NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
457465 | 2kut | 16746 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 10.337 13.887 3.007 2 H2 MET 1 2H MET 1 9.695 12.722 4.063 3 H3 MET 1 3H MET 1 9.350 12.649 2.402 4 HA MET 1 HA MET 1 11.889 12.455 2.122 5 HB2 MET 1 1HB MET 1 11.433 11.532 4.991 6 HB3 MET 1 2HB MET 1 12.927 11.298 4.085 7 HG2 MET 1 1HG MET 1 11.728 14.029 4.711 8 HG3 MET 1 2HG MET 1 13.011 13.271 5.651 9 HE1 MET 1 3HE MET 1 14.398 15.495 5.267 10 HE2 MET 1 1HE MET 1 13.055 16.119 4.298 11 HE3 MET 1 2HE MET 1 14.703 16.198 3.681 12 H ASP 2 H ASP 2 10.184 11.364 0.703 13 HA ASP 2 HA ASP 2 9.225 9.482 -0.200 14 HB2 ASP 2 1HB ASP 2 11.665 8.865 -0.184 15 HB3 ASP 2 2HB ASP 2 11.419 8.046 1.354 16 H LEU 3 H LEU 3 7.260 9.738 0.997 17 HA LEU 3 HA LEU 3 6.851 8.708 3.575 18 HB2 LEU 3 1HB LEU 3 5.051 9.625 1.344 19 HB3 LEU 3 2HB LEU 3 4.290 8.723 2.653 20 HG LEU 3 HG LEU 3 5.199 10.379 4.295 21 HD11 LEU 3 1HD1 LEU 3 6.242 11.799 1.814 22 HD12 LEU 3 2HD1 LEU 3 7.206 11.130 3.130 23 HD13 LEU 3 3HD1 LEU 3 6.176 12.526 3.422 24 HD21 LEU 3 3HD2 LEU 3 2.940 10.712 3.325 25 HD22 LEU 3 1HD2 LEU 3 3.642 11.654 2.009 26 HD23 LEU 3 2HD2 LEU 3 3.715 12.258 3.664 27 HA PRO 4 HA PRO 4 6.468 4.287 3.141 28 HB2 PRO 4 1HB PRO 4 3.699 4.500 4.384 29 HB3 PRO 4 2HB PRO 4 5.036 3.411 4.833 30 HG2 PRO 4 1HG PRO 4 4.576 5.531 6.326 31 HG3 PRO 4 2HG PRO 4 6.248 5.162 5.864 32 HD2 PRO 4 1HD PRO 4 4.372 7.231 4.660 33 HD3 PRO 4 2HD PRO 4 6.069 7.393 5.146 34 H ILE 5 H ILE 5 3.773 6.259 2.087 35 HA ILE 5 HA ILE 5 3.041 4.268 -0.032 36 HB ILE 5 HB ILE 5 1.259 6.329 1.341 37 HG12 ILE 5 1HG1 ILE 5 1.118 3.268 1.491 38 HG13 ILE 5 2HG1 ILE 5 1.894 4.249 2.724 39 HG21 ILE 5 1HG2 ILE 5 -0.580 5.156 0.029 40 HG22 ILE 5 2HG2 ILE 5 0.663 4.241 -0.817 41 HG23 ILE 5 3HG2 ILE 5 0.567 5.989 -1.014 42 HD11 ILE 5 3HD1 ILE 5 -0.443 3.655 3.317 43 HD12 ILE 5 1HD1 ILE 5 -1.016 4.549 1.912 44 HD13 ILE 5 2HD1 ILE 5 -0.184 5.395 3.219 45 H THR 6 H THR 6 3.325 4.921 -2.047 46 HA THR 6 HA THR 6 3.451 7.845 -2.703 47 HB THR 6 HB THR 6 5.306 7.395 -4.246 48 HG1 THR 6 HG1 THR 6 4.512 4.938 -4.043 49 HG21 THR 6 3HG2 THR 6 7.075 6.938 -2.595 50 HG22 THR 6 1HG2 THR 6 5.880 6.276 -1.477 51 HG23 THR 6 2HG2 THR 6 5.848 7.992 -1.889 52 H LEU 7 H LEU 7 1.916 8.314 -4.101 53 HA LEU 7 HA LEU 7 0.810 6.233 -5.915 54 HB2 LEU 7 1HB LEU 7 -0.317 8.967 -5.194 55 HB3 LEU 7 2HB LEU 7 -1.144 7.679 -6.070 56 HG LEU 7 HG LEU 7 -0.230 7.570 -3.157 57 HD11 LEU 7 1HD1 LEU 7 -2.198 9.016 -3.554 58 HD12 LEU 7 2HD1 LEU 7 -2.637 7.584 -2.632 59 HD13 LEU 7 3HD1 LEU 7 -3.023 7.680 -4.347 60 HD21 LEU 7 3HD2 LEU 7 -0.097 5.305 -3.891 61 HD22 LEU 7 1HD2 LEU 7 -1.518 5.446 -4.928 62 HD23 LEU 7 2HD2 LEU 7 -1.694 5.403 -3.171 63 H SER 8 H SER 8 0.685 6.549 -8.109 64 HA SER 8 HA SER 8 2.682 8.312 -9.304 65 HB2 SER 8 1HB SER 8 2.358 6.082 -10.249 66 HB3 SER 8 2HB SER 8 0.653 6.416 -10.539 67 HG SER 8 HG SER 8 1.271 7.253 -12.354 68 H LYS 9 H LYS 9 0.419 9.585 -7.920 69 HA LYS 9 HA LYS 9 -1.372 10.667 -9.901 70 HB2 LYS 9 1HB LYS 9 -1.800 10.419 -7.380 71 HB3 LYS 9 2HB LYS 9 -0.790 11.840 -7.145 72 HG2 LYS 9 1HG LYS 9 -2.318 13.162 -8.607 73 HG3 LYS 9 2HG LYS 9 -3.309 11.728 -8.862 74 HD2 LYS 9 1HD LYS 9 -3.790 11.634 -6.420 75 HD3 LYS 9 2HD LYS 9 -2.825 13.092 -6.183 76 HE2 LYS 9 1HE LYS 9 -4.354 14.359 -7.664 77 HE3 LYS 9 2HE LYS 9 -5.304 12.899 -7.935 78 HZ1 LYS 9 3HZ LYS 9 -5.985 14.603 -6.118 79 HZ2 LYS 9 1HZ LYS 9 -4.828 13.795 -5.181 80 HZ3 LYS 9 2HZ LYS 9 -6.147 12.940 -5.827 81 H GLU 10 H GLU 10 1.065 10.951 -10.981 82 HA GLU 10 HA GLU 10 2.476 13.352 -10.505 83 HB2 GLU 10 1HB GLU 10 2.119 11.818 -13.112 84 HB3 GLU 10 2HB GLU 10 3.371 13.024 -12.799 85 HG2 GLU 10 1HG GLU 10 4.255 11.620 -10.949 86 HG3 GLU 10 2HG GLU 10 3.009 10.416 -11.271 87 H THR 11 H THR 11 -0.292 12.622 -12.576 88 HA THR 11 HA THR 11 -0.690 15.537 -13.161 89 HB THR 11 HB THR 11 -1.731 14.837 -15.237 90 HG1 THR 11 HG1 THR 11 -2.084 12.738 -15.698 91 HG21 THR 11 3HG2 THR 11 0.849 13.266 -14.841 92 HG22 THR 11 1HG2 THR 11 0.776 14.997 -15.187 93 HG23 THR 11 2HG2 THR 11 0.193 13.832 -16.376 94 HA PRO 12 HA PRO 12 -4.166 14.323 -10.228 95 HB2 PRO 12 1HB PRO 12 -4.408 17.340 -10.616 96 HB3 PRO 12 2HB PRO 12 -4.730 16.384 -9.144 97 HG2 PRO 12 1HG PRO 12 -2.433 17.638 -9.302 98 HG3 PRO 12 2HG PRO 12 -2.410 15.922 -8.821 99 HD2 PRO 12 1HD PRO 12 -1.748 17.111 -11.547 100 HD3 PRO 12 2HD PRO 12 -0.899 15.819 -10.664 101 H PHE 13 H PHE 13 -5.750 13.291 -11.394 102 HA PHE 13 HA PHE 13 -7.757 14.812 -12.818 103 HB2 PHE 13 1HB PHE 13 -5.769 13.086 -14.340 104 HB3 PHE 13 2HB PHE 13 -7.411 13.249 -14.949 105 HD1 PHE 13 HD1 PHE 13 -8.373 15.693 -15.123 106 HD2 PHE 13 HD2 PHE 13 -4.161 14.809 -14.983 107 HE1 PHE 13 HE1 PHE 13 -7.867 17.906 -16.116 108 HE2 PHE 13 HE2 PHE 13 -3.664 17.024 -15.976 109 HZ PHE 13 HZ PHE 13 -5.515 18.571 -16.541 110 H GLU 14 H GLU 14 -9.460 13.966 -11.835 111 HA GLU 14 HA GLU 14 -9.694 11.414 -10.701 112 HB2 GLU 14 1HB GLU 14 -11.224 13.318 -10.207 113 HB3 GLU 14 2HB GLU 14 -11.930 13.156 -11.809 114 HG2 GLU 14 1HG GLU 14 -13.381 12.062 -10.154 115 HG3 GLU 14 2HG GLU 14 -12.697 10.838 -11.209 116 H GLY 15 H GLY 15 -10.479 9.449 -11.423 117 HA2 GLY 15 1HA GLY 15 -11.291 7.847 -12.924 118 HA3 GLY 15 2HA GLY 15 -11.478 9.070 -14.154 119 H GLU 16 H GLU 16 -8.451 8.982 -12.527 120 HA GLU 16 HA GLU 16 -7.125 7.747 -14.901 121 HB2 GLU 16 1HB GLU 16 -6.536 10.128 -14.355 122 HB3 GLU 16 2HB GLU 16 -5.899 9.592 -12.803 123 HG2 GLU 16 1HG GLU 16 -4.243 8.149 -13.968 124 HG3 GLU 16 2HG GLU 16 -4.908 8.627 -15.527 125 H GLU 17 H GLU 17 -5.676 6.087 -14.647 126 HA GLU 17 HA GLU 17 -5.958 4.481 -12.269 127 HB2 GLU 17 1HB GLU 17 -5.700 3.526 -14.572 128 HB3 GLU 17 2HB GLU 17 -4.037 4.107 -14.604 129 HG2 GLU 17 1HG GLU 17 -3.520 2.710 -12.603 130 HG3 GLU 17 2HG GLU 17 -5.187 2.142 -12.575 131 H ILE 18 H ILE 18 -4.681 4.449 -10.522 132 HA ILE 18 HA ILE 18 -2.084 5.951 -10.542 133 HB ILE 18 HB ILE 18 -2.517 6.377 -8.113 134 HG12 ILE 18 1HG1 ILE 18 -5.360 5.388 -8.690 135 HG13 ILE 18 2HG1 ILE 18 -4.171 4.457 -7.789 136 HG21 ILE 18 1HG2 ILE 18 -4.671 7.428 -9.998 137 HG22 ILE 18 2HG2 ILE 18 -3.052 8.102 -9.819 138 HG23 ILE 18 3HG2 ILE 18 -4.189 8.182 -8.479 139 HD11 ILE 18 3HD1 ILE 18 -5.240 7.185 -6.992 140 HD12 ILE 18 1HD1 ILE 18 -4.007 6.274 -6.122 141 HD13 ILE 18 2HD1 ILE 18 -5.643 5.644 -6.243 142 H THR 19 H THR 19 -0.345 5.045 -9.569 143 HA THR 19 HA THR 19 -0.442 2.125 -9.208 144 HB THR 19 HB THR 19 1.973 3.987 -9.071 145 HG1 THR 19 HG1 THR 19 2.105 3.806 -11.187 146 HG21 THR 19 3HG2 THR 19 1.734 0.998 -9.595 147 HG22 THR 19 1HG2 THR 19 2.337 1.723 -8.104 148 HG23 THR 19 2HG2 THR 19 3.231 1.925 -9.606 149 H VAL 20 H VAL 20 -1.003 1.417 -7.244 150 HA VAL 20 HA VAL 20 -0.361 3.019 -4.833 151 HB VAL 20 HB VAL 20 -2.023 0.464 -5.042 152 HG11 VAL 20 1HG1 VAL 20 -1.778 2.617 -2.876 153 HG12 VAL 20 2HG1 VAL 20 -1.226 0.947 -2.747 154 HG13 VAL 20 3HG1 VAL 20 -2.943 1.303 -2.852 155 HG21 VAL 20 3HG2 VAL 20 -2.921 3.383 -5.067 156 HG22 VAL 20 1HG2 VAL 20 -3.995 1.985 -4.992 157 HG23 VAL 20 2HG2 VAL 20 -3.021 2.269 -6.430 158 H SER 21 H SER 21 1.547 2.608 -3.894 159 HA SER 21 HA SER 21 2.547 -0.207 -3.731 160 HB2 SER 21 1HB SER 21 4.788 0.589 -4.071 161 HB3 SER 21 2HB SER 21 3.822 1.212 -5.398 162 HG SER 21 HG SER 21 5.139 2.523 -3.397 163 H ALA 22 H ALA 22 3.131 -0.840 -1.767 164 HA ALA 22 HA ALA 22 3.272 1.150 0.467 165 HB1 ALA 22 3HB ALA 22 1.291 -0.330 0.577 166 HB2 ALA 22 1HB ALA 22 2.413 -0.669 1.896 167 HB3 ALA 22 2HB ALA 22 2.334 -1.748 0.500 168 H ARG 23 H ARG 23 5.181 1.263 1.449 169 HA ARG 23 HA ARG 23 7.329 -0.614 0.774 170 HB2 ARG 23 1HB ARG 23 7.294 1.816 2.615 171 HB3 ARG 23 2HB ARG 23 8.733 0.904 2.152 172 HG2 ARG 23 1HG ARG 23 8.308 1.453 -0.236 173 HG3 ARG 23 2HG ARG 23 6.883 2.380 0.230 174 HD2 ARG 23 1HD ARG 23 8.796 3.891 -0.108 175 HD3 ARG 23 2HD ARG 23 8.342 3.879 1.596 176 HE ARG 23 HE ARG 23 10.319 1.894 1.101 177 HH11 ARG 23 1HH2 ARG 23 9.920 5.343 1.357 178 HH12 ARG 23 2HH2 ARG 23 11.561 5.623 1.834 179 HH21 ARG 23 1HH1 ARG 23 12.449 2.276 1.724 180 HH22 ARG 23 2HH1 ARG 23 12.988 3.891 2.040 181 H VAL 24 H VAL 24 7.525 -2.470 1.854 182 HA VAL 24 HA VAL 24 6.467 -2.741 4.622 183 HB VAL 24 HB VAL 24 7.464 -4.917 2.723 184 HG11 VAL 24 1HG1 VAL 24 6.132 -6.401 4.277 185 HG12 VAL 24 2HG1 VAL 24 5.867 -5.012 5.324 186 HG13 VAL 24 3HG1 VAL 24 7.497 -5.632 5.085 187 HG21 VAL 24 3HG2 VAL 24 4.627 -3.947 3.297 188 HG22 VAL 24 1HG2 VAL 24 5.042 -5.357 2.320 189 HG23 VAL 24 2HG2 VAL 24 5.493 -3.744 1.773 190 H THR 25 H THR 25 7.810 -2.742 6.322 191 HA THR 25 HA THR 25 10.743 -2.807 5.902 192 HB THR 25 HB THR 25 9.096 -2.055 8.346 193 HG1 THR 25 HG1 THR 25 8.831 -0.564 6.739 194 HG21 THR 25 3HG2 THR 25 11.336 -2.752 9.061 195 HG22 THR 25 1HG2 THR 25 11.270 -0.990 9.080 196 HG23 THR 25 2HG2 THR 25 12.082 -1.823 7.757 197 H ASN 26 H ASN 26 11.905 -4.564 6.371 198 HA ASN 26 HA ASN 26 10.643 -6.921 7.553 199 HB2 ASN 26 1HB ASN 26 12.196 -7.111 5.622 200 HB3 ASN 26 2HB ASN 26 13.516 -6.499 6.611 201 HD21 ASN 26 2HD2 ASN 26 14.756 -8.491 6.621 202 HD22 ASN 26 1HD2 ASN 26 14.190 -9.908 7.364 203 H ARG 27 H ARG 27 10.401 -6.886 9.705 204 HA ARG 27 HA ARG 27 12.478 -5.725 11.484 205 HB2 ARG 27 1HB ARG 27 9.636 -6.684 12.019 206 HB3 ARG 27 2HB ARG 27 10.702 -5.939 13.214 207 HG2 ARG 27 1HG ARG 27 10.814 -3.876 11.826 208 HG3 ARG 27 2HG ARG 27 9.741 -4.619 10.637 209 HD2 ARG 27 1HD ARG 27 8.459 -3.137 12.131 210 HD3 ARG 27 2HD ARG 27 7.971 -4.815 12.385 211 HE ARG 27 HE ARG 27 10.075 -4.157 14.174 212 HH11 ARG 27 1HH2 ARG 27 6.709 -3.454 13.605 213 HH12 ARG 27 2HH2 ARG 27 6.363 -3.162 15.276 214 HH21 ARG 27 1HH1 ARG 27 9.602 -3.775 16.339 215 HH22 ARG 27 2HH1 ARG 27 7.995 -3.343 16.819 216 H GLY 28 H GLY 28 12.098 -7.165 13.746 217 HA2 GLY 28 1HA GLY 28 12.327 -9.245 14.777 218 HA3 GLY 28 2HA GLY 28 12.473 -10.036 13.210 219 H ALA 29 H ALA 29 14.465 -10.847 12.883 220 HA ALA 29 HA ALA 29 16.871 -9.302 13.207 221 HB1 ALA 29 3HB ALA 29 17.917 -10.689 14.968 222 HB2 ALA 29 1HB ALA 29 16.412 -11.593 15.155 223 HB3 ALA 29 2HB ALA 29 16.473 -9.885 15.582 224 H ALA 30 H ALA 30 15.182 -11.408 11.558 225 HA ALA 30 HA ALA 30 17.553 -12.743 10.382 226 HB1 ALA 30 3HB ALA 30 16.602 -14.357 12.006 227 HB2 ALA 30 1HB ALA 30 16.385 -14.919 10.348 228 HB3 ALA 30 2HB ALA 30 15.027 -14.217 11.230 229 H GLU 31 H GLU 31 17.213 -13.488 8.247 230 HA GLU 31 HA GLU 31 15.767 -11.739 6.589 231 HB2 GLU 31 1HB GLU 31 16.275 -13.462 4.779 232 HB3 GLU 31 2HB GLU 31 17.679 -12.914 5.693 233 HG2 GLU 31 1HG GLU 31 17.564 -14.958 7.103 234 HG3 GLU 31 2HG GLU 31 16.174 -15.513 6.193 235 H ALA 32 H ALA 32 13.625 -11.596 6.270 236 HA ALA 32 HA ALA 32 11.810 -13.800 6.997 237 HB1 ALA 32 3HB ALA 32 11.236 -10.943 6.101 238 HB2 ALA 32 1HB ALA 32 11.316 -11.500 7.773 239 HB3 ALA 32 2HB ALA 32 10.045 -12.098 6.709 240 H HIS 33 H HIS 33 10.317 -14.687 5.557 241 HA HIS 33 HA HIS 33 10.576 -14.080 2.657 242 HB2 HIS 33 1HB HIS 33 10.851 -16.811 3.990 243 HB3 HIS 33 2HB HIS 33 10.515 -16.613 2.270 244 HD1 HIS 33 HD1 HIS 33 13.227 -15.956 4.839 245 HD2 HIS 33 HD2 HIS 33 12.709 -15.861 0.704 246 HE1 HIS 33 HE1 HIS 33 15.530 -15.642 3.826 247 HE2 HIS 33 HE2 HIS 33 15.229 -15.576 1.312 248 H ASN 34 H ASN 34 8.850 -14.990 1.411 249 HA ASN 34 HA ASN 34 6.605 -15.038 0.937 250 HB2 ASN 34 1HB ASN 34 6.436 -16.570 3.561 251 HB3 ASN 34 2HB ASN 34 5.261 -16.612 2.246 252 HD21 ASN 34 2HD2 ASN 34 7.131 -18.765 3.434 253 HD22 ASN 34 1HD2 ASN 34 7.923 -19.405 2.076 254 H VAL 35 H VAL 35 6.864 -12.651 1.461 255 HA VAL 35 HA VAL 35 5.040 -11.823 3.691 256 HB VAL 35 HB VAL 35 7.298 -10.197 2.439 257 HG11 VAL 35 1HG1 VAL 35 6.928 -8.729 4.426 258 HG12 VAL 35 2HG1 VAL 35 5.574 -9.742 4.919 259 HG13 VAL 35 3HG1 VAL 35 5.483 -8.819 3.420 260 HG21 VAL 35 3HG2 VAL 35 8.237 -12.115 3.679 261 HG22 VAL 35 1HG2 VAL 35 7.216 -11.745 5.070 262 HG23 VAL 35 2HG2 VAL 35 8.499 -10.632 4.591 263 HA PRO 36 HA PRO 36 3.170 -10.455 -0.332 264 HB2 PRO 36 1HB PRO 36 0.657 -11.425 -0.089 265 HB3 PRO 36 2HB PRO 36 2.010 -12.517 -0.479 266 HG2 PRO 36 1HG PRO 36 0.716 -12.022 2.203 267 HG3 PRO 36 2HG PRO 36 1.129 -13.572 1.437 268 HD2 PRO 36 1HD PRO 36 2.765 -12.343 3.312 269 HD3 PRO 36 2HD PRO 36 3.409 -13.415 2.048 270 H VAL 37 H VAL 37 1.128 -9.086 -0.643 271 HA VAL 37 HA VAL 37 0.518 -7.405 1.752 272 HB VAL 37 HB VAL 37 1.247 -6.295 -1.000 273 HG11 VAL 37 1HG1 VAL 37 1.213 -4.091 0.211 274 HG12 VAL 37 2HG1 VAL 37 0.631 -4.918 1.656 275 HG13 VAL 37 3HG1 VAL 37 -0.371 -4.861 0.211 276 HG21 VAL 37 3HG2 VAL 37 3.290 -5.438 0.137 277 HG22 VAL 37 1HG2 VAL 37 3.242 -7.199 0.150 278 HG23 VAL 37 2HG2 VAL 37 2.825 -6.295 1.606 279 H ALA 38 H ALA 38 -1.531 -6.741 1.893 280 HA ALA 38 HA ALA 38 -3.410 -7.266 -0.381 281 HB1 ALA 38 3HB ALA 38 -3.892 -7.694 2.602 282 HB2 ALA 38 1HB ALA 38 -3.618 -8.974 1.418 283 HB3 ALA 38 2HB ALA 38 -5.060 -7.965 1.302 284 H VAL 39 H VAL 39 -4.060 -5.317 -1.063 285 HA VAL 39 HA VAL 39 -4.507 -3.114 0.887 286 HB VAL 39 HB VAL 39 -4.226 -2.975 -2.153 287 HG11 VAL 39 1HG1 VAL 39 -4.151 -0.810 -0.005 288 HG12 VAL 39 2HG1 VAL 39 -5.491 -1.081 -1.114 289 HG13 VAL 39 3HG1 VAL 39 -3.938 -0.556 -1.728 290 HG21 VAL 39 3HG2 VAL 39 -1.943 -2.081 -1.676 291 HG22 VAL 39 1HG2 VAL 39 -2.113 -3.747 -1.128 292 HG23 VAL 39 2HG2 VAL 39 -2.175 -2.425 0.038 293 H TYR 40 H TYR 40 -6.476 -2.197 1.054 294 HA TYR 40 HA TYR 40 -8.664 -2.956 -0.784 295 HB2 TYR 40 1HB TYR 40 -10.126 -3.554 1.179 296 HB3 TYR 40 2HB TYR 40 -8.802 -4.690 0.920 297 HD1 TYR 40 HD1 TYR 40 -10.071 -1.973 3.117 298 HD2 TYR 40 HD2 TYR 40 -6.857 -4.779 2.465 299 HE1 TYR 40 HE1 TYR 40 -9.202 -1.524 5.393 300 HE2 TYR 40 HE2 TYR 40 -6.008 -4.323 4.747 301 HH TYR 40 HH TYR 40 -6.840 -1.699 6.518 302 H LEU 41 H LEU 41 -9.917 -1.280 -1.216 303 HA LEU 41 HA LEU 41 -9.438 1.279 0.126 304 HB2 LEU 41 1HB LEU 41 -9.736 0.966 -2.404 305 HB3 LEU 41 2HB LEU 41 -11.444 0.696 -2.101 306 HG LEU 41 HG LEU 41 -11.130 3.065 -0.704 307 HD11 LEU 41 1HD1 LEU 41 -8.688 3.174 -1.278 308 HD12 LEU 41 2HD1 LEU 41 -9.594 4.573 -1.835 309 HD13 LEU 41 3HD1 LEU 41 -9.121 3.321 -2.982 310 HD21 LEU 41 3HD2 LEU 41 -11.557 2.843 -3.703 311 HD22 LEU 41 1HD2 LEU 41 -11.945 4.268 -2.747 312 HD23 LEU 41 2HD2 LEU 41 -12.796 2.755 -2.466 313 H GLY 42 H GLY 42 -10.646 2.043 1.755 314 HA2 GLY 42 1HA GLY 42 -12.926 2.629 2.488 315 HA3 GLY 42 2HA GLY 42 -13.381 0.942 2.281 316 H ASN 43 H ASN 43 -14.018 0.958 4.487 317 HA ASN 43 HA ASN 43 -11.820 1.023 6.492 318 HB2 ASN 43 1HB ASN 43 -14.822 1.285 6.806 319 HB3 ASN 43 2HB ASN 43 -13.663 1.324 8.133 320 HD21 ASN 43 2HD2 ASN 43 -14.633 3.094 5.153 321 HD22 ASN 43 1HD2 ASN 43 -13.954 4.574 5.634 322 HA PRO 44 HA PRO 44 -12.368 -3.433 6.836 323 HB2 PRO 44 1HB PRO 44 -11.151 -3.977 9.228 324 HB3 PRO 44 2HB PRO 44 -10.215 -3.404 7.824 325 HG2 PRO 44 1HG PRO 44 -11.320 -1.770 10.114 326 HG3 PRO 44 2HG PRO 44 -9.654 -1.807 9.488 327 HD2 PRO 44 1HD PRO 44 -11.376 0.139 8.695 328 HD3 PRO 44 2HD PRO 44 -10.227 -0.568 7.531 329 H ALA 45 H ALA 45 -13.678 -1.210 9.167 330 HA ALA 45 HA ALA 45 -15.138 -2.997 10.825 331 HB1 ALA 45 3HB ALA 45 -16.452 -0.997 11.442 332 HB2 ALA 45 1HB ALA 45 -15.775 -0.121 10.065 333 HB3 ALA 45 2HB ALA 45 -14.729 -0.621 11.391 334 H GLN 46 H GLN 46 -16.060 -1.242 7.859 335 HA GLN 46 HA GLN 46 -18.747 -2.307 7.777 336 HB2 GLN 46 1HB GLN 46 -18.084 -0.153 6.702 337 HB3 GLN 46 2HB GLN 46 -17.117 -1.045 5.531 338 HG2 GLN 46 1HG GLN 46 -19.156 -2.208 4.713 339 HG3 GLN 46 2HG GLN 46 -20.126 -1.366 5.920 340 HE21 GLN 46 2HE2 GLN 46 -21.213 0.404 5.021 341 HE22 GLN 46 1HE2 GLN 46 -20.629 1.358 3.744 342 H GLY 47 H GLY 47 -16.114 -2.775 5.410 343 HA2 GLY 47 1HA GLY 47 -15.810 -5.505 5.460 344 HA3 GLY 47 2HA GLY 47 -17.232 -5.269 4.446 345 H GLY 48 H GLY 48 -13.826 -4.348 4.812 346 HA2 GLY 48 1HA GLY 48 -13.480 -3.084 2.304 347 HA3 GLY 48 2HA GLY 48 -12.205 -3.820 3.269 348 H VAL 49 H VAL 49 -12.116 -3.969 0.510 349 HA VAL 49 HA VAL 49 -12.452 -6.891 0.017 350 HB VAL 49 HB VAL 49 -14.325 -5.678 -1.061 351 HG11 VAL 49 1HG1 VAL 49 -12.192 -4.209 -2.674 352 HG12 VAL 49 2HG1 VAL 49 -13.176 -3.488 -1.401 353 HG13 VAL 49 3HG1 VAL 49 -13.938 -4.073 -2.879 354 HG21 VAL 49 3HG2 VAL 49 -12.305 -6.686 -3.121 355 HG22 VAL 49 1HG2 VAL 49 -14.055 -6.606 -3.323 356 HG23 VAL 49 2HG2 VAL 49 -13.353 -7.721 -2.151 357 H GLU 50 H GLU 50 -10.828 -7.842 -1.096 358 HA GLU 50 HA GLU 50 -8.297 -6.455 -1.234 359 HB2 GLU 50 1HB GLU 50 -8.517 -8.870 -0.646 360 HB3 GLU 50 2HB GLU 50 -9.041 -9.217 -2.292 361 HG2 GLU 50 1HG GLU 50 -6.864 -8.361 -3.157 362 HG3 GLU 50 2HG GLU 50 -6.355 -8.004 -1.510 363 H ILE 51 H ILE 51 -7.342 -5.520 -2.966 364 HA ILE 51 HA ILE 51 -8.832 -5.376 -5.546 365 HB ILE 51 HB ILE 51 -6.490 -3.683 -4.554 366 HG12 ILE 51 1HG1 ILE 51 -9.467 -2.981 -4.660 367 HG13 ILE 51 2HG1 ILE 51 -8.633 -3.456 -3.190 368 HG21 ILE 51 1HG2 ILE 51 -8.408 -3.328 -6.910 369 HG22 ILE 51 2HG2 ILE 51 -6.695 -3.723 -7.039 370 HG23 ILE 51 3HG2 ILE 51 -7.187 -2.154 -6.426 371 HD11 ILE 51 3HD1 ILE 51 -8.764 -1.042 -3.303 372 HD12 ILE 51 1HD1 ILE 51 -7.985 -1.022 -4.879 373 HD13 ILE 51 2HD1 ILE 51 -7.085 -1.533 -3.448 374 H GLY 52 H GLY 52 -5.642 -6.108 -4.187 375 HA2 GLY 52 1HA GLY 52 -5.039 -8.141 -6.040 376 HA3 GLY 52 2HA GLY 52 -4.288 -6.646 -6.600 377 H ARG 53 H ARG 53 -2.677 -8.722 -5.978 378 HA ARG 53 HA ARG 53 -1.109 -7.652 -3.751 379 HB2 ARG 53 1HB ARG 53 -0.940 -9.856 -2.606 380 HB3 ARG 53 2HB ARG 53 -2.583 -9.218 -2.563 381 HG2 ARG 53 1HG ARG 53 -3.236 -10.676 -4.443 382 HG3 ARG 53 2HG ARG 53 -1.596 -11.305 -4.560 383 HD2 ARG 53 1HD ARG 53 -1.765 -12.235 -2.284 384 HD3 ARG 53 2HD ARG 53 -3.396 -11.591 -2.127 385 HE ARG 53 HE ARG 53 -3.315 -13.167 -4.454 386 HH11 ARG 53 1HH2 ARG 53 -3.050 -13.537 -1.000 387 HH12 ARG 53 2HH2 ARG 53 -3.665 -15.156 -1.001 388 HH21 ARG 53 1HH1 ARG 53 -4.117 -15.277 -4.434 389 HH22 ARG 53 2HH1 ARG 53 -4.267 -16.137 -2.938 390 H ASP 54 H ASP 54 0.991 -8.779 -3.574 391 HA ASP 54 HA ASP 54 1.907 -10.330 -5.894 392 HB2 ASP 54 1HB ASP 54 2.964 -7.530 -5.318 393 HB3 ASP 54 2HB ASP 54 3.687 -8.665 -6.456 394 H THR 55 H THR 55 3.014 -11.902 -4.915 395 HA THR 55 HA THR 55 4.244 -11.587 -2.314 396 HB THR 55 HB THR 55 4.556 -13.906 -4.280 397 HG1 THR 55 HG1 THR 55 2.399 -13.579 -3.903 398 HG21 THR 55 3HG2 THR 55 4.769 -13.768 -1.243 399 HG22 THR 55 1HG2 THR 55 6.137 -13.926 -2.346 400 HG23 THR 55 2HG2 THR 55 4.949 -15.223 -2.219 401 H ILE 56 H ILE 56 6.316 -11.097 -1.862 402 HA ILE 56 HA ILE 