HG11 VAL 24 HG11 VAL 24 -10.193 -1.510 1.076 199 HG12 VAL 24 HG12 VAL 24 -10.403 -2.937 2.109 200 HG13 VAL 24 HG13 VAL 24 -9.456 -1.541 2.672 201 HG21 VAL 24 HG21 VAL 24 -7.999 -3.884 -0.580 202 HG22 VAL 24 HG22 VAL 24 -9.679 -3.956 -0.070 203 HG23 VAL 24 HG23 VAL 24 -9.048 -2.467 -0.827 204 H HIS 25 H HIS 25 -5.416 -0.523 -0.163 205 HA HIS 25 HA HIS 25 -3.499 -2.745 -0.178 206 HB2 HIS 25 HB2 HIS 25 -5.256 -2.911 -2.242 207 HB3 HIS 25 HB3 HIS 25 -4.151 -1.741 -2.935 208 HD1 HIS 25 HD1 HIS 25 -1.635 -2.669 -3.575 209 HD2 HIS 25 HD2 HIS 25 -4.418 -5.379 -1.927 210 HE1 HIS 25 HE1 HIS 25 -0.794 -5.016 -4.178 211 HE2 HIS 25 HE2 HIS 25 -2.495 -6.690 -3.184 212 H PHE 26 H PHE 26 -1.406 -2.069 -0.571 213 HA PHE 26 HA PHE 26 -0.924 0.831 -0.990 214 HB2 PHE 26 HB2 PHE 26 0.220 -0.409 0.866 215 HB3 PHE 26 HB3 PHE 26 0.961 -1.465 -0.320 216 HD1 PHE 26 HD1 PHE 26 0.588 2.326 -0.216 217 HD2 PHE 26 HD2 PHE 26 3.291 -1.055 -0.140 218 HE1 PHE 26 HE1 PHE 26 2.519 3.847 -0.324 219 HE2 PHE 26 HE2 PHE 26 5.203 0.481 -0.283 220 HZ PHE 26 HZ PHE 26 4.829 2.943 -0.383 221 H VAL 27 H VAL 27 0.206 1.611 -2.778 222 HA VAL 27 HA VAL 27 0.835 -0.361 -4.984 223 HB VAL 27 HB VAL 27 -0.249 2.443 -5.294 224 HG11 VAL 27 HG11 VAL 27 -0.393 1.871 -7.718 225 HG12 VAL 27 HG12 VAL 27 1.265 1.968 -7.129 226 HG13 VAL 27 HG13 VAL 27 0.512 0.377 -7.395 227 HG21 VAL 27 HG21 VAL 27 -1.991 0.784 -4.630 228 HG22 VAL 27 HG22 VAL 27 -2.218 1.414 -6.261 229 HG23 VAL 27 HG23 VAL 27 -1.533 -0.214 -6.023 230 H GLY 28 H GLY 28 1.831 2.836 -3.588 231 HA2 GLY 28 HA2 GLY 28 4.607 2.316 -4.001 232 HA3 GLY 28 HA3 GLY 28 3.987 3.262 -5.362 233 H VAL 29 H VAL 29 5.817 4.532 -4.265 234 HA VAL 29 HA VAL 29 4.711 6.499 -2.314 235 HB VAL 29 HB VAL 29 5.960 4.963 -1.022 236 HG11 VAL 29 HG11 VAL 29 8.343 4.517 -1.260 237 HG12 VAL 29 HG12 VAL 29 7.466 3.937 -2.679 238 HG13 VAL 29 HG13 VAL 29 8.402 5.448 -2.768 239 HG21 VAL 29 HG21 VAL 29 6.116 7.357 -0.497 240 HG22 VAL 29 HG22 VAL 29 7.540 6.436 0.038 241 HG23 VAL 29 HG23 VAL 29 7.649 7.448 -1.416 242 H GLY 30 H GLY 30 4.799 8.505 -3.008 243 HA2 GLY 30 HA2 GLY 30 5.390 10.379 -4.228 244 HA3 GLY 30 HA3 GLY 30 6.924 9.622 -4.629 245 H SER 31 H SER 31 4.436 7.553 -5.568 246 HA SER 31 HA SER 31 3.678 8.419 -8.159 247 HB2 SER 31 HB2 SER 31 5.114 7.010 -9.537 248 HB3 SER 31 HB3 SER 31 6.094 8.190 -8.666 249 HG SER 31 HG SER 31 7.020 6.106 -8.571 250 H CYS 32 H CYS 32 2.837 6.433 -9.430 251 HA CYS 32 HA CYS 32 1.994 4.184 -7.681 252 HB2 CYS 32 HB2 CYS 32 0.817 5.204 -10.291 253 HB3 CYS 32 HB3 CYS 32 0.255 3.803 -9.394 254 H GLY 33 H GLY 33 2.540 2.174 -8.391 255 HA2 GLY 33 HA2 GLY 33 4.690 1.765 -10.329 256 HA3 GLY 33 HA3 GLY 33 3.781 0.505 -9.485 257 H SER 34 H SER 34 4.543 0.451 -12.245 258 HA SER 34 HA SER 34 2.279 1.064 -13.956 259 HB2 SER 34 HB2 SER 34 4.729 0.797 -14.649 260 HB3 SER 34 HB3 SER 34 4.478 -0.953 -14.520 261 HG SER 34 HG SER 34 3.240 0.932 -16.266 262 H GLY 35 H GLY 35 0.983 -0.502 -15.109 263 HA2 GLY 35 HA2 GLY 35 -0.098 -2.627 -13.341 264 HA3 GLY 35 HA3 GLY 35 -0.858 -1.956 -14.781 265 H GLY 36 H GLY 36 -1.049 -4.545 -14.539 266 HA2 GLY 36 HA2 GLY 36 -0.977 -6.357 -15.975 267 HA3 GLY 36 HA3 GLY 36 0.283 -5.564 -16.916 268 H SER 37 H SER 37 1.413 -5.606 -13.847 269 HA SER 37 HA SER 37 3.304 -7.794 -14.314 270 HB2 SER 37 HB2 SER 37 2.938 -5.965 -11.907 271 HB3 SER 37 HB3 SER 37 4.302 -7.069 -12.174 272 HG SER 37 HG SER 37 4.770 -4.924 -12.861 273 H GLY 38 H GLY 38 3.811 -9.440 -12.729 274 HA2 GLY 38 HA2 GLY 38 1.391 -10.777 -11.596 275 HA3 GLY 38 HA3 GLY 38 2.858 -11.556 -12.169 276 H ILE 39 H ILE 39 3.354 -8.815 -10.152 277 HA ILE 39 HA ILE 39 4.964 -10.248 -8.294 278 HB ILE 39 HB ILE 39 3.758 -7.484 -7.975 279 HG12 ILE 39 HG12 ILE 39 6.505 -8.198 -9.115 280 HG13 ILE 39 HG13 ILE 39 5.111 -7.849 -10.127 281 HG21 ILE 39 HG21 ILE 39 4.675 -8.269 -5.849 282 HG22 ILE 39 HG22 ILE 39 6.197 -8.757 -6.648 283 HG23 ILE 39 HG23 ILE 39 5.740 -7.050 -6.502 284 HD11 ILE 39 HD11 ILE 39 6.459 -5.885 -8.251 285 HD12 ILE 39 HD12 ILE 39 6.405 -5.860 -10.018 286 HD13 ILE 39 HD13 ILE 39 4.917 -5.583 -9.093 287 H PHE 40 H PHE 40 4.644 -11.058 -6.366 288 HA PHE 40 HA PHE 40 2.108 -10.718 -4.843 289 HB2 PHE 40 HB2 PHE 40 2.172 -12.753 -6.530 290 HB3 PHE 40 HB3 PHE 40 3.157 -13.513 -5.297 291 HD1 PHE 40 HD1 PHE 40 -0.148 -11.982 -6.070 292 HD2 PHE 40 HD2 PHE 40 2.089 -14.341 -3.235 293 HE1 PHE 40 HE1 PHE 40 -2.258 -12.570 -4.897 294 HE2 PHE 40 HE2 PHE 40 -0.025 -14.925 -2.061 295 HZ PHE 40 HZ PHE 40 -2.198 -14.039 -2.888 296 H LEU 41 H LEU 41 5.020 -9.927 -4.424 297 HA LEU 41 HA LEU 41 6.009 -11.676 -2.264 298 HB2 LEU 41 HB2 LEU 41 7.044 -9.111 -3.555 299 HB3 LEU 41 HB3 LEU 41 7.903 -9.974 -2.286 300 HG LEU 41 HG LEU 41 7.196 -11.260 -4.962 301 HD11 LEU 41 HD11 LEU 41 9.536 -10.850 -5.593 302 HD12 LEU 41 HD12 LEU 41 9.793 -9.929 -4.093 303 HD13 LEU 41 HD13 LEU 41 8.669 -9.330 -5.333 304 HD21 LEU 41 HD21 LEU 41 7.682 -12.872 -3.144 305 HD22 LEU 41 HD22 LEU 41 9.200 -12.017 -2.786 306 HD23 LEU 41 HD23 LEU 41 8.985 -12.853 -4.339 307 H GLU 42 H GLU 42 3.972 -8.997 -2.505 308 HA GLU 42 HA GLU 42 4.585 -7.763 0.086 309 HB2 GLU 42 HB2 GLU 42 3.711 -6.777 -2.300 310 HB3 GLU 42 HB3 GLU 42 2.149 -7.024 -1.518 311 HG2 GLU 42 HG2 GLU 42 2.979 -5.649 0.411 312 HG3 GLU 42 HG3 GLU 42 4.533 -5.480 -0.431 313 H THR 43 H THR 43 2.631 -7.198 1.506 314 HA THR 43 HA THR 43 1.326 -9.487 2.600 315 HB THR 43 HB THR 43 0.541 -6.553 2.797 316 HG1 THR 43 HG1 THR 43 2.269 -8.174 4.355 317 HG21 THR 43 HG21 THR 43 -0.398 -7.165 5.006 318 HG22 THR 43 HG22 THR 43 -0.084 -8.883 4.664 319 HG23 THR 43 HG23 THR 43 -1.259 -7.969 3.690 320 H SER 44 H SER 44 0.292 -7.231 0.128 321 HA SER 44 HA SER 44 -1.576 -6.889 -1.059 322 HB2 SER 44 HB2 SER 44 -0.414 -8.885 -2.090 323 HB3 SER 44 HB3 SER 44 -1.700 -9.889 -1.393 324 HG SER 44 HG SER 44 -2.272 -9.222 -3.487 325 H LEU 45 H LEU 45 -2.688 -6.111 0.798 326 HA LEU 45 HA LEU 45 -4.510 -7.604 2.363 327 HB2 LEU 45 HB2 LEU 45 -4.122 -4.633 1.851 328 HB3 LEU 45 HB3 LEU 45 -5.342 -5.225 2.954 329 HG LEU 45 HG LEU 45 -3.212 -6.563 3.971 330 HD11 LEU 45 HD11 LEU 45 -1.240 -5.038 3.976 331 HD12 LEU 45 HD12 LEU 45 -2.034 -3.996 2.783 332 HD13 LEU 45 HD13 LEU 45 -1.558 -5.650 2.351 333 HD21 LEU 45 HD21 LEU 45 -4.674 -4.997 5.206 334 HD22 LEU 45 HD22 LEU 45 -3.852 -3.635 4.432 335 HD23 LEU 45 HD23 LEU 45 -2.973 -4.684 5.573 336 H SER 46 H SER 46 -5.047 -7.173 -0.820 337 HA SER 46 HA SER 46 -7.733 -6.170 -1.042 338 HB2 SER 46 HB2 SER 46 -6.211 -8.125 -2.807 339 HB3 SER 46 HB3 SER 46 -7.818 -7.484 -3.192 340 HG SER 46 HG SER 46 -6.227 -6.228 -4.174 341 H ALA 47 H ALA 47 -6.574 -9.406 -0.246 342 HA ALA 47 HA ALA 47 -9.374 -10.358 0.148 343 HB1 ALA 47 HB1 ALA 47 -7.164 -11.844 -1.332 344 HB2 ALA 47 HB2 ALA 47 -8.767 -12.493 -0.918 345 HB3 ALA 47 HB3 ALA 47 -8.628 -11.138 -2.053 346 H GLY 48 H GLY 48 -9.608 -10.886 2.184 347 HA2 GLY 48 HA2 GLY 48 -9.205 -12.119 4.164 348 HA3 GLY 48 HA3 GLY 48 -7.525 -12.358 3.708 349 H SER 49 H SER 49 -8.141 -9.062 3.239 350 HA SER 49 HA SER 49 -7.882 -8.247 6.058 351 HB2 SER 49 HB2 SER 49 -6.037 -7.155 3.929 352 HB3 SER 49 HB3 SER 49 -6.043 -6.762 5.641 353 HG SER 49 HG SER 49 -5.515 -9.059 5.987 354 H ASP 50 H ASP 50 -7.629 -5.557 5.763 355 HA ASP 50 HA ASP 50 -9.533 -4.455 3.918 356 HB2 ASP 50 HB2 ASP 50 -11.148 -3.771 5.713 357 HB3 ASP 50 HB3 ASP 50 -11.145 -5.488 5.371 358 H TRP 51 H TRP 51 -10.021 -2.196 4.673 359 HA TRP 51 HA TRP 51 -7.681 -0.610 4.885 360 HB2 TRP 51 HB2 TRP 51 -9.320 0.586 3.916 361 HB3 TRP 51 HB3 TRP 51 -10.606 -0.171 4.816 362 HD1 TRP 51 HD1 TRP 51 -11.622 1.143 6.785 363 HE1 TRP 51 HE1 TRP 51 -11.151 3.413 7.914 364 HE3 TRP 51 HE3 TRP 51 -7.086 2.168 4.682 365 HZ2 TRP 51 HZ2 TRP 51 -9.071 5.410 7.892 366 HZ3 TRP 51 HZ3 TRP 51 -5.848 4.238 5.281 367 HH2 TRP 51 HH2 TRP 51 -6.835 5.877 6.853 368 H LEU 52 H LEU 52 -9.799 -1.820 7.462 369 HA LEU 52 HA LEU 52 -8.904 -0.015 9.509 370 HB2 LEU 52 HB2 LEU 52 -10.959 -1.822 9.280 371 HB3 LEU 52 HB3 LEU 52 -9.858 -2.726 10.298 372 HG LEU 52 HG LEU 52 -11.490 -1.561 11.613 373 HD11 LEU 52 HD11 LEU 52 -10.117 -0.357 13.193 374 HD12 LEU 52 HD12 LEU 52 -8.855 -0.085 11.974 375 HD13 LEU 52 HD13 LEU 52 -9.194 -1.733 12.560 376 HD21 LEU 52 HD21 LEU 52 -11.768 0.829 11.709 377 HD22 LEU 52 HD22 LEU 52 -12.016 0.276 10.046 378 HD23 LEU 52 HD23 LEU 52 -10.502 1.089 10.498 379 H THR 53 H THR 53 -7.829 -3.323 8.547 380 HA THR 53 HA THR 53 -5.566 -3.225 10.412 381 HB THR 53 HB THR 53 -4.848 -5.311 9.353 382 HG1 THR 53 HG1 THR 53 -6.319 -6.321 7.945 383 HG21 THR 53 HG21 THR 53 -6.676 -6.695 10.179 384 HG22 THR 53 HG22 THR 53 -7.796 -5.318 10.113 385 HG23 THR 53 HG23 THR 53 -6.436 -5.311 11.259 386 H PHE 54 H PHE 54 -5.980 -2.384 7.010 387 HA PHE 54 HA PHE 54 -3.345 -2.279 6.081 388 HB2 PHE 54 HB2 PHE 54 -5.271 -1.818 4.657 389 HB3 PHE 54 HB3 PHE 54 -5.689 -0.420 5.622 390 HD1 PHE 54 HD2 PHE 54 -3.312 -1.672 3.085 391 HD2 PHE 54 HD1 PHE 54 -4.714 1.726 5.333 392 HE1 PHE 54 HE2 PHE 54 -2.034 -0.142 1.600 393 HE2 PHE 54 HE1 PHE 54 -3.469 3.255 3.809 394 HZ PHE 54 HZ PHE 54 -2.120 2.314 1.958 395 H GLN 55 H GLN 55 -4.983 0.176 8.022 396 HA GLN 55 HA GLN 55 -2.883 2.094 8.205 397 HB2 GLN 55 HB2 GLN 55 -5.078 1.309 10.158 398 HB3 GLN 55 HB3 GLN 55 -4.027 2.712 10.392 399 HG2 GLN 55 HG2 GLN 55 -4.927 3.874 8.554 400 HG3 GLN 55 HG3 GLN 55 -5.568 2.408 7.801 401 HE21 GLN 55 HE21 GLN 55 -7.551 1.555 8.438 402 HE22 GLN 55 HE22 GLN 55 -8.587 2.434 9.550 403 H LYS 56 H LYS 56 -3.758 -0.390 10.611 404 HA LYS 56 HA LYS 56 -1.409 -0.071 12.237 405 HB2 LYS 56 HB2 LYS 56 -3.048 -2.631 11.943 406 HB3 LYS 56 HB3 LYS 56 -1.813 -2.330 13.141 407 HG2 LYS 56 HG2 LYS 56 -3.652 -1.900 14.376 408 HG3 LYS 56 HG3 LYS 56 -3.223 -0.265 13.868 409 HD2 LYS 56 HD2 LYS 56 -4.958 -0.353 12.114 410 HD3 LYS 56 HD3 LYS 56 -5.340 -2.029 12.531 411 HE2 LYS 56 HE2 LYS 56 -5.664 0.381 14.379 412 HE3 LYS 56 HE3 LYS 56 -6.951 -0.315 13.389 413 HZ1 LYS 56 HZ1 LYS 56 -5.532 -1.734 15.580 414 HZ2 LYS 56 HZ2 LYS 56 -6.676 -2.411 14.624 415 HZ3 LYS 56 HZ3 LYS 56 -7.065 -1.186 15.627 416 H LYS 57 H LYS 57 -1.724 -1.880 9.282 417 HA LYS 57 HA LYS 57 0.624 -3.483 9.515 418 HB2 LYS 57 HB2 LYS 57 -1.433 -3.051 7.558 419 HB3 LYS 57 HB3 LYS 57 0.097 -2.887 6.715 420 HG2 LYS 57 HG2 LYS 57 -0.557 -5.216 8.561 421 HG3 LYS 57 HG3 LYS 57 -0.907 -5.230 6.833 422 HD2 LYS 57 HD2 LYS 57 1.382 -5.091 6.211 423 HD3 LYS 57 HD3 LYS 57 1.919 -4.700 7.843 424 HE2 LYS 57 HE2 LYS 57 0.593 -7.343 7.114 425 HE3 LYS 57 HE3 LYS 57 2.338 -7.078 7.037 426 HZ1 LYS 57 HZ1 LYS 57 1.722 -8.042 9.162 427 HZ2 LYS 57 HZ2 LYS 57 0.696 -6.823 9.504 428 HZ3 LYS 57 HZ3 LYS 57 2.307 -6.538 9.415 429 H HIS 58 H HIS 58 0.378 -0.290 7.843 430 HA HIS 58 HA HIS 58 3.316 0.041 8.255 431 HB2 HIS 58 HB2 HIS 58 3.836 0.272 5.966 432 HB3 HIS 58 HB3 HIS 58 2.945 -1.234 6.107 433 HD1 HIS 58 HD1 HIS 58 2.963 1.953 4.276 434 HD2 HIS 58 HD2 HIS 58 0.092 -0.894 5.511 435 HE1 HIS 58 HE1 HIS 58 0.772 2.433 2.940 436 HE2 HIS 58 HE2 HIS 58 -0.954 0.699 3.739 437 H ILE 59 H ILE 59 0.821 1.482 9.133 438 HA ILE 59 HA ILE 59 1.707 4.240 8.383 439 HB ILE 59 HB ILE 59 -1.220 3.504 8.721 440 HG12 ILE 59 HG12 ILE 59 0.499 3.722 6.235 441 HG13 ILE 59 HG13 ILE 59 -0.615 2.444 6.690 442 HG21 ILE 59 HG21 ILE 59 -0.647 5.856 9.312 443 HG22 ILE 59 HG22 ILE 59 0.075 6.056 7.698 444 HG23 ILE 59 HG23 ILE 59 -1.664 5.763 7.907 445 HD11 ILE 59 HD11 ILE 59 -2.532 3.984 6.250 446 HD12 ILE 59 HD12 ILE 59 -1.368 5.227 5.708 447 HD13 ILE 59 HD13 ILE 59 -1.488 3.706 4.831 448 H THR 60 H THR 60 1.607 5.751 9.991 449 HA THR 60 HA THR 60 0.547 4.968 12.659 450 HB THR 60 HB THR 60 2.832 4.160 12.740 451 HG1 THR 60 HG1 THR 60 3.410 5.321 14.596 452 HG21 THR 60 HG21 THR 60 3.733 7.044 12.298 453 HG22 THR 60 HG22 THR 60 3.940 5.712 11.139 454 HG23 THR 60 HG23 THR 60 4.756 5.648 12.704 455 H ASN 61 H ASN 61 0.259 6.618 14.146 456 HA ASN 61 HA ASN 61 -0.026 9.388 13.114 457 HB2 ASN 61 HB2 ASN 61 -1.013 7.926 15.608 458 HB3 ASN 61 HB3 ASN 61 -1.182 9.653 15.360 459 HD21 ASN 61 HD21 ASN 61 -2.614 6.583 14.634 460 HD22 ASN 61 HD22 ASN 61 -3.827 7.246 13.549 461 H THR 62 H THR 62 2.415 7.572 14.447 462 HA THR 62 HA THR 62 4.038 9.877 15.078 463 HB THR 62 HB THR 62 2.971 9.880 17.180 464 HG1 THR 62 HG1 THR 62 5.330 8.479 17.743 465 HG21 THR 62 HG21 THR 62 2.889 8.079 18.775 466 HG22 THR 62 HG22 THR 62 3.670 6.958 17.648 467 HG23 THR 62 HG23 THR 62 2.047 7.582 17.299 468 H ARG 63 H ARG 63 5.688 9.261 13.786 469 HA ARG 63 HA ARG 63 6.677 6.527 13.577 470 HB2 