56 8.126 -10.307 -4.033 403 HB ILE 56 HB ILE 56 8.393 -10.110 -1.001 404 HG12 ILE 56 1HG1 ILE 56 7.769 -7.887 -3.021 405 HG13 ILE 56 2HG1 ILE 56 6.512 -8.735 -2.134 406 HG21 ILE 56 1HG2 ILE 56 10.221 -8.428 -1.589 407 HG22 ILE 56 2HG2 ILE 56 10.096 -8.950 -3.263 408 HG23 ILE 56 3HG2 ILE 56 10.633 -10.083 -2.024 409 HD11 ILE 56 3HD1 ILE 56 7.225 -7.873 -0.050 410 HD12 ILE 56 1HD1 ILE 56 7.292 -6.506 -1.155 411 HD13 ILE 56 2HD1 ILE 56 8.779 -7.327 -0.684 412 H SER 57 H SER 57 10.166 -11.185 -4.367 413 HA SER 57 HA SER 57 10.433 -13.995 -4.086 414 HB2 SER 57 1HB SER 57 11.600 -12.738 -5.851 415 HB3 SER 57 2HB SER 57 12.559 -11.891 -4.640 416 HG SER 57 HG SER 57 13.845 -13.540 -4.677 417 H ARG 58 H ARG 58 12.072 -11.326 -2.392 418 HA ARG 58 HA ARG 58 12.085 -12.585 0.135 419 HB2 ARG 58 1HB ARG 58 14.550 -13.089 0.320 420 HB3 ARG 58 2HB ARG 58 13.721 -14.156 -0.799 421 HG2 ARG 58 1HG ARG 58 14.479 -12.736 -2.709 422 HG3 ARG 58 2HG ARG 58 15.353 -11.706 -1.577 423 HD2 ARG 58 1HD ARG 58 16.735 -13.642 -0.881 424 HD3 ARG 58 2HD ARG 58 15.857 -14.673 -2.015 425 HE ARG 58 HE ARG 58 16.900 -12.430 -3.401 426 HH11 ARG 58 1HH2 ARG 58 17.926 -15.360 -1.833 427 HH12 ARG 58 2HH2 ARG 58 19.345 -15.538 -2.811 428 HH21 ARG 58 1HH1 ARG 58 18.755 -12.675 -4.672 429 HH22 ARG 58 2HH1 ARG 58 19.812 -14.022 -4.412 430 H ILE 59 H ILE 59 12.847 -11.221 1.743 431 HA ILE 59 HA ILE 59 13.772 -8.530 0.845 432 HB ILE 59 HB ILE 59 12.145 -9.079 3.363 433 HG12 ILE 59 1HG1 ILE 59 11.163 -8.064 0.656 434 HG13 ILE 59 2HG1 ILE 59 10.831 -9.666 1.300 435 HG21 ILE 59 1HG2 ILE 59 12.811 -6.509 1.842 436 HG22 ILE 59 2HG2 ILE 59 13.493 -6.986 3.394 437 HG23 ILE 59 3HG2 ILE 59 11.787 -6.596 3.268 438 HD11 ILE 59 3HD1 ILE 59 9.696 -8.582 3.270 439 HD12 ILE 59 1HD1 ILE 59 8.903 -8.271 1.727 440 HD13 ILE 59 2HD1 ILE 59 9.897 -7.023 2.469 441 HA PRO 60 HA PRO 60 17.260 -9.736 3.519 442 HB2 PRO 60 1HB PRO 60 18.930 -7.615 3.175 443 HB3 PRO 60 2HB PRO 60 18.612 -8.758 1.846 444 HG2 PRO 60 1HG PRO 60 17.295 -6.091 2.362 445 HG3 PRO 60 2HG PRO 60 18.036 -6.681 0.857 446 HD2 PRO 60 1HD PRO 60 15.341 -6.839 1.259 447 HD3 PRO 60 2HD PRO 60 16.201 -8.118 0.367 448 H VAL 61 H VAL 61 18.312 -8.977 5.507 449 HA VAL 61 HA VAL 61 16.425 -7.827 7.350 450 HB VAL 61 HB VAL 61 19.366 -8.496 7.794 451 HG11 VAL 61 1HG1 VAL 61 18.660 -8.707 10.191 452 HG12 VAL 61 2HG1 VAL 61 17.048 -8.146 9.748 453 HG13 VAL 61 3HG1 VAL 61 18.431 -7.064 9.595 454 HG21 VAL 61 3HG2 VAL 61 18.491 -10.664 8.661 455 HG22 VAL 61 1HG2 VAL 61 18.092 -10.453 6.956 456 HG23 VAL 61 2HG2 VAL 61 16.862 -10.184 8.190 457 H GLY 62 H GLY 62 16.457 -5.840 8.375 458 HA2 GLY 62 1HA GLY 62 16.942 -3.627 8.760 459 HA3 GLY 62 2HA GLY 62 18.568 -3.918 8.147 460 H GLY 63 H GLY 63 16.312 -4.998 5.932 461 HA2 GLY 63 1HA GLY 63 16.561 -2.562 4.233 462 HA3 GLY 63 2HA GLY 63 16.363 -4.216 3.674 463 H THR 64 H THR 64 14.630 -3.082 2.423 464 HA THR 64 HA THR 64 12.047 -3.455 3.811 465 HB THR 64 HB THR 64 11.144 -1.332 3.029 466 HG1 THR 64 HG1 THR 64 13.178 0.012 2.179 467 HG21 THR 64 3HG2 THR 64 12.375 0.247 4.393 468 HG22 THR 64 1HG2 THR 64 13.861 -0.681 4.227 469 HG23 THR 64 2HG2 THR 64 12.531 -1.316 5.191 470 H GLY 65 H GLY 65 10.335 -3.893 2.407 471 HA2 GLY 65 1HA GLY 65 11.093 -4.893 -0.278 472 HA3 GLY 65 2HA GLY 65 9.670 -5.329 0.666 473 H LEU 66 H LEU 66 9.690 -4.465 -2.055 474 HA LEU 66 HA LEU 66 7.831 -2.183 -1.783 475 HB2 LEU 66 1HB LEU 66 10.378 -1.587 -2.523 476 HB3 LEU 66 2HB LEU 66 9.774 -2.041 -4.112 477 HG LEU 66 HG LEU 66 8.611 0.106 -2.278 478 HD11 LEU 66 1HD1 LEU 66 10.020 0.335 -4.949 479 HD12 LEU 66 2HD1 LEU 66 10.706 0.764 -3.379 480 HD13 LEU 66 3HD1 LEU 66 9.336 1.673 -4.023 481 HD21 LEU 66 3HD2 LEU 66 6.741 -0.830 -3.445 482 HD22 LEU 66 1HD2 LEU 66 7.639 -0.954 -4.961 483 HD23 LEU 66 2HD2 LEU 66 7.169 0.626 -4.336 484 H ALA 67 H ALA 67 5.994 -2.890 -2.550 485 HA ALA 67 HA ALA 67 5.868 -4.855 -4.771 486 HB1 ALA 67 3HB ALA 67 3.757 -3.925 -2.781 487 HB2 ALA 67 1HB ALA 67 4.682 -5.422 -2.673 488 HB3 ALA 67 2HB ALA 67 3.544 -5.186 -3.999 489 H ARG 68 H ARG 68 4.266 -4.520 -6.418 490 HA ARG 68 HA ARG 68 3.591 -1.644 -6.957 491 HB2 ARG 68 1HB ARG 68 5.516 -2.453 -8.358 492 HB3 ARG 68 2HB ARG 68 4.471 -3.699 -9.033 493 HG2 ARG 68 1HG ARG 68 2.932 -1.930 -9.907 494 HG3 ARG 68 2HG ARG 68 3.977 -0.694 -9.217 495 HD2 ARG 68 1HD ARG 68 5.853 -1.517 -10.669 496 HD3 ARG 68 2HD ARG 68 4.731 -2.662 -11.403 497 HE ARG 68 HE ARG 68 3.789 -0.917 -12.618 498 HH11 ARG 68 1HH2 ARG 68 5.738 0.374 -10.041 499 HH12 ARG 68 2HH2 ARG 68 5.561 2.019 -10.556 500 HH21 ARG 68 1HH1 ARG 68 3.564 1.240 -13.279 501 HH22 ARG 68 2HH1 ARG 68 4.334 2.506 -12.383 502 H VAL 69 H VAL 69 1.496 -1.341 -7.096 503 HA VAL 69 HA VAL 69 -0.264 -3.393 -8.324 504 HB VAL 69 HB VAL 69 -0.960 -1.962 -5.711 505 HG11 VAL 69 1HG1 VAL 69 -2.842 -3.592 -5.662 506 HG12 VAL 69 2HG1 VAL 69 -2.320 -4.236 -7.219 507 HG13 VAL 69 3HG1 VAL 69 -2.917 -2.582 -7.106 508 HG21 VAL 69 3HG2 VAL 69 0.846 -3.571 -5.266 509 HG22 VAL 69 1HG2 VAL 69 -0.002 -4.822 -6.179 510 HG23 VAL 69 2HG2 VAL 69 -0.668 -4.228 -4.658 511 H GLN 70 H GLN 70 -2.013 -2.584 -9.382 512 HA GLN 70 HA GLN 70 -2.181 0.391 -9.712 513 HB2 GLN 70 1HB GLN 70 -2.860 -0.081 -12.056 514 HB3 GLN 70 2HB GLN 70 -1.229 -0.653 -11.709 515 HG2 GLN 70 1HG GLN 70 -2.117 -2.958 -11.377 516 HG3 GLN 70 2HG GLN 70 -3.737 -2.389 -11.769 517 HE21 GLN 70 2HE2 GLN 70 -0.485 -2.910 -13.157 518 HE22 GLN 70 1HE2 GLN 70 -1.004 -2.899 -14.773 519 H TRP 71 H TRP 71 -4.151 1.311 -9.713 520 HA TRP 71 HA TRP 71 -6.592 -0.339 -9.577 521 HB2 TRP 71 1HB TRP 71 -5.932 -0.102 -7.210 522 HB3 TRP 71 2HB TRP 71 -5.752 1.637 -7.410 523 HD1 TRP 71 HD1 TRP 71 -8.580 -0.914 -8.185 524 HE1 TRP 71 HE1 TRP 71 -10.822 0.147 -7.484 525 HE3 TRP 71 HE3 TRP 71 -6.916 3.543 -6.340 526 HZ2 TRP 71 HZ2 TRP 71 -11.782 2.561 -6.302 527 HZ3 TRP 71 HZ3 TRP 71 -8.510 5.210 -5.430 528 HH2 TRP 71 HH2 TRP 71 -10.942 4.723 -5.404 529 H LYS 72 H LYS 72 -8.395 0.696 -10.259 530 HA LYS 72 HA LYS 72 -7.980 3.191 -11.777 531 HB2 LYS 72 1HB LYS 72 -9.092 1.225 -12.835 532 HB3 LYS 72 2HB LYS 72 -10.416 1.366 -11.681 533 HG2 LYS 72 1HG LYS 72 -10.919 3.652 -12.516 534 HG3 LYS 72 2HG LYS 72 -9.558 3.553 -13.634 535 HD2 LYS 72 1HD LYS 72 -10.641 1.623 -14.772 536 HD3 LYS 72 2HD LYS 72 -12.012 1.752 -13.668 537 HE2 LYS 72 1HE LYS 72 -11.090 3.903 -15.618 538 HE3 LYS 72 2HE LYS 72 -12.527 2.894 -15.797 539 HZ1 LYS 72 3HZ LYS 72 -13.411 4.745 -14.823 540 HZ2 LYS 72 1HZ LYS 72 -12.015 5.093 -13.924 541 HZ3 LYS 72 2HZ LYS 72 -13.048 3.836 -13.434 542 H ALA 73 H ALA 73 -8.467 5.096 -10.894 543 HA ALA 73 HA ALA 73 -9.878 5.328 -8.383 544 HB1 ALA 73 3HB ALA 73 -9.547 7.760 -8.711 545 HB2 ALA 73 1HB ALA 73 -8.997 7.468 -10.365 546 HB3 ALA 73 2HB ALA 73 -8.051 6.873 -9.002 547 H THR 74 H THR 74 -12.020 5.706 -8.070 548 HA THR 74 HA THR 74 -13.693 7.099 -9.918 549 HB THR 74 HB THR 74 -13.700 5.137 -11.302 550 HG1 THR 74 HG1 THR 74 -15.771 5.144 -11.369 551 HG21 THR 74 3HG2 THR 74 -14.258 3.447 -8.828 552 HG22 THR 74 1HG2 THR 74 -12.710 3.535 -9.656 553 HG23 THR 74 2HG2 THR 74 -14.110 2.860 -10.476 554 H ARG 75 H ARG 75 -15.040 8.123 -8.612 555 HA ARG 75 HA ARG 75 -16.732 6.793 -6.726 556 HB2 ARG 75 1HB ARG 75 -14.367 7.014 -5.531 557 HB3 ARG 75 2HB ARG 75 -14.770 8.715 -5.374 558 HG2 ARG 75 1HG ARG 75 -16.865 8.080 -4.152 559 HG3 ARG 75 2HG ARG 75 -16.430 6.387 -4.311 560 HD2 ARG 75 1HD ARG 75 -14.354 6.808 -3.007 561 HD3 ARG 75 2HD ARG 75 -14.828 8.498 -2.837 562 HE ARG 75 HE ARG 75 -16.345 7.872 -1.199 563 HH11 ARG 75 1HH2 ARG 75 -15.413 5.083 -3.059 564 HH12 ARG 75 2HH2 ARG 75 -16.277 3.963 -2.059 565 HH21 ARG 75 1HH1 ARG 75 -17.484 6.392 0.095 566 HH22 ARG 75 2HH1 ARG 75 -17.445 4.703 -0.281 567 H LYS 76 H LYS 76 -16.362 9.016 -8.938 568 HA LYS 76 HA LYS 76 -17.286 11.463 -7.850 569 HB2 LYS 76 1HB LYS 76 -17.890 11.998 -10.222 570 HB3 LYS 76 2HB LYS 76 -16.254 11.361 -10.068 571 HG2 LYS 76 1HG LYS 76 -17.065 9.106 -10.735 572 HG3 LYS 76 2HG LYS 76 -18.698 9.746 -10.915 573 HD2 LYS 76 1HD LYS 76 -17.910 11.297 -12.681 574 HD3 LYS 76 2HD LYS 76 -16.266 10.682 -12.498 575 HE2 LYS 76 1HE LYS 76 -17.424 9.611 -14.424 576 HE3 LYS 76 2HE LYS 76 -17.019 8.425 -13.180 577 HZ1 LYS 76 3HZ LYS 76 -19.179 8.171 -12.582 578 HZ2 LYS 76 1HZ LYS 76 -19.416 8.573 -14.212 579 HZ3 LYS 76 2HZ LYS 76 -19.619 9.755 -13.009 580 H LEU 77 H LEU 77 -19.382 12.406 -7.994 581 HA LEU 77 HA LEU 77 -21.718 10.628 -8.384 582 HB2 LEU 77 1HB LEU 77 -22.675 11.361 -6.173 583 HB3 LEU 77 2HB LEU 77 -21.293 10.288 -6.017 584 HG LEU 77 HG LEU 77 -20.599 13.245 -6.032 585 HD11 LEU 77 1HD1 LEU 77 -21.195 13.575 -3.656 586 HD12 LEU 77 2HD1 LEU 77 -22.006 12.007 -3.641 587 HD13 LEU 77 3HD1 LEU 77 -22.629 13.311 -4.647 588 HD21 LEU 77 3HD2 LEU 77 -18.899 11.444 -5.668 589 HD22 LEU 77 1HD2 LEU 77 -19.743 10.961 -4.196 590 HD23 LEU 77 2HD2 LEU 77 -18.996 12.556 -4.304 591 H ALA 78 H ALA 78 -20.307 13.278 -9.346 592 HA ALA 78 HA ALA 78 -20.955 15.324 -10.159 593 HB1 ALA 78 3HB ALA 78 -22.403 13.844 -11.527 594 HB2 ALA 78 1HB ALA 78 -23.190 15.389 -11.202 595 HB3 ALA 78 2HB ALA 78 -23.664 13.948 -10.300 596 H GLY 79 H GLY 79 -20.724 15.357 -7.457 597 HA2 GLY 79 1HA GLY 79 -22.182 17.628 -6.668 598 HA3 GLY 79 2HA GLY 79 -22.967 16.214 -5.967 599 H ARG 80 H ARG 80 -21.407 18.468 -4.743 600 HA ARG 80 HA ARG 80 -19.883 18.817 -3.067 601 HB2 ARG 80 1HB ARG 80 -21.373 17.016 -2.043 602 HB3 ARG 80 2HB ARG 80 -20.162 15.828 -2.520 603 HG2 ARG 80 1HG ARG 80 -18.456 17.080 -1.163 604 HG3 ARG 80 2HG ARG 80 -19.712 18.198 -0.647 605 HD2 ARG 80 1HD ARG 80 -19.709 15.198 -0.128 606 HD3 ARG 80 2HD ARG 80 -19.308 16.438 1.060 607 HE ARG 80 HE ARG 80 -21.859 17.013 -0.003 608 HH11 ARG 80 1HH2 ARG 80 -20.265 14.662 2.025 609 HH12 ARG 80 2HH2 ARG 80 -21.710 14.248 2.887 610 HH21 ARG 80 1HH1 ARG 80 -23.725 16.447 1.128 611 HH22 ARG 80 2HH1 ARG 80 -23.657 15.252 2.380 612 H ALA 81 H ALA 81 -18.391 19.072 -5.034 613 HA ALA 81 HA ALA 81 -16.353 16.974 -5.374 614 HB1 ALA 81 3HB ALA 81 -15.441 18.493 -7.092 615 HB2 ALA 81 1HB ALA 81 -16.605 19.738 -6.624 616 HB3 ALA 81 2HB ALA 81 -17.168 18.230 -7.342 617 H ALA 82 H ALA 82 -16.884 19.772 -3.448 618 HA ALA 82 HA ALA 82 -14.105 20.477 -3.003 619 HB1 ALA 82 3HB ALA 82 -15.929 22.139 -2.839 620 HB2 ALA 82 1HB ALA 82 -15.059 22.002 -1.309 621 HB3 ALA 82 2HB ALA 82 -16.637 21.236 -1.503 622 H ASN 83 H ASN 83 -14.666 17.689 -2.570 623 HA ASN 83 HA ASN 83 -13.433 17.392 0.010 624 HB2 ASN 83 1HB ASN 83 -15.769 17.706 0.750 625 HB3 ASN 83 2HB ASN 83 -16.273 16.355 -0.261 626 HD21 ASN 83 2HD2 ASN 83 -15.545 14.167 0.387 627 HD22 ASN 83 1HD2 ASN 83 -15.031 13.868 1.976 628 HA PRO 84 HA PRO 84 -12.306 13.766 -2.482 629 HB2 PRO 84 1HB PRO 84 -10.551 12.493 -0.782 630 HB3 PRO 84 2HB PRO 84 -10.137 13.999 -1.620 631 HG2 PRO 84 1HG PRO 84 -11.074 13.653 1.224 632 HG3 PRO 84 2HG PRO 84 -9.749 14.651 0.604 633 HD2 PRO 84 1HD PRO 84 -12.226 15.702 1.176 634 HD3 PRO 84 2HD PRO 84 -11.201 16.370 -0.113 635 H GLY 85 H GLY 85 -12.143 12.373 0.759 636 HA2 GLY 85 1HA GLY 85 -13.548 10.892 1.880 637 HA3 GLY 85 2HA GLY 85 -14.732 11.017 0.580 638 H VAL 86 H VAL 86 -11.573 10.459 -0.533 639 HA VAL 86 HA VAL 86 -12.039 7.519 -0.840 640 HB VAL 86 HB VAL 86 -12.358 8.652 -2.959 641 HG11 VAL 86 1HG1 VAL 86 -11.131 10.751 -2.493 642 HG12 VAL 86 2HG1 VAL 86 -10.660 10.046 -4.039 643 HG13 VAL 86 3HG1 VAL 86 -9.599 9.895 -2.650 644 HG21 VAL 86 3HG2 VAL 86 -9.547 7.513 -3.295 645 HG22 VAL 86 1HG2 VAL 86 -10.969 7.287 -4.307 646 HG23 VAL 86 2HG2 VAL 86 -10.851 6.463 -2.762 647 HA PRO 87 HA PRO 87 -7.993 8.390 1.427 648 HB2 PRO 87 1HB PRO 87 -8.435 6.849 3.663 649 HB3 PRO 87 2HB PRO 87 -9.078 8.508 3.541 650 HG2 PRO 87 1HG PRO 87 -10.492 5.914 2.857 651 HG3 PRO 87 2HG PRO 87 -11.028 7.199 3.970 652 HD2 PRO 87 1HD PRO 87 -11.966 7.201 1.473 653 HD3 PRO 87 2HD PRO 87 -11.433 8.742 2.183 654 H VAL 88 H VAL 88 -6.448 6.627 2.230 655 HA VAL 88 HA VAL 88 -6.788 4.061 0.724 656 HB VAL 88 HB VAL 88 -4.242 5.741 0.806 657 HG11 VAL 88 1HG1 VAL 88 -3.443 4.090 -0.898 658 HG12 VAL 88 2HG1 VAL 88 -4.936 3.176 -0.692 659 HG13 VAL 88 3HG1 VAL 88 -3.791 3.306 0.640 660 HG21 VAL 88 3HG2 VAL 88 -5.976 6.800 -0.618 661 HG22 VAL 88 1HG2 VAL 88 -6.226 5.270 -1.463 662 HG23 VAL 88 2HG2 VAL 88 -4.691 6.126 -1.615 663 H TYR 89 H TYR 89 -6.213 2.295 1.800 664 HA TYR 89 HA TYR 89 -4.607 2.491 4.302 665 HB2 TYR 89 1HB TYR 89 -7.287 1.069 3.971 666 HB3 TYR 89 2HB TYR 89 -6.212 0.843 5.351 667 HD1 TYR 89 HD2 TYR 89 -5.551 2.880 6.767 668 HD2 TYR 89 HD1 TYR 89 -8.792 3.017 3.921 669 HE1 TYR 89 HE2 TYR 89 -6.436 4.924 7.856 670 HE2 TYR 89 HE1 TYR 89 -9.660 5.059 5.031 671 HH TYR 89 HH TYR 89 -8.392 7.006 6.540 672 H ALA 90 H ALA 90 -3.385 0.739 4.764 673 HA ALA 90 HA ALA 90 -3.429 -1.630 2.989 674 HB1 ALA 90 3HB ALA 90 -1.018 -1.386 2.506 675 HB2 ALA 90 1HB ALA 90 -0.988 0.151 3.376 676 HB3 ALA 90 2HB ALA 90 -1.920 -0.002 1.889 677 H VAL 91 H VAL 91 -2.665 -3.446 3.952 678 HA VAL 91 HA VAL 91 -1.479 -3.265 6.678 679 HB VAL 91 HB VAL 91 -3.772 -5.124 5.883 680 HG11 VAL 91 1HG1 VAL 91 -2.377 -4.633 8.557 681 HG12 VAL 91 2HG1 VAL 91 -2.269 -6.110 7.597 682 HG13 VAL 91 3HG1 VAL 91 -3.800 -5.651 8.335 683 HG21 VAL 91 3HG2 VAL 91 -3.751 -2.629 7.646 684 HG22 VAL 91 1HG2 VAL 91 -5.113 -3.739 7.485 685 HG23 VAL 91 2HG2 VAL 91 -4.577 -2.801 6.096 686 H VAL 92 H VAL 92 0.037 -4.744 7.100 687 HA VAL 92 HA VAL 92 0.967 -6.460 4.884 688 HB VAL 92 HB VAL 92 2.320 -5.845 7.554 689 HG11 VAL 92 1HG1 VAL 92 3.434 -6.906 4.913 690 HG12 VAL 92 2HG1 VAL 92 3.152 -7.886 6.349 691 HG13 VAL 92 3HG1 VAL 92 4.358 -6.613 6.386 692 HG21 VAL 92 3HG2 VAL 92 2.634 -4.491 4.837 693 HG22 VAL 92 1HG2 VAL 92 3.658 -4.189 6.242 694 HG23 VAL 92 2HG2 VAL 92 1.952 -3.750 6.285 695 H ASP 93 H ASP 93 1.035 -8.655 5.016 696 HA ASP 93 HA ASP 93 -0.775 -10.176 6.298 697 HB2 ASP 93 1HB ASP 93 0.836 -12.106 5.985 698 HB3 ASP 93 2HB ASP 93 0.681 -11.073 4.563 699 HA PRO 94 HA PRO 94 0.340 -10.127 10.638 700 HB2 PRO 94 1HB PRO 94 -0.845 -12.385 11.614 701 HB3 PRO 94 2HB PRO 94 -1.815 -11.031 10.991 702 HG2 PRO 94 1HG PRO 94 -0.969 -13.535 9.527 703 HG3 PRO 94 2HG PRO 94 -2.608 -12.856 9.697 704 HD2 PRO 94 1HD PRO 94 -1.152 -12.335 7.464 705 HD3 PRO 94 2HD PRO 94 -2.150 -11.054 8.194 706 H ASP 95 H ASP 95 2.499 -10.344 11.016 707 HA ASP 95 HA ASP 95 3.970 -12.810 10.449 708 HB2 ASP 95 1HB ASP 95 5.918 -11.475 11.251 709 HB3 ASP 95 2HB ASP 95 5.024 -10.640 9.983 710 H ASN 96 H ASN 96 1.852 -12.134 12.767 711 HA ASN 96 HA ASN 96 3.161 -13.867 14.760 712 HB2 ASN 96 1HB ASN 96 2.086 -11.101 15.454 713 HB3 ASN 96 2HB ASN 96 2.709 -12.287 16.600 714 HD21 ASN 96 2HD2 ASN 96 3.610 -9.660 14.576 715 HD22 ASN 96 1HD2 ASN 96 5.292 -9.859 14.688 716 H ARG 97 H ARG 97 1.141 -14.636 13.120 717 HA ARG 97 HA ARG 97 -0.989 -15.511 13.052 718 HB2 ARG 97 1HB ARG 97 -0.598 -15.486 16.065 719 HB3 ARG 97 2HB ARG 97 -1.849 -16.396 15.220 720 HG2 ARG 97 1HG ARG 97 -0.117 -17.694 14.023 721 HG3 ARG 97 2HG ARG 97 1.150 -16.764 14.824 722 HD2 ARG 97 1HD ARG 97 0.359 -17.577 17.032 723 HD3 ARG 97 2HD ARG 97 -0.903 -18.517 16.232 724 HE ARG 97 HE ARG 97 1.583 -19.261 15.130 725 HH11 ARG 97 1HH2 ARG 97 -0.155 -19.427 18.143 726 HH12 ARG 97 2HH2 ARG 97 0.613 -20.892 18.655 727 HH21 ARG 97 1HH1 ARG 97 2.580 -21.176 15.817 728 HH22 ARG 97 2HH1 ARG 97 2.155 -21.878 17.342 729 H VAL 98 H VAL 98 -1.633 -13.953 16.150 730 HA VAL 98 HA VAL 98 -3.382 -11.923 14.829 731 HB VAL 98 HB VAL 98 -4.153 -13.568 17.277 732 HG11 VAL 98 1HG1 VAL 98 -6.388 -12.518 16.920 733 HG12 VAL 98 2HG1 VAL 98 -5.725 -11.577 15.584 734 HG13 VAL 98 3HG1 VAL 98 -5.158 -11.293 17.228 735 HG21 VAL 98 3HG2 VAL 98 -5.809 -14.647 15.750 736 HG22 VAL 98 1HG2 VAL 98 -4.155 -14.980 15.241 737 HG23 VAL 98 2HG2 VAL 98 -5.113 -13.769 14.388 738 H ALA 99 H ALA 99 -2.926 -9.962 15.467 739 HA ALA 99 HA ALA 99 -2.411 -9.201 18.185 740 HB1 ALA 99 3HB ALA 99 -0.039 -9.152 16.278 741 HB2 ALA 99 1HB ALA 99 -0.200 -10.209 17.675 742 HB3 ALA 99 2HB ALA 99 -0.068 -8.473 17.910 743 H GLU 100 H GLU 100 -3.874 -7.571 17.919 744 HA GLU 100 HA GLU 100 -3.955 -5.855 15.614 745 HB2 GLU 100 1HB GLU 100 -5.912 -6.316 17.137 746 HB3 GLU 100 2HB GLU 100 -5.130 -5.347 18.380 747 HG2 GLU 100 1HG GLU 100 -6.761 -3.939 17.221 748 HG3 GLU 100 2HG GLU 100 -5.156 -3.377 16.775 749 H SER 101 H SER 101 -3.058 -5.139 19.001 750 HA SER 101 HA SER 101 -2.045 -2.591 18.738 751 HB2 SER 101 1HB SER 101 -2.166 -3.777 20.893 752 HB3 SER 101 2HB SER 101 -0.852 -4.838 20.395 753 HG SER 101 HG SER 101 -0.286 -2.175 20.101 754 H ASP 102 H ASP 102 -0.177 -5.599 18.153 755 HA ASP 102 HA ASP 102 2.254 -4.342 17.395 756 HB2 ASP 102 1HB ASP 102 2.011 -6.776 17.941 757 HB3 ASP 102 2HB ASP 102 1.175 -7.012 16.410 758 H LYS 103 H LYS 103 0.101 -6.055 15.098 759 HA LYS 103 HA LYS 103 1.009 -5.025 12.707 760 HB2 LYS 103 1HB LYS 103 -1.892 -5.515 13.485 761 HB3 LYS 103 2HB LYS 103 -1.335 -5.305 11.824 762 HG2 LYS 103 1HG LYS 103 0.068 -7.311 11.984 763 HG3 LYS 103 2HG LYS 103 -0.295 -7.476 13.693 764 HD2 LYS 103 1HD LYS 103 -1.667 -9.073 12.476 765 HD3 LYS 103 2HD LYS 103 -2.723 -7.822 13.119 766 HE2 LYS 103 1HE LYS 103 -3.167 -8.534 10.674 767 HE3 LYS 103 2HE LYS 103 -3.002 -6.804 10.935 768 HZ1 LYS 103 3HZ LYS 103 -0.576 -8.317 10.322 769 HZ2 LYS 103 1HZ LYS 103 -1.016 -6.742 9.872 770 HZ3 LYS 103 2HZ LYS 103 -1.689 -8.073 9.061 771 H ALA 104 H ALA 104 -1.402 -3.456 14.821 772 HA ALA 104 HA ALA 104 -2.014 -1.189 13.311 773 HB1 ALA 104 3HB ALA 104 -1.686 -1.346 16.329 774 HB2 ALA 104 1HB ALA 104 -3.142 -1.781 15.435 775 HB3 ALA 104 2HB ALA 104 -2.590 -0.105 15.456 776 H ASN 105 H ASN 105 1.024 -2.072 14.384 777 HA ASN 105 HA ASN 105 2.119 0.631 14.766 778 HB2 ASN 105 1HB ASN 105 3.624 -2.008 14.548 779 HB3 ASN 105 2HB ASN 105 4.285 -0.460 15.061 780 HD21 ASN 105 2HD2 ASN 105 1.440 -0.097 16.482 781 HD22 ASN 105 1HD2 ASN 105 1.677 -0.936 17.939 782 H ASN 106 H ASN 106 2.082 -1.886 12.261 783 HA ASN 106 HA ASN 106 3.681 -0.239 10.406 784 HB2 ASN 106 1HB ASN 106 2.567 -3.063 10.181 785 HB3 ASN 106 2HB ASN 106 3.630 -2.286 9.009 786 HD21 ASN 106 2HD2 ASN 106 5.453 -1.013 10.833 787 HD22 ASN 106 1HD2 ASN 106 6.308 -2.229 11.654 788 H VAL 107 H VAL 107 1.266 0.937 11.038 789 HA VAL 107 HA VAL 107 -0.537 0.405 8.718 790 HB VAL 107 HB VAL 107 -1.554 0.340 10.984 791 HG11 VAL 107 1HG1 VAL 107 -0.016 2.057 12.036 792 HG12 VAL 107 2HG1 VAL 107 -1.723 2.331 12.382 793 HG13 VAL 107 3HG1 VAL 107 -0.900 3.317 11.178 794 HG21 VAL 107 3HG2 VAL 107 -2.491 2.742 9.342 795 HG22 VAL 107 1HG2 VAL 107 -3.462 1.827 10.495 796 HG23 VAL 107 2HG2 VAL 107 -2.910 1.063 9.005 797 H PHE 108 H PHE 108 -0.878 1.935 7.205 798 HA PHE 108 HA PHE 108 0.191 4.670 7.558 799 HB2 PHE 108 1HB PHE 108 0.950 2.887 5.201 800 HB3 PHE 108 2HB PHE 108 1.480 4.544 5.491 801 HD1 PHE 108 HD1 PHE 108 2.598 4.972 7.895 802 HD2 PHE 108 HD2 PHE 108 2.442 1.120 5.948 803 HE1 PHE 108 HE1 PHE 108 4.490 4.181 9.282 804 HE2 PHE 108 HE2 PHE 108 4.339 0.351 7.343 805 HZ PHE 108 HZ PHE 108 5.363 1.878 9.007 806 H SER 109 H SER 109 -0.880 6.187 6.399 807 HA SER 109 HA SER 109 -2.612 5.640 4.177 808 HB2 SER 109 1HB SER 109 -4.759 6.182 5.389 809 HB3 SER 109 2HB SER 109 -4.051 4.654 5.900 810 HG SER 109 HG SER 109 -3.220 5.681 7.707 811 H ARG 110 H ARG 110 -3.219 7.513 3.178 812 HA ARG 110 HA ARG 110 -2.865 10.115 4.552 813 HB2 ARG 110 1HB ARG 110 -1.398 10.966 2.801 814 HB3 ARG 110 2HB ARG 110 -0.683 9.501 3.475 815 HG2 ARG 110 1HG ARG 110 -1.657 8.194 1.551 816 HG3 ARG 110 2HG ARG 110 -2.237 9.713 0.857 817 HD2 ARG 110 1HD ARG 110 0.672 9.053 1.428 818 HD3 ARG 110 2HD ARG 110 -0.095 9.026 -0.161 819 HE ARG 110 HE ARG 110 -0.555 11.554 0.968 820 HH11 ARG 110 1HH2 ARG 110 2.110 9.628 -0.192 821 HH12 ARG 110 2HH2 ARG 110 3.058 11.002 -0.655 822 HH21 ARG 110 1HH1 ARG 110 0.695 13.322 0.363 823 HH22 ARG 110 2HH1 ARG 110 2.260 13.086 -0.342 824 H ILE 111 H ILE 111 -4.065 11.757 3.693 825 HA ILE 111 HA ILE 111 -6.271 10.952 1.900 826 HB ILE 111 HB ILE 111 -5.799 13.375 3.691 827 HG12 ILE 111 1HG1 ILE 111 -7.821 12.505 4.900 828 HG13 ILE 111 2HG1 ILE 111 -7.880 11.145 3.787 829 HG21 ILE 111 1HG2 ILE 111 -8.082 12.852 1.724 830 HG22 ILE 111 2HG2 ILE 111 -7.051 14.281 1.798 831 HG23 ILE 111 3HG2 ILE 111 -8.241 13.991 3.063 832 HD11 ILE 111 3HD1 ILE 111 -5.987 10.134 4.725 833 HD12 ILE 111 1HD1 ILE 111 -6.763 10.851 6.131 834 HD13 ILE 111 2HD1 ILE 111 -5.369 11.646 5.404 835 H VAL 112 H VAL 112 -6.670 11.923 -0.037 836 HA VAL 112 HA VAL 112 -4.760 13.962 -1.081 837 HB VAL 112 HB VAL 112 -4.645 12.659 -3.248 838 HG11 VAL 112 1HG1 VAL 112 -2.957 11.040 -2.452 839 HG12 VAL 112 2HG1 VAL 112 -3.560 11.189 -0.806 840 HG13 VAL 112 3HG1 VAL 112 -2.790 12.565 -1.592 841 HG21 VAL 112 3HG2 VAL 112 -5.236 10.245 -3.204 842 HG22 VAL 112 1HG2 VAL 112 -6.662 11.238 -2.902 843 HG23 VAL 112 2HG2 VAL 112 -5.859 10.420 -1.563 844 H LYS 113 H LYS 113 -5.623 15.431 -2.410 845 HA LYS 113 HA LYS 113 -8.566 15.332 -2.898 846 HB2 LYS 113 1HB LYS 113 -6.686 17.715 -2.657 847 HB3 LYS 113 2HB LYS 113 -8.422 17.802 -2.968 848 HG2 LYS 113 1HG LYS 113 -8.844 16.622 -0.794 849 HG3 LYS 113 2HG LYS 113 -7.110 16.636 -0.475 850 HD2 LYS 113 1HD LYS 113 -7.122 19.122 -0.533 851 HD3 LYS 113 2HD LYS 113 -8.856 19.104 -0.853 852 HE2 LYS 113 1HE LYS 113 -9.241 17.952 1.319 853 HE3 LYS 113 2HE LYS 113 -7.508 18.001 1.644 854 HZ1 LYS 113 3HZ LYS 113 -7.541 20.235 1.996 855 HZ2 LYS 113 1HZ LYS 113 -9.110 19.859 2.520 856 HZ3 LYS 113 2HZ LYS 113 -8.867 20.507 0.969 857 H VAL 114 H VAL 114 -9.360 15.739 -4.898 858 HA VAL 114 HA VAL 114 -7.430 15.748 -7.173 859 HB VAL 114 HB VAL 114 -9.288 14.710 -8.460 860 HG11 VAL 114 1HG1 VAL 114 -9.204 12.491 -7.332 861 HG12 VAL 114 2HG1 VAL 114 -8.604 13.263 -5.864 862 HG13 VAL 114 3HG1 VAL 114 -7.627 13.273 -7.330 863 HG21 VAL 114 3HG2 VAL 114 -11.244 15.588 -7.225 864 HG22 VAL 114 1HG2 VAL 114 -10.747 14.720 -5.773 865 HG23 VAL 114 2HG2 VAL 114 -11.286 13.830 -7.197 866 H LEU 115 H LEU 115 -7.500 17.334 -8.622 867 HA LEU 115 HA LEU 115 -9.144 19.682 -8.051 868 HB2 LEU 115 1HB LEU 115 -6.878 19.065 -9.972 869 HB3 LEU 115 2HB LEU 115 -7.814 20.542 -10.172 870 HG LEU 115 HG LEU 115 -5.718 20.897 -8.844 871 HD11 LEU 115 1HD1 LEU 115 -6.603 22.444 -7.382 872 HD12 LEU 115 2HD1 LEU 115 -7.892 21.392 -6.806 873 HD13 LEU 115 3HD1 LEU 115 -8.030 22.181 -8.378 874 HD21 LEU 115 3HD2 LEU 115 -5.391 19.935 -6.661 875 HD22 LEU 115 1HD2 LEU 115 -5.734 18.599 -7.759 876 HD23 LEU 115 2HD2 LEU 115 -6.988 19.193 -6.668 877 H GLU 116 H GLU 116 -10.916 20.284 -9.090 878 HA GLU 116 HA GLU 116 -11.776 18.860 -11.578 879 HB2 GLU 116 1HB GLU 116 -13.493 19.561 -9.164 880 HB3 GLU 116 2HB GLU 116 -14.073 18.831 -10.661 881 HG2 GLU 116 1HG GLU 116 -12.034 17.571 -8.778 882 HG3 GLU 116 2HG GLU 116 -13.737 17.135 -8.856 883 H HIS 117 H HIS 117 -11.408 20.457 -12.997 884 HA HIS 117 HA HIS 117 -13.219 22.696 -13.055 885 HB2 HIS 117 1HB HIS 117 -11.479 24.462 -13.009 886 HB3 HIS 117 2HB HIS 117 -11.538 23.590 -11.479 887 HD1 HIS 117 HD1 HIS 117 -9.890 21.091 -12.203 888 HD2 HIS 117 HD2 HIS 117 -8.747 24.966 -13.235 889 HE1 HIS 117 HE1 HIS 117 -7.387 21.023 -12.587 890 HE2 HIS 117 HE2 HIS 117 -6.676 23.378 -13.217 891 H HIS 118 H HIS 118 -12.663 24.134 -14.964 892 HA HIS 118 HA HIS 118 -11.144 22.813 -17.122 893 HB2 HIS 118 1HB HIS 118 -14.134 23.378 -17.338 894 HB3 HIS 118 2HB HIS 118 -13.096 22.806 -18.646 895 HD1 HIS 118 HD1 HIS 118 -14.642 21.704 -15.388 896 HD2 HIS 118 HD2 HIS 118 -12.418 20.053 -18.505 897 HE1 HIS 118 HE1 HIS 118 -14.663 19.197 -15.033 898 HE2 HIS 118 HE2 HIS 118 -13.312 18.176 -16.925 899 H HIS 119 H HIS 119 -10.690 24.177 -18.860 900 HA HIS 119 HA HIS 119 -10.364 26.939 -18.176 901 HB2 HIS 119 1HB HIS 119 -10.033 25.516 -20.852 902 HB3 HIS 119 2HB HIS 119 -9.451 27.139 -20.478 903 HD1 HIS 119 HD1 HIS 119 -7.913 27.088 -18.075 904 HD2 HIS 119 HD2 HIS 119 -8.025 23.665 -20.455 905 HE1 HIS 119 HE1 HIS 119 -5.900 25.696 -17.424 906 HE2 HIS 119 HE2 HIS 119 -5.953 23.608 -18.866 907 H HIS 120 H HIS 120 -11.827 28.511 -18.353 908 HA HIS 120 HA HIS 120 -14.391 28.098 -19.652 909 HB2 HIS 120 1HB HIS 120 -13.219 30.575 -18.314 910 HB3 HIS 120 2HB HIS 120 -14.914 30.316 -18.722 911 HD1 HIS 120 HD1 HIS 120 -12.253 29.272 -16.294 912 HD2 HIS 120 HD2 HIS 120 -16.292 28.506 -16.988 913 HE1 HIS 120 HE1 HIS 120 -13.112 28.050 -14.249 914 HE2 HIS 120 HE2 HIS 120 -15.573 27.576 -14.655 915 H HIS 121 H HIS 121 -14.805 30.780 -20.528 916 HA HIS 121 HA HIS 121 -14.741 31.986 -22.481 917 HB2 HIS 121 1HB HIS 121 -11.760 31.378 -22.346 918 HB3 HIS 121 2HB HIS 121 -12.509 32.666 -23.280 919 HD1 HIS 121 HD1 HIS 121 -13.903 34.470 -21.755 920 HD2 HIS 121 HD2 HIS 121 -11.114 32.096 -19.762 921 HE1 HIS 121 HE1 HIS 121 -13.419 35.625 -19.552 922 HE2 HIS 121 HE2 HIS 121 -11.721 34.189 -18.326 923 H HIS 122 H HIS 122 -12.045 29.870 -23.404 924 HA HIS 122 HA HIS 122 -13.603 28.091 -25.045 925 HB2 HIS 122 1HB HIS 122 -12.755 28.897 -27.240 926 HB3 HIS 122 2HB HIS 122 -13.775 30.106 -26.457 927 HD1 HIS 122 HD1 HIS 122 -11.703 31.264 -24.457 928 HD2 HIS 122 HD2 HIS 122 -10.908 30.581 -28.491 929 HE1 HIS 122 HE1 HIS 122 -9.757 32.763 -25.065 930 HE2 HIS 122 HE2 HIS 122 -9.259 32.360 -27.522 Start of MODEL 2 1 H1 MET 1 1H MET 1 10.821 14.671 3.483 2 H2 MET 1 2H MET 1 11.105 12.999 3.573 3 H3 MET 1 3H MET 1 9.680 13.656 4.225 4 HA MET 1 HA MET 1 8.709 13.996 2.195 5 HB2 MET 1 1HB MET 1 10.070 14.015 0.066 6 HB3 MET 1 2HB MET 1 10.519 15.297 1.188 7 HG2 MET 1 1HG MET 1 12.434 13.946 1.984 8 HG3 MET 1 2HG MET 1 11.987 12.647 0.879 9 HE1 MET 1 3HE MET 1 14.288 12.588 -0.068 10 HE2 MET 1 1HE MET 1 14.867 13.929 0.929 11 HE3 MET 1 2HE MET 1 15.160 13.927 -0.808 12 H ASP 2 H ASP 2 10.730 11.600 3.413 13 HA ASP 2 HA ASP 2 10.128 9.492 1.487 14 HB2 ASP 2 1HB ASP 2 11.372 9.410 4.265 15 HB3 ASP 2 2HB ASP 2 11.342 8.075 3.116 16 H LEU 3 H LEU 3 7.766 9.886 1.634 17 HA LEU 3 HA LEU 3 6.381 9.183 4.070 18 HB2 LEU 3 1HB LEU 3 5.567 9.933 1.258 19 HB3 LEU 3 2HB LEU 3 4.360 9.137 2.260 20 HG LEU 3 HG LEU 3 4.655 10.913 3.999 21 HD11 LEU 3 1HD1 LEU 3 6.539 12.153 1.954 22 HD12 LEU 3 2HD1 LEU 3 6.971 11.583 3.567 23 HD13 LEU 3 3HD1 LEU 3 5.929 12.986 3.385 24 HD21 LEU 3 3HD2 LEU 3 3.550 12.735 2.731 25 HD22 LEU 3 1HD2 LEU 3 2.906 11.161 2.267 26 HD23 LEU 3 2HD2 LEU 3 4.052 11.987 1.213 27 HA PRO 4 HA PRO 4 6.256 4.767 3.503 28 HB2 PRO 4 1HB PRO 4 3.869 4.054 4.690 29 HB3 PRO 4 2HB PRO 4 5.241 4.688 5.636 30 HG2 PRO 4 1HG PRO 4 2.866 6.210 4.545 31 HG3 PRO 4 2HG PRO 4 3.496 6.188 6.211 32 HD2 PRO 4 1HD PRO 4 4.185 8.197 4.537 33 HD3 PRO 4 2HD PRO 4 5.404 7.507 5.633 34 H ILE 5 H ILE 5 3.694 6.743 2.209 35 HA ILE 5 HA ILE 5 3.069 4.670 0.131 36 HB ILE 5 HB ILE 5 1.126 6.672 1.372 37 HG12 ILE 5 1HG1 ILE 5 1.219 3.622 1.638 38 HG13 ILE 5 2HG1 ILE 5 1.785 4.724 2.883 39 HG21 ILE 5 1HG2 ILE 5 0.726 4.457 -0.699 40 HG22 ILE 5 2HG2 ILE 5 0.597 6.187 -1.008 41 HG23 ILE 5 3HG2 ILE 5 -0.577 5.396 0.019 42 HD11 ILE 5 3HD1 ILE 5 -1.052 4.561 1.831 43 HD12 ILE 5 1HD1 ILE 5 -0.480 5.718 3.034 44 HD13 ILE 5 2HD1 ILE 5 -0.484 3.993 3.392 45 H THR 6 H THR 6 3.332 5.307 -1.897 46 HA THR 6 HA THR 6 3.388 8.224 -2.581 47 HB THR 6 HB THR 6 5.363 6.157 -3.646 48 HG1 THR 6 HG1 THR 6 5.762 8.266 -1.796 49 HG21 THR 6 3HG2 THR 6 4.926 8.041 -5.202 50 HG22 THR 6 1HG2 THR 6 6.540 8.171 -4.505 51 HG23 THR 6 2HG2 THR 6 5.237 9.190 -3.901 52 H LEU 7 H LEU 7 1.946 8.643 -4.082 53 HA LEU 7 HA LEU 7 0.925 6.484 -5.862 54 HB2 LEU 7 1HB LEU 7 -0.229 9.258 -5.371 55 HB3 LEU 7 2HB LEU 7 -0.996 7.907 -6.196 56 HG LEU 7 HG LEU 7 -0.399 6.712 -3.731 57 HD11 LEU 7 1HD1 LEU 7 0.435 8.845 -2.788 58 HD12 LEU 7 2HD1 LEU 7 -0.999 8.282 -1.933 59 HD13 LEU 7 3HD1 LEU 7 -1.127 9.601 -3.100 60 HD21 LEU 7 3HD2 LEU 7 -2.799 7.069 -3.133 61 HD22 LEU 7 1HD2 LEU 7 -2.583 6.579 -4.811 62 HD23 LEU 7 2HD2 LEU 7 -2.921 8.266 -4.427 63 H SER 8 H SER 8 0.851 6.748 -8.088 64 HA SER 8 HA SER 8 2.904 8.512 -9.238 65 HB2 SER 8 1HB SER 8 2.437 7.253 -11.325 66 HB3 SER 8 2HB SER 8 2.779 6.174 -9.978 67 HG SER 8 HG SER 8 0.412 6.639 -11.359 68 H LYS 9 H LYS 9 0.548 9.782 -8.119 69 HA LYS 9 HA LYS 9 -1.220 10.578 -10.233 70 HB2 LYS 9 1HB LYS 9 -1.768 10.603 -7.740 71 HB3 LYS 9 2HB LYS 9 -0.762 12.037 -7.591 72 HG2 LYS 9 1HG LYS 9 -2.212 13.259 -9.175 73 HG3 LYS 9 2HG LYS 9 -3.163 11.818 -9.477 74 HD2 LYS 9 1HD LYS 9 -2.982 12.673 -6.576 75 HD3 LYS 9 2HD LYS 9 -3.896 13.744 -7.630 76 HE2 LYS 9 1HE LYS 9 -5.352 12.020 -6.571 77 HE3 LYS 9 2HE LYS 9 -5.354 11.885 -8.326 78 HZ1 LYS 9 3HZ LYS 9 -3.621 10.170 -8.109 79 HZ2 LYS 9 1HZ LYS 9 -5.090 9.726 -7.387 80 HZ3 LYS 9 2HZ LYS 9 -3.789 10.237 -6.419 81 H GLU 10 H GLU 10 1.074 10.887 -11.437 82 HA GLU 10 HA GLU 10 2.595 13.198 -11.176 83 HB2 GLU 10 1HB GLU 10 1.711 11.813 -13.739 84 HB3 GLU 10 2HB GLU 10 3.054 12.955 -13.622 85 HG2 GLU 10 1HG GLU 10 4.202 11.446 -12.026 86 HG3 GLU 10 2HG GLU 10 2.862 10.307 -12.132 87 H THR 11 H THR 11 -0.609 12.782 -12.544 88 HA THR 11 HA THR 11 -0.882 15.730 -12.796 89 HB THR 11 HB THR 11 -2.097 15.472 -14.890 90 HG1 THR 11 HG1 THR 11 -2.993 13.611 -15.156 91 HG21 THR 11 3HG2 THR 11 0.485 13.854 -14.988 92 HG22 THR 11 1HG2 THR 11 0.421 15.620 -14.961 93 HG23 THR 11 2HG2 THR 11 -0.254 14.729 -16.325 94 HA PRO 12 HA PRO 12 -4.649 14.686 -10.510 95 HB2 PRO 12 1HB PRO 12 -5.829 17.107 -10.287 96 HB3 PRO 12 2HB PRO 12 -4.247 16.810 -9.524 97 HG2 PRO 12 1HG PRO 12 -4.803 18.119 -12.196 98 HG3 PRO 12 2HG PRO 12 -3.810 18.728 -10.854 99 HD2 PRO 12 1HD PRO 12 -2.675 17.388 -12.973 100 HD3 PRO 12 2HD PRO 12 -2.025 17.243 -11.318 101 H PHE 13 H PHE 13 -6.166 13.475 -11.546 102 HA PHE 13 HA PHE 13 -8.225 14.701 -13.142 103 HB2 PHE 13 1HB PHE 13 -6.306 14.440 -14.812 104 HB3 PHE 13 2HB PHE 13 -6.445 12.698 -14.619 105 HD1 PHE 13 HD1 PHE 13 -8.592 11.515 -15.294 106 HD2 PHE 13 HD2 PHE 13 -7.991 15.708 -16.093 107 HE1 PHE 13 HE1 PHE 13 -10.475 11.484 -16.903 108 HE2 PHE 13 HE2 PHE 13 -9.875 15.663 -17.700 109 HZ PHE 13 HZ PHE 13 -11.117 13.556 -18.105 110 H GLU 14 H GLU 14 -9.799 13.740 -11.960 111 HA GLU 14 HA GLU 14 -9.796 11.204 -10.804 112 HB2 GLU 14 1HB GLU 14 -11.469 13.018 -10.352 113 HB3 GLU 14 2HB GLU 14 -12.241 12.662 -11.893 114 HG2 GLU 14 1HG GLU 14 -12.712 10.345 -11.127 115 HG3 GLU 14 2HG GLU 14 -11.906 10.681 -9.599 116 H GLY 15 H GLY 15 -10.562 9.177 -11.424 117 HA2 GLY 15 1HA GLY 15 -11.417 7.540 -12.881 118 HA3 GLY 15 2HA GLY 15 -11.431 8.688 -14.203 119 H GLU 16 H GLU 16 -8.593 9.471 -13.378 120 HA GLU 16 HA GLU 16 -7.211 7.777 -15.224 121 HB2 GLU 16 1HB GLU 16 -6.609 10.164 -14.765 122 HB3 GLU 16 2HB GLU 16 -6.030 9.701 -13.169 123 HG2 GLU 16 1HG GLU 16 -4.343 8.202 -14.217 124 HG3 GLU 16 2HG GLU 16 -4.944 8.634 -15.814 125 H GLU 17 H GLU 17 -5.823 6.092 -14.877 126 HA GLU 17 HA GLU 17 -6.155 4.544 -12.496 127 HB2 GLU 17 1HB GLU 17 -5.739 3.580 -14.775 128 HB3 GLU 17 2HB GLU 17 -4.086 4.188 -14.712 129 HG2 GLU 17 1HG GLU 17 -3.661 2.813 -12.682 130 HG3 GLU 17 2HG GLU 17 -5.320 2.224 -12.732 131 H ILE 18 H ILE 18 -4.919 4.456 -10.707 132 HA ILE 18 HA ILE 18 -2.374 6.045 -10.588 133 HB ILE 18 HB ILE 18 -2.935 6.401 -8.158 134 HG12 ILE 18 1HG1 ILE 18 -5.727 5.405 -8.949 135 HG13 ILE 18 2HG1 ILE 18 -4.590 4.448 -8.010 136 HG21 ILE 18 1HG2 ILE 18 -4.976 7.465 -10.161 137 HG22 ILE 18 2HG2 ILE 18 -3.385 8.160 -9.850 138 HG23 ILE 18 3HG2 ILE 18 -4.615 8.187 -8.595 139 HD11 ILE 18 3HD1 ILE 18 -4.531 6.218 -6.275 140 HD12 ILE 18 1HD1 ILE 18 -6.153 5.576 -6.510 141 HD13 ILE 18 2HD1 ILE 18 -5.721 7.139 -7.190 142 H THR 19 H THR 19 -0.658 5.180 -9.550 143 HA THR 19 HA THR 19 -0.724 2.247 -9.119 144 HB THR 19 HB THR 19 1.671 4.128 -9.231 145 HG1 THR 19 HG1 THR 19 0.243 2.714 -11.203 146 HG21 THR 19 3HG2 THR 19 1.426 1.110 -9.550 147 HG22 THR 19 1HG2 THR 19 2.127 1.936 -8.157 148 HG23 THR 19 2HG2 THR 19 2.910 2.042 -9.730 149 H VAL 20 H VAL 20 -1.261 1.703 -7.098 150 HA VAL 20 HA VAL 20 -0.470 3.385 -4.794 151 HB VAL 20 HB VAL 20 -2.172 0.845 -4.848 152 HG11 VAL 20 1HG1 VAL 20 -1.242 1.399 -2.609 153 HG12 VAL 20 2HG1 VAL 20 -2.973 1.702 -2.644 154 HG13 VAL 20 3HG1 VAL 20 -1.844 3.051 -2.758 155 HG21 VAL 20 3HG2 VAL 20 -4.108 2.414 -4.745 156 HG22 VAL 20 1HG2 VAL 20 -3.201 2.620 -6.240 157 HG23 VAL 20 2HG2 VAL 20 -3.008 3.780 -4.928 158 H SER 21 H SER 21 1.444 2.982 -3.867 159 HA SER 21 HA SER 21 2.482 0.179 -3.692 160 HB2 SER 21 1HB SER 21 3.780 1.409 -5.368 161 HB3 SER 21 2HB SER 21 4.022 2.740 -4.240 162 HG SER 21 HG SER 21 4.712 0.418 -3.084 163 H ALA 22 H ALA 22 3.197 -0.435 -1.754 164 HA ALA 22 HA ALA 22 3.331 1.558 0.482 165 HB1 ALA 22 3HB ALA 22 2.438 -0.237 1.922 166 HB2 ALA 22 1HB ALA 22 2.332 -1.316 0.525 167 HB3 ALA 22 2HB ALA 22 1.319 0.124 0.607 168 H ARG 23 H ARG 23 5.301 1.675 1.347 169 HA ARG 23 HA ARG 23 7.375 -0.255 0.688 170 HB2 ARG 23 1HB ARG 23 7.420 2.109 2.607 171 HB3 ARG 23 2HB ARG 23 8.831 1.172 2.101 172 HG2 ARG 23 1HG ARG 23 8.362 1.803 -0.281 173 HG3 ARG 23 2HG ARG 23 7.012 2.801 0.272 174 HD2 ARG 23 1HD ARG 23 9.930 3.163 1.058 175 HD3 ARG 23 2HD ARG 23 9.040 4.176 -0.081 176 HE ARG 23 HE ARG 23 7.587 4.183 2.304 177 HH11 ARG 23 1HH2 ARG 23 10.710 5.171 1.148 178 HH12 ARG 23 2HH2 ARG 23 10.882 6.444 2.307 179 HH21 ARG 23 1HH1 ARG 23 7.823 5.848 3.824 180 HH22 ARG 23 2HH1 ARG 23 9.250 6.830 3.818 181 H VAL 24 H VAL 24 7.537 -2.138 1.675 182 HA VAL 24 HA VAL 24 6.450 -2.554 4.398 183 HB VAL 24 HB VAL 24 7.550 -4.531 2.351 184 HG11 VAL 24 1HG1 VAL 24 6.275 -6.194 3.805 185 HG12 VAL 24 2HG1 VAL 24 6.079 -4.922 5.000 186 HG13 VAL 24 3HG1 VAL 24 7.690 -5.501 4.591 187 HG21 VAL 24 3HG2 VAL 24 4.682 -3.767 3.053 188 HG22 VAL 24 1HG2 VAL 24 5.153 -5.067 1.960 189 HG23 VAL 24 2HG2 VAL 24 5.508 -3.396 1.537 190 H THR 25 H THR 25 7.786 -2.419 6.089 191 HA THR 25 HA THR 25 10.733 -2.766 5.710 192 HB THR 25 HB THR 25 9.217 -1.333 7.930 193 HG1 THR 25 HG1 THR 25 10.025 0.512 6.850 194 HG21 THR 25 3HG2 THR 25 11.422 -2.128 8.701 195 HG22 THR 25 1HG2 THR 25 11.486 -0.388 8.434 196 HG23 THR 25 2HG2 THR 25 12.187 -1.485 7.247 197 H ASN 26 H ASN 26 11.575 -4.585 6.463 198 HA ASN 26 HA ASN 26 10.056 -6.343 8.276 199 HB2 ASN 26 1HB ASN 26 12.690 -6.710 6.805 200 HB3 ASN 26 2HB ASN 26 11.895 -7.953 7.772 201 HD21 ASN 26 2HD2 ASN 26 11.815 -9.183 5.650 202 HD22 ASN 26 1HD2 ASN 26 10.549 -8.850 4.573 203 H ARG 27 H ARG 27 10.414 -6.437 10.390 204 HA ARG 27 HA ARG 27 12.985 -5.425 11.549 205 HB2 ARG 27 1HB ARG 27 10.164 -4.958 12.594 206 HB3 ARG 27 2HB ARG 27 11.655 -4.455 13.396 207 HG2 ARG 27 1HG ARG 27 12.223 -3.034 11.427 208 HG3 ARG 27 2HG ARG 27 10.719 -3.526 10.644 209 HD2 ARG 27 1HD ARG 27 10.406 -1.338 11.706 210 HD3 ARG 27 2HD ARG 27 9.444 -2.543 12.559 211 HE ARG 27 HE ARG 27 10.773 -2.215 14.434 212 HH11 ARG 27 1HH2 ARG 27 12.395 -0.959 11.622 213 HH12 ARG 27 2HH2 ARG 27 13.705 -0.274 12.523 214 HH21 ARG 27 1HH1 ARG 27 12.498 -1.322 15.598 215 HH22 ARG 27 2HH1 ARG 27 13.763 -0.480 14.766 216 H GLY 28 H GLY 28 13.934 -6.790 12.895 217 HA2 GLY 28 1HA GLY 28 12.774 -8.414 14.821 218 HA3 GLY 28 2HA GLY 28 12.918 -9.420 13.379 219 H ALA 29 H ALA 29 14.826 -10.408 13.028 220 HA ALA 29 HA ALA 29 17.387 -9.306 13.738 221 HB1 ALA 29 3HB ALA 29 16.351 -11.620 15.420 222 HB2 ALA 29 1HB ALA 29 16.626 -9.979 15.998 223 HB3 ALA 29 2HB ALA 29 17.989 -10.964 15.472 224 H ALA 30 H ALA 30 15.480 -11.204 11.907 225 HA ALA 30 HA ALA 30 17.770 -12.635 10.694 226 HB1 ALA 30 3HB ALA 30 16.516 -14.762 10.638 227 HB2 ALA 30 1HB ALA 30 15.196 -14.021 11.548 228 HB3 ALA 30 2HB ALA 30 16.773 -14.239 12.302 229 H GLU 31 H GLU 31 17.229 -13.523 8.587 230 HA GLU 31 HA GLU 31 15.860 -11.616 6.960 231 HB2 GLU 31 1HB GLU 31 16.845 -14.423 6.317 232 HB3 GLU 31 2HB GLU 31 16.302 -13.250 5.116 233 HG2 GLU 31 1HG GLU 31 18.088 -11.684 5.831 234 HG3 GLU 31 2HG GLU 31 18.635 -12.850 7.032 235 H ALA 32 H ALA 32 13.730 -11.443 6.658 236 HA ALA 32 HA ALA 32 11.896 -13.646 7.380 237 HB1 ALA 32 3HB ALA 32 11.354 -10.765 6.587 238 HB2 ALA 32 1HB ALA 32 11.454 -11.367 8.238 239 HB3 ALA 32 2HB ALA 32 10.154 -11.914 7.178 240 H HIS 33 H HIS 33 10.270 -14.364 5.943 241 HA HIS 33 HA HIS 33 10.532 -13.715 3.056 242 HB2 HIS 33 1HB HIS 33 10.627 -16.546 4.181 243 HB3 HIS 33 2HB HIS 33 10.634 -16.102 2.473 244 HD1 HIS 33 HD1 HIS 33 12.812 -16.358 5.474 245 HD2 HIS 33 HD2 HIS 33 13.096 -14.824 1.608 246 HE1 HIS 33 HE1 HIS 33 15.270 -15.914 5.059 247 HE2 HIS 33 HE2 HIS 33 15.460 -14.978 2.707 248 H ASN 34 H ASN 34 8.788 -14.865 1.819 249 HA ASN 34 HA ASN 34 6.529 -14.933 1.386 250 HB2 ASN 34 1HB ASN 34 6.849 -17.101 2.535 251 HB3 ASN 34 2HB ASN 34 6.500 -16.332 4.081 252 HD21 ASN 34 2HD2 ASN 34 5.040 -17.221 0.941 253 HD22 ASN 34 1HD2 ASN 34 3.434 -17.145 1.485 254 H VAL 35 H VAL 35 6.859 -12.501 1.850 255 HA VAL 35 HA VAL 35 5.083 -11.583 4.073 256 HB VAL 35 HB VAL 35 7.226 -10.022 2.576 257 HG11 VAL 35 1HG1 VAL 35 5.458 -8.562 3.504 258 HG12 VAL 35 2HG1 VAL 35 6.906 -8.422 4.497 259 HG13 VAL 35 3HG1 VAL 35 5.549 -9.388 5.063 260 HG21 VAL 35 3HG2 VAL 35 