ARG 63 HB2 ARG 63 6.973 8.189 11.730 471 HB3 ARG 63 HB3 ARG 63 8.054 9.113 12.782 472 HG2 ARG 63 HG2 ARG 63 9.337 6.739 12.955 473 HG3 ARG 63 HG3 ARG 63 8.408 6.380 11.505 474 HD2 ARG 63 HD2 ARG 63 10.565 7.205 10.851 475 HD3 ARG 63 HD3 ARG 63 9.359 8.438 10.454 476 HE ARG 63 HE ARG 63 10.318 9.888 12.001 477 HH11 ARG 63 HH11 ARG 63 11.743 6.728 12.670 478 HH12 ARG 63 HH12 ARG 63 12.851 7.398 13.811 479 HH21 ARG 63 HH21 ARG 63 11.741 10.637 13.500 480 HH22 ARG 63 HH22 ARG 63 12.856 9.547 14.263 481 H ASP 64 H ASP 64 7.291 5.644 15.413 482 HA ASP 64 HA ASP 64 9.608 6.825 16.903 483 HB2 ASP 64 HB2 ASP 64 7.415 6.505 18.121 484 HB3 ASP 64 HB3 ASP 64 7.593 4.769 17.872 485 H VAL 65 H VAL 65 9.209 4.779 14.476 486 HA VAL 65 HA VAL 65 10.590 2.381 15.436 487 HB VAL 65 HB VAL 65 9.791 3.179 12.603 488 HG11 VAL 65 HG11 VAL 65 10.874 0.618 13.830 489 HG12 VAL 65 HG12 VAL 65 9.945 0.604 12.332 490 HG13 VAL 65 HG13 VAL 65 11.466 1.496 12.390 491 HG21 VAL 65 HG21 VAL 65 7.816 2.919 14.083 492 HG22 VAL 65 HG22 VAL 65 7.927 1.585 12.941 493 HG23 VAL 65 HG23 VAL 65 8.428 1.342 14.629 494 H ASP 66 H ASP 66 12.625 1.726 15.024 495 HA ASP 66 HA ASP 66 14.572 3.590 13.715 496 HB2 ASP 66 HB2 ASP 66 14.429 3.699 16.265 497 HB3 ASP 66 HB3 ASP 66 15.040 2.043 16.282 498 H CYS 67 H CYS 67 13.244 0.744 13.217 499 HA CYS 67 HA CYS 67 13.753 -1.348 12.513 500 HB2 CYS 67 HB2 CYS 67 15.770 0.275 10.974 501 HB3 CYS 67 HB3 CYS 67 15.280 -1.373 10.560 502 H ASP 68 H ASP 68 14.589 -1.228 14.928 503 HA ASP 68 HA ASP 68 16.674 -3.264 15.116 504 HB2 ASP 68 HB2 ASP 68 17.151 -0.446 15.992 505 HB3 ASP 68 HB3 ASP 68 17.525 -1.663 17.199 506 H ASN 69 H ASN 69 14.122 -1.364 16.697 507 HA ASN 69 HA ASN 69 13.917 -3.362 18.874 508 HB2 ASN 69 HB2 ASN 69 12.583 -1.706 20.050 509 HB3 ASN 69 HB3 ASN 69 14.200 -1.135 19.655 510 HD21 ASN 69 HD21 ASN 69 14.425 0.652 18.383 511 HD22 ASN 69 HD22 ASN 69 13.044 1.576 17.785 512 H ILE 70 H ILE 70 12.547 -2.871 15.877 513 HA ILE 70 HA ILE 70 9.779 -3.277 16.260 514 HB ILE 70 HB ILE 70 9.716 -3.953 13.931 515 HG12 ILE 70 HG12 ILE 70 12.731 -4.254 14.200 516 HG13 ILE 70 HG13 ILE 70 11.536 -5.437 13.641 517 HG21 ILE 70 HG21 ILE 70 9.969 -1.570 14.684 518 HG22 ILE 70 HG22 ILE 70 11.706 -1.687 14.320 519 HG23 ILE 70 HG23 ILE 70 10.496 -1.873 13.029 520 HD11 ILE 70 HD11 ILE 70 11.141 -4.038 11.624 521 HD12 ILE 70 HD12 ILE 70 12.427 -2.942 12.181 522 HD13 ILE 70 HD13 ILE 70 12.818 -4.618 11.776 523 H MET 71 H MET 71 12.235 -5.466 16.867 524 HA MET 71 HA MET 71 10.926 -8.010 16.561 525 HB2 MET 71 HB2 MET 71 13.348 -7.427 17.271 526 HB3 MET 71 HB3 MET 71 12.725 -7.323 18.912 527 HG2 MET 71 HG2 MET 71 12.361 -9.746 17.099 528 HG3 MET 71 HG3 MET 71 13.777 -9.524 18.110 529 HE1 MET 71 HE1 MET 71 11.702 -12.052 18.019 530 HE2 MET 71 HE2 MET 71 10.441 -12.025 19.271 531 HE3 MET 71 HE3 MET 71 10.296 -10.974 17.847 532 H SER 72 H SER 72 10.503 -5.435 18.930 533 HA SER 72 HA SER 72 8.665 -6.970 20.647 534 HB2 SER 72 HB2 SER 72 10.473 -5.286 21.374 535 HB3 SER 72 HB3 SER 72 9.350 -4.025 20.841 536 HG SER 72 HG SER 72 9.162 -4.571 23.093 537 H THR 73 H THR 73 8.193 -5.314 17.719 538 HA THR 73 HA THR 73 5.461 -4.336 18.461 539 HB THR 73 HB THR 73 5.558 -2.743 16.731 540 HG1 THR 73 HG1 THR 73 7.418 -2.565 15.409 541 HG21 THR 73 HG21 THR 73 6.799 -2.083 18.789 542 HG22 THR 73 HG22 THR 73 7.408 -1.294 17.323 543 HG23 THR 73 HG23 THR 73 8.311 -2.642 18.038 544 H ASN 74 H ASN 74 4.176 -4.146 16.144 545 HA ASN 74 HA ASN 74 3.443 -6.820 15.425 546 HB2 ASN 74 HB2 ASN 74 2.935 -4.246 13.862 547 HB3 ASN 74 HB3 ASN 74 2.045 -5.755 13.719 548 HD21 ASN 74 HD21 ASN 74 2.006 -2.717 15.172 549 HD22 ASN 74 HD22 ASN 74 0.803 -3.099 16.397 550 H LEU 75 H LEU 75 6.011 -4.837 14.232 551 HA LEU 75 HA LEU 75 6.132 -6.079 11.574 552 HB2 LEU 75 HB2 LEU 75 7.776 -3.862 12.841 553 HB3 LEU 75 HB3 LEU 75 7.776 -4.318 11.157 554 HG LEU 75 HG LEU 75 6.528 -2.464 11.066 555 HD11 LEU 75 HD11 LEU 75 4.215 -2.946 10.648 556 HD12 LEU 75 HD12 LEU 75 4.298 -4.456 11.558 557 HD13 LEU 75 HD13 LEU 75 5.217 -4.277 10.042 558 HD21 LEU 75 HD21 LEU 75 5.042 -3.095 13.632 559 HD22 LEU 75 HD22 LEU 75 4.855 -1.657 12.617 560 