8.458 -10.266 4.806 261 HG22 VAL 35 1HG2 VAL 35 8.277 -11.784 3.929 262 HG23 VAL 35 2HG2 VAL 35 7.236 -11.424 5.307 263 HA PRO 36 HA PRO 36 2.839 -10.572 0.133 264 HB2 PRO 36 1HB PRO 36 0.376 -11.507 0.713 265 HB3 PRO 36 2HB PRO 36 1.694 -12.645 0.338 266 HG2 PRO 36 1HG PRO 36 0.709 -11.770 3.053 267 HG3 PRO 36 2HG PRO 36 0.949 -13.426 2.452 268 HD2 PRO 36 1HD PRO 36 2.859 -12.149 3.951 269 HD3 PRO 36 2HD PRO 36 3.314 -13.298 2.673 270 H VAL 37 H VAL 37 1.248 -8.971 -0.286 271 HA VAL 37 HA VAL 37 0.586 -7.175 2.020 272 HB VAL 37 HB VAL 37 1.353 -6.319 -0.806 273 HG11 VAL 37 1HG1 VAL 37 -0.181 -4.730 0.322 274 HG12 VAL 37 2HG1 VAL 37 1.432 -4.040 0.224 275 HG13 VAL 37 3HG1 VAL 37 0.854 -4.719 1.747 276 HG21 VAL 37 3HG2 VAL 37 3.444 -5.498 0.244 277 HG22 VAL 37 1HG2 VAL 37 3.303 -7.247 0.409 278 HG23 VAL 37 2HG2 VAL 37 2.947 -6.202 1.787 279 H ALA 38 H ALA 38 -1.456 -6.510 2.140 280 HA ALA 38 HA ALA 38 -3.331 -7.005 -0.142 281 HB1 ALA 38 3HB ALA 38 -3.608 -8.706 1.651 282 HB2 ALA 38 1HB ALA 38 -5.019 -7.652 1.530 283 HB3 ALA 38 2HB ALA 38 -3.850 -7.421 2.836 284 H VAL 39 H VAL 39 -3.956 -5.062 -0.838 285 HA VAL 39 HA VAL 39 -4.360 -2.818 1.067 286 HB VAL 39 HB VAL 39 -4.309 -1.466 -1.113 287 HG11 VAL 39 1HG1 VAL 39 -2.347 -1.583 0.413 288 HG12 VAL 39 2HG1 VAL 39 -1.838 -1.486 -1.268 289 HG13 VAL 39 3HG1 VAL 39 -1.795 -3.030 -0.420 290 HG21 VAL 39 3HG2 VAL 39 -4.761 -3.363 -2.651 291 HG22 VAL 39 1HG2 VAL 39 -3.181 -4.035 -2.255 292 HG23 VAL 39 2HG2 VAL 39 -3.298 -2.483 -3.071 293 H TYR 40 H TYR 40 -6.286 -1.857 1.221 294 HA TYR 40 HA TYR 40 -8.510 -2.584 -0.590 295 HB2 TYR 40 1HB TYR 40 -9.960 -3.104 1.410 296 HB3 TYR 40 2HB TYR 40 -8.677 -4.283 1.143 297 HD1 TYR 40 HD1 TYR 40 -6.687 -4.392 2.638 298 HD2 TYR 40 HD2 TYR 40 -9.842 -1.532 3.342 299 HE1 TYR 40 HE1 TYR 40 -5.795 -3.953 4.907 300 HE2 TYR 40 HE2 TYR 40 -8.933 -1.104 5.608 301 HH TYR 40 HH TYR 40 -6.328 -1.424 6.634 302 H LEU 41 H LEU 41 -9.719 -0.888 -1.036 303 HA LEU 41 HA LEU 41 -9.173 1.681 0.269 304 HB2 LEU 41 1HB LEU 41 -9.482 1.363 -2.244 305 HB3 LEU 41 2HB LEU 41 -11.190 1.097 -1.941 306 HG LEU 41 HG LEU 41 -10.875 3.481 -0.560 307 HD11 LEU 41 1HD1 LEU 41 -9.361 4.983 -1.734 308 HD12 LEU 41 2HD1 LEU 41 -8.873 3.699 -2.842 309 HD13 LEU 41 3HD1 LEU 41 -8.450 3.600 -1.136 310 HD21 LEU 41 3HD2 LEU 41 -11.299 3.250 -3.556 311 HD22 LEU 41 1HD2 LEU 41 -11.705 4.669 -2.592 312 HD23 LEU 41 2HD2 LEU 41 -12.546 3.143 -2.323 313 H GLY 42 H GLY 42 -10.359 2.493 1.894 314 HA2 GLY 42 1HA GLY 42 -12.654 3.133 2.605 315 HA3 GLY 42 2HA GLY 42 -13.109 1.441 2.460 316 H ASN 43 H ASN 43 -13.756 1.630 4.681 317 HA ASN 43 HA ASN 43 -11.628 1.913 6.689 318 HB2 ASN 43 1HB ASN 43 -13.583 1.762 8.300 319 HB3 ASN 43 2HB ASN 43 -13.654 3.115 7.174 320 HD21 ASN 43 2HD2 ASN 43 -15.853 3.368 6.708 321 HD22 ASN 43 1HD2 ASN 43 -16.881 2.111 6.213 322 HA PRO 44 HA PRO 44 -11.278 -2.543 7.087 323 HB2 PRO 44 1HB PRO 44 -10.199 -2.837 9.572 324 HB3 PRO 44 2HB PRO 44 -9.288 -2.067 8.253 325 HG2 PRO 44 1HG PRO 44 -10.908 -0.718 10.422 326 HG3 PRO 44 2HG PRO 44 -9.222 -0.397 9.946 327 HD2 PRO 44 1HD PRO 44 -11.244 1.149 8.972 328 HD3 PRO 44 2HD PRO 44 -9.869 0.705 7.926 329 H ALA 45 H ALA 45 -13.386 -0.659 9.007 330 HA ALA 45 HA ALA 45 -14.501 -2.533 10.777 331 HB1 ALA 45 3HB ALA 45 -16.485 -1.055 10.783 332 HB2 ALA 45 1HB ALA 45 -15.888 -0.244 9.331 333 HB3 ALA 45 2HB ALA 45 -14.997 -0.108 10.847 334 H GLN 46 H GLN 46 -15.342 -1.782 7.406 335 HA GLN 46 HA GLN 46 -17.425 -3.830 7.280 336 HB2 GLN 46 1HB GLN 46 -16.143 -2.090 5.137 337 HB3 GLN 46 2HB GLN 46 -17.531 -3.152 4.875 338 HG2 GLN 46 1HG GLN 46 -18.822 -1.883 6.580 339 HG3 GLN 46 2HG GLN 46 -17.442 -0.816 6.829 340 HE21 GLN 46 2HE2 GLN 46 -20.343 -1.022 5.157 341 HE22 GLN 46 1HE2 GLN 46 -19.998 0.060 3.895 342 H GLY 47 H GLY 47 -14.225 -4.146 7.555 343 HA2 GLY 47 1HA GLY 47 -12.877 -5.998 7.233 344 HA3 GLY 47 2HA GLY 47 -14.139 -6.751 6.263 345 H GLY 48 H GLY 48 -14.006 -3.855 4.918 346 HA2 GLY 48 1HA GLY 48 -13.148 -3.027 2.943 347 HA3 GLY 48 2HA GLY 48 -11.591 -3.599 3.529 348 H VAL 49 H VAL 49 -11.750 -3.732 0.921 349 HA VAL 49 HA VAL 49 -12.185 -6.621 0.279 350 HB VAL 49 HB VAL 49 -14.060 -5.279 -0.630 351 HG11 VAL 49 1HG1 VAL 49 -13.714 -3.576 -2.349 352 HG12 VAL 49 2HG1 VAL 49 -11.972 -3.809 -2.301 353 HG13 VAL 49 3HG1 VAL 49 -12.806 -3.118 -0.908 354 HG21 VAL 49 3HG2 VAL 49 -13.232 -7.289 -1.871 355 HG22 VAL 49 1HG2 VAL 49 -12.171 -6.250 -2.825 356 HG23 VAL 49 2HG2 VAL 49 -13.919 -6.081 -2.955 357 H GLU 50 H GLU 50 -10.560 -7.572 -0.781 358 HA GLU 50 HA GLU 50 -8.045 -6.211 -1.042 359 HB2 GLU 50 1HB GLU 50 -8.303 -8.643 -0.482 360 HB3 GLU 50 2HB GLU 50 -8.850 -8.949 -2.129 361 HG2 GLU 50 1HG GLU 50 -6.677 -8.112 -3.007 362 HG3 GLU 50 2HG GLU 50 -6.137 -7.778 -1.364 363 H ILE 51 H ILE 51 -7.175 -5.235 -2.774 364 HA ILE 51 HA ILE 51 -8.704 -5.170 -5.340 365 HB ILE 51 HB ILE 51 -6.591 -3.237 -4.299 366 HG12 ILE 51 1HG1 ILE 51 -9.627 -2.902 -4.429 367 HG13 ILE 51 2HG1 ILE 51 -8.753 -3.281 -2.953 368 HG21 ILE 51 1HG2 ILE 51 -7.449 -1.783 -6.153 369 HG22 ILE 51 2HG2 ILE 51 -8.498 -3.089 -6.676 370 HG23 ILE 51 3HG2 ILE 51 -6.748 -3.265 -6.778 371 HD11 ILE 51 3HD1 ILE 51 -8.406 -0.774 -4.619 372 HD12 ILE 51 1HD1 ILE 51 -7.455 -1.177 -3.186 373 HD13 ILE 51 2HD1 ILE 51 -9.189 -0.902 -3.049 374 H GLY 52 H GLY 52 -5.449 -5.541 -3.973 375 HA2 GLY 52 1HA GLY 52 -4.673 -7.414 -6.008 376 HA3 GLY 52 2HA GLY 52 -3.952 -5.831 -6.284 377 H ARG 53 H ARG 53 -2.563 -8.260 -5.668 378 HA ARG 53 HA ARG 53 -1.035 -7.345 -3.316 379 HB2 ARG 53 1HB ARG 53 -1.074 -9.647 -2.322 380 HB3 ARG 53 2HB ARG 53 -2.662 -8.879 -2.313 381 HG2 ARG 53 1HG ARG 53 -3.297 -10.139 -4.356 382 HG3 ARG 53 2HG ARG 53 -1.714 -10.912 -4.377 383 HD2 ARG 53 1HD ARG 53 -3.730 -11.147 -2.116 384 HD3 ARG 53 2HD ARG 53 -3.443 -12.378 -3.344 385 HE ARG 53 HE ARG 53 -1.819 -11.850 -1.027 386 HH11 ARG 53 1HH2 ARG 53 -1.723 -12.944 -4.329 387 HH12 ARG 53 2HH2 ARG 53 -0.263 -13.853 -4.117 388 HH21 ARG 53 1HH1 ARG 53 0.085 -13.040 -0.769 389 HH22 ARG 53 2HH1 ARG 53 0.756 -13.906 -2.110 390 H ASP 54 H ASP 54 1.004 -8.447 -3.106 391 HA ASP 54 HA ASP 54 1.996 -10.093 -5.288 392 HB2 ASP 54 1HB ASP 54 2.014 -7.809 -6.294 393 HB3 ASP 54 2HB ASP 54 3.045 -7.245 -4.984 394 H THR 55 H THR 55 3.143 -11.522 -4.143 395 HA THR 55 HA THR 55 4.456 -10.804 -1.638 396 HB THR 55 HB THR 55 4.522 -13.464 -3.132 397 HG1 THR 55 HG1 THR 55 2.476 -13.364 -2.657 398 HG21 THR 55 3HG2 THR 55 5.005 -12.753 -0.207 399 HG22 THR 55 1HG2 THR 55 6.248 -13.248 -1.357 400 HG23 THR 55 2HG2 THR 55 4.994 -14.387 -0.870 401 H ILE 56 H ILE 56 6.612 -10.603 -1.292 402 HA ILE 56 HA ILE 56 8.266 -10.035 -3.613 403 HB ILE 56 HB ILE 56 9.124 -10.061 -0.680 404 HG12 ILE 56 1HG1 ILE 56 7.122 -8.637 -0.854 405 HG13 ILE 56 2HG1 ILE 56 8.548 -7.635 -0.647 406 HG21 ILE 56 1HG2 ILE 56 10.759 -8.346 -1.521 407 HG22 ILE 56 2HG2 ILE 56 10.188 -8.618 -3.151 408 HG23 ILE 56 3HG2 ILE 56 10.986 -9.919 -2.268 409 HD11 ILE 56 3HD1 ILE 56 8.516 -7.394 -3.246 410 HD12 ILE 56 1HD1 ILE 56 7.307 -6.529 -2.302 411 HD13 ILE 56 2HD1 ILE 56 6.879 -8.030 -3.124 412 H SER 57 H SER 57 10.168 -11.141 -4.194 413 HA SER 57 HA SER 57 10.131 -13.979 -3.934 414 HB2 SER 57 1HB SER 57 11.141 -12.837 -5.868 415 HB3 SER 57 2HB SER 57 12.379 -12.143 -4.826 416 HG SER 57 HG SER 57 12.362 -14.511 -6.005 417 H ARG 58 H ARG 58 12.181 -11.474 -2.466 418 HA ARG 58 HA ARG 58 12.548 -12.980 -0.044 419 HB2 ARG 58 1HB ARG 58 15.014 -13.309 -0.280 420 HB3 ARG 58 2HB ARG 58 14.092 -14.265 -1.439 421 HG2 ARG 58 1HG ARG 58 14.502 -12.529 -3.184 422 HG3 ARG 58 2HG ARG 58 15.469 -11.614 -2.032 423 HD2 ARG 58 1HD ARG 58 17.044 -13.506 -1.832 424 HD3 ARG 58 2HD ARG 58 16.075 -14.433 -2.982 425 HE ARG 58 HE ARG 58 16.744 -11.952 -4.157 426 HH11 ARG 58 1HH2 ARG 58 18.245 -14.923 -3.136 427 HH12 ARG 58 2HH2 ARG 58 19.518 -14.827 -4.306 428 HH21 ARG 58 1HH1 ARG 58 18.405 -11.845 -5.675 429 HH22 ARG 58 2HH1 ARG 58 19.608 -13.089 -5.740 430 H ILE 59 H ILE 59 13.102 -11.653 1.594 431 HA ILE 59 HA ILE 59 13.927 -8.871 0.933 432 HB ILE 59 HB ILE 59 12.199 -9.728 3.279 433 HG12 ILE 59 1HG1 ILE 59 11.407 -8.221 0.742 434 HG13 ILE 59 2HG1 ILE 59 11.098 -9.937 0.964 435 HG21 ILE 59 1HG2 ILE 59 11.833 -7.172 3.409 436 HG22 ILE 59 2HG2 ILE 59 13.128 -6.987 2.249 437 HG23 ILE 59 3HG2 ILE 59 13.458 -7.693 3.828 438 HD11 ILE 59 3HD1 ILE 59 9.746 -9.404 2.966 439 HD12 ILE 59 1HD1 ILE 59 9.098 -8.662 1.516 440 HD13 ILE 59 2HD1 ILE 59 9.999 -7.688 2.673 441 HA PRO 60 HA PRO 60 17.365 -10.218 3.618 442 HB2 PRO 60 1HB PRO 60 19.100 -8.158 3.258 443 HB3 PRO 60 2HB PRO 60 18.757 -9.302 1.937 444 HG2 PRO 60 1HG PRO 60 17.540 -6.581 2.414 445 HG3 PRO 60 2HG PRO 60 18.250 -7.228 0.916 446 HD2 PRO 60 1HD PRO 60 15.543 -7.265 1.360 447 HD3 PRO 60 2HD PRO 60 16.341 -8.565 0.435 448 H VAL 61 H VAL 61 18.393 -9.464 5.614 449 HA VAL 61 HA VAL 61 16.522 -8.249 7.402 450 HB VAL 61 HB VAL 61 18.129 -10.000 8.081 451 HG11 VAL 61 1HG1 VAL 61 20.508 -9.523 8.386 452 HG12 VAL 61 2HG1 VAL 61 20.296 -7.866 7.833 453 HG13 VAL 61 3HG1 VAL 61 20.074 -9.207 6.707 454 HG21 VAL 61 3HG2 VAL 61 17.177 -8.456 9.797 455 HG22 VAL 61 1HG2 VAL 61 18.572 -7.390 9.604 456 HG23 VAL 61 2HG2 VAL 61 18.786 -9.016 10.244 457 H GLY 62 H GLY 62 16.410 -6.194 8.203 458 HA2 GLY 62 1HA GLY 62 16.842 -3.962 8.510 459 HA3 GLY 62 2HA GLY 62 18.502 -4.240 7.988 460 H GLY 63 H GLY 63 16.074 -5.394 5.877 461 HA2 GLY 63 1HA GLY 63 16.488 -3.131 3.971 462 HA3 GLY 63 2HA GLY 63 16.212 -4.813 3.538 463 H THR 64 H THR 64 14.546 -3.631 2.220 464 HA THR 64 HA THR 64 11.945 -3.697 3.636 465 HB THR 64 HB THR 64 11.210 -1.625 2.605 466 HG1 THR 64 HG1 THR 64 13.771 -1.648 1.380 467 HG21 THR 64 3HG2 THR 64 12.595 -1.438 4.726 468 HG22 THR 64 1HG2 THR 64 12.659 -0.001 3.707 469 HG23 THR 64 2HG2 THR 64 14.004 -1.134 3.707 470 H GLY 65 H GLY 65 10.283 -3.086 1.658 471 HA2 GLY 65 1HA GLY 65 10.910 -4.798 -0.689 472 HA3 GLY 65 2HA GLY 65 9.495 -5.147 0.306 473 H LEU 66 H LEU 66 9.783 -4.271 -2.516 474 HA LEU 66 HA LEU 66 8.007 -1.877 -2.381 475 HB2 LEU 66 1HB LEU 66 10.520 -1.733 -3.402 476 HB3 LEU 66 2HB LEU 66 9.711 -2.317 -4.842 477 HG LEU 66 HG LEU 66 9.770 0.118 -4.916 478 HD11 LEU 66 1HD1 LEU 66 7.437 0.650 -5.227 479 HD12 LEU 66 2HD1 LEU 66 6.926 -0.656 -4.165 480 HD13 LEU 66 3HD1 LEU 66 7.675 -1.025 -5.719 481 HD21 LEU 66 3HD2 LEU 66 8.076 0.542 -2.438 482 HD22 LEU 66 1HD2 LEU 66 9.263 1.594 -3.200 483 HD23 LEU 66 2HD2 LEU 66 9.797 0.251 -2.205 484 H ALA 67 H ALA 67 6.035 -2.425 -2.884 485 HA ALA 67 HA ALA 67 5.512 -4.586 -4.879 486 HB1 ALA 67 3HB ALA 67 3.291 -4.723 -3.802 487 HB2 ALA 67 1HB ALA 67 3.735 -3.413 -2.703 488 HB3 ALA 67 2HB ALA 67 4.578 -4.957 -2.616 489 H ARG 68 H ARG 68 3.914 -4.236 -6.441 490 HA ARG 68 HA ARG 68 3.205 -1.366 -6.991 491 HB2 ARG 68 1HB ARG 68 5.032 -2.221 -8.489 492 HB3 ARG 68 2HB ARG 68 3.936 -3.470 -9.074 493 HG2 ARG 68 1HG ARG 68 2.359 -1.696 -9.865 494 HG3 ARG 68 2HG ARG 68 3.477 -0.462 -9.290 495 HD2 ARG 68 1HD ARG 68 4.105 -2.541 -11.419 496 HD3 ARG 68 2HD ARG 68 3.709 -0.855 -11.737 497 HE ARG 68 HE ARG 68 6.249 -1.888 -10.866 498 HH11 ARG 68 1HH2 ARG 68 4.143 0.878 -10.699 499 HH12 ARG 68 2HH2 ARG 68 5.429 1.993 -10.377 500 HH21 ARG 68 1HH1 ARG 68 7.909 -0.419 -10.448 501 HH22 ARG 68 2HH1 ARG 68 7.551 1.262 -10.235 502 H VAL 69 H VAL 69 1.108 -1.068 -6.978 503 HA VAL 69 HA VAL 69 -0.711 -3.174 -8.030 504 HB VAL 69 HB VAL 69 -1.208 -1.609 -5.454 505 HG11 VAL 69 1HG1 VAL 69 -3.315 -2.106 -6.598 506 HG12 VAL 69 2HG1 VAL 69 -3.157 -3.256 -5.282 507 HG13 VAL 69 3HG1 VAL 69 -2.808 -3.760 -6.924 508 HG21 VAL 69 3HG2 VAL 69 -0.486 -4.542 -5.871 509 HG22 VAL 69 1HG2 VAL 69 -0.964 -3.821 -4.333 510 HG23 VAL 69 2HG2 VAL 69 0.535 -3.321 -5.109 511 H GLN 70 H GLN 70 -2.141 -2.410 -9.408 512 HA GLN 70 HA GLN 70 -2.493 0.552 -9.702 513 HB2 GLN 70 1HB GLN 70 -2.788 -1.701 -11.728 514 HB3 GLN 70 2HB GLN 70 -3.098 0.007 -12.053 515 HG2 GLN 70 1HG GLN 70 -0.735 0.539 -11.467 516 HG3 GLN 70 2HG GLN 70 -0.427 -1.172 -11.175 517 HE21 GLN 70 2HE2 GLN 70 0.673 0.756 -13.291 518 HE22 GLN 70 1HE2 GLN 70 0.390 -0.037 -14.765 519 H TRP 71 H TRP 71 -4.486 1.404 -9.644 520 HA TRP 71 HA TRP 71 -6.872 -0.365 -9.594 521 HB2 TRP 71 1HB TRP 71 -6.247 0.050 -7.230 522 HB3 TRP 71 2HB TRP 71 -6.255 1.782 -7.520 523 HD1 TRP 71 HD1 TRP 71 -8.761 -1.122 -8.164 524 HE1 TRP 71 HE1 TRP 71 -11.126 -0.286 -7.566 525 HE3 TRP 71 HE3 TRP 71 -7.667 3.637 -6.687 526 HZ2 TRP 71 HZ2 TRP 71 -12.384 2.084 -6.590 527 HZ3 TRP 71 HZ3 TRP 71 -9.464 5.168 -5.932 528 HH2 TRP 71 HH2 TRP 71 -11.822 4.397 -5.879 529 H LYS 72 H LYS 72 -8.508 0.416 -10.707 530 HA LYS 72 HA LYS 72 -8.227 2.999 -12.088 531 HB2 LYS 72 1HB LYS 72 -8.899 0.901 -13.265 532 HB3 LYS 72 2HB LYS 72 -10.396 0.868 -12.346 533 HG2 LYS 72 1HG LYS 72 -10.995 3.108 -13.268 534 HG3 LYS 72 2HG LYS 72 -9.511 3.115 -14.210 535 HD2 LYS 72 1HD LYS 72 -11.735 1.041 -14.482 536 HD3 LYS 72 2HD LYS 72 -11.527 2.429 -15.542 537 HE2 LYS 72 1HE LYS 72 -9.149 1.509 -16.041 538 HE3 LYS 72 2HE LYS 72 -9.707 0.005 -15.301 539 HZ1 LYS 72 3HZ LYS 72 -11.503 -0.093 -16.859 540 HZ2 LYS 72 1HZ LYS 72 -10.036 0.056 -17.698 541 HZ3 LYS 72 2HZ LYS 72 -11.061 1.401 -17.535 542 H ALA 73 H ALA 73 -9.088 4.798 -11.245 543 HA ALA 73 HA ALA 73 -10.821 4.784 -8.948 544 HB1 ALA 73 3HB ALA 73 -9.252 6.631 -9.373 545 HB2 ALA 73 1HB ALA 73 -10.906 7.245 -9.309 546 HB3 ALA 73 2HB ALA 73 -10.097 7.033 -10.862 547 H THR 74 H THR 74 -12.967 4.455 -8.946 548 HA THR 74 HA THR 74 -14.765 5.622 -10.858 549 HB THR 74 HB THR 74 -13.920 3.770 -12.260 550 HG1 THR 74 HG1 THR 74 -15.906 3.850 -12.868 551 HG21 THR 74 3HG2 THR 74 -14.215 1.431 -11.631 552 HG22 THR 74 1HG2 THR 74 -15.000 1.889 -10.123 553 HG23 THR 74 2HG2 THR 74 -13.287 2.226 -10.360 554 H ARG 75 H ARG 75 -16.948 4.013 -10.580 555 HA ARG 75 HA ARG 75 -18.709 3.625 -9.197 556 HB2 ARG 75 1HB ARG 75 -17.053 1.785 -8.490 557 HB3 ARG 75 2HB ARG 75 -16.654 2.790 -7.101 558 HG2 ARG 75 1HG ARG 75 -19.108 2.760 -6.456 559 HG3 ARG 75 2HG ARG 75 -19.407 1.659 -7.795 560 HD2 ARG 75 1HD ARG 75 -17.525 1.123 -5.463 561 HD3 ARG 75 2HD ARG 75 -19.136 0.430 -5.655 562 HE ARG 75 HE ARG 75 -17.676 -0.161 -7.979 563 HH11 ARG 75 1HH2 ARG 75 -17.647 -0.892 -4.578 564 HH12 ARG 75 2HH2 ARG 75 -16.907 -2.445 -4.786 565 HH21 ARG 75 1HH1 ARG 75 -16.705 -2.188 -8.236 566 HH22 ARG 75 2HH1 ARG 75 -16.375 -3.174 -6.851 567 H LYS 76 H LYS 76 -18.140 6.231 -9.331 568 HA LYS 76 HA LYS 76 -19.158 7.273 -6.864 569 HB2 LYS 76 1HB LYS 76 -16.700 6.977 -6.297 570 HB3 LYS 76 2HB LYS 76 -16.306 8.116 -7.576 571 HG2 LYS 76 1HG LYS 76 -17.648 9.860 -6.436 572 HG3 LYS 76 2HG LYS 76 -18.087 8.717 -5.174 573 HD2 LYS 76 1HD LYS 76 -15.689 8.485 -4.556 574 HD3 LYS 76 2HD LYS 76 -15.257 9.648 -5.809 575 HE2 LYS 76 1HE LYS 76 -16.622 11.381 -4.678 576 HE3 LYS 76 2HE LYS 76 -17.066 10.216 -3.428 577 HZ1 LYS 76 3HZ LYS 76 -15.172 10.592 -2.378 578 HZ2 LYS 76 1HZ LYS 76 -14.839 11.842 -3.474 579 HZ3 LYS 76 2HZ LYS 76 -14.258 10.275 -3.774 580 H LEU 77 H LEU 77 -20.729 8.047 -8.299 581 HA LEU 77 HA LEU 77 -20.170 9.684 -10.572 582 HB2 LEU 77 1HB LEU 77 -22.707 9.542 -8.891 583 HB3 LEU 77 2HB LEU 77 -22.571 10.242 -10.498 584 HG LEU 77 HG LEU 77 -21.516 7.631 -10.897 585 HD11 LEU 77 1HD1 LEU 77 -23.083 6.053 -9.883 586 HD12 LEU 77 2HD1 LEU 77 -23.928 7.369 -9.062 587 HD13 LEU 77 3HD1 LEU 77 -22.271 6.974 -8.617 588 HD21 LEU 77 3HD2 LEU 77 -23.640 7.138 -12.078 589 HD22 LEU 77 1HD2 LEU 77 -23.086 8.776 -12.427 590 HD23 LEU 77 2HD2 LEU 77 -24.404 8.519 -11.285 591 H ALA 78 H ALA 78 -20.612 10.314 -7.160 592 HA ALA 78 HA ALA 78 -20.460 12.214 -5.883 593 HB1 ALA 78 3HB ALA 78 -18.145 12.212 -6.771 594 HB2 ALA 78 1HB ALA 78 -18.732 13.855 -6.548 595 HB3 ALA 78 2HB ALA 78 -18.670 13.148 -8.161 596 H GLY 79 H GLY 79 -22.789 12.511 -6.441 597 HA2 GLY 79 1HA GLY 79 -23.692 14.260 -8.474 598 HA3 GLY 79 2HA GLY 79 -24.571 13.836 -7.009 599 H ARG 80 H ARG 80 -22.206 16.041 -8.386 600 HA ARG 80 HA ARG 80 -21.467 18.127 -7.752 601 HB2 ARG 80 1HB ARG 80 -24.273 18.246 -6.589 602 HB3 ARG 80 2HB ARG 80 -23.240 19.644 -6.900 603 HG2 ARG 80 1HG ARG 80 -23.205 19.103 -9.316 604 HG3 ARG 80 2HG ARG 80 -24.205 17.677 -9.023 605 HD2 ARG 80 1HD ARG 80 -25.603 19.546 -9.810 606 HD3 ARG 80 2HD ARG 80 -26.017 19.139 -8.142 607 HE ARG 80 HE ARG 80 -24.006 21.153 -8.189 608 HH11 ARG 80 1HH2 ARG 80 -27.390 20.659 -8.815 609 HH12 ARG 80 2HH2 ARG 80 -27.823 22.300 -8.467 610 HH21 ARG 80 1HH1 ARG 80 -24.583 23.285 -7.734 611 HH22 ARG 80 2HH1 ARG 80 -26.237 23.784 -7.857 612 H ALA 81 H ALA 81 -19.854 17.438 -6.301 613 HA ALA 81 HA ALA 81 -20.155 18.362 -3.591 614 HB1 ALA 81 3HB ALA 81 -21.274 16.161 -3.376 615 HB2 ALA 81 1HB ALA 81 -19.756 16.186 -2.476 616 HB3 ALA 81 2HB ALA 81 -19.848 15.363 -4.036 617 H ALA 82 H ALA 82 -18.298 19.534 -3.789 618 HA ALA 82 HA ALA 82 -15.929 18.689 -5.098 619 HB1 ALA 82 3HB ALA 82 -16.450 21.063 -4.629 620 HB2 ALA 82 1HB ALA 82 -14.882 20.617 -3.956 621 HB3 ALA 82 2HB ALA 82 -16.290 20.765 -2.900 622 H ASN 83 H ASN 83 -13.849 19.051 -3.410 623 HA ASN 83 HA ASN 83 -12.444 17.646 -2.181 624 HB2 ASN 83 1HB ASN 83 -13.107 17.589 0.233 625 HB3 ASN 83 2HB ASN 83 -13.259 19.193 -0.478 626 HD21 ASN 83 2HD2 ASN 83 -15.061 16.532 0.948 627 HD22 ASN 83 1HD2 ASN 83 -16.574 17.302 0.914 628 HA PRO 84 HA PRO 84 -15.024 13.810 -3.228 629 HB2 PRO 84 1HB PRO 84 -12.166 13.065 -3.981 630 HB3 PRO 84 2HB PRO 84 -13.683 12.602 -4.799 631 HG2 PRO 84 1HG PRO 84 -12.250 14.532 -5.855 632 HG3 PRO 84 2HG PRO 84 -14.000 14.804 -5.650 633 HD2 PRO 84 1HD PRO 84 -11.737 15.835 -3.891 634 HD3 PRO 84 2HD PRO 84 -13.164 16.714 -4.498 635 H GLY 85 H GLY 85 -11.807 13.945 -1.727 636 HA2 GLY 85 1HA GLY 85 -10.968 12.972 0.195 637 HA3 GLY 85 2HA GLY 85 -12.634 12.776 0.733 638 H VAL 86 H VAL 86 -10.079 11.366 -1.238 639 HA VAL 86 HA VAL 86 -11.343 8.661 -1.022 640 HB VAL 86 HB VAL 86 -9.436 9.678 -3.158 641 HG11 VAL 86 1HG1 VAL 86 -10.083 7.546 -4.311 642 HG12 VAL 86 2HG1 VAL 86 -11.012 7.075 -2.889 643 HG13 VAL 86 3HG1 VAL 86 -9.261 7.231 -2.787 644 HG21 VAL 86 3HG2 VAL 86 -12.447 9.175 -3.245 645 HG22 VAL 86 1HG2 VAL 86 -11.445 9.600 -4.633 646 HG23 VAL 86 2HG2 VAL 86 -11.665 10.753 -3.322 647 HA PRO 87 HA PRO 87 -7.292 8.569 1.294 648 HB2 PRO 87 1HB PRO 87 -8.103 7.321 3.576 649 HB3 PRO 87 2HB PRO 87 -8.438 9.050 3.309 650 HG2 PRO 87 1HG PRO 87 -10.272 6.698 2.858 651 HG3 PRO 87 2HG PRO 87 -10.610 8.217 3.717 652 HD2 PRO 87 1HD PRO 87 -11.355 7.808 1.107 