HD23 LEU 75 HD23 LEU 75 6.391 -1.954 13.439 561 H PHE 76 H PHE 76 6.971 -7.566 14.092 562 HA PHE 76 HA PHE 76 9.805 -7.827 14.252 563 HB2 PHE 76 HB2 PHE 76 9.388 -9.511 15.829 564 HB3 PHE 76 HB3 PHE 76 8.144 -8.297 16.065 565 HD1 PHE 76 HD1 PHE 76 5.758 -8.803 15.259 566 HD2 PHE 76 HD2 PHE 76 8.875 -11.775 15.302 567 HE1 PHE 76 HE1 PHE 76 4.046 -10.590 15.178 568 HE2 PHE 76 HE2 PHE 76 7.158 -13.570 15.208 569 HZ PHE 76 HZ PHE 76 4.741 -12.982 15.157 570 H HIS 77 H HIS 77 7.761 -8.995 11.957 571 HA HIS 77 HA HIS 77 8.532 -11.643 11.403 572 HB2 HIS 77 HB2 HIS 77 7.431 -9.466 9.586 573 HB3 HIS 77 HB3 HIS 77 7.403 -11.197 9.207 574 HD1 HIS 77 HD1 HIS 77 5.997 -12.691 11.265 575 HD2 HIS 77 HD2 HIS 77 5.324 -8.542 10.782 576 HE1 HIS 77 HE1 HIS 77 3.799 -12.154 12.492 577 HE2 HIS 77 HE2 HIS 77 3.417 -9.614 12.215 578 H CYS 78 H CYS 78 10.606 -9.130 11.154 579 HA CYS 78 HA CYS 78 12.526 -8.606 10.063 580 HB2 CYS 78 HB2 CYS 78 12.915 -10.608 11.530 581 HB3 CYS 78 HB3 CYS 78 12.921 -11.607 10.083 582 H LYS 79 H LYS 79 10.441 -8.703 8.232 583 HA LYS 79 HA LYS 79 11.204 -9.691 5.646 584 HB2 LYS 79 HB2 LYS 79 9.550 -7.920 4.833 585 HB3 LYS 79 HB3 LYS 79 8.971 -9.196 5.882 586 HG2 LYS 79 HG2 LYS 79 7.913 -7.161 6.499 587 HG3 LYS 79 HG3 LYS 79 8.941 -7.686 7.816 588 HD2 LYS 79 HD2 LYS 79 10.285 -5.814 5.955 589 HD3 LYS 79 HD3 LYS 79 8.820 -5.139 6.634 590 HE2 LYS 79 HE2 LYS 79 11.079 -6.314 8.320 591 HE3 LYS 79 HE3 LYS 79 10.976 -4.622 7.864 592 HZ1 LYS 79 HZ1 LYS 79 8.955 -6.057 9.509 593 HZ2 LYS 79 HZ2 LYS 79 8.789 -4.507 8.993 594 HZ3 LYS 79 HZ3 LYS 79 9.995 -4.934 10.033 595 H ASP 80 H ASP 80 11.707 -8.341 3.763 596 HA ASP 80 HA ASP 80 14.314 -7.307 4.009 597 HB2 ASP 80 HB2 ASP 80 12.325 -6.927 1.733 598 HB3 ASP 80 HB3 ASP 80 14.063 -6.666 1.626 599 H LYS 81 H LYS 81 11.287 -5.482 3.681 600 HA LYS 81 HA LYS 81 12.382 -3.224 5.118 601 HB2 LYS 81 HB2 LYS 81 11.935 -1.523 3.409 602 HB3 LYS 81 HB3 LYS 81 13.275 -2.565 2.958 603 HG2 LYS 81 HG2 LYS 81 12.082 -3.617 1.243 604 HG3 LYS 81 HG3 LYS 81 10.503 -3.125 1.866 605 HD2 LYS 81 HD2 LYS 81 12.564 -1.205 0.690 606 HD3 LYS 81 HD3 LYS 81 11.162 -1.874 -0.167 607 HE2 LYS 81 HE2 LYS 81 9.717 -0.898 1.750 608 HE3 LYS 81 HE3 LYS 81 11.161 0.003 2.234 609 HZ1 LYS 81 HZ1 LYS 81 9.770 0.230 -0.372 610 HZ2 LYS 81 HZ2 LYS 81 11.153 1.032 0.022 611 HZ3 LYS 81 HZ3 LYS 81 9.791 1.339 0.849 612 H ASN 82 H ASN 82 10.797 -1.517 5.492 613 HA ASN 82 HA ASN 82 8.010 -2.088 4.665 614 HB2 ASN 82 HB2 ASN 82 8.478 -2.802 7.118 615 HB3 ASN 82 HB3 ASN 82 8.620 -1.076 7.471 616 HD21 ASN 82 HD21 ASN 82 6.765 -2.095 8.928 617 HD22 ASN 82 HD22 ASN 82 5.153 -2.012 8.247 618 H THR 83 H THR 83 6.813 -0.240 4.219 619 HA THR 83 HA THR 83 8.298 2.350 4.112 620 HB THR 83 HB THR 83 5.866 1.473 2.495 621 HG1 THR 83 HG1 THR 83 7.289 1.294 0.817 622 HG21 THR 83 HG21 THR 83 5.927 3.880 2.709 623 HG22 THR 83 HG22 THR 83 6.578 3.491 1.110 624 HG23 THR 83 HG23 THR 83 7.681 3.919 2.447 625 H PHE 84 H PHE 84 7.833 3.179 6.132 626 HA PHE 84 HA PHE 84 5.121 3.082 7.254 627 HB2 PHE 84 HB2 PHE 84 7.614 4.395 8.303 628 HB3 PHE 84 HB3 PHE 84 6.068 4.364 9.130 629 HD1 PHE 84 HD2 PHE 84 5.034 1.887 9.421 630 HD2 PHE 84 HD1 PHE 84 9.213 2.884 8.991 631 HE1 PHE 84 HE2 PHE 84 5.652 -0.204 10.603 632 HE2 PHE 84 HE1 PHE 84 9.832 0.723 10.053 633 HZ PHE 84 HZ PHE 84 8.050 -0.797 10.935 634 H ILE 85 H ILE 85 3.622 4.530 6.915 635 HA ILE 85 HA ILE 85 4.225 7.258 5.838 636 HB ILE 85 HB ILE 85 1.695 5.597 6.019 637 HG12 ILE 85 HG12 ILE 85 3.169 6.536 3.515 638 HG13 ILE 85 HG13 ILE 85 3.411 4.949 4.247 639 HG21 ILE 85 HG21 ILE 85 1.992 8.358 4.764 640 HG22 ILE 85 HG22 ILE 85 0.524 7.350 4.782 641 HG23 ILE 85 HG23 ILE 85 1.144 7.999 6.283 642 HD11 ILE 85 HD11 ILE 85 0.949 4.511 4.034 643 HD12 ILE 85 HD12 ILE 85 0.821 5.985 3.055 644 HD13 ILE 85 HD13 ILE 85 1.835 4.648 2.493 645 H TYR 86 H TYR 86 4.442 8.818 7.407 646 HA TYR 86 HA TYR 86 2.923 8.590 9.937 647 HB2 TYR 86 HB2 TYR 86 5.255 9.207 10.035 648 HB3 TYR 86 HB3 TYR 86 4.943 10.574 8.979 649 HD1 TYR 86 HD1 TYR 86 2.256 10.204 11.434 650 HD2 TYR 86 HD2 TYR 86 6.278 11.692 10.854 651 HE1 TYR 86 HE1 TYR 86 1.936 11.804 13.265 652 HE2 TYR 86 HE2 TYR 86 5.961 13.243 12.778 653 HH TYR 86 HH TYR 86 2.870 13.415 14.582 654 H SER 87 H SER 87 0.821 8.700 9.123 655 HA SER 87 HA SER 87 -0.164 11.457 8.580 656 HB2 SER 87 HB2 SER 87 -0.935 9.015 6.924 657 HB3 SER 87 HB3 SER 87 -1.738 10.592 6.859 658 HG SER 87 HG SER 87 -0.203 10.434 5.225 659 H ARG 88 H ARG 88 -2.375 11.779 9.025 660 HA ARG 88 HA ARG 88 -3.739 10.044 10.986 661 HB2 ARG 88 HB2 ARG 88 -4.583 12.568 9.469 662 HB3 ARG 88 HB3 ARG 88 -5.572 11.752 10.672 663 HG2 ARG 88 HG2 ARG 88 -3.574 12.053 12.305 664 HG3 ARG 88 HG3 ARG 88 -2.912 13.158 11.094 665 HD2 ARG 88 HD2 ARG 88 -4.071 14.507 12.647 666 HD3 ARG 88 HD3 ARG 88 -5.093 14.445 11.202 667 HE ARG 88 HE ARG 88 -5.677 12.432 13.291 668 HH11 ARG 88 HH11 ARG 88 -6.579 15.615 12.167 669 HH12 ARG 88 HH12 ARG 88 -8.163 15.513 12.886 670 HH21 ARG 88 HH21 ARG 88 -7.676 12.389 14.235 671 HH22 ARG 88 HH22 ARG 88 -8.731 13.762 14.076 672 HA PRO 89 HA PRO 89 -5.931 7.639 8.003 673 HB2 PRO 89 HB2 PRO 89 -8.477 7.349 9.034 674 HB3 PRO 89 HB3 PRO 89 -7.020 6.539 9.683 675 HG2 PRO 89 HG2 PRO 89 -8.318 9.104 10.651 676 HG3 PRO 89 HG3 PRO 89 -7.806 7.685 11.624 677 HD2 PRO 89 HD2 PRO 89 -6.229 9.859 11.419 678 HD3 PRO 89 HD3 PRO 89 -5.511 8.226 11.369 679 H GLU 90 H GLU 90 -7.243 10.824 8.684 680 HA GLU 90 HA GLU 90 -9.419 10.806 6.806 681 HB2 GLU 90 HB2 GLU 90 -7.887 13.049 8.150 682 HB3 GLU 90 HB3 GLU 90 -9.143 13.352 6.939 683 HG2 GLU 90 HG2 GLU 90 -10.759 12.049 8.303 684 HG3 GLU 90 HG3 GLU 90 -9.509 11.784 9.522 685 HA PRO 91 HA PRO 91 -6.657 12.790 3.477 686 HB2 PRO 91 HB2 PRO 91 -3.920 12.859 3.729 687 HB3 PRO 91 HB3 PRO 91 -4.996 14.150 4.339 688 HG2 PRO 91 HG2 PRO 91 -3.779 11.828 5.858 689 HG3 PRO 91 HG3 PRO 91 -3.824 13.557 6.333 690 HD2 PRO 91 HD2 PRO 91 -5.599 11.766 7.292 691 HD3 PRO 91 HD3 PRO 91 -6.112 13.421 6.918 692 H VAL 92 H VAL 92 -6.274 9.844 4.873 693 HA VAL 92 HA VAL 92 -5.001 8.519 2.489 694 HB VAL 92 HB VAL 92 -5.645 7.298 5.201 695 HG11 VAL 92 HG11 VAL 92 -4.001 5.584 4.489 696 HG12 VAL 92 HG12 VAL 92 -5.372 5.668 3.374 697 HG13 VAL 92 HG13 VAL 92 -3.820 6.402 2.925 698 HG21 VAL 92 HG21 VAL 92 -3.311 7.503 5.826 699 HG22 VAL 92 HG22 VAL 92 -2.919 8.301 4.295 700 HG23 VAL 92 HG23 VAL 92 -3.928 9.118 5.496 701 H LYS 93 H LYS 93 -7.805 8.115 4.692 702 HA LYS 93 HA LYS 93 -9.149 6.298 2.911 703 HB2 LYS 93 HB2 LYS 93 -9.517 6.909 5.527 704 HB3 LYS 93 HB3 LYS 93 -10.798 7.906 4.828 705 HG2 LYS 93 HG2 LYS 93 -11.263 5.627 3.450 706 HG3 LYS 93 HG3 LYS 93 -10.459 4.902 4.845 707 HD2 LYS 93 HD2 LYS 93 -12.986 6.632 4.912 708 HD3 LYS 93 HD3 LYS 93 -12.908 4.873 4.947 709 HE2 LYS 93 HE2 LYS 93 -13.209 5.289 7.148 710 HE3 LYS 93 HE3 LYS 93 -11.458 5.103 7.041 711 HZ1 LYS 93 HZ1 LYS 93 -12.098 7.005 8.400 712 HZ2 LYS 93 HZ2 LYS 93 -12.891 7.700 7.158 713 HZ3 LYS 93 HZ3 LYS 93 -11.258 7.530 7.103 714 H ALA 94 H ALA 94 -9.508 9.796 3.384 715 HA ALA 94 HA ALA 94 -11.851 10.015 1.701 716 HB1 ALA 94 HB1 ALA 94 -10.017 12.200 2.741 717 HB2 ALA 94 HB2 ALA 94 -11.692 12.374 2.184 718 HB3 ALA 94 HB3 ALA 94 -11.353 11.466 3.671 719 H ILE 95 H ILE 95 -8.629 9.657 0.781 720 HA ILE 95 HA ILE 95 -8.408 11.256 -1.539 721 HB ILE 95 HB ILE 95 -7.518 8.359 -1.272 722 HG12 ILE 95 HG12 ILE 95 -5.887 10.870 -0.660 723 HG13 ILE 95 HG13 ILE 95 -6.662 9.888 0.573 724 HG21 ILE 95 HG21 ILE 95 -7.443 9.313 -3.613 725 HG22 ILE 95 HG22 ILE 95 -6.398 10.610 -3.021 726 HG23 ILE 95 HG23 ILE 95 -5.859 8.916 -2.991 727 HD11 ILE 95 HD11 ILE 95 -4.450 8.931 -1.281 728 HD12 ILE 95 HD12 ILE 95 -4.354 9.264 0.449 729 HD13 ILE 95 HD13 ILE 95 -5.335 7.906 -0.125 730 H CYS 96 H CYS 96 -10.327 8.319 -0.953 731 HA CYS 96 HA CYS 96 -11.603 8.626 -3.640 732 HB2 CYS 96 HB2 CYS 96 -12.270 6.334 -3.459 733 HB3 CYS 96 HB3 CYS 96 -10.518 6.484 -3.314 734 H LYS 97 H LYS 97 -13.838 8.309 -3.786 735 HA LYS 97 HA LYS 97 -15.605 8.478 -1.453 736 HB2 LYS 97 HB2 LYS 97 -14.737 10.818 -1.838 737 HB3 LYS 97 HB3 LYS 97 -15.545 10.844 -3.393 738 HG2 LYS 97 HG2 LYS 97 -17.017 10.283 -0.771 739 HG3 LYS 97 HG3 LYS 97 -16.659 11.918 -1.321 740 HD2 LYS 97 HD2 LYS 97 -17.929 11.495 -3.427 741 HD3 LYS 97 HD3 LYS 97 -18.412 9.906 -2.790 742 HE2 LYS 97 HE2 