653 HD3 PRO 87 2HD PRO 87 -10.913 9.424 1.701 654 H VAL 88 H VAL 88 -5.952 6.743 1.824 655 HA VAL 88 HA VAL 88 -6.826 4.129 0.657 656 HB VAL 88 HB VAL 88 -4.476 3.874 -0.135 657 HG11 VAL 88 1HG1 VAL 88 -5.857 6.401 -1.140 658 HG12 VAL 88 2HG1 VAL 88 -6.211 4.758 -1.673 659 HG13 VAL 88 3HG1 VAL 88 -4.641 5.475 -2.022 660 HG21 VAL 88 3HG2 VAL 88 -2.998 5.881 -0.174 661 HG22 VAL 88 1HG2 VAL 88 -3.362 5.402 1.479 662 HG23 VAL 88 2HG2 VAL 88 -4.190 6.781 0.760 663 H TYR 89 H TYR 89 -5.756 2.284 1.485 664 HA TYR 89 HA TYR 89 -4.385 2.541 4.094 665 HB2 TYR 89 1HB TYR 89 -6.965 0.978 3.648 666 HB3 TYR 89 2HB TYR 89 -5.944 0.820 5.079 667 HD1 TYR 89 HD1 TYR 89 -5.698 2.709 6.695 668 HD2 TYR 89 HD2 TYR 89 -8.340 3.025 3.301 669 HE1 TYR 89 HE1 TYR 89 -6.770 4.699 7.707 670 HE2 TYR 89 HE2 TYR 89 -9.404 5.006 4.339 671 HH TYR 89 HH TYR 89 -9.193 5.818 7.450 672 H ALA 90 H ALA 90 -3.160 0.792 4.644 673 HA ALA 90 HA ALA 90 -3.022 -1.546 2.849 674 HB1 ALA 90 3HB ALA 90 -0.645 -1.213 2.389 675 HB2 ALA 90 1HB ALA 90 -0.616 0.257 3.369 676 HB3 ALA 90 2HB ALA 90 -1.529 0.222 1.866 677 H VAL 91 H VAL 91 -2.452 -3.341 3.932 678 HA VAL 91 HA VAL 91 -1.146 -3.138 6.595 679 HB VAL 91 HB VAL 91 -3.634 -4.824 6.038 680 HG11 VAL 91 1HG1 VAL 91 -3.565 -5.201 8.512 681 HG12 VAL 91 2HG1 VAL 91 -2.055 -4.297 8.597 682 HG13 VAL 91 3HG1 VAL 91 -2.118 -5.829 7.727 683 HG21 VAL 91 3HG2 VAL 91 -4.251 -2.443 6.145 684 HG22 VAL 91 1HG2 VAL 91 -3.302 -2.232 7.619 685 HG23 VAL 91 2HG2 VAL 91 -4.753 -3.236 7.635 686 H VAL 92 H VAL 92 0.143 -4.817 7.112 687 HA VAL 92 HA VAL 92 0.896 -6.654 4.921 688 HB VAL 92 HB VAL 92 2.924 -7.028 6.309 689 HG11 VAL 92 1HG1 VAL 92 2.230 -4.091 5.855 690 HG12 VAL 92 2HG1 VAL 92 2.902 -5.192 4.651 691 HG13 VAL 92 3HG1 VAL 92 3.861 -4.733 6.055 692 HG21 VAL 92 3HG2 VAL 92 1.967 -6.692 8.570 693 HG22 VAL 92 1HG2 VAL 92 1.639 -5.003 8.197 694 HG23 VAL 92 2HG2 VAL 92 3.298 -5.578 8.319 695 H ASP 93 H ASP 93 0.731 -8.824 5.074 696 HA ASP 93 HA ASP 93 -0.556 -10.009 7.512 697 HB2 ASP 93 1HB ASP 93 -2.047 -9.874 5.529 698 HB3 ASP 93 2HB ASP 93 -0.905 -10.851 4.624 699 HA PRO 94 HA PRO 94 3.442 -12.251 6.696 700 HB2 PRO 94 1HB PRO 94 4.607 -12.091 9.133 701 HB3 PRO 94 2HB PRO 94 4.572 -10.673 8.058 702 HG2 PRO 94 1HG PRO 94 2.755 -11.312 10.381 703 HG3 PRO 94 2HG PRO 94 3.569 -9.779 9.996 704 HD2 PRO 94 1HD PRO 94 0.925 -10.298 9.314 705 HD3 PRO 94 2HD PRO 94 1.946 -9.178 8.381 706 H ASP 95 H ASP 95 4.179 -14.325 7.523 707 HA ASP 95 HA ASP 95 1.966 -16.047 8.281 708 HB2 ASP 95 1HB ASP 95 3.698 -16.665 6.582 709 HB3 ASP 95 2HB ASP 95 4.904 -16.733 7.862 710 H ASN 96 H ASN 96 3.205 -14.003 10.184 711 HA ASN 96 HA ASN 96 3.334 -15.789 12.537 712 HB2 ASN 96 1HB ASN 96 5.693 -15.363 11.754 713 HB3 ASN 96 2HB ASN 96 5.428 -13.640 11.993 714 HD21 ASN 96 2HD2 ASN 96 5.460 -16.769 13.751 715 HD22 ASN 96 1HD2 ASN 96 5.829 -16.092 15.263 716 H ARG 97 H ARG 97 1.224 -14.183 11.650 717 HA ARG 97 HA ARG 97 1.062 -11.627 12.766 718 HB2 ARG 97 1HB ARG 97 -1.479 -12.195 12.892 719 HB3 ARG 97 2HB ARG 97 -0.711 -12.246 11.309 720 HG2 ARG 97 1HG ARG 97 -0.518 -14.689 11.404 721 HG3 ARG 97 2HG ARG 97 -1.144 -14.716 13.045 722 HD2 ARG 97 1HD ARG 97 -2.675 -13.694 10.636 723 HD3 ARG 97 2HD ARG 97 -2.884 -15.290 11.359 724 HE ARG 97 HE ARG 97 -3.189 -13.353 13.384 725 HH11 ARG 97 1HH2 ARG 97 -4.786 -14.490 10.509 726 HH12 ARG 97 2HH2 ARG 97 -6.366 -14.033 11.053 727 HH21 ARG 97 1HH1 ARG 97 -5.255 -12.764 14.081 728 HH22 ARG 97 2HH1 ARG 97 -6.631 -13.059 13.070 729 H VAL 98 H VAL 98 1.943 -11.408 14.809 730 HA VAL 98 HA VAL 98 1.595 -13.182 16.987 731 HB VAL 98 HB VAL 98 2.147 -10.185 17.031 732 HG11 VAL 98 1HG1 VAL 98 3.250 -10.696 19.235 733 HG12 VAL 98 2HG1 VAL 98 2.633 -12.344 19.130 734 HG13 VAL 98 3HG1 VAL 98 1.513 -10.988 19.275 735 HG21 VAL 98 3HG2 VAL 98 4.056 -12.561 16.962 736 HG22 VAL 98 1HG2 VAL 98 4.537 -10.871 17.122 737 HG23 VAL 98 2HG2 VAL 98 3.774 -11.430 15.636 738 H ALA 99 H ALA 99 -0.029 -10.051 16.344 739 HA ALA 99 HA ALA 99 -2.605 -10.986 17.186 740 HB1 ALA 99 3HB ALA 99 -1.112 -9.157 19.108 741 HB2 ALA 99 1HB ALA 99 -1.550 -10.833 19.423 742 HB3 ALA 99 2HB ALA 99 -2.812 -9.618 19.243 743 H GLU 100 H GLU 100 -3.964 -8.848 17.759 744 HA GLU 100 HA GLU 100 -4.020 -7.325 15.333 745 HB2 GLU 100 1HB GLU 100 -5.435 -6.864 17.988 746 HB3 GLU 100 2HB GLU 100 -5.823 -6.035 16.480 747 HG2 GLU 100 1HG GLU 100 -6.368 -8.211 15.420 748 HG3 GLU 100 2HG GLU 100 -5.981 -9.044 16.922 749 H SER 101 H SER 101 -3.576 -6.179 18.691 750 HA SER 101 HA SER 101 -2.732 -3.600 18.182 751 HB2 SER 101 1HB SER 101 -3.137 -4.462 20.454 752 HB3 SER 101 2HB SER 101 -1.690 -5.459 20.346 753 HG SER 101 HG SER 101 -1.715 -3.135 21.302 754 H ASP 102 H ASP 102 -0.683 -6.516 18.288 755 HA ASP 102 HA ASP 102 1.804 -5.251 17.802 756 HB2 ASP 102 1HB ASP 102 0.885 -8.050 17.044 757 HB3 ASP 102 2HB ASP 102 2.565 -7.511 17.126 758 H LYS 103 H LYS 103 0.032 -7.268 15.441 759 HA LYS 103 HA LYS 103 1.326 -6.515 13.127 760 HB2 LYS 103 1HB LYS 103 -0.452 -8.261 13.275 761 HB3 LYS 103 2HB LYS 103 -1.667 -6.991 13.370 762 HG2 LYS 103 1HG LYS 103 -1.040 -6.185 11.115 763 HG3 LYS 103 2HG LYS 103 0.266 -7.363 11.043 764 HD2 LYS 103 1HD LYS 103 -1.635 -8.198 9.753 765 HD3 LYS 103 2HD LYS 103 -1.420 -9.212 11.172 766 HE2 LYS 103 1HE LYS 103 -3.368 -8.282 12.242 767 HE3 LYS 103 2HE LYS 103 -3.394 -6.882 11.165 768 HZ1 LYS 103 3HZ LYS 103 -4.303 -8.074 9.483 769 HZ2 LYS 103 1HZ LYS 103 -4.966 -8.921 10.795 770 HZ3 LYS 103 2HZ LYS 103 -3.615 -9.546 9.976 771 H ALA 104 H ALA 104 -1.317 -4.771 14.725 772 HA ALA 104 HA ALA 104 -1.768 -2.743 12.812 773 HB1 ALA 104 3HB ALA 104 -1.963 -2.523 15.836 774 HB2 ALA 104 1HB ALA 104 -3.228 -3.140 14.777 775 HB3 ALA 104 2HB ALA 104 -2.735 -1.448 14.670 776 H ASN 105 H ASN 105 1.133 -3.418 14.136 777 HA ASN 105 HA ASN 105 2.094 -0.625 14.492 778 HB2 ASN 105 1HB ASN 105 3.588 -3.256 14.848 779 HB3 ASN 105 2HB ASN 105 4.203 -1.655 15.228 780 HD21 ASN 105 2HD2 ASN 105 3.992 -3.666 17.242 781 HD22 ASN 105 1HD2 ASN 105 2.806 -3.184 18.356 782 H ASN 106 H ASN 106 1.192 -1.605 11.880 783 HA ASN 106 HA ASN 106 3.472 -0.745 10.285 784 HB2 ASN 106 1HB ASN 106 2.402 -3.587 10.058 785 HB3 ASN 106 2HB ASN 106 3.442 -2.834 8.851 786 HD21 ASN 106 2HD2 ASN 106 3.503 -4.768 11.641 787 HD22 ASN 106 1HD2 ASN 106 5.139 -4.554 12.041 788 H VAL 107 H VAL 107 0.925 0.364 10.725 789 HA VAL 107 HA VAL 107 -0.498 -0.071 8.123 790 HB VAL 107 HB VAL 107 -1.871 -0.541 10.119 791 HG11 VAL 107 1HG1 VAL 107 -0.718 0.982 11.717 792 HG12 VAL 107 2HG1 VAL 107 -2.464 1.229 11.717 793 HG13 VAL 107 3HG1 VAL 107 -1.415 2.374 10.886 794 HG21 VAL 107 3HG2 VAL 107 -2.733 2.062 8.765 795 HG22 VAL 107 1HG2 VAL 107 -3.789 0.886 9.545 796 HG23 VAL 107 2HG2 VAL 107 -2.929 0.456 8.068 797 H PHE 108 H PHE 108 -0.991 1.674 6.861 798 HA PHE 108 HA PHE 108 -0.134 4.384 7.656 799 HB2 PHE 108 1HB PHE 108 0.933 2.991 5.159 800 HB3 PHE 108 2HB PHE 108 1.268 4.650 5.655 801 HD1 PHE 108 HD2 PHE 108 2.223 4.960 8.118 802 HD2 PHE 108 HD1 PHE 108 2.504 1.280 5.870 803 HE1 PHE 108 HE2 PHE 108 4.090 4.205 9.562 804 HE2 PHE 108 HE1 PHE 108 4.366 0.545 7.329 805 HZ PHE 108 HZ PHE 108 5.161 2.003 9.171 806 H SER 109 H SER 109 -0.990 6.017 6.345 807 HA SER 109 HA SER 109 -2.784 5.405 4.133 808 HB2 SER 109 1HB SER 109 -4.266 4.850 6.004 809 HB3 SER 109 2HB SER 109 -3.879 6.372 6.800 810 HG SER 109 HG SER 109 -4.849 7.465 5.088 811 H ARG 110 H ARG 110 -3.284 7.212 2.939 812 HA ARG 110 HA ARG 110 -2.322 9.868 3.902 813 HB2 ARG 110 1HB ARG 110 -0.561 8.775 2.496 814 HB3 ARG 110 2HB ARG 110 -1.710 8.677 1.162 815 HG2 ARG 110 1HG ARG 110 -1.931 11.170 1.186 816 HG3 ARG 110 2HG ARG 110 -0.783 11.250 2.516 817 HD2 ARG 110 1HD ARG 110 0.948 10.220 1.066 818 HD3 ARG 110 2HD ARG 110 -0.211 10.169 -0.263 819 HE ARG 110 HE ARG 110 -0.081 12.815 0.709 820 HH11 ARG 110 1HH2 ARG 110 1.895 10.490 -0.965 821 HH12 ARG 110 2HH2 ARG 110 2.812 11.691 -1.810 822 HH21 ARG 110 1HH1 ARG 110 1.124 14.368 -0.395 823 HH22 ARG 110 2HH1 ARG 110 2.377 13.882 -1.489 824 H ILE 111 H ILE 111 -3.723 11.434 3.539 825 HA ILE 111 HA ILE 111 -6.225 10.891 2.149 826 HB ILE 111 HB ILE 111 -5.156 13.319 3.660 827 HG12 ILE 111 1HG1 ILE 111 -6.951 12.722 5.292 828 HG13 ILE 111 2HG1 ILE 111 -7.407 11.354 4.289 829 HG21 ILE 111 1HG2 ILE 111 -6.655 14.259 1.972 830 HG22 ILE 111 2HG2 ILE 111 -7.571 14.194 3.471 831 HG23 ILE 111 3HG2 ILE 111 -7.834 12.971 2.227 832 HD11 ILE 111 3HD1 ILE 111 -5.853 10.982 6.356 833 HD12 ILE 111 1HD1 ILE 111 -4.564 11.568 5.306 834 HD13 ILE 111 2HD1 ILE 111 -5.501 10.136 4.856 835 H VAL 112 H VAL 112 -6.643 11.374 0.102 836 HA VAL 112 HA VAL 112 -4.976 13.376 -1.364 837 HB VAL 112 HB VAL 112 -5.864 10.672 -2.472 838 HG11 VAL 112 1HG1 VAL 112 -4.026 12.831 -3.601 839 HG12 VAL 112 2HG1 VAL 112 -5.650 12.470 -4.181 840 HG13 VAL 112 3HG1 VAL 112 -4.369 11.278 -4.366 841 HG21 VAL 112 3HG2 VAL 112 -3.453 10.072 -2.368 842 HG22 VAL 112 1HG2 VAL 112 -4.095 10.381 -0.758 843 HG23 VAL 112 2HG2 VAL 112 -3.107 11.602 -1.559 844 H LYS 113 H LYS 113 -6.065 14.688 -2.690 845 HA LYS 113 HA LYS 113 -8.986 14.225 -3.180 846 HB2 LYS 113 1HB LYS 113 -7.628 16.819 -2.340 847 HB3 LYS 113 2HB LYS 113 -9.326 16.655 -2.801 848 HG2 LYS 113 1HG LYS 113 -9.674 15.046 -0.930 849 HG3 LYS 113 2HG LYS 113 -7.983 15.242 -0.457 850 HD2 LYS 113 1HD LYS 113 -8.380 17.663 -0.048 851 HD3 LYS 113 2HD LYS 113 -10.068 17.463 -0.519 852 HE2 LYS 113 1HE LYS 113 -10.403 15.864 1.352 853 HE3 LYS 113 2HE LYS 113 -8.716 16.077 1.830 854 HZ1 LYS 113 3HZ LYS 113 -10.912 18.054 1.904 855 HZ2 LYS 113 1HZ LYS 113 -9.286 18.536 1.940 856 HZ3 LYS 113 2HZ LYS 113 -9.902 17.540 3.171 857 H VAL 114 H VAL 114 -9.098 13.875 -5.292 858 HA VAL 114 HA VAL 114 -7.316 15.246 -7.187 859 HB VAL 114 HB VAL 114 -7.760 12.818 -7.407 860 HG11 VAL 114 1HG1 VAL 114 -10.120 12.821 -6.568 861 HG12 VAL 114 2HG1 VAL 114 -9.947 11.963 -8.098 862 HG13 VAL 114 3HG1 VAL 114 -10.638 13.582 -8.073 863 HG21 VAL 114 3HG2 VAL 114 -7.216 14.195 -9.427 864 HG22 VAL 114 1HG2 VAL 114 -8.941 14.419 -9.725 865 HG23 VAL 114 2HG2 VAL 114 -8.226 12.813 -9.822 866 H LEU 115 H LEU 115 -7.943 16.836 -8.546 867 HA LEU 115 HA LEU 115 -10.482 18.185 -8.006 868 HB2 LEU 115 1HB LEU 115 -8.019 18.831 -9.652 869 HB3 LEU 115 2HB LEU 115 -9.474 19.803 -9.835 870 HG LEU 115 HG LEU 115 -7.849 20.801 -8.215 871 HD11 LEU 115 1HD1 LEU 115 -9.427 21.595 -6.716 872 HD12 LEU 115 2HD1 LEU 115 -10.201 20.036 -6.468 873 HD13 LEU 115 3HD1 LEU 115 -10.505 20.950 -7.946 874 HD21 LEU 115 3HD2 LEU 115 -7.314 19.763 -6.110 875 HD22 LEU 115 1HD2 LEU 115 -6.973 18.566 -7.358 876 HD23 LEU 115 2HD2 LEU 115 -8.442 18.443 -6.384 877 H GLU 116 H GLU 116 -12.245 18.163 -9.239 878 HA GLU 116 HA GLU 116 -12.620 16.168 -11.234 879 HB2 GLU 116 1HB GLU 116 -14.307 18.601 -10.535 880 HB3 GLU 116 2HB GLU 116 -14.845 17.252 -11.542 881 HG2 GLU 116 1HG GLU 116 -14.502 15.690 -9.643 882 HG3 GLU 116 2HG GLU 116 -13.955 17.028 -8.634 883 H HIS 117 H HIS 117 -11.903 19.620 -11.358 884 HA HIS 117 HA HIS 117 -11.103 19.382 -14.183 885 HB2 HIS 117 1HB HIS 117 -13.213 21.382 -13.261 886 HB3 HIS 117 2HB HIS 117 -12.506 21.297 -14.876 887 HD1 HIS 117 HD1 HIS 117 -14.999 19.651 -12.641 888 HD2 HIS 117 HD2 HIS 117 -13.339 18.991 -16.408 889 HE1 HIS 117 HE1 HIS 117 -16.420 17.872 -13.747 890 HE2 HIS 117 HE2 HIS 117 -15.422 17.458 -16.045 891 H HIS 118 H HIS 118 -9.824 21.139 -14.900 892 HA HIS 118 HA HIS 118 -9.089 23.340 -13.200 893 HB2 HIS 118 1HB HIS 118 -7.920 21.478 -12.004 894 HB3 HIS 118 2HB HIS 118 -7.037 21.098 -13.478 895 HD1 HIS 118 HD1 HIS 118 -5.255 22.859 -14.286 896 HD2 HIS 118 HD2 HIS 118 -6.991 23.763 -10.605 897 HE1 HIS 118 HE1 HIS 118 -3.851 24.703 -13.265 898 HE2 HIS 118 HE2 HIS 118 -4.895 25.264 -11.020 899 H HIS 119 H HIS 119 -8.997 21.560 -16.088 900 HA HIS 119 HA HIS 119 -6.960 23.143 -17.452 901 HB2 HIS 119 1HB HIS 119 -9.043 21.195 -18.525 902 HB3 HIS 119 2HB HIS 119 -7.681 21.851 -19.436 903 HD1 HIS 119 HD1 HIS 119 -8.538 19.390 -16.736 904 HD2 HIS 119 HD2 HIS 119 -5.131 20.772 -18.704 905 HE1 HIS 119 HE1 HIS 119 -6.658 17.815 -16.108 906 HE2 HIS 119 HE2 HIS 119 -4.573 18.643 -17.298 907 H HIS 120 H HIS 120 -9.380 24.442 -16.184 908 HA HIS 120 HA HIS 120 -11.167 25.354 -18.182 909 HB2 HIS 120 1HB HIS 120 -11.577 25.576 -15.734 910 HB3 HIS 120 2HB HIS 120 -10.296 26.781 -15.633 911 HD1 HIS 120 HD1 HIS 120 -10.745 29.103 -16.794 912 HD2 HIS 120 HD2 HIS 120 -14.016 26.518 -16.827 913 HE1 HIS 120 HE1 HIS 120 -12.749 30.490 -17.484 914 HE2 HIS 120 HE2 HIS 120 -14.750 28.928 -17.509 915 H HIS 121 H HIS 121 -8.156 26.796 -16.902 916 HA HIS 121 HA HIS 121 -8.201 29.052 -18.709 917 HB2 HIS 121 1HB HIS 121 -5.945 27.913 -17.004 918 HB3 HIS 121 2HB HIS 121 -5.959 29.503 -17.772 919 HD1 HIS 121 HD1 HIS 121 -8.255 30.966 -17.025 920 HD2 HIS 121 HD2 HIS 121 -6.856 28.033 -14.413 921 HE1 HIS 121 HE1 HIS 121 -9.241 31.499 -14.755 922 HE2 HIS 121 HE2 HIS 121 -8.399 29.721 -13.150 923 H HIS 122 H HIS 122 -8.572 27.571 -20.617 924 HA HIS 122 HA HIS 122 -6.515 25.879 -21.616 925 HB2 HIS 122 1HB HIS 122 -8.875 25.817 -22.412 926 HB3 HIS 122 2HB HIS 122 -8.658 27.391 -23.170 927 HD1 HIS 122 HD1 HIS 122 -7.115 23.901 -23.301 928 HD2 HIS 122 HD2 HIS 122 -7.657 27.224 -25.760 929 HE1 HIS 122 HE1 HIS 122 -6.219 23.258 -25.582 930 HE2 HIS 122 HE2 HIS 122 -6.543 25.274 -27.092 Start of MODEL 3 1 H1 MET 1 1H MET 1 11.946 12.484 4.130 2 H2 MET 1 2H MET 1 10.632 11.516 4.604 3 H3 MET 1 3H MET 1 10.924 12.999 5.381 4 HA MET 1 HA MET 1 9.416 13.853 3.993 5 HB2 MET 1 1HB MET 1 11.706 13.324 2.056 6 HB3 MET 1 2HB MET 1 10.383 14.448 1.750 7 HG2 MET 1 1HG MET 1 11.036 15.753 3.772 8 HG3 MET 1 2HG MET 1 12.375 14.638 4.045 9 HE1 MET 1 3HE MET 1 11.966 17.826 0.760 10 HE2 MET 1 1HE MET 1 11.491 18.028 2.449 11 HE3 MET 1 2HE MET 1 10.644 16.875 1.426 12 H ASP 2 H ASP 2 10.927 11.033 2.421 13 HA ASP 2 HA ASP 2 8.745 10.431 0.675 14 HB2 ASP 2 1HB ASP 2 10.943 8.644 1.791 15 HB3 ASP 2 2HB ASP 2 9.896 8.237 0.431 16 H LEU 3 H LEU 3 6.764 10.161 1.605 17 HA LEU 3 HA LEU 3 6.312 9.062 4.141 18 HB2 LEU 3 1HB LEU 3 4.493 9.466 1.770 19 HB3 LEU 3 2HB LEU 3 3.862 8.889 3.303 20 HG LEU 3 HG LEU 3 5.536 11.446 3.273 21 HD11 LEU 3 1HD1 LEU 3 2.565 11.339 2.654 22 HD12 LEU 3 2HD1 LEU 3 3.837 11.822 1.533 23 HD13 LEU 3 3HD1 LEU 3 3.500 12.807 2.954 24 HD21 LEU 3 3HD2 LEU 3 4.891 10.459 5.472 25 HD22 LEU 3 1HD2 LEU 3 3.193 10.554 5.013 26 HD23 LEU 3 2HD2 LEU 3 4.137 12.025 5.229 27 HA PRO 4 HA PRO 4 6.586 4.623 3.634 28 HB2 PRO 4 1HB PRO 4 3.769 4.519 4.765 29 HB3 PRO 4 2HB PRO 4 5.185 3.547 5.227 30 HG2 PRO 4 1HG PRO 4 4.431 5.573 6.754 31 HG3 PRO 4 2HG PRO 4 6.158 5.336 6.411 32 HD2 PRO 4 1HD PRO 4 4.267 7.385 5.216 33 HD3 PRO 4 2HD PRO 4 5.965 7.536 5.691 34 H ILE 5 H ILE 5 3.886 6.402 2.381 35 HA ILE 5 HA ILE 5 3.312 4.314 0.298 36 HB ILE 5 HB ILE 5 1.381 6.338 1.529 37 HG12 ILE 5 1HG1 ILE 5 1.400 3.276 1.784 38 HG13 ILE 5 2HG1 ILE 5 2.050 4.345 3.014 39 HG21 ILE 5 1HG2 ILE 5 0.831 5.851 -0.846 40 HG22 ILE 5 2HG2 ILE 5 -0.345 5.072 0.191 41 HG23 ILE 5 3HG2 ILE 5 0.947 4.122 -0.538 42 HD11 ILE 5 3HD1 ILE 5 -0.825 4.408 2.060 43 HD12 ILE 5 1HD1 ILE 5 -0.117 5.399 3.341 44 HD13 ILE 5 2HD1 ILE 5 -0.251 3.653 3.538 45 H THR 6 H THR 6 3.549 4.928 -1.737 46 HA THR 6 HA THR 6 3.645 7.831 -2.469 47 HB THR 6 HB THR 6 5.577 7.393 -3.907 48 HG1 THR 6 HG1 THR 6 5.193 5.259 -4.404 49 HG21 THR 6 3HG2 THR 6 6.054 6.295 -1.106 50 HG22 THR 6 1HG2 THR 6 5.982 8.011 -1.516 51 HG23 THR 6 2HG2 THR 6 7.270 6.998 -2.166 52 H LEU 7 H LEU 7 2.207 8.231 -3.987 53 HA LEU 7 HA LEU 7 1.260 6.060 -5.801 54 HB2 LEU 7 1HB LEU 7 -0.090 8.724 -5.167 55 HB3 LEU 7 2HB LEU 7 -0.756 7.371 -6.072 56 HG LEU 7 HG LEU 7 -0.110 6.071 -3.677 57 HD11 LEU 7 1HD1 LEU 7 -0.991 8.873 -2.859 58 HD12 LEU 7 2HD1 LEU 7 0.623 8.208 -2.616 59 HD13 LEU 7 3HD1 LEU 7 -0.756 7.490 -1.789 60 HD21 LEU 7 3HD2 LEU 7 -2.495 6.244 -3.070 61 HD22 LEU 7 1HD2 LEU 7 -2.310 5.948 -4.797 62 HD23 LEU 7 2HD2 LEU 7 -2.703 7.567 -4.219 63 H SER 8 H SER 8 1.152 6.407 -7.995 64 HA SER 8 HA SER 8 3.095 8.281 -9.110 65 HB2 SER 8 1HB SER 8 2.987 6.025 -10.036 66 HB3 SER 8 2HB SER 8 1.276 6.227 -10.407 67 HG SER 8 HG SER 8 3.466 7.690 -11.473 68 H LYS 9 H LYS 9 0.813 9.511 -7.847 69 HA LYS 9 HA LYS 9 -1.100 10.390 -9.800 70 HB2 LYS 9 1HB LYS 9 -1.733 12.040 -8.012 71 HB3 LYS 9 2HB LYS 9 -1.705 10.370 -7.441 72 HG2 LYS 9 1HG LYS 9 0.543 10.725 -6.463 73 HG3 LYS 9 2HG LYS 9 0.557 12.380 -7.042 74 HD2 LYS 9 1HD LYS 9 -1.445 12.888 -5.655 75 HD3 LYS 9 2HD LYS 9 -1.441 11.227 -5.058 76 HE2 LYS 9 1HE LYS 9 0.795 11.576 -4.063 77 HE3 LYS 9 2HE LYS 9 0.830 13.226 -4.697 78 HZ1 LYS 9 3HZ LYS 9 -0.025 12.676 -2.275 79 HZ2 LYS 9 1HZ LYS 9 -1.489 12.457 -3.102 80 HZ3 LYS 9 2HZ LYS 9 -0.678 13.945 -3.196 81 H GLU 10 H GLU 10 1.228 10.721 -11.075 82 HA GLU 10 HA GLU 10 2.623 13.133 -10.793 83 HB2 GLU 10 1HB GLU 10 3.250 11.216 -12.288 84 HB3 GLU 10 2HB GLU 10 1.966 11.684 -13.400 85 HG2 GLU 10 1HG GLU 10 3.054 13.902 -13.726 86 HG3 GLU 10 2HG GLU 10 4.322 13.444 -12.592 87 H THR 11 H THR 11 -0.406 12.434 -12.491 88 HA THR 11 HA THR 11 -0.912 15.357 -12.877 89 HB THR 11 HB THR 11 -2.124 14.763 -14.909 90 HG1 THR 11 HG1 THR 11 -1.266 12.262 -15.240 91 HG21 THR 11 3HG2 THR 11 -0.203 14.070 -16.294 92 HG22 THR 11 1HG2 THR 11 0.648 13.502 -14.859 93 HG23 THR 11 2HG2 THR 11 0.324 15.225 -15.070 94 HA PRO 12 HA PRO 12 -4.077 13.587 -9.872 95 HB2 PRO 12 1HB PRO 12 -4.311 16.625 -9.671 96 HB3 PRO 12 2HB PRO 12 -4.504 15.409 -8.377 97 HG2 PRO 12 1HG PRO 12 -2.216 16.687 -8.525 98 HG3 PRO 12 2HG PRO 12 -2.171 14.913 -8.358 99 HD2 PRO 12 1HD PRO 12 -1.754 16.563 -10.880 100 HD3 PRO 12 2HD PRO 12 -0.845 15.138 -10.318 101 H PHE 13 H PHE 13 -5.797 12.811 -11.015 102 HA PHE 13 HA PHE 13 -7.851 14.580 -11.983 103 HB2 PHE 13 1HB PHE 13 -6.176 14.689 -13.870 104 HB3 PHE 13 2HB PHE 13 -6.358 12.954 -14.104 105 HD1 PHE 13 HD2 PHE 13 -8.131 16.242 -14.235 106 HD2 PHE 13 HD1 PHE 13 -8.389 12.050 -15.206 107 HE1 PHE 13 HE2 PHE 13 -10.157 16.672 -15.593 108 HE2 PHE 13 HE1 PHE 13 -10.413 12.492 -16.560 109 HZ PHE 13 HZ PHE 13 -11.300 14.802 -16.753 110 H GLU 14 H GLU 14 -9.696 13.556 -11.572 111 HA GLU 14 HA GLU 14 -9.881 10.873 -10.719 112 HB2 GLU 14 1HB GLU 14 -11.999 12.790 -11.769 113 HB3 GLU 14 2HB GLU 14 -12.399 11.227 -11.054 114 HG2 GLU 14 1HG GLU 14 -10.816 13.404 -9.602 115 HG3 GLU 14 2HG GLU 14 -12.552 13.164 -9.426 116 H GLY 15 H GLY 15 -10.652 9.008 -11.705 117 HA2 GLY 15 1HA GLY 15 -11.335 7.608 -13.457 118 HA3 GLY 15 2HA GLY 15 -11.236 8.946 -14.587 119 H GLU 16 H GLU 16 -8.518 9.676 -13.679 120 HA GLU 16 HA GLU 16 -7.020 8.088 -15.524 121 HB2 GLU 16 1HB GLU 16 -6.505 10.483 -14.921 122 HB3 GLU 16 2HB GLU 16 -5.924 9.937 -13.351 123 HG2 GLU 16 1HG GLU 16 -4.203 8.533 -14.477 124 HG3 GLU 16 2HG GLU 16 -4.795 9.072 -16.049 125 H GLU 17 H GLU 17 -5.818 6.301 -15.221 126 HA GLU 17 HA GLU 17 -6.094 4.764 -12.830 127 HB2 GLU 17 1HB GLU 17 -5.770 3.836 -15.158 128 HB3 GLU 17 2HB GLU 17 -4.085 4.344 -15.098 129 HG2 GLU 17 1HG GLU 17 -3.731 2.911 -13.092 130 HG3 GLU 17 2HG GLU 17 -5.421 2.411 -13.145 131 H ILE 18 H ILE 18 -4.743 4.547 -11.115 132 HA ILE 18 HA ILE 18 -2.126 6.004 -11.079 133 HB ILE 18 HB ILE 18 -2.604 6.535 -8.677 134 HG12 ILE 18 1HG1 ILE 18 -5.462 5.645 -9.336 135 HG13 ILE 18 2HG1 ILE 18 -4.351 4.698 -8.359 136 HG21 ILE 18 1HG2 ILE 18 -3.002 8.219 -10.460 137 HG22 ILE 18 2HG2 ILE 18 -4.170 8.405 -9.157 138 HG23 ILE 18 3HG2 ILE 18 -4.649 7.621 -10.662 139 HD11 ILE 18 3HD1 ILE 18 -5.825 5.965 -6.905 140 HD12 ILE 18 1HD1 ILE 18 -5.367 7.474 -7.691 141 HD13 ILE 18 2HD1 ILE 18 -4.181 6.577 -6.743 142 H THR 19 H THR 19 -0.475 5.086 -9.975 143 HA THR 19 HA THR 19 -0.693 2.180 -9.522 144 HB THR 19 HB THR 19 1.776 3.970 -9.488 145 HG1 THR 19 HG1 THR 19 0.979 4.114 -11.500 146 HG21 THR 19 3HG2 THR 19 2.960 1.837 -9.939 147 HG22 THR 19 1HG2 THR 19 1.435 0.960 -9.830 148 HG23 THR 19 2HG2 THR 19 2.101 1.758 -8.404 149 H VAL 20 H VAL 20 -1.294 1.596 -7.543 150 HA VAL 20 HA VAL 20 -0.630 3.242 -5.185 151 HB VAL 20 HB VAL 20 -2.319 0.689 -5.344 152 HG11 VAL 20 1HG1 VAL 20 -1.525 1.234 -3.061 153 HG12 VAL 20 2HG1 VAL 20 -3.245 1.587 -3.186 154 HG13 VAL 20 3HG1 VAL 20 -2.070 2.899 -3.248 155 HG21 VAL 20 3HG2 VAL 20 -4.264 2.255 -5.347 156 HG22 VAL 20 1HG2 VAL 20 -3.279 2.469 -6.790 157 HG23 VAL 20 2HG2 VAL 20 -3.163 3.628 -5.466 158 H SER 21 H SER 21 1.221 2.839 -4.147 159 HA SER 21 HA SER 21 2.266 0.048 -3.914 160 HB2 SER 21 1HB SER 21 3.863 2.595 -4.371 161 HB3 SER 21 2HB SER 21 4.541 0.985 -4.108 162 HG SER 21 HG SER 21 2.603 1.159 -6.069 163 H ALA 22 H ALA 22 2.844 -0.553 -1.923 164 HA ALA 22 HA ALA 22 2.881 1.456 0.300 165 HB1 ALA 22 3HB ALA 22 1.858 -1.410 0.335 166 HB2 ALA 22 1HB ALA 22 0.853 0.039 0.345 167 HB3 ALA 22 2HB ALA 22 1.906 -0.311 1.719 168 H ARG 23 H ARG 23 4.767 1.540 1.338 169 HA ARG 23 HA ARG 23 6.888 -0.387 0.781 170 HB2 ARG 23 1HB ARG 23 6.785 2.030 2.625 171 HB3 ARG 23 2HB ARG 23 8.237 1.086 2.284 172 HG2 ARG 23 1HG ARG 23 8.043 1.631 -0.127 173 HG3 ARG 23 2HG ARG 23 6.578 2.564 0.189 174 HD2 ARG 23 1HD ARG 23 8.548 4.051 0.017 175 HD3 ARG 23 2HD ARG 23 7.879 4.095 1.644 176 HE ARG 23 HE ARG 23 9.884 2.093 1.506 177 HH11 ARG 23 1HH2 ARG 23 9.494 5.543 1.457 178 HH12 ARG 23 2HH2 ARG 23 11.049 5.863 2.149 179 HH21 ARG 23 1HH1 ARG 23 11.919 2.518 2.419 180 HH22 ARG 23 2HH1 ARG 23 12.419 4.154 2.692 181 H VAL 24 H VAL 24 6.906 -2.278 1.807 182 HA VAL 24 HA VAL 24 5.746 -2.566 4.515 183 HB VAL 24 HB VAL 24 5.824 -4.962 4.065 184 HG11 VAL 24 1HG1 VAL 24 4.838 -3.458 1.591 185 HG12 VAL 24 2HG1 VAL 24 3.947 -3.571 3.104 186 HG13 VAL 24 3HG1 VAL 24 4.263 -5.026 2.158 187 HG21 VAL 24 3HG2 VAL 24 6.613 -5.762 1.751 188 HG22 VAL 24 1HG2 VAL 24 7.897 -5.278 2.847 189 HG23 VAL 24 2HG2 VAL 24 7.385 -4.194 1.558 190 H THR 25 H THR 25 7.013 -2.566 6.247 191 HA THR 25 HA THR 25 9.957 -2.826 5.961 192 HB THR 25 HB THR 25 8.290 -1.782 8.292 193 HG1 THR 25 HG1 THR 25 9.600 0.145 7.214 194 HG21 THR 25 3HG2 THR 25 10.474 -0.796 9.000 195 HG22 THR 25 1HG2 THR 25 11.277 -1.638 7.677 196 HG23 THR 25 2HG2 THR 25 10.537 -2.554 8.991 197 H ASN 26 H ASN 26 10.854 -4.693 6.492 198 HA ASN 26 HA ASN 26 9.379 -6.716 8.059 199 HB2 ASN 26 1HB ASN 26 11.951 -6.785 6.439 200 HB3 ASN 26 2HB ASN 26 11.344 -8.167 7.356 201 HD21 ASN 26 2HD2 ASN 26 10.062 -9.554 6.129 202 HD22 ASN 26 1HD2 ASN 26 9.128 -9.097 4.789 203 H ARG 27 H ARG 27 9.679 -6.901 10.155 204 HA ARG 27 HA ARG 27 12.147 -5.809 11.455 205 HB2 ARG 27 1HB ARG 27 9.357 -6.266 12.585 206 HB3 ARG 27 2HB ARG 27 10.742 -5.630 13.483 207 HG2 ARG 27 1HG ARG 27 10.876 -3.709 11.886 208 HG3 ARG 27 2HG ARG 27 9.461 -4.334 11.032 209 HD2 ARG 27 1HD ARG 27 9.507 -3.511 13.963 210 HD3 ARG 27 2HD ARG 27 8.855 -2.536 12.647 211 HE ARG 27 HE ARG 27 7.581 -5.024 12.517 212 HH11 ARG 27 1HH2 ARG 27 7.856 -2.332 14.698 213 HH12 ARG 27 2HH2 ARG 27 6.284 -2.559 15.388 214 HH21 ARG 27 1HH1 ARG 27 5.522 -5.316 13.429 215 HH22 ARG 27 2HH1 ARG 27 4.966 -4.245 14.673 216 H GLY 28 H GLY 28 13.501 -7.226 12.312 217 HA2 GLY 28 1HA GLY 28 12.886 -9.435 13.886 218 HA3 GLY 28 2HA GLY 28 13.075 -10.048 12.242 219 H ALA 29 H ALA 29 14.999 -11.078 12.329 220 HA ALA 29 HA ALA 29 17.436 -9.498 12.583 221 HB1 ALA 29 3HB ALA 29 18.420 -10.914 14.352 222 HB2 ALA 29 1HB ALA 29 16.900 -11.805 14.496 223 HB3 ALA 29 2HB ALA 29 16.969 -10.102 14.943 224 H ALA 30 H ALA 30 15.730 -11.587 10.899 225 HA ALA 30 HA ALA 30 18.100 -12.889 9.708 226 HB1 ALA 30 3HB ALA 30 16.980 -15.088 9.694 227 HB2 ALA 30 1HB ALA 30 15.618 -14.414 10.595 228 HB3 ALA 30 2HB ALA 30 17.207 -14.523 11.349 229 H GLU 31 H GLU 31 17.700 -13.716 7.592 230 HA GLU 31 HA GLU 31 16.202 -11.971 5.938 231 HB2 GLU 31 1HB GLU 31 17.300 -14.748 5.347 232 HB3 GLU 31 2HB GLU 31 16.719 -13.615 4.123 233 HG2 GLU 31 1HG GLU 31 18.443 -11.967 4.822 234 HG3 GLU 31 2HG GLU 31 19.029 -13.094 6.045 235 H ALA 32 H ALA 32 14.048 -11.863 5.759 236 HA ALA 32 HA ALA 32 12.308 -14.111 6.500 237 HB1 ALA 32 3HB ALA 32 11.787 -11.814 7.265 238 HB2 ALA 32 1HB ALA 32 10.502 -12.441 6.230 239 HB3 ALA 32 2HB ALA 32 11.666 -11.272 5.594 240 H HIS 33 H HIS 33 10.767 -15.003 5.095 241 HA HIS 33 HA HIS 33 10.995 -14.447 2.183 242 HB2 HIS 33 1HB HIS 33 11.611 -17.054 3.603 243 HB3 HIS 33 2HB HIS 33 10.824 -17.145 2.030 244 HD1 HIS 33 HD1 HIS 33 12.372 -17.249 0.129 245 HD2 HIS 33 HD2 HIS 33 14.114 -15.240 3.333 246 HE1 HIS 33 HE1 HIS 33 14.729 -16.665 -0.585 247 HE2 HIS 33 HE2 HIS 33 15.801 -15.435 1.358 248 H ASN 34 H ASN 34 9.259 -15.305 0.951 249 HA ASN 34 HA ASN 34 7.010 -15.364 0.499 250 HB2 ASN 34 1HB ASN 34 6.930 -16.991 3.070 251 HB3 ASN 34 2HB ASN 34 5.709 -16.987 1.796 252 HD21 ASN 34 2HD2 ASN 34 8.099 -18.924 2.900 253 HD22 ASN 34 1HD2 ASN 34 8.646 -19.595 1.441 254 H VAL 35 H VAL 35 7.284 -12.976 1.161 255 HA VAL 35 HA VAL 35 5.544 -12.286 3.490 256 HB VAL 35 HB VAL 35 7.623 -10.570 2.099 257 HG11 VAL 35 1HG1 VAL 35 6.021 -10.168 4.670 258 HG12 VAL 35 2HG1 VAL 35 5.813 -9.252 3.180 259 HG13 VAL 35 3HG1 VAL 35 7.302 -9.099 4.101 260 HG21 VAL 35 3HG2 VAL 35 8.673 -12.469 3.315 261 HG22 VAL 35 1HG2 VAL 35 7.744 -12.064 4.762 262 HG23 VAL 35 2HG2 VAL 35 8.975 -10.952 4.152 263 HA PRO 36 HA PRO 36 3.264 -11.012 -0.362 264 HB2 PRO 36 1HB PRO 36 0.788 -11.956 0.211 265 HB3 PRO 36 2HB PRO 36 2.084 -13.067 -0.304 266 HG2 PRO 36 1HG PRO 36 1.152 -12.452 2.501 267 HG3 PRO 36 2HG PRO 36 1.416 -14.043 1.744 268 HD2 PRO 36 1HD PRO 36 3.316 -12.853 3.336 269 HD3 PRO 36 2HD PRO 36 3.775 -13.904 1.976 270 H VAL 37 H VAL 37 1.172 -9.673 -0.471 271 HA VAL 37 HA VAL 37 0.605 -8.068 1.932 272 HB VAL 37 HB VAL 37 2.625 -7.009 0.944 273 HG11 VAL 37 1HG1 VAL 37 2.534 -5.961 -1.270 274 HG12 VAL 37 2HG1 VAL 37 0.902 -6.544 -1.527 275 HG13 VAL 37 3HG1 VAL 37 2.240 -7.687 -1.422 276 HG21 VAL 37 3HG2 VAL 37 0.107 -5.322 0.559 277 HG22 VAL 37 1HG2 VAL 37 1.738 -4.708 0.826 278 HG23 VAL 37 2HG2 VAL 37 0.917 -5.606 2.100 279 H ALA 38 H ALA 38 -1.346 -7.032 1.850 280 HA ALA 38 HA ALA 38 -3.015 -7.295 -0.608 281 HB1 ALA 38 3HB ALA 38 -4.905 -7.927 0.841 282 HB2 ALA 38 1HB ALA 38 -3.863 -7.858 2.270 283 HB3 ALA 38 2HB ALA 38 -3.583 -9.081 1.031 284 H VAL 39 H VAL 39 -4.009 -5.450 -1.130 285 HA VAL 39 HA VAL 39 -4.221 -3.225 0.850 286 HB VAL 39 HB VAL 39 -4.106 -1.800 -1.321 287 HG11 VAL 39 1HG1 VAL 39 -2.231 -1.906 0.306 288 HG12 VAL 39 2HG1 VAL 39 -1.625 -1.808 -1.346 289 HG13 VAL 39 3HG1 VAL 39 -1.624 -3.355 -0.494 290 HG21 VAL 39 3HG2 VAL 39 -4.450 -3.682 -2.909 291 HG22 VAL 39 1HG2 VAL 39 -2.880 -4.344 -2.448 292 HG23 VAL 39 2HG2 VAL 39 -2.977 -2.773 -3.241 293 H TYR 40 H TYR 40 -6.092 -2.093 0.890 294 HA TYR 40 HA TYR 40 -8.287 -2.713 -0.967 295 HB2 TYR 40 1HB TYR 40 -9.827 -3.225 0.968 296 HB3 TYR 40 2HB TYR 40 -8.598 -4.458 0.689 297 HD1 TYR 40 HD2 TYR 40 -9.609 -1.641 2.912 298 HD2 TYR 40 HD1 TYR 40 -6.727 -4.795 2.274 299 HE1 TYR 40 HE2 TYR 40 -8.751 -1.342 5.213 300 HE2 TYR 40 HE1 TYR 40 -5.886 -4.483 4.576 301 HH TYR 40 HH TYR 40 -6.686 -1.778 6.473 302 H LEU 41 H LEU 41 -9.912 -1.182 -0.980 303 HA LEU 41 HA LEU 41 -9.166 1.440 0.198 304 HB2 LEU 41 1HB LEU 41 -9.627 1.105 -2.329 305 HB3 LEU 41 2HB LEU 41 -11.315 0.919 -1.899 306 HG LEU 41 HG LEU 41 -10.838 3.266 -0.542 307 HD11 LEU 41 1HD1 LEU 41 -8.903 3.424 -2.895 308 HD12 LEU 41 2HD1 LEU 41 -8.420 3.310 -1.204 309 HD13 LEU 41 3HD1 LEU 41 -9.308 4.721 -1.769 310 HD21 LEU 41 3HD2 LEU 41 -11.665 4.502 -2.557 311 HD22 LEU 41 1HD2 LEU 41 -12.579 3.030 -2.222 312 HD23 LEU 41 2HD2 LEU 41 -11.388 3.050 -3.522 313 H GLY 42 H GLY 42 -10.289 2.248 1.862 314 HA2 GLY 42 1HA GLY 42 -12.505 2.858 2.753 315 HA3 GLY 42 2HA GLY 42 -13.034 1.202 2.488 316 H ASN 43 H ASN 43 -13.575 0.988 4.671 317 HA ASN 43 HA ASN 43 -11.289 0.841 6.575 318 HB2 ASN 43 1HB ASN 43 -14.216 1.351 7.106 319 HB3 ASN 43 2HB ASN 43 -12.971 1.245 8.351 320 HD21 ASN 43 2HD2 ASN 43 -14.386 3.325 5.911 321 HD22 ASN 43 1HD2 ASN 43 -13.389 4.668 6.201 322 HA PRO 44 HA PRO 44 -12.276 -3.541 6.757 323 HB2 PRO 44 1HB PRO 44 -10.938 -4.329 8.996 324 HB3 PRO 44 2HB PRO 44 -10.055 -3.734 7.566 325 HG2 PRO 44 1HG PRO 44 -10.866 -2.177 10.030 326 HG3 PRO 44 2HG PRO 44 -9.250 -2.310 9.289 327 HD2 PRO 44 1HD PRO 44 -10.854 -0.182 8.732 328 HD3 PRO 44 2HD PRO 44 -9.826 -0.898 7.463 329 H ALA 45 H ALA 45 -13.360 -1.240 9.027 330 HA ALA 45 HA ALA 45 -14.694 -2.841 10.941 331 HB1 ALA 45 3HB ALA 45 -15.432 -0.079 9.903 332 HB2 ALA 45 1HB ALA 45 -14.306 -0.414 11.218 333 HB3 ALA 45 2HB ALA 45 -16.015 -0.803 11.405 334 H GLN 46 H GLN 46 -15.856 -1.427 7.878 335 HA GLN 46 HA GLN 46 -18.468 -2.737 8.087 336 HB2 GLN 46 1HB GLN 46 -17.119 -1.076 5.911 337 HB3 GLN 46 2HB GLN 46 -18.729 -1.772 5.717 338 HG2 GLN 46 1HG GLN 46 -18.927 0.554 6.475 339 HG3 GLN 46 2HG GLN 46 -19.501 -0.526 7.740 340 HE21 GLN 46 2HE2 GLN 46 -18.831 0.329 9.738 341 HE22 GLN 46 1HE2 GLN 46 -17.295 0.984 10.041 342 H GLY 47 H GLY 47 -16.213 -2.811 5.339 343 HA2 GLY 47 1HA GLY 47 -15.597 -5.552 5.353 344 HA3 GLY 47 2HA GLY 47 -17.079 -5.357 4.415 345 H GLY 48 H GLY 48 -13.723 -4.247 4.686 346 HA2 GLY 48 1HA GLY 48 -13.576 -2.855 2.215 347 HA3 GLY 48 2HA GLY 48 -12.213 -3.512 3.111 348 H VAL 49 H VAL 49 -12.137 -3.596 0.385 349 HA VAL 49 HA VAL 49 -12.359 -6.516 -0.211 350 HB VAL 49 HB VAL 49 -14.229 -5.291 -1.296 351 HG11 VAL 49 1HG1 VAL 49 -13.811 -3.616 -3.033 352 HG12 VAL 49 2HG1 VAL 49 -12.073 -3.750 -2.806 353 HG13 VAL 49 3HG1 VAL 49 -13.078 -3.080 -1.523 354 HG21 VAL 49 3HG2 VAL 49 -13.221 -7.283 -2.416 355 HG22 VAL 49 1HG2 VAL 49 -12.122 -6.228 -3.304 356 HG23 VAL 49 2HG2 VAL 49 -13.856 -6.133 -3.587 357 H GLU 50 H GLU 50 -10.654 -7.397 -1.227 358 HA GLU 50 HA GLU 50 -8.188 -5.910 -1.308 359 HB2 GLU 50 1HB GLU 50 -8.305 -8.333 -0.702 360 HB3 GLU 50 2HB GLU 50 -8.750 -8.717 -2.363 361 HG2 GLU 50 1HG GLU 50 -6.602 -7.737 -3.161 362 HG3 GLU 50 2HG GLU 50 -6.169 -7.331 -1.505 363 H ILE 51 H ILE 51 -7.153 -5.042 -3.043 364 HA ILE 51 HA ILE 51 -8.587 -4.920 -5.634 365 HB ILE 51 HB ILE 51 -6.164 -3.350 -4.640 366 HG12 ILE 51 1HG1 ILE 51 -9.078 -2.447 -4.910 367 HG13 ILE 51 2HG1 ILE 51 -8.354 -2.929 -3.387 368 HG21 ILE 51 1HG2 ILE 51 -6.731 -1.858 -6.608 369 HG22 ILE 51 2HG2 ILE 51 -7.933 -3.033 -7.118 370 HG23 ILE 51 3HG2 ILE 51 -6.224 -3.458 -7.111 371 HD11 ILE 51 3HD1 ILE 51 -8.294 -0.502 -3.598 372 HD12 ILE 51 1HD1 ILE 51 -7.421 -0.624 -5.119 373 HD13 ILE 51 2HD1 ILE 51 -6.655 -1.138 -3.614 374 H GLY 52 H GLY 52 -5.440 -5.831 -4.239 375 HA2 GLY 52 1HA GLY 52 -4.981 -7.922 -6.060 376 HA3 GLY 52 2HA GLY 52 -4.135 -6.488 -6.649 377 H ARG 53 H ARG 53 -2.607 -8.601 -6.030 378 HA ARG 53 HA ARG 53 -1.030 -7.631 -3.744 379 HB2 ARG 53 1HB ARG 53 -0.808 -9.971 -2.820 380 HB3 ARG 53 2HB ARG 53 -2.420 -9.291 -2.613 381 HG2 ARG 53 1HG ARG 53 -3.381 -10.662 -4.332 382 HG3 ARG 53 2HG ARG 53 -1.821 -11.045 -5.050 383 HD2 ARG 53 1HD ARG 53 -2.713 -12.980 -3.793 384 HD3 ARG 53 2HD ARG 53 -1.207 -12.399 -3.091 385 HE ARG 53 HE ARG 53 -2.353 -11.720 -1.182 386 HH11 ARG 53 1HH2 ARG 53 -4.616 -12.535 -3.701 387 HH12 ARG 53 2HH2 ARG 53 -5.988 -12.532 -2.643 388 HH21 ARG 53 1HH1 ARG 53 -4.158 -11.704 0.178 389 HH22 ARG 53 2HH1 ARG 53 -5.729 -12.064 -0.457 390 H ASP 54 H ASP 54 1.082 -8.644 -3.661 391 HA ASP 54 HA ASP 54 2.018 -10.125 -6.026 392 HB2 ASP 54 1HB ASP 54 3.061 -7.346 -5.341 393 HB3 ASP 54 2HB ASP 54 3.751 -8.424 -6.555 394 H THR 55 H THR 55 3.116 -11.719 -5.093 395 HA THR 55 HA THR 55 4.386 -11.454 -2.505 396 HB THR 55 HB THR 55 4.562 -13.765 -4.496 397 HG1 THR 55 HG1 THR 55 2.437 -13.416 -4.035 398 HG21 THR 55 3HG2 THR 55 4.946 -13.631 -1.471 399 HG22 THR 55 1HG2 THR 55 6.231 -13.875 -2.657 400 HG23 THR 55 2HG2 THR 55 4.984 -15.100 -2.440 401 H ILE 56 H ILE 56 6.476 -11.031 -2.091 402 HA ILE 56 HA ILE 56 8.267 -10.317 -4.315 403 HB ILE 56 HB ILE 56 8.572 -10.016 -1.293 404 HG12 ILE 56 1HG1 ILE 56 7.905 -7.887 -3.403 405 HG13 ILE 56 2HG1 ILE 56 6.688 -8.660 -2.397 406 HG21 ILE 56 1HG2 ILE 56 10.788 -10.064 -2.375 407 HG22 ILE 56 2HG2 ILE 56 10.422 -8.398 -1.957 408 HG23 ILE 56 3HG2 ILE 56 10.244 -8.945 -3.623 409 HD11 ILE 56 3HD1 ILE 56 7.356 -7.562 -0.473 410 HD12 ILE 56 1HD1 ILE 56 7.730 -6.341 -1.681 411 HD13 ILE 56 2HD1 ILE 56 9.017 -7.335 -1.012 412 H SER 57 H SER 57 10.329 -11.209 -4.569 413 HA SER 57 HA SER 57 10.540 -14.019 -4.226 414 HB2 SER 57 1HB SER 57 12.847 -13.726 -5.064 415 HB3 SER 57 2HB SER 57 11.715 -12.752 -6.001 416 HG SER 57 HG SER 57 12.454 -10.960 -5.074 417 H ARG 58 H ARG 58 12.258 -11.340 -2.592 418 HA ARG 58 HA ARG 58 12.258 -12.625 -0.029 419 HB2 ARG 58 1HB ARG 58 14.731 -12.975 0.142 420 HB3 ARG 58 2HB ARG 58 13.967 -14.064 -1.015 421 HG2 ARG 58 1HG ARG 58 14.654 -12.537 -2.878 422 HG3 ARG 58 2HG ARG 58 15.476 -11.506 -1.710 423 HD2 ARG 58 1HD ARG 58 16.937 -13.401 -1.063 424 HD3 ARG 58 2HD ARG 58 16.121 -14.427 -2.246 425 HE ARG 58 HE ARG 58 17.047 -12.129 -3.580 426 HH11 ARG 58 1HH2 ARG 58 18.305 -14.929 -1.927 427 HH12 ARG 58 2HH2 ARG 58 19.759 -14.985 -2.867 428 HH21 ARG 58 1HH1 ARG 58 18.939 -12.218 -4.792 429 HH22 ARG 58 2HH1 ARG 58 20.116 -13.452 -4.487 430 H ILE 59 H ILE 59 12.754 -11.186 1.571 431 HA ILE 59 HA ILE 59 13.575 -8.460 0.724 432 HB ILE 59 HB ILE 59 11.923 -9.147 3.167 433 HG12 ILE 59 1HG1 ILE 59 11.035 -8.084 0.439 434 HG13 ILE 59 2HG1 ILE 59 10.747 -9.719 1.011 435 HG21 ILE 59 1HG2 ILE 59 11.469 -6.699 3.173 436 HG22 ILE 59 2HG2 ILE 59 12.484 -6.498 1.754 437 HG23 ILE 59 3HG2 ILE 59 13.195 -6.988 3.285 438 HD11 ILE 59 3HD1 ILE 59 8.736 -8.481 1.380 439 HD12 ILE 59 1HD1 ILE 59 9.604 -7.169 2.167 440 HD13 ILE 59 2HD1 ILE 59 9.467 -8.737 2.960 441 HA PRO 60 HA PRO 60 17.101 -9.445 3.428 442 HB2 PRO 60 1HB PRO 60 18.608 -7.200 3.117 443 HB3 PRO 60 2HB PRO 60 18.385 -8.343 1.768 444 HG2 PRO 60 1HG PRO 60 16.872 -5.782 2.321 445 HG3 PRO 60 2HG PRO 60 17.657 -6.301 0.809 446 HD2 PRO 60 1HD PRO 60 14.985 -6.661 1.209 447 HD3 PRO 60 2HD PRO 60 15.934 -7.857 0.287 448 H VAL 61 H VAL 61 18.000 -8.708 5.460 449 HA VAL 61 HA VAL 61 16.041 -7.643 7.260 450 HB VAL 61 HB VAL 61 17.862 -7.914 8.938 451 HG11 VAL 61 1HG1 VAL 61 18.116 -10.366 8.696 452 HG12 VAL 61 2HG1 VAL 61 17.616 -10.251 7.009 453 HG13 VAL 61 3HG1 VAL 61 16.473 -9.864 8.295 454 HG21 VAL 61 3HG2 VAL 61 20.054 -8.853 8.212 455 HG22 VAL 61 1HG2 VAL 61 19.802 -7.247 7.541 456 HG23 VAL 61 2HG2 VAL 61 19.570 -8.670 6.530 457 H GLY 62 H GLY 62 15.971 -5.660 8.293 458 HA2 GLY 62 1HA GLY 62 16.359 -3.425 8.697 459 HA3 GLY 62 2HA GLY 62 17.998 -3.640 8.092 460 H GLY 63 H GLY 63 15.673 -4.764 5.915 461 HA2 GLY 63 1HA GLY 63 15.852 -2.297 4.233 462 HA3 GLY 63 2HA GLY 63 15.796 -3.947 3.626 463 H THR 64 H THR 64 14.026 -2.883 2.379 464 HA THR 64 HA THR 64 11.432 -3.456 3.683 465 HB THR 64 HB THR 64 10.442 -1.356 2.936 466 HG1 THR 64 HG1 THR 64 12.984 -1.010 1.758 467 HG21 THR 64 3HG2 THR 64 11.766 -1.338 5.136 468 HG22 THR 64 1HG2 THR 64 11.568 0.241 4.374 469 HG23 THR 64 2HG2 THR 64 13.096 -0.616 4.228 470 H GLY 65 H GLY 65 9.811 -4.021 2.239 471 HA2 GLY 65 1HA GLY 65 10.731 -4.944 -0.415 472 HA3 GLY 65 2HA GLY 65 9.243 -5.383 0.416 473 H LEU 66 H LEU 66 9.703 -4.326 -2.327 474 HA LEU 66 HA LEU 66 7.924 -1.919 -2.163 475 HB2 LEU 66 1HB LEU 66 10.427 -1.814 -3.174 476 HB3 LEU 66 2HB LEU 66 9.652 -2.436 -4.615 477 HG LEU 66 HG LEU 66 9.709 -0.004 -4.783 478 HD11 LEU 66 1HD1 LEU 66 7.621 -1.174 -5.550 479 HD12 LEU 66 2HD1 LEU 66 7.377 0.512 -5.115 480 HD13 LEU 66 3HD1 LEU 66 6.860 -0.751 -4.015 481 HD21 LEU 66 3HD2 LEU 66 9.736 0.227 -2.080 482 HD22 LEU 66 1HD2 LEU 66 8.010 0.509 -2.326 483 HD23 LEU 66 2HD2 LEU 66 9.198 1.530 -3.122 484 H ALA 67 H ALA 67 5.941 -2.539 -2.556 485 HA ALA 67 HA ALA 67 5.343 -4.643 -4.571 486 HB1 ALA 67 3HB ALA 67 4.441 -4.888 -2.282 487 HB2 ALA 67 1HB ALA 67 3.151 -4.748 -3.478 488 HB3 ALA 67 2HB ALA 67 3.571 -3.367 -2.452 489 H ARG 68 H ARG 68 3.739 -4.279 -6.129 490 HA ARG 68 HA ARG 68 3.062 -1.432 -6.724 491 HB2 ARG 68 1HB ARG 68 5.015 -2.253 -8.119 492 HB3 ARG 68 2HB ARG 68 3.947 -3.457 -8.832 493 HG2 ARG 68 1HG ARG 68 2.443 -1.630 -9.636 494 HG3 ARG 68 2HG ARG 68 3.524 -0.432 -8.924 495 HD2 ARG 68 1HD ARG 68 3.986 -0.630 -11.314 496 HD3 ARG 68 2HD ARG 68 5.359 -1.272 -10.408 497 HE ARG 68 HE ARG 68 3.569 -3.389 -10.960 498 HH11 ARG 68 1HH2 ARG 68 5.691 -1.193 -12.617 499 HH12 ARG 68 2HH2 ARG 68 6.055 -2.301 -13.897 500 HH21 ARG 68 1HH1 ARG 68 4.044 -4.831 -12.637 501 HH22 ARG 68 2HH1 ARG 68 5.123 -4.359 -13.908 502 H VAL 69 H VAL 69 0.975 -1.169 -6.911 503 HA VAL 69 HA VAL 69 -0.722 -3.304 -8.096 504 HB VAL 69 HB VAL 69 -1.458 -1.787 -5.538 505 HG11 VAL 69 1HG1 VAL 69 -3.428 -2.369 -6.919 506 HG12 VAL 69 2HG1 VAL 69 -3.376 -3.428 -5.522 507 HG13 VAL 69 3HG1 VAL 69 -2.853 -4.026 -7.088 508 HG21 VAL 69 3HG2 VAL 69 0.317 -3.446 -5.088 509 HG22 VAL 69 1HG2 VAL 69 -0.604 -4.689 -5.937 510 HG23 VAL 69 2HG2 VAL 69 -1.212 -4.007 -4.429 511 H GLN 70 H GLN 70 -2.174 -2.563 -9.494 512 HA GLN 70 HA GLN 70 -2.394 0.381 -9.924 513 HB2 GLN 70 1HB GLN 70 -2.999 -1.978 -11.744 514 HB3 GLN 70 2HB GLN 70 -3.216 -0.280 -12.182 515 HG2 GLN 70 1HG GLN 70 -0.787 0.124 -11.797 516 HG3 GLN 70 2HG GLN 70 -0.573 -1.578 -11.394 517 HE21 GLN 70 2HE2 GLN 70 -0.388 0.622 -13.956 518 HE22 GLN 70 1HE2 GLN 70 -0.461 -0.482 -15.241 519 H TRP 71 H TRP 71 -4.320 1.404 -9.814 520 HA TRP 71 HA TRP 71 -6.820 -0.148 -9.499 521 HB2 TRP 71 1HB TRP 71 -5.954 0.384 -7.205 522 HB3 TRP 71 2HB TRP 71 -5.972 2.094 -7.606 523 HD1 TRP 71 HD1 TRP 71 -8.552 -0.803 -7.916 524 HE1 TRP 71 HE1 TRP 71 -10.831 0.059 -7.136 525 HE3 TRP 71 HE3 TRP 71 -7.302 3.995 -6.692 526 HZ2 TRP 71 HZ2 TRP 71 -11.997 2.469 -6.140 527 HZ3 TRP 71 HZ3 TRP 71 -9.025 5.559 -5.838 528 HH2 TRP 71 HH2 TRP 71 -11.370 4.800 -5.555 529 H LYS 72 H LYS 72 -8.451 0.689 -10.589 530 HA LYS 72 HA LYS 72 -8.057 3.159 -12.116 531 HB2 LYS 72 1HB LYS 72 -9.009 1.088 -13.160 532 HB3 LYS 72 2HB LYS 72 -10.427 1.231 -12.123 533 HG2 LYS 72 1HG LYS 72 -10.931 3.462 -13.100 534 HG3 LYS 72 2HG LYS 72 -9.485 3.353 -14.108 535 HD2 LYS 72 1HD LYS 72 -10.423 1.345 -15.231 536 HD3 LYS 72 2HD LYS 72 -11.872 1.465 -14.230 537 HE2 LYS 72 1HE LYS 72 -12.350 3.704 -15.183 538 HE3 LYS 72 2HE LYS 72 -10.897 3.588 -16.183 539 HZ1 LYS 72 3HZ LYS 72 -11.936 2.297 -17.635 540 HZ2 LYS 72 1HZ LYS 72 -13.387 2.702 -16.854 541 HZ3 LYS 72 2HZ LYS 72 -12.559 1.282 -16.423 542 H ALA 73 H ALA 73 -8.783 5.085 -11.442 543 HA ALA 73 HA ALA 73 -10.227 5.429 -8.990 544 HB1 ALA 73 3HB ALA 73 -10.257 7.828 -9.617 545 HB2 ALA 73 1HB ALA 73 -9.702 7.410 -11.244 546 HB3 ALA 73 2HB ALA 73 -8.656 7.127 -9.856 547 H THR 74 H THR 74 -12.245 4.522 -8.978 548 HA THR 74 HA THR 74 -14.208 5.189 -11.125 549 HB THR 74 HB THR 74 -13.943 2.793 -10.756 550 HG1 THR 74 HG1 THR 74 -16.011 3.130 -11.120 551 HG21 THR 74 3HG2 THR 74 -14.597 3.354 -7.835 552 HG22 THR 74 1HG2 THR 74 -13.017 2.871 -8.448 553 HG23 THR 74 2HG2 THR 74 -14.382 1.766 -8.558 554 H ARG 75 H ARG 75 -16.519 5.165 -10.110 555 HA ARG 75 HA ARG 75 -16.755 6.494 -7.520 556 HB2 ARG 75 1HB ARG 75 -17.810 8.542 -8.488 557 HB3 ARG 75 2HB ARG 75 -16.110 8.391 -8.937 558 HG2 ARG 75 1HG ARG 75 -16.762 7.443 -11.139 559 HG3 ARG 75 2HG ARG 75 -18.464 7.590 -10.706 560 HD2 ARG 75 1HD ARG 75 -18.202 10.045 -10.484 561 HD3 ARG 75 2HD ARG 75 -16.503 9.901 -10.940 562 HE ARG 75 HE ARG 75 -18.014 8.659 -12.950 563 HH11 ARG 75 1HH2 ARG 75 -17.583 11.824 -11.574 564 HH12 ARG 75 2HH2 ARG 75 -17.942 12.657 -13.050 565 HH21 ARG 75 1HH1 ARG 75 -18.479 9.755 -14.872 566 HH22 ARG 75 2HH1 ARG 75 -18.448 11.485 -14.914 567 H LYS 76 H LYS 76 -19.068 7.114 -7.120 568 HA LYS 76 HA LYS 76 -21.075 5.633 -8.667 569 HB2 LYS 76 1HB LYS 76 -20.130 3.958 -7.063 570 HB3 LYS 76 2HB LYS 76 -20.594 4.998 -5.718 571 HG2 LYS 76 1HG LYS 76 -22.981 4.830 -6.398 572 HG3 LYS 76 2HG LYS 76 -22.520 3.826 -7.778 573 HD2 LYS 76 1HD LYS 76 -21.628 2.105 -6.228 574 HD3 LYS 76 2HD LYS 76 -22.079 3.112 -4.847 575 HE2 LYS 76 1HE LYS 76 -23.801 1.387 -5.264 576 HE3 LYS 76 2HE LYS 76 -24.459 2.999 -5.547 577 HZ1 LYS 76 3HZ LYS 76 -24.892 1.200 -7.285 578 HZ2 LYS 76 1HZ LYS 76 -23.274 1.421 -7.746 579 HZ3 LYS 76 2HZ LYS 76 -24.368 2.719 -7.836 580 H LEU 77 H LEU 77 -23.080 6.472 -8.483 581 HA LEU 77 HA LEU 77 -23.357 9.097 -7.282 582 HB2 LEU 77 1HB LEU 77 -25.791 8.804 -8.155 583 HB3 LEU 77 2HB LEU 77 -24.513 8.871 -9.357 584 HG LEU 77 HG LEU 77 -25.114 6.067 -8.389 585 HD11 LEU 77 1HD1 LEU 77 -27.164 7.537 -10.077 586 HD12 LEU 77 2HD1 LEU 77 -27.405 6.949 -8.430 587 HD13 LEU 77 3HD1 LEU 77 -27.147 5.803 -9.742 588 HD21 LEU 77 3HD2 LEU 77 -23.546 6.588 -10.280 589 HD22 LEU 77 1HD2 LEU 77 -24.906 7.233 -11.198 590 HD23 LEU 77 2HD2 LEU 77 -24.867 5.525 -10.758 591 H ALA 78 H ALA 78 -23.531 9.174 -5.107 592 HA ALA 78 HA ALA 78 -25.844 8.097 -3.770 593 HB1 ALA 78 3HB ALA 78 -23.137 6.884 -3.063 594 HB2 ALA 78 1HB ALA 78 -24.468 6.036 -3.846 595 HB3 ALA 78 2HB ALA 78 -24.646 6.610 -2.191 596 H GLY 79 H GLY 79 -26.276 10.026 -2.833 597 HA2 GLY 79 1HA GLY 79 -26.156 11.740 -1.321 598 HA3 GLY 79 2HA GLY 79 -24.817 10.895 -0.549 599 H ARG 80 H ARG 80 -25.694 13.566 -2.446 600 HA ARG 80 HA ARG 80 -23.310 14.033 -3.915 601 HB2 ARG 80 1HB ARG 80 -25.472 15.205 -4.341 602 HB3 ARG 80 2HB ARG 80 -25.291 16.087 -2.826 603 HG2 ARG 80 1HG ARG 80 -23.177 17.109 -3.667 604 HG3 ARG 80 2HG ARG 80 -23.342 16.205 -5.173 605 HD2 ARG 80 1HD ARG 80 -25.348 18.240 -4.130 606 HD3 ARG 80 2HD ARG 80 -24.148 18.560 -5.382 607 HE ARG 80 HE ARG 80 -26.643 17.156 -5.710 608 HH11 ARG 80 1HH2 ARG 80 -23.360 17.353 -6.850 609 HH12 ARG 80 2HH2 ARG 80 -23.725 16.689 -8.407 610 HH21 ARG 80 1HH1 ARG 80 -27.101 16.288 -7.752 611 HH22 ARG 80 2HH1 ARG 80 -25.834 16.091 -8.916 612 H ALA 81 H ALA 81 -21.443 15.101 -3.389 613 HA ALA 81 HA ALA 81 -21.085 16.478 -0.841 614 HB1 ALA 81 3HB ALA 81 -19.563 13.904 -1.426 615 HB2 ALA 81 1HB ALA 81 -20.801 14.102 -0.185 616 HB3 ALA 81 2HB ALA 81 -19.279 14.982 -0.057 617 H ALA 82 H ALA 82 -19.123 17.634 -0.732 618 HA ALA 82 HA ALA 82 -18.176 18.641 -3.230 619 HB1 ALA 82 3HB ALA 82 -17.023 18.966 -0.431 620 HB2 ALA 82 1HB ALA 82 -18.237 20.007 -1.171 621 HB3 ALA 82 2HB ALA 82 -16.603 19.953 -1.835 622 H ASN 83 H ASN 83 -16.082 17.341 -0.665 623 HA ASN 83 HA ASN 83 -14.141 16.463 -2.593 624 HB2 ASN 83 1HB ASN 83 -12.926 15.609 -0.545 625 HB3 ASN 83 2HB ASN 83 -13.351 17.321 -0.481 626 HD21 ASN 83 2HD2 ASN 83 -14.520 14.100 0.610 627 HD22 ASN 83 1HD2 ASN 83 -15.306 14.699 1.991 628 HA PRO 84 HA PRO 84 -15.838 12.299 -2.972 629 HB2 PRO 84 1HB PRO 84 -13.763 10.931 -4.064 630 HB3 PRO 84 2HB PRO 84 -14.540 12.263 -4.958 631 HG2 PRO 84 1HG PRO 84 -12.044 12.379 -3.249 632 HG3 PRO 84 2HG PRO 84 -12.257 12.917 -4.931 633 HD2 PRO 84 1HD PRO 84 -12.452 14.696 -2.875 634 HD3 PRO 84 2HD PRO 84 -13.517 14.837 -4.299 635 H GLY 85 H GLY 85 -12.685 12.668 -1.374 636 HA2 GLY 85 1HA GLY 85 -11.779 11.666 0.502 637 HA3 GLY 85 2HA GLY 85 -13.428 11.274 0.978 638 H VAL 86 H VAL 86 -10.710 10.206 -1.013 639 HA VAL 86 HA VAL 86 -11.671 7.372 -0.853 640 HB VAL 86 HB VAL 86 -10.278 7.092 -2.993 641 HG11 VAL 86 1HG1 VAL 86 -12.755 7.126 -3.034 642 HG12 VAL 86 2HG1 VAL 86 -12.102 7.939 -4.454 643 HG13 VAL 86 3HG1 VAL 86 -12.737 8.888 -3.107 644 HG21 VAL 86 3HG2 VAL 86 -10.541 10.142 -3.070 645 HG22 VAL 86 1HG2 VAL 86 -9.873 9.118 -4.337 646 HG23 VAL 86 2HG2 VAL 86 -9.033 9.276 -2.802 647 HA PRO 87 HA PRO 87 -7.527 7.977 1.353 648 HB2 PRO 87 1HB PRO 87 -8.213 6.631 3.691 649 HB3 PRO 87 2HB PRO 87 -8.534 8.362 3.448 650 HG2 PRO 87 1HG PRO 87 -10.406 6.049 2.932 651 HG3 PRO 87 2HG PRO 87 -10.700 7.503 3.921 652 HD2 PRO 87 1HD PRO 87 -11.618 7.454 1.441 653 HD3 PRO 87 2HD PRO 87 -10.782 8.925 1.979 654 H VAL 88 H VAL 88 -5.937 6.421 1.468 655 HA VAL 88 HA VAL 88 -6.635 3.688 0.484 656 HB VAL 88 HB VAL 88 -3.981 5.189 0.280 657 HG11 VAL 88 1HG1 VAL 88 -3.752 2.708 0.252 658 HG12 VAL 88 2HG1 VAL 88 -3.435 3.378 -1.333 659 HG13 VAL 88 3HG1 VAL 88 -4.980 2.602 -1.011 660 HG21 VAL 88 3HG2 VAL 88 -4.607 5.428 -2.134 661 HG22 VAL 88 1HG2 VAL 88 -5.721 6.295 -1.086 662 HG23 VAL 88 2HG2 VAL 88 -6.193 4.745 -1.787 663 H TYR 89 H TYR 89 -5.900 1.938 1.544 664 HA TYR 89 HA TYR 89 -4.260 2.252 4.022 665 HB2 TYR 89 1HB TYR 89 -6.834 0.650 3.718 666 HB3 TYR 89 2HB TYR 89 -5.762 0.569 5.114 667 HD1 TYR 89 HD1 TYR 89 -5.283 2.674 6.468 668 HD2 TYR 89 HD2 TYR 89 -8.438 2.517 3.530 669 HE1 TYR 89 HE1 TYR 89 -6.330 4.682 7.470 670 HE2 TYR 89 HE2 TYR 89 -9.474 4.513 4.564 671 HH TYR 89 HH TYR 89 -8.873 5.593 7.513 672 H ALA 90 H ALA 90 -3.062 0.486 4.585 673 HA ALA 90 HA ALA 90 -2.919 -1.845 2.767 674 HB1 ALA 90 3HB ALA 90 -1.364 -0.155 1.826 675 HB2 ALA 90 1HB ALA 90 -0.484 -1.545 2.461 676 HB3 ALA 90 2HB ALA 90 -0.546 -0.031 3.375 677 H VAL 91 H VAL 91 -2.294 -3.666 3.774 678 HA VAL 91 HA VAL 91 -1.262 -3.537 6.567 679 HB VAL 91 HB VAL 91 -3.495 -5.373 5.559 680 HG11 VAL 91 1HG1 VAL 91 -2.137 -6.488 7.292 681 HG12 VAL 91 2HG1 VAL 91 -3.650 -5.974 8.025 682 HG13 VAL 91 3HG1 VAL 91 -2.177 -5.045 8.304 683 HG21 VAL 91 3HG2 VAL 91 -4.917 -4.064 7.154 684 HG22 VAL 91 1HG2 VAL 91 -4.293 -3.053 5.850 685 HG23 VAL 91 2HG2 VAL 91 -3.563 -2.975 7.456 686 H VAL 92 H VAL 92 0.193 -5.052 7.090 687 HA VAL 92 HA VAL 92 1.270 -6.776 4.929 688 HB VAL 92 HB VAL 92 3.276 -6.908 6.518 689 HG11 VAL 92 1HG1 VAL 92 2.425 -4.127 5.600 690 HG12 VAL 92 2HG1 VAL 92 3.244 -5.338 4.613 691 HG13 VAL 92 3HG1 VAL 92 4.079 -4.615 5.986 692 HG21 VAL 92 3HG2 VAL 92 1.775 -4.696 7.995 693 HG22 VAL 92 1HG2 VAL 92 3.411 -5.249 8.335 694 HG23 VAL 92 2HG2 VAL 92 2.050 -6.321 8.609 695 H ASP 93 H ASP 93 1.285 -8.927 5.082 696 HA ASP 93 HA ASP 93 -0.500 -10.349 6.529 697 HB2 ASP 93 1HB ASP 93 0.911 -12.371 6.023 698 HB3 ASP 93 2HB ASP 93 0.671 -11.298 4.641 699 HA PRO 94 HA PRO 94 1.194 -10.385 10.700 700 HB2 PRO 94 1HB PRO 94 -0.188 -12.412 11.875 701 HB3 PRO 94 2HB PRO 94 -1.035 -10.960 11.283 702 HG2 PRO 94 1HG PRO 94 -0.655 -13.600 9.847 703 HG3 PRO 94 2HG PRO 94 -2.177 -12.726 10.164 704 HD2 PRO 94 1HD PRO 94 -0.906 -12.442 7.780 705 HD3 PRO 94 2HD PRO 94 -1.695 -11.042 8.549 706 H ASP 95 H ASP 95 2.942 -11.254 11.737 707 HA ASP 95 HA ASP 95 4.499 -13.307 10.435 708 HB2 ASP 95 1HB ASP 95 4.860 -11.871 13.095 709 HB3 ASP 95 2HB ASP 95 6.072 -12.898 12.327 710 H ASN 96 H ASN 96 2.628 -13.084 13.447 711 HA ASN 96 HA ASN 96 1.986 -15.873 13.473 712 HB2 ASN 96 1HB ASN 96 3.274 -16.458 15.559 713 HB3 ASN 96 2HB ASN 96 4.320 -16.159 14.178 714 HD21 ASN 96 2HD2 ASN 96 3.706 -15.208 17.420 715 HD22 ASN 96 1HD2 ASN 96 4.715 -13.843 17.442 716 H ARG 97 H ARG 97 -0.008 -14.544 13.614 717 HA ARG 97 HA ARG 97 -1.783 -13.631 14.757 718 HB2 ARG 97 1HB ARG 97 -0.591 -15.302 17.003 719 HB3 ARG 97 2HB ARG 97 -2.242 -14.670 16.965 720 HG2 ARG 97 1HG ARG 97 -2.699 -15.975 14.898 721 HG3 ARG 97 2HG ARG 97 -1.051 -16.614 14.938 722 HD2 ARG 97 1HD ARG 97 -3.121 -17.010 17.137 723 HD3 ARG 97 2HD ARG 97 -2.694 -18.212 15.917 724 HE ARG 97 HE ARG 97 -0.317 -17.395 17.176 725 HH11 ARG 97 1HH2 ARG 97 -3.270 -19.071 17.926 726 HH12 ARG 97 2HH2 ARG 97 -2.555 -20.042 19.171 727 HH21 ARG 97 1HH1 ARG 97 0.607 -18.662 18.806 728 HH22 ARG 97 2HH1 ARG 97 -0.364 -19.811 19.667 729 H VAL 98 H VAL 98 -0.196 -11.651 14.517 730 HA VAL 98 HA VAL 98 1.025 -10.570 16.854 731 HB VAL 98 HB VAL 98 1.656 -9.907 14.562 732 HG11 VAL 98 1HG1 VAL 98 -0.595 -10.008 13.531 733 HG12 VAL 98 2HG1 VAL 98 0.189 -8.465 13.205 734 HG13 VAL 98 3HG1 VAL 98 -1.076 -8.569 14.421 735 HG21 VAL 98 3HG2 VAL 98 1.804 -7.478 14.922 736 HG22 VAL 98 1HG2 VAL 98 2.061 -8.311 16.452 737 HG23 VAL 98 2HG2 VAL 98 0.517 -7.536 16.115 738 H ALA 99 H ALA 99 0.291 -9.001 18.278 739 HA ALA 99 HA ALA 99 -2.487 -9.066 18.969 740 HB1 ALA 99 3HB ALA 99 -0.688 -8.783 20.646 741 HB2 ALA 99 1HB ALA 99 -1.836 -7.445 20.718 742 HB3 ALA 99 2HB ALA 99 -0.265 -7.224 19.941 743 H GLU 100 H GLU 100 -3.897 -7.213 19.098 744 HA GLU 100 HA GLU 100 -4.043 -5.759 16.650 745 HB2 GLU 100 1HB GLU 100 -6.013 -6.398 18.100 746 HB3 GLU 100 2HB GLU 100 -5.511 -5.177 19.263 747 HG2 GLU 100 1HG GLU 100 -7.254 -4.219 17.843 748 HG3 GLU 100 2HG GLU 100 -5.741 -3.423 17.442 749 H SER 101 H SER 101 -3.711 -4.452 19.964 750 HA SER 101 HA SER 101 -3.084 -1.837 19.446 751 HB2 SER 101 1HB SER 101 -1.857 -1.809 21.573 752 HB3 SER 101 2HB SER 101 -3.278 -2.841 21.718 753 HG SER 101 HG SER 101 -1.318 -3.785 22.539 754 H ASP 102 H ASP 102 -0.863 -4.591 19.226 755 HA ASP 102 HA ASP 102 1.476 -3.025 18.615 756 HB2 ASP 102 1HB ASP 102 1.593 -5.325 19.545 757 HB3 ASP 102 2HB ASP 102 0.881 -5.963 18.067 758 H LYS 103 H LYS 103 -0.615 -5.129 16.586 759 HA LYS 103 HA LYS 103 0.454 -4.687 14.101 760 HB2 LYS 103 1HB LYS 103 -1.489 -6.173 14.592 761 HB3 LYS 103 2HB LYS 103 -2.533 -4.764 14.715 762 HG2 LYS 103 1HG LYS 103 -2.034 -4.178 12.351 763 HG3 LYS 103 2HG LYS 103 -0.948 -5.564 12.239 764 HD2 LYS 103 1HD LYS 103 -2.860 -7.091 12.673 765 HD3 LYS 103 2HD LYS 103 -3.943 -5.701 12.782 766 HE2 LYS 103 1HE LYS 103 -3.398 -5.087 10.451 767 HE3 LYS 103 2HE LYS 103 -2.302 -6.467 10.338 768 HZ1 LYS 103 3HZ LYS 103 -4.460 -7.715 11.141 769 HZ2 LYS 103 1HZ LYS 103 -4.171 -7.403 9.500 770 HZ3 LYS 103 2HZ LYS 103 -5.224 -6.402 10.381 771 H ALA 104 H ALA 104 -1.667 -2.509 15.893 772 HA ALA 104 HA ALA 104 -2.165 -0.566 13.915 773 HB1 ALA 104 3HB ALA 104 -1.773 -0.131 16.896 774 HB2 ALA 104 1HB ALA 104 -3.282 -0.614 16.126 775 HB3 ALA 104 2HB ALA 104 -2.589 0.974 15.790 776 H ASN 105 H ASN 105 0.813 -1.572 14.805 777 HA ASN 105 HA ASN 105 2.202 1.043 14.754 778 HB2 ASN 105 1HB ASN 105 3.265 -1.797 15.019 779 HB3 ASN 105 2HB ASN 105 4.245 -0.336 15.092 780 HD21 ASN 105 2HD2 ASN 105 3.791 -2.351 17.259 781 HD22 ASN 105 1HD2 ASN 105 3.143 -1.476 18.562 782 H ASN 106 H ASN 106 1.661 -1.815 12.715 783 HA ASN 106 HA ASN 106 3.397 -0.765 10.558 784 HB2 ASN 106 1HB ASN 106 1.813 -3.361 10.804 785 HB3 ASN 106 2HB ASN 106 2.941 -2.965 9.503 786 HD21 ASN 106 2HD2 ASN 106 3.011 -5.094 11.740 787 HD22 ASN 106 1HD2 ASN 106 4.540 -4.884 12.446 788 H VAL 107 H VAL 107 0.975 0.683 11.270 789 HA VAL 107 HA VAL 107 -0.811 0.196 8.928 790 HB VAL 107 HB VAL 107 -1.853 0.263 11.209 791 HG11 VAL 107 1HG1 VAL 107 -1.930 2.300 12.526 792 HG12 VAL 107 2HG1 VAL 107 -1.168 3.243 11.247 793 HG13 VAL 107 3HG1 VAL 107 -0.234 2.040 12.123 794 HG21 VAL 107 3HG2 VAL 107 -3.155 0.904 9.170 795 HG22 VAL 107 1HG2 VAL 107 -2.669 2.584 9.389 796 HG23 VAL 107 2HG2 VAL 107 -3.697 1.801 10.584 797 H PHE 108 H PHE 108 -1.002 1.688 7.350 798 HA PHE 108 HA PHE 108 0.115 4.404 7.685 799 HB2 PHE 108 1HB PHE 108 0.980 2.574 5.399 800 HB3 PHE 108 2HB PHE 108 1.501 4.233 5.678 801 HD1 PHE 108 HD2 PHE 108 2.503 4.721 8.115 802 HD2 PHE 108 HD1 PHE 108 2.437 0.826 6.244 803 HE1 PHE 108 HE2 PHE 108 4.307 3.953 9.622 804 HE2 PHE 108 HE1 PHE 108 4.239 0.080 7.765 805 HZ PHE 108 HZ PHE 108 5.176 1.637 9.452 806 H SER 109 H SER 109 -0.741 5.906 6.302 807 HA SER 109 HA SER 109 -2.479 5.215 4.096 808 HB2 SER 109 1HB SER 109 -4.561 6.065 5.076 809 HB3 SER 109 2HB SER 109 -3.951 4.740 6.066 810 HG SER 109 HG SER 109 -3.914 7.516 6.545 811 H ARG 110 H ARG 110 -3.032 7.018 2.873 812 HA ARG 110 HA ARG 110 -1.994 9.680 3.760 813 HB2 ARG 110 1HB ARG 110 -0.320 8.540 2.269 814 HB3 ARG 110 2HB ARG 110 -1.538 8.447 1.001 815 HG2 ARG 110 1HG ARG 110 -1.728 10.951 1.027 816 HG3 ARG 110 2HG ARG 110 -0.491 11.014 2.278 817 HD2 ARG 110 1HD ARG 110 1.096 9.880 0.689 818 HD3 ARG 110 2HD ARG 110 -0.154 9.984 -0.562 819 HE ARG 110 HE ARG 110 0.250 12.556 0.556 820 HH11 ARG 110 1HH2 ARG 110 1.884 10.194 -1.396 821 HH12 ARG 110 2HH2 ARG 110 2.820 11.364 -2.262 822 HH21 ARG 110 1HH1 ARG 110 1.481 14.079 -0.570 823 HH22 ARG 110 2HH1 ARG 110 2.592 13.563 -1.795 824 H ILE 111 H ILE 111 -3.477 11.190 3.549 825 HA ILE 111 HA ILE 111 -5.973 10.670 2.106 826 HB ILE 111 HB ILE 111 -5.142 13.232 3.568 827 HG12 ILE 111 1HG1 ILE 111 -4.811 11.384 5.149 828 HG13 ILE 111 2HG1 ILE 111 -6.265 12.262 5.593 829 HG21 ILE 111 1HG2 ILE 111 -7.587 13.507 3.851 830 HG22 ILE 111 2HG2 ILE 111 -7.879 12.004 2.977 831 HG23 ILE 111 3HG2 ILE 111 -7.170 13.386 2.143 832 HD11 ILE 111 3HD1 ILE 111 -6.043 9.541 4.279 833 HD12 ILE 111 1HD1 ILE 111 -7.562 10.441 4.280 834 HD13 ILE 111 2HD1 ILE 111 -6.820 9.962 5.798 835 H VAL 112 H VAL 112 -5.656 10.801 -0.066 836 HA VAL 112 HA VAL 112 -4.063 12.958 -1.259 837 HB VAL 112 HB VAL 112 -4.635 11.809 -3.416 838 HG11 VAL 112 1HG1 VAL 112 -3.622 9.942 -1.221 839 HG12 VAL 112 2HG1 VAL 112 -2.637 11.108 -2.106 840 HG13 VAL 112 3HG1 VAL 112 -3.349 9.737 -2.953 841 HG21 VAL 112 3HG2 VAL 112 -6.134 9.864 -1.597 842 HG22 VAL 112 1HG2 VAL 112 -5.837 9.633 -3.316 843 HG23 VAL 112 2HG2 VAL 112 -6.880 10.938 -2.776 844 H LYS 113 H LYS 113 -4.869 14.617 -2.483 845 HA LYS 113 HA LYS 113 -7.820 15.081 -2.389 846 HB2 LYS 113 1HB LYS 113 -6.493 16.564 -0.875 847 HB3 LYS 113 2HB LYS 113 -5.607 17.175 -2.264 848 HG2 LYS 113 1HG LYS 113 -7.678 18.045 -3.267 849 HG3 LYS 113 2HG LYS 113 -8.656 17.332 -1.992 850 HD2 LYS 113 1HD LYS 113 -6.467 19.336 -1.267 851 HD3 LYS 113 2HD LYS 113 -8.018 19.914 -1.866 852 HE2 LYS 113 1HE LYS 113 -7.674 18.117 0.570 853 HE3 LYS 113 2HE LYS 113 -7.984 19.849 0.609 854 HZ1 LYS 113 3HZ LYS 113 -10.114 19.240 0.634 855 HZ2 LYS 113 1HZ LYS 113 -9.792 17.670 0.081 856 HZ3 LYS 113 2HZ LYS 113 -9.920 18.951 -1.028 857 H VAL 114 H VAL 114 -8.797 15.468 -4.246 858 HA VAL 114 HA VAL 114 -7.190 15.984 -6.718 859 HB VAL 114 HB VAL 114 -8.913 14.646 -7.925 860 HG11 VAL 114 1HG1 VAL 114 -7.570 13.180 -5.605 861 HG12 VAL 114 2HG1 VAL 114 -6.811 13.571 -7.151 862 HG13 VAL 114 3HG1 VAL 114 -8.150 12.428 -7.094 863 HG21 VAL 114 3HG2 VAL 114 -10.827 14.906 -6.379 864 HG22 VAL 114 1HG2 VAL 114 -9.954 14.050 -5.109 865 HG23 VAL 114 2HG2 VAL 114 -10.455 13.209 -6.566 866 H LEU 115 H LEU 115 -7.795 17.612 -7.959 867 HA LEU 115 HA LEU 115 -9.858 19.442 -6.985 868 HB2 LEU 115 1HB LEU 115 -7.720 19.542 -9.144 869 HB3 LEU 115 2HB LEU 115 -8.985 20.769 -9.098 870 HG LEU 115 HG LEU 115 -8.337 21.379 -6.772 871 HD11 LEU 115 1HD1 LEU 115 -7.483 19.317 -5.878 872 HD12 LEU 115 2HD1 LEU 115 -6.142 20.447 -5.872 873 HD13 LEU 115 3HD1 LEU 115 -6.233 19.200 -7.118 874 HD21 LEU 115 3HD2 LEU 115 -6.168 22.431 -7.324 875 HD22 LEU 115 1HD2 LEU 115 -7.285 22.549 -8.684 876 HD23 LEU 115 2HD2 LEU 115 -5.984 21.353 -8.711 877 H GLU 116 H GLU 116 -11.854 19.605 -7.771 878 HA GLU 116 HA GLU 116 -12.957 17.699 -9.548 879 HB2 GLU 116 1HB GLU 116 -14.994 19.156 -9.448 880 HB3 GLU 116 2HB GLU 116 -14.325 18.798 -7.854 881 HG2 GLU 116 1HG GLU 116 -13.167 21.004 -7.845 882 HG3 GLU 116 2HG GLU 116 -13.865 21.372 -9.420 883 H HIS 117 H HIS 117 -13.528 17.819 -11.705 884 HA HIS 117 HA HIS 117 -11.911 19.488 -13.386 885 HB2 HIS 117 1HB HIS 117 -12.641 17.190 -14.018 886 HB3 HIS 117 2HB HIS 117 -14.305 17.752 -14.141 887 HD1 HIS 117 HD1 HIS 117 -14.927 18.278 -16.495 888 HD2 HIS 117 HD2 HIS 117 -10.898 19.073 -15.785 889 HE1 HIS 117 HE1 HIS 117 -13.977 19.161 -18.671 890 HE2 HIS 117 HE2 HIS 117 -11.519 19.651 -18.254 891 H HIS 118 H HIS 118 -12.330 21.642 -13.400 892 HA HIS 118 HA HIS 118 -14.874 22.835 -12.989 893 HB2 HIS 118 1HB HIS 118 -12.372 23.971 -14.314 894 HB3 HIS 118 2HB HIS 118 -13.744 24.918 -13.728 895 HD1 HIS 118 HD1 HIS 118 -14.268 24.549 -11.050 896 HD2 HIS 118 HD2 HIS 118 -10.453 23.519 -12.377 897 HE1 HIS 118 HE1 HIS 118 -12.796 24.454 -8.990 898 HE2 HIS 118 HE2 HIS 118 -10.465 23.828 -9.784 899 H HIS 119 H HIS 119 -16.475 23.318 -14.386 900 HA HIS 119 HA HIS 119 -16.112 23.650 -17.217 