LYS 97 -19.473 10.975 -0.844 743 HE3 LYS 97 HE3 LYS 97 -18.937 12.566 -1.396 744 HZ1 LYS 97 HZ1 LYS 97 -20.828 10.811 -2.874 745 HZ2 LYS 97 HZ2 LYS 97 -20.332 12.288 -3.371 746 HZ3 LYS 97 HZ3 LYS 97 -21.241 12.142 -2.027 747 H GLY 98 H GLY 98 -16.787 6.782 -2.064 748 HA2 GLY 98 HA2 GLY 98 -18.646 5.798 -3.137 749 HA3 GLY 98 HA3 GLY 98 -18.518 6.953 -4.453 750 H ILE 99 H ILE 99 -15.463 5.622 -3.971 751 HA ILE 99 HA ILE 99 -15.589 4.124 -6.451 752 HB ILE 99 HB ILE 99 -13.310 4.479 -4.471 753 HG12 ILE 99 HG12 ILE 99 -14.036 5.825 -7.118 754 HG13 ILE 99 HG13 ILE 99 -14.022 6.569 -5.523 755 HG21 ILE 99 HG21 ILE 99 -13.346 3.233 -7.270 756 HG22 ILE 99 HG22 ILE 99 -11.887 3.621 -6.348 757 HG23 ILE 99 HG23 ILE 99 -12.964 2.392 -5.739 758 HD11 ILE 99 HD11 ILE 99 -11.643 5.756 -7.206 759 HD12 ILE 99 HD12 ILE 99 -12.075 7.351 -6.566 760 HD13 ILE 99 HD13 ILE 99 -11.488 6.088 -5.471 761 H ILE 100 H ILE 100 -16.432 2.242 -6.620 762 HA ILE 100 HA ILE 100 -15.926 0.065 -4.622 763 HB ILE 100 HB ILE 100 -17.986 -0.058 -6.838 764 HG12 ILE 100 HG12 ILE 100 -18.336 1.119 -4.050 765 HG13 ILE 100 HG13 ILE 100 -18.581 1.948 -5.589 766 HG21 ILE 100 HG21 ILE 100 -19.010 -1.761 -5.439 767 HG22 ILE 100 HG22 ILE 100 -17.314 -2.172 -5.573 768 HG23 ILE 100 HG23 ILE 100 -17.913 -1.378 -4.098 769 HD11 ILE 100 HD11 ILE 100 -20.721 1.505 -4.684 770 HD12 ILE 100 HD12 ILE 100 -20.504 0.422 -6.075 771 HD13 ILE 100 HD13 ILE 100 -20.357 -0.201 -4.409 772 H ALA 101 H ALA 101 -14.933 1.249 -7.596 773 HA ALA 101 HA ALA 101 -14.637 -1.072 -9.206 774 HB1 ALA 101 HB1 ALA 101 -13.329 1.676 -9.420 775 HB2 ALA 101 HB2 ALA 101 -13.533 0.499 -10.734 776 HB3 ALA 101 HB3 ALA 101 -14.956 1.255 -10.008 777 H SER 102 H SER 102 -12.859 -0.753 -6.511 778 HA SER 102 HA SER 102 -10.745 -1.192 -5.767 779 HB2 SER 102 HB2 SER 102 -11.461 -3.402 -6.523 780 HB3 SER 102 HB3 SER 102 -10.658 -3.137 -8.079 781 HG SER 102 HG SER 102 -8.693 -3.045 -7.040 782 H LYS 103 H LYS 103 -10.360 1.104 -6.523 783 HA LYS 103 HA LYS 103 -7.789 1.309 -7.915 784 HB2 LYS 103 HB2 LYS 103 -9.858 1.448 -9.629 785 HB3 LYS 103 HB3 LYS 103 -9.942 3.108 -9.042 786 HG2 LYS 103 HG2 LYS 103 -7.472 3.336 -9.640 787 HG3 LYS 103 HG3 LYS 103 -7.547 1.695 -10.299 788 HD2 LYS 103 HD2 LYS 103 -9.464 2.556 -11.820 789 HD3 LYS 103 HD3 LYS 103 -9.044 4.173 -11.246 790 HE2 LYS 103 HE2 LYS 103 -7.885 3.980 -13.277 791 HE3 LYS 103 HE3 LYS 103 -6.649 3.707 -12.046 792 HZ1 LYS 103 HZ1 LYS 103 -6.912 1.296 -12.452 793 HZ2 LYS 103 HZ2 LYS 103 -6.521 2.064 -13.837 794 HZ3 LYS 103 HZ3 LYS 103 -8.056 1.581 -13.586 795 H ASN 104 H ASN 104 -6.775 3.463 -7.539 796 HA ASN 104 HA ASN 104 -8.446 5.504 -6.288 797 HB2 ASN 104 HB2 ASN 104 -6.938 3.953 -4.631 798 HB3 ASN 104 HB3 ASN 104 -5.740 5.169 -5.019 799 HD21 ASN 104 HD21 ASN 104 -6.746 4.793 -2.419 800 HD22 ASN 104 HD22 ASN 104 -7.602 6.247 -1.967 801 H VAL 105 H VAL 105 -6.512 7.399 -5.785 802 HA VAL 105 HA VAL 105 -4.779 7.651 -8.179 803 HB VAL 105 HB VAL 105 -6.767 9.087 -8.478 804 HG11 VAL 105 HG11 VAL 105 -7.291 9.639 -6.128 805 HG12 VAL 105 HG12 VAL 105 -5.815 10.626 -6.028 806 HG13 VAL 105 HG13 VAL 105 -7.127 11.085 -7.130 807 HG21 VAL 105 HG21 VAL 105 -5.617 11.110 -9.094 808 HG22 VAL 105 HG22 VAL 105 -4.249 10.727 -8.038 809 HG23 VAL 105 HG23 VAL 105 -4.589 9.716 -9.465 810 H LEU 106 H LEU 106 -2.765 8.509 -7.747 811 HA LEU 106 HA LEU 106 -1.558 8.417 -5.209 812 HB2 LEU 106 HB2 LEU 106 -0.359 8.433 -7.395 813 HB3 LEU 106 HB3 LEU 106 -0.921 10.074 -7.697 814 HG LEU 106 HG LEU 106 0.469 10.787 -5.681 815 HD11 LEU 106 HD11 LEU 106 1.775 8.094 -6.017 816 HD12 LEU 106 HD12 LEU 106 0.610 8.467 -4.742 817 HD13 LEU 106 HD13 LEU 106 2.145 9.351 -4.812 818 HD21 LEU 106 HD21 LEU 106 1.795 9.539 -8.102 819 HD22 LEU 106 HD22 LEU 106 2.621 10.625 -6.954 820 HD23 LEU 106 HD23 LEU 106 1.255 11.215 -7.916 821 H THR 107 H THR 107 -1.186 9.907 -3.570 822 HA THR 107 HA THR 107 -2.914 12.203 -3.272 823 HB THR 107 HB THR 107 -0.738 12.619 -1.541 824 HG1 THR 107 HG1 THR 107 -1.426 9.904 -1.390 825 HG21 THR 107 HG21 THR 107 -3.081 12.877 -0.890 826 HG22 THR 107 HG22 THR 107 -2.312 11.696 0.189 827 HG23 THR 107 HG23 THR 107 -3.371 11.140 -1.118 828 H THR 108 H THR 108 -2.024 14.399 -2.656 829 HA THR 108 HA THR 108 -0.217 15.441 -4.775 830 HB THR 108 HB THR 108 -1.528 17.537 -4.276 831 HG1 THR 108 HG1 THR 108 -3.510 17.257 -3.259 832 HG21 THR 108 HG21 THR 108 -3.160 15.171 -5.276 833 HG22 THR 108 HG22 THR 108 -2.005 16.112 -6.253 834 HG23 THR 108 HG23 THR 108 -3.469 16.887 -5.619 835 H SER 109 H SER 109 -1.002 15.656 -1.344 836 HA SER 109 HA SER 109 0.963 17.668 -0.634 837 HB2 SER 109 HB2 SER 109 -0.519 15.652 1.101 838 HB3 SER 109 HB3 SER 109 0.331 17.089 1.685 839 HG SER 109 HG SER 109 -1.149 18.374 0.484 840 H GLU 110 H GLU 110 2.581 17.203 1.162 841 HA GLU 110 HA GLU 110 4.137 14.734 0.556 842 HB2 GLU 110 HB2 GLU 110 5.294 17.410 1.335 843 HB3 GLU 110 HB3 GLU 110 6.145 15.958 0.789 844 HG2 GLU 110 HG2 GLU 110 4.812 16.155 -1.388 845 HG3 GLU 110 HG3 GLU 110 4.336 17.766 -0.858 846 H PHE 111 H PHE 111 3.913 13.339 2.137 847 HA PHE 111 HA PHE 111 3.554 14.205 4.954 848 HB2 PHE 111 HB2 PHE 111 3.204 11.433 3.765 849 HB3 PHE 111 HB3 PHE 111 2.591 12.036 5.296 850 HD1 PHE 111 HD1 PHE 111 2.206 12.122 1.620 851 HD2 PHE 111 HD2 PHE 111 0.435 13.234 5.384 852 HE1 PHE 111 HE1 PHE 111 0.108 12.683 0.455 853 HE2 PHE 111 HE2 PHE 111 -1.684 13.781 4.216 854 HZ PHE 111 HZ PHE 111 -1.849 13.496 1.731 855 H TYR 112 H TYR 112 4.646 12.752 6.629 856 HA TYR 112 HA TYR 112 7.507 12.583 6.027 857 HB2 TYR 112 HB2 TYR 112 5.825 12.610 8.427 858 HB3 TYR 112 HB3 TYR 112 7.057 11.358 8.498 859 HD1 TYR 112 HD1 TYR 112 6.697 14.999 7.618 860 HD2 TYR 112 HD2 TYR 112 9.175 11.884 9.279 861 HE1 TYR 112 HE1 TYR 112 8.401 16.702 8.264 862 HE2 TYR 112 HE2 TYR 112 10.879 13.593 9.933 863 HH TYR 112 HH TYR 112 10.423 17.082 9.266 864 H LEU 113 H LEU 113 8.195 11.026 4.769 865 HA LEU 113 HA LEU 113 7.062 8.286 4.995 866 HB2 LEU 113 HB2 LEU 113 8.063 9.902 2.758 867 HB3 LEU 113 HB3 LEU 113 8.771 8.297 2.811 868 HG LEU 113 HG LEU 113 6.773 8.385 1.442 869 HD11 LEU 113 HD11 LEU 113 5.709 6.390 2.172 870 HD12 LEU 113 HD12 LEU 113 6.224 6.634 3.845 871 HD13 LEU 113 HD13 LEU 113 7.430 6.287 2.588 872 HD21 LEU 113 HD21 LEU 113 4.545 8.655 2.278 873 HD22 LEU 113 HD22 LEU 113 5.488 10.089 2.724 874 HD23 LEU 113 HD23 LEU 113 5.123 8.855 3.944 875 H SER 114 H SER 114 8.116 6.668 5.781 876 HA SER 114 HA SER 114 11.011 6.917 6.532 877 HB2 SER 114 HB2 SER 114 9.699 7.494 8.450 878 HB3 SER 114 HB3 SER 114 8.623 6.136 8.211 879 HG SER 114 HG SER 114 10.058 5.469 9.754 880 H ASP 115 H ASP 115 11.827 5.592 5.011 881 HA ASP 115 HA ASP 115 10.792 2.811 4.688 882 HB2 ASP 115 HB2 ASP 115 13.010 4.361 3.290 883 HB3 ASP 115 HB3 ASP 115 12.640 2.673 2.995 884 H CYS 116 H CYS 116 12.321 1.114 4.918 885 HA CYS 116 HA CYS 116 15.028 1.725 5.937 886 HB2 CYS 116 HB2 CYS 116 13.075 -0.253 7.122 887 HB3 CYS 116 HB3 CYS 116 14.787 -0.627 7.128 888 H ASN 117 H ASN 117 16.563 -0.108 5.273 889 HA ASN 117 HA ASN 117 15.516 -1.939 3.181 890 HB2 ASN 117 HB2 ASN 117 17.714 0.128 2.736 891 HB3 ASN 117 HB3 ASN 117 17.575 -1.339 1.770 892 HD21 ASN 117 HD21 ASN 117 16.336 1.887 2.202 893 HD22 ASN 117 HD22 ASN 117 15.127 1.737 0.931 894 H VAL 118 H VAL 118 16.202 -3.934 3.699 895 HA VAL 118 HA VAL 118 18.027 -4.556 5.725 896 HB VAL 118 HB VAL 118 16.381 -6.108 4.903 897 HG11 VAL 118 HG11 VAL 118 16.505 -5.680 2.468 898 HG12 VAL 118 HG12 VAL 118 18.095 -6.471 2.411 899 HG13 VAL 118 HG13 VAL 118 16.650 -7.401 2.845 900 HG21 VAL 118 HG21 VAL 118 17.595 -8.163 4.994 901 HG22 VAL 118 HG22 VAL 118 19.113 -7.369 4.553 902 HG23 VAL 118 HG23 VAL 118 18.333 -7.011 6.115 903 H THR 119 H THR 119 20.130 -5.222 5.851 904 HA THR 119 HA THR 119 21.882 -5.057 3.444 905 HB THR 119 HB THR 119 22.148 -2.945 4.382 906 HG1 THR 119 HG1 THR 119 24.376 -3.023 4.794 907 HG21 THR 119 HG21 THR 119 22.953 -4.153 7.042 908 HG22 THR 119 HG22 THR 119 21.456 -3.253 6.698 909 HG23 THR 119 HG23 THR 119 23.019 -2.441 6.585 910 H SER 120 H SER 120 21.585 -7.209 3.403 911 HA SER 120 HA SER 120 22.278 -9.187 5.295 912 HB2 SER 120 HB2 SER 120 22.510 -9.308 2.261 913 HB3 SER 120 HB3 SER 120 22.438 -10.698 3.356 914 HG SER 120 HG SER 120 20.345 -10.017 4.007
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