901 HB2 HIS 119 1HB HIS 119 -15.941 21.160 -17.062 902 HB3 HIS 119 2HB HIS 119 -17.523 21.104 -16.293 903 HD1 HIS 119 HD1 HIS 119 -15.896 22.147 -19.574 904 HD2 HIS 119 HD2 HIS 119 -19.669 21.155 -18.099 905 HE1 HIS 119 HE1 HIS 119 -17.442 22.034 -21.577 906 HE2 HIS 119 HE2 HIS 119 -19.745 21.431 -20.695 907 H HIS 120 H HIS 120 -18.391 22.870 -14.594 908 HA HIS 120 HA HIS 120 -20.495 23.615 -14.115 909 HB2 HIS 120 1HB HIS 120 -19.203 25.738 -13.893 910 HB3 HIS 120 2HB HIS 120 -19.547 26.117 -15.577 911 HD1 HIS 120 HD1 HIS 120 -21.748 27.253 -16.055 912 HD2 HIS 120 HD2 HIS 120 -21.660 25.569 -12.243 913 HE1 HIS 120 HE1 HIS 120 -23.881 27.981 -14.900 914 HE2 HIS 120 HE2 HIS 120 -23.843 26.963 -12.574 915 H HIS 121 H HIS 121 -21.877 22.318 -15.281 916 HA HIS 121 HA HIS 121 -22.247 22.273 -18.058 917 HB2 HIS 121 1HB HIS 121 -24.268 21.636 -15.871 918 HB3 HIS 121 2HB HIS 121 -24.379 21.111 -17.552 919 HD1 HIS 121 HD1 HIS 121 -22.254 20.633 -14.447 920 HD2 HIS 121 HD2 HIS 121 -22.796 18.877 -18.189 921 HE1 HIS 121 HE1 HIS 121 -20.935 18.469 -14.423 922 HE2 HIS 121 HE2 HIS 121 -21.257 17.388 -16.697 923 H HIS 122 H HIS 122 -22.924 23.873 -19.351 924 HA HIS 122 HA HIS 122 -24.150 26.274 -18.478 925 HB2 HIS 122 1HB HIS 122 -24.444 26.701 -20.932 926 HB3 HIS 122 2HB HIS 122 -22.809 26.184 -20.523 927 HD1 HIS 122 HD1 HIS 122 -25.783 25.211 -22.490 928 HD2 HIS 122 HD2 HIS 122 -22.249 23.409 -21.208 929 HE1 HIS 122 HE1 HIS 122 -25.520 23.097 -23.861 930 HE2 HIS 122 HE2 HIS 122 -23.369 21.987 -23.090 Start of MODEL 4 1 H1 MET 1 1H MET 1 13.022 10.124 0.455 2 H2 MET 1 2H MET 1 14.465 9.767 1.279 3 H3 MET 1 3H MET 1 13.280 10.738 2.015 4 HA MET 1 HA MET 1 13.265 7.825 1.548 5 HB2 MET 1 1HB MET 1 12.587 9.642 3.903 6 HB3 MET 1 2HB MET 1 12.478 7.882 3.939 7 HG2 MET 1 1HG MET 1 14.905 7.717 3.467 8 HG3 MET 1 2HG MET 1 15.018 9.478 3.430 9 HE1 MET 1 3HE MET 1 16.942 8.023 5.173 10 HE2 MET 1 1HE MET 1 16.823 8.865 6.725 11 HE3 MET 1 2HE MET 1 16.761 9.774 5.216 12 H ASP 2 H ASP 2 11.306 10.733 1.669 13 HA ASP 2 HA ASP 2 9.086 11.146 1.280 14 HB2 ASP 2 1HB ASP 2 9.278 8.573 -0.336 15 HB3 ASP 2 2HB ASP 2 8.012 9.783 -0.481 16 H LEU 3 H LEU 3 6.774 9.998 1.352 17 HA LEU 3 HA LEU 3 6.559 8.892 3.990 18 HB2 LEU 3 1HB LEU 3 4.596 9.627 1.823 19 HB3 LEU 3 2HB LEU 3 4.011 8.651 3.168 20 HG LEU 3 HG LEU 3 4.769 10.400 4.772 21 HD11 LEU 3 1HD1 LEU 3 6.650 11.386 3.602 22 HD12 LEU 3 2HD1 LEU 3 5.457 12.657 3.832 23 HD13 LEU 3 3HD1 LEU 3 5.627 11.886 2.254 24 HD21 LEU 3 3HD2 LEU 3 3.029 11.502 2.525 25 HD22 LEU 3 1HD2 LEU 3 3.078 12.115 4.180 26 HD23 LEU 3 2HD2 LEU 3 2.460 10.496 3.859 27 HA PRO 4 HA PRO 4 6.778 4.480 3.290 28 HB2 PRO 4 1HB PRO 4 4.062 4.255 4.650 29 HB3 PRO 4 2HB PRO 4 5.540 3.306 4.951 30 HG2 PRO 4 1HG PRO 4 4.899 5.238 6.626 31 HG3 PRO 4 2HG PRO 4 6.583 5.085 6.091 32 HD2 PRO 4 1HD PRO 4 4.489 7.081 5.153 33 HD3 PRO 4 2HD PRO 4 6.205 7.331 5.526 34 H ILE 5 H ILE 5 3.831 6.157 2.453 35 HA ILE 5 HA ILE 5 3.139 4.118 0.373 36 HB ILE 5 HB ILE 5 1.381 6.238 1.677 37 HG12 ILE 5 1HG1 ILE 5 1.294 3.187 2.002 38 HG13 ILE 5 2HG1 ILE 5 2.078 4.249 3.162 39 HG21 ILE 5 1HG2 ILE 5 0.621 5.767 -0.627 40 HG22 ILE 5 2HG2 ILE 5 -0.473 4.961 0.483 41 HG23 ILE 5 3HG2 ILE 5 0.763 4.030 -0.355 42 HD11 ILE 5 3HD1 ILE 5 -0.266 3.596 3.768 43 HD12 ILE 5 1HD1 ILE 5 -0.845 4.536 2.401 44 HD13 ILE 5 2HD1 ILE 5 0.026 5.332 3.715 45 H THR 6 H THR 6 3.204 4.675 -1.703 46 HA THR 6 HA THR 6 3.246 7.522 -2.544 47 HB THR 6 HB THR 6 5.223 7.187 -3.948 48 HG1 THR 6 HG1 THR 6 4.810 4.567 -3.190 49 HG21 THR 6 3HG2 THR 6 5.913 6.148 -1.175 50 HG22 THR 6 1HG2 THR 6 5.510 7.840 -1.477 51 HG23 THR 6 2HG2 THR 6 6.932 7.120 -2.233 52 H LEU 7 H LEU 7 2.224 7.867 -4.433 53 HA LEU 7 HA LEU 7 1.506 5.573 -6.190 54 HB2 LEU 7 1HB LEU 7 -0.808 6.702 -6.429 55 HB3 LEU 7 2HB LEU 7 -0.519 5.823 -4.938 56 HG LEU 7 HG LEU 7 0.233 8.761 -4.847 57 HD11 LEU 7 1HD1 LEU 7 -2.117 9.487 -4.450 58 HD12 LEU 7 2HD1 LEU 7 -2.675 7.883 -4.930 59 HD13 LEU 7 3HD1 LEU 7 -1.870 8.923 -6.102 60 HD21 LEU 7 3HD2 LEU 7 -0.695 8.591 -2.578 61 HD22 LEU 7 1HD2 LEU 7 0.380 7.222 -2.860 62 HD23 LEU 7 2HD2 LEU 7 -1.365 6.997 -2.934 63 H SER 8 H SER 8 0.928 6.161 -8.332 64 HA SER 8 HA SER 8 2.509 8.381 -9.373 65 HB2 SER 8 1HB SER 8 0.832 6.261 -10.767 66 HB3 SER 8 2HB SER 8 1.913 7.402 -11.569 67 HG SER 8 HG SER 8 3.611 6.348 -10.801 68 H LYS 9 H LYS 9 1.614 10.363 -9.390 69 HA LYS 9 HA LYS 9 -1.093 10.784 -10.492 70 HB2 LYS 9 1HB LYS 9 -1.642 12.315 -8.566 71 HB3 LYS 9 2HB LYS 9 -1.534 10.614 -8.107 72 HG2 LYS 9 1HG LYS 9 0.740 10.943 -7.232 73 HG3 LYS 9 2HG LYS 9 0.735 12.625 -7.755 74 HD2 LYS 9 1HD LYS 9 -1.150 13.109 -6.217 75 HD3 LYS 9 2HD LYS 9 -1.167 11.423 -5.699 76 HE2 LYS 9 1HE LYS 9 0.080 12.848 -4.084 77 HE3 LYS 9 2HE LYS 9 1.143 11.656 -4.832 78 HZ1 LYS 9 3HZ LYS 9 2.338 13.244 -5.803 79 HZ2 LYS 9 1HZ LYS 9 1.569 14.339 -4.760 80 HZ3 LYS 9 2HZ LYS 9 0.966 14.095 -6.330 81 H GLU 10 H GLU 10 1.087 11.255 -11.934 82 HA GLU 10 HA GLU 10 2.396 13.725 -11.650 83 HB2 GLU 10 1HB GLU 10 3.003 11.885 -13.267 84 HB3 GLU 10 2HB GLU 10 1.631 12.351 -14.263 85 HG2 GLU 10 1HG GLU 10 3.663 13.367 -15.179 86 HG3 GLU 10 2HG GLU 10 2.651 14.646 -14.521 87 H THR 11 H THR 11 -0.651 12.933 -13.273 88 HA THR 11 HA THR 11 -1.377 15.844 -13.408 89 HB THR 11 HB THR 11 -2.616 15.317 -15.452 90 HG1 THR 11 HG1 THR 11 -3.120 13.323 -15.750 91 HG21 THR 11 3HG2 THR 11 0.222 14.228 -15.607 92 HG22 THR 11 1HG2 THR 11 -0.193 15.943 -15.647 93 HG23 THR 11 2HG2 THR 11 -0.716 14.876 -16.951 94 HA PRO 12 HA PRO 12 -4.328 13.605 -10.498 95 HB2 PRO 12 1HB PRO 12 -4.779 16.574 -9.967 96 HB3 PRO 12 2HB PRO 12 -4.813 15.221 -8.805 97 HG2 PRO 12 1HG PRO 12 -2.652 16.716 -8.898 98 HG3 PRO 12 2HG PRO 12 -2.450 14.945 -8.902 99 HD2 PRO 12 1HD PRO 12 -2.269 16.848 -11.274 100 HD3 PRO 12 2HD PRO 12 -1.218 15.466 -10.876 101 H PHE 13 H PHE 13 -6.198 12.894 -11.407 102 HA PHE 13 HA PHE 13 -8.266 14.673 -12.322 103 HB2 PHE 13 1HB PHE 13 -6.689 14.703 -14.289 104 HB3 PHE 13 2HB PHE 13 -6.891 12.960 -14.451 105 HD1 PHE 13 HD2 PHE 13 -8.683 16.234 -14.562 106 HD2 PHE 13 HD1 PHE 13 -8.949 12.036 -15.468 107 HE1 PHE 13 HE2 PHE 13 -10.774 16.639 -15.825 108 HE2 PHE 13 HE1 PHE 13 -11.044 12.447 -16.727 109 HZ PHE 13 HZ PHE 13 -11.957 14.746 -16.906 110 H GLU 14 H GLU 14 -10.098 13.669 -11.755 111 HA GLU 14 HA GLU 14 -10.292 11.028 -10.842 112 HB2 GLU 14 1HB GLU 14 -12.736 11.397 -10.893 113 HB3 GLU 14 2HB GLU 14 -11.897 12.816 -10.278 114 HG2 GLU 14 1HG GLU 14 -13.498 13.737 -11.797 115 HG3 GLU 14 2HG GLU 14 -12.003 13.740 -12.724 116 H GLY 15 H GLY 15 -11.029 9.105 -11.776 117 HA2 GLY 15 1HA GLY 15 -11.767 7.652 -13.460 118 HA3 GLY 15 2HA GLY 15 -11.767 8.961 -14.620 119 H GLU 16 H GLU 16 -8.960 9.706 -13.748 120 HA GLU 16 HA GLU 16 -7.552 8.130 -15.690 121 HB2 GLU 16 1HB GLU 16 -7.016 10.539 -15.094 122 HB3 GLU 16 2HB GLU 16 -6.352 9.971 -13.568 123 HG2 GLU 16 1HG GLU 16 -4.508 10.265 -15.143 124 HG3 GLU 16 2HG GLU 16 -4.717 8.538 -14.881 125 H GLU 17 H GLU 17 -6.134 6.455 -15.427 126 HA GLU 17 HA GLU 17 -6.399 4.855 -13.052 127 HB2 GLU 17 1HB GLU 17 -6.166 3.914 -15.365 128 HB3 GLU 17 2HB GLU 17 -4.494 4.468 -15.400 129 HG2 GLU 17 1HG GLU 17 -3.995 3.047 -13.414 130 HG3 GLU 17 2HG GLU 17 -5.669 2.499 -13.386 131 H ILE 18 H ILE 18 -5.008 4.612 -11.385 132 HA ILE 18 HA ILE 18 -2.381 6.032 -11.414 133 HB ILE 18 HB ILE 18 -2.803 6.757 -9.072 134 HG12 ILE 18 1HG1 ILE 18 -5.714 5.911 -9.545 135 HG13 ILE 18 2HG1 ILE 18 -4.591 4.994 -8.552 136 HG21 ILE 18 1HG2 ILE 18 -3.236 8.311 -10.957 137 HG22 ILE 18 2HG2 ILE 18 -4.364 8.609 -9.641 138 HG23 ILE 18 3HG2 ILE 18 -4.895 7.723 -11.069 139 HD11 ILE 18 3HD1 ILE 18 -4.274 6.969 -7.082 140 HD12 ILE 18 1HD1 ILE 18 -5.956 6.443 -7.134 141 HD13 ILE 18 2HD1 ILE 18 -5.451 7.860 -8.048 142 H THR 19 H THR 19 -0.773 5.108 -10.217 143 HA THR 19 HA THR 19 -1.141 2.252 -9.568 144 HB THR 19 HB THR 19 1.421 3.904 -9.734 145 HG1 THR 19 HG1 THR 19 1.533 3.215 -11.802 146 HG21 THR 19 3HG2 THR 19 1.676 1.795 -8.449 147 HG22 THR 19 1HG2 THR 19 2.490 1.672 -10.008 148 HG23 THR 19 2HG2 THR 19 0.927 0.895 -9.768 149 H VAL 20 H VAL 20 -0.854 1.429 -7.542 150 HA VAL 20 HA VAL 20 -0.343 3.369 -5.289 151 HB VAL 20 HB VAL 20 -2.189 0.930 -5.237 152 HG11 VAL 20 1HG1 VAL 20 -1.691 3.169 -3.214 153 HG12 VAL 20 2HG1 VAL 20 -1.201 1.487 -3.020 154 HG13 VAL 20 3HG1 VAL 20 -2.910 1.905 -3.046 155 HG21 VAL 20 3HG2 VAL 20 -3.127 2.727 -6.664 156 HG22 VAL 20 1HG2 VAL 20 -2.840 3.911 -5.386 157 HG23 VAL 20 2HG2 VAL 20 -4.023 2.624 -5.152 158 H SER 21 H SER 21 1.361 2.894 -4.112 159 HA SER 21 HA SER 21 2.331 0.084 -3.882 160 HB2 SER 21 1HB SER 21 4.471 0.621 -4.686 161 HB3 SER 21 2HB SER 21 3.523 1.741 -5.648 162 HG SER 21 HG SER 21 5.416 2.272 -3.862 163 H ALA 22 H ALA 22 2.716 -0.465 -1.864 164 HA ALA 22 HA ALA 22 2.997 1.636 0.260 165 HB1 ALA 22 3HB ALA 22 1.940 -0.005 1.763 166 HB2 ALA 22 1HB ALA 22 1.818 -1.161 0.432 167 HB3 ALA 22 2HB ALA 22 0.897 0.340 0.381 168 H ARG 23 H ARG 23 4.810 1.600 1.445 169 HA ARG 23 HA ARG 23 6.849 -0.482 0.954 170 HB2 ARG 23 1HB ARG 23 6.947 2.109 2.538 171 HB3 ARG 23 2HB ARG 23 8.315 1.016 2.309 172 HG2 ARG 23 1HG ARG 23 8.165 1.314 -0.148 173 HG3 ARG 23 2HG ARG 23 6.789 2.398 0.057 174 HD2 ARG 23 1HD ARG 23 8.211 3.960 1.349 175 HD3 ARG 23 2HD ARG 23 9.586 2.874 1.154 176 HE ARG 23 HE ARG 23 8.591 3.468 -1.412 177 HH11 ARG 23 1HH2 ARG 23 10.099 5.054 1.281 178 HH12 ARG 23 2HH2 ARG 23 10.878 6.260 0.311 179 HH21 ARG 23 1HH1 ARG 23 9.628 5.058 -2.684 180 HH22 ARG 23 2HH1 ARG 23 10.614 6.260 -1.921 181 H VAL 24 H VAL 24 6.893 -2.214 2.148 182 HA VAL 24 HA VAL 24 5.775 -2.182 4.909 183 HB VAL 24 HB VAL 24 6.417 -4.547 3.089 184 HG11 VAL 24 1HG1 VAL 24 4.971 -5.779 4.734 185 HG12 VAL 24 2HG1 VAL 24 4.902 -4.328 5.731 186 HG13 VAL 24 3HG1 VAL 24 6.435 -5.156 5.483 187 HG21 VAL 24 3HG2 VAL 24 3.923 -4.651 2.810 188 HG22 VAL 24 1HG2 VAL 24 4.604 -3.179 2.127 189 HG23 VAL 24 2HG2 VAL 24 3.774 -3.130 3.684 190 H THR 25 H THR 25 7.073 -2.479 6.612 191 HA THR 25 HA THR 25 9.982 -2.871 6.168 192 HB THR 25 HB THR 25 8.467 -1.843 8.594 193 HG1 THR 25 HG1 THR 25 9.467 0.139 7.850 194 HG21 THR 25 3HG2 THR 25 10.625 -2.781 9.282 195 HG22 THR 25 1HG2 THR 25 10.761 -1.025 9.261 196 HG23 THR 25 2HG2 THR 25 11.449 -1.974 7.948 197 H ASN 26 H ASN 26 10.917 -4.732 6.699 198 HA ASN 26 HA ASN 26 9.366 -6.857 8.025 199 HB2 ASN 26 1HB ASN 26 10.650 -7.362 5.986 200 HB3 ASN 26 2HB ASN 26 12.149 -6.920 6.790 201 HD21 ASN 26 2HD2 ASN 26 13.215 -8.639 7.842 202 HD22 ASN 26 1HD2 ASN 26 12.493 -10.123 8.241 203 H ARG 27 H ARG 27 9.467 -7.152 10.135 204 HA ARG 27 HA ARG 27 11.832 -6.193 11.699 205 HB2 ARG 27 1HB ARG 27 8.939 -6.581 12.578 206 HB3 ARG 27 2HB ARG 27 10.248 -5.936 13.569 207 HG2 ARG 27 1HG ARG 27 9.171 -4.642 11.023 208 HG3 ARG 27 2HG ARG 27 8.775 -4.136 12.658 209 HD2 ARG 27 1HD ARG 27 11.290 -3.735 13.026 210 HD3 ARG 27 2HD ARG 27 11.482 -3.939 11.288 211 HE ARG 27 HE ARG 27 10.583 -1.846 10.967 212 HH11 ARG 27 1HH2 ARG 27 9.774 -2.961 14.162 213 HH12 ARG 27 2HH2 ARG 27 9.049 -1.463 14.639 214 HH21 ARG 27 1HH1 ARG 27 9.618 0.106 11.608 215 HH22 ARG 27 2HH1 ARG 27 8.962 0.262 13.204 216 H GLY 28 H GLY 28 12.945 -7.609 12.833 217 HA2 GLY 28 1HA GLY 28 12.104 -9.846 14.193 218 HA3 GLY 28 2HA GLY 28 12.467 -10.441 12.571 219 H ALA 29 H ALA 29 14.438 -11.312 12.494 220 HA ALA 29 HA ALA 29 16.808 -9.854 13.269 221 HB1 ALA 29 3HB ALA 29 17.599 -11.445 14.988 222 HB2 ALA 29 1HB ALA 29 16.077 -12.332 14.873 223 HB3 ALA 29 2HB ALA 29 16.089 -10.681 15.490 224 H ALA 30 H ALA 30 15.256 -11.883 11.309 225 HA ALA 30 HA ALA 30 17.748 -12.941 10.131 226 HB1 ALA 30 3HB ALA 30 16.818 -15.223 9.960 227 HB2 ALA 30 1HB ALA 30 15.386 -14.717 10.863 228 HB3 ALA 30 2HB ALA 30 16.963 -14.736 11.650 229 H GLU 31 H GLU 31 17.403 -13.791 7.972 230 HA GLU 31 HA GLU 31 15.908 -12.029 6.353 231 HB2 GLU 31 1HB GLU 31 17.021 -14.787 5.677 232 HB3 GLU 31 2HB GLU 31 16.399 -13.640 4.491 233 HG2 GLU 31 1HG GLU 31 18.819 -13.396 4.537 234 HG3 GLU 31 2HG GLU 31 18.129 -11.961 5.290 235 H ALA 32 H ALA 32 13.768 -11.923 6.093 236 HA ALA 32 HA ALA 32 12.024 -14.232 6.709 237 HB1 ALA 32 3HB ALA 32 10.218 -12.546 6.688 238 HB2 ALA 32 1HB ALA 32 11.369 -11.303 6.185 239 HB3 ALA 32 2HB ALA 32 11.519 -12.053 7.773 240 H HIS 33 H HIS 33 10.366 -14.853 5.259 241 HA HIS 33 HA HIS 33 10.501 -13.934 2.451 242 HB2 HIS 33 1HB HIS 33 10.796 -16.855 3.274 243 HB3 HIS 33 2HB HIS 33 10.704 -16.242 1.620 244 HD1 HIS 33 HD1 HIS 33 13.006 -16.538 4.556 245 HD2 HIS 33 HD2 HIS 33 13.082 -14.878 0.730 246 HE1 HIS 33 HE1 HIS 33 15.421 -15.943 4.081 247 HE2 HIS 33 HE2 HIS 33 15.485 -14.927 1.755 248 H ASN 34 H ASN 34 8.794 -15.194 1.179 249 HA ASN 34 HA ASN 34 6.526 -15.373 0.812 250 HB2 ASN 34 1HB ASN 34 7.019 -17.554 1.879 251 HB3 ASN 34 2HB ASN 34 6.656 -16.863 3.457 252 HD21 ASN 34 2HD2 ASN 34 5.110 -17.249 0.214 253 HD22 ASN 34 1HD2 ASN 34 3.547 -17.496 0.829 254 H VAL 35 H VAL 35 6.719 -12.951 1.332 255 HA VAL 35 HA VAL 35 4.898 -12.199 3.601 256 HB VAL 35 HB VAL 35 7.013 -10.494 2.224 257 HG11 VAL 35 1HG1 VAL 35 5.141 -9.166 3.182 258 HG12 VAL 35 2HG1 VAL 35 6.596 -8.952 4.146 259 HG13 VAL 35 3HG1 VAL 35 5.311 -10.015 4.718 260 HG21 VAL 35 3HG2 VAL 35 8.219 -10.776 4.452 261 HG22 VAL 35 1HG2 VAL 35 8.106 -12.267 3.521 262 HG23 VAL 35 2HG2 VAL 35 7.032 -11.992 4.894 263 HA PRO 36 HA PRO 36 2.756 -11.043 -0.337 264 HB2 PRO 36 1HB PRO 36 0.313 -12.120 0.067 265 HB3 PRO 36 2HB PRO 36 1.693 -13.143 -0.402 266 HG2 PRO 36 1HG PRO 36 0.493 -12.738 2.331 267 HG3 PRO 36 2HG PRO 36 1.032 -14.246 1.564 268 HD2 PRO 36 1HD PRO 36 2.597 -12.791 3.382 269 HD3 PRO 36 2HD PRO 36 3.286 -13.891 2.167 270 H VAL 37 H VAL 37 2.252 -8.966 -0.381 271 HA VAL 37 HA VAL 37 1.051 -7.618 1.927 272 HB VAL 37 HB VAL 37 1.885 -6.418 -0.763 273 HG11 VAL 37 1HG1 VAL 37 0.416 -4.968 0.628 274 HG12 VAL 37 2HG1 VAL 37 2.054 -4.325 0.577 275 HG13 VAL 37 3HG1 VAL 37 1.493 -5.188 2.008 276 HG21 VAL 37 3HG2 VAL 37 4.013 -5.828 0.451 277 HG22 VAL 37 1HG2 VAL 37 3.818 -7.562 0.211 278 HG23 VAL 37 2HG2 VAL 37 3.496 -6.851 1.791 279 H ALA 38 H ALA 38 -0.962 -6.731 1.963 280 HA ALA 38 HA ALA 38 -2.755 -7.104 -0.407 281 HB1 ALA 38 3HB ALA 38 -3.422 -7.590 2.526 282 HB2 ALA 38 1HB ALA 38 -3.181 -8.845 1.311 283 HB3 ALA 38 2HB ALA 38 -4.542 -7.731 1.167 284 H VAL 39 H VAL 39 -3.290 -5.135 -1.075 285 HA VAL 39 HA VAL 39 -3.670 -2.915 0.871 286 HB VAL 39 HB VAL 39 -3.253 -2.751 -2.153 287 HG11 VAL 39 1HG1 VAL 39 -3.032 -0.646 0.048 288 HG12 VAL 39 2HG1 VAL 39 -4.366 -0.777 -1.096 289 HG13 VAL 39 3HG1 VAL 39 -2.752 -0.376 -1.674 290 HG21 VAL 39 3HG2 VAL 39 -1.241 -3.734 -1.101 291 HG22 VAL 39 1HG2 VAL 39 -1.224 -2.447 0.108 292 HG23 VAL 39 2HG2 VAL 39 -0.912 -2.075 -1.588 293 H TYR 40 H TYR 40 -5.553 -1.780 0.866 294 HA TYR 40 HA TYR 40 -7.693 -2.364 -1.063 295 HB2 TYR 40 1HB TYR 40 -9.301 -2.987 0.773 296 HB3 TYR 40 2HB TYR 40 -8.026 -4.182 0.527 297 HD1 TYR 40 HD1 TYR 40 -9.224 -1.450 2.761 298 HD2 TYR 40 HD2 TYR 40 -6.250 -4.535 2.217 299 HE1 TYR 40 HE1 TYR 40 -8.487 -1.174 5.112 300 HE2 TYR 40 HE2 TYR 40 -5.539 -4.248 4.574 301 HH TYR 40 HH TYR 40 -5.966 -1.764 6.321 302 H LEU 41 H LEU 41 -9.168 -0.743 -1.222 303 HA LEU 41 HA LEU 41 -8.509 1.773 0.193 304 HB2 LEU 41 1HB LEU 41 -8.608 1.760 -2.279 305 HB3 LEU 41 2HB LEU 41 -10.302 1.300 -2.217 306 HG LEU 41 HG LEU 41 -9.698 3.751 -0.554 307 HD11 LEU 41 1HD1 LEU 41 -9.349 3.927 -3.554 308 HD12 LEU 41 2HD1 LEU 41 -8.099 4.198 -2.355 309 HD13 LEU 41 3HD1 LEU 41 -9.467 5.305 -2.461 310 HD21 LEU 41 3HD2 LEU 41 -12.003 2.935 -1.100 311 HD22 LEU 41 1HD2 LEU 41 -11.706 3.296 -2.801 312 HD23 LEU 41 2HD2 LEU 41 -11.731 4.600 -1.612 313 H GLY 42 H GLY 42 -9.747 2.575 1.746 314 HA2 GLY 42 1HA GLY 42 -12.047 3.171 2.454 315 HA3 GLY 42 2HA GLY 42 -12.495 1.485 2.226 316 H ASN 43 H ASN 43 -13.159 1.446 4.413 317 HA ASN 43 HA ASN 43 -11.030 1.600 6.485 318 HB2 ASN 43 1HB ASN 43 -14.052 1.537 6.683 319 HB3 ASN 43 2HB ASN 43 -12.959 1.660 8.062 320 HD21 ASN 43 2HD2 ASN 43 -13.427 3.352 4.872 321 HD22 ASN 43 1HD2 ASN 43 -13.164 4.903 5.511 322 HA PRO 44 HA PRO 44 -11.125 -2.903 6.701 323 HB2 PRO 44 1HB PRO 44 -9.949 -3.394 9.119 324 HB3 PRO 44 2HB PRO 44 -9.027 -2.677 7.774 325 HG2 PRO 44 1HG PRO 44 -10.389 -1.248 10.063 326 HG3 PRO 44 2HG PRO 44 -8.703 -1.091 9.512 327 HD2 PRO 44 1HD PRO 44 -10.582 0.697 8.692 328 HD3 PRO 44 2HD PRO 44 -9.322 0.146 7.561 329 H ALA 45 H ALA 45 -12.575 -0.973 9.265 330 HA ALA 45 HA ALA 45 -14.013 -3.045 10.598 331 HB1 ALA 45 3HB ALA 45 -15.338 -1.192 11.554 332 HB2 ALA 45 1HB ALA 45 -14.656 -0.082 10.359 333 HB3 ALA 45 2HB ALA 45 -13.616 -0.808 11.581 334 H GLN 46 H GLN 46 -14.883 -0.841 7.941 335 HA GLN 46 HA GLN 46 -17.594 -1.728 7.697 336 HB2 GLN 46 1HB GLN 46 -16.681 0.455 6.808 337 HB3 GLN 46 2HB GLN 46 -15.836 -0.446 5.557 338 HG2 GLN 46 1HG GLN 46 -17.924 0.411 4.618 339 HG3 GLN 46 2HG GLN 46 -18.069 -1.334 4.758 340 HE21 GLN 46 2HE2 GLN 46 -19.028 1.733 6.365 341 HE22 GLN 46 1HE2 GLN 46 -20.396 1.081 7.128 342 H GLY 47 H GLY 47 -14.983 -2.196 5.311 343 HA2 GLY 47 1HA GLY 47 -14.951 -4.965 5.166 344 HA3 GLY 47 2HA GLY 47 -16.251 -4.467 4.084 345 H GLY 48 H GLY 48 -12.796 -4.285 4.703 346 HA2 GLY 48 1HA GLY 48 -12.013 -2.700 2.496 347 HA3 GLY 48 2HA GLY 48 -11.001 -3.874 3.330 348 H VAL 49 H VAL 49 -11.502 -3.212 0.386 349 HA VAL 49 HA VAL 49 -12.192 -5.960 -0.592 350 HB VAL 49 HB VAL 49 -12.296 -3.319 -2.122 351 HG11 VAL 49 1HG1 VAL 49 -13.587 -4.679 -3.779 352 HG12 VAL 49 2HG1 VAL 49 -13.303 -6.119 -2.804 353 HG13 VAL 49 3HG1 VAL 49 -11.950 -5.297 -3.579 354 HG21 VAL 49 3HG2 VAL 49 -14.009 -3.362 -0.333 355 HG22 VAL 49 1HG2 VAL 49 -14.543 -4.958 -0.863 356 HG23 VAL 49 2HG2 VAL 49 -14.772 -3.554 -1.907 357 H GLU 50 H GLU 50 -10.542 -7.109 -1.326 358 HA GLU 50 HA GLU 50 -7.876 -6.092 -1.520 359 HB2 GLU 50 1HB GLU 50 -8.454 -8.467 -0.978 360 HB3 GLU 50 2HB GLU 50 -8.988 -8.707 -2.638 361 HG2 GLU 50 1HG GLU 50 -6.695 -8.161 -3.448 362 HG3 GLU 50 2HG GLU 50 -6.169 -7.911 -1.786 363 H ILE 51 H ILE 51 -6.948 -5.029 -3.162 364 HA ILE 51 HA ILE 51 -8.321 -4.837 -5.794 365 HB ILE 51 HB ILE 51 -5.973 -3.200 -4.721 366 HG12 ILE 51 1HG1 ILE 51 -8.934 -2.426 -4.887 367 HG13 ILE 51 2HG1 ILE 51 -8.152 -2.939 -3.402 368 HG21 ILE 51 1HG2 ILE 51 -6.631 -1.637 -6.587 369 HG22 ILE 51 2HG2 ILE 51 -7.834 -2.804 -7.114 370 HG23 ILE 51 3HG2 ILE 51 -6.120 -3.200 -7.203 371 HD11 ILE 51 3HD1 ILE 51 -7.421 -0.495 -5.045 372 HD12 ILE 51 1HD1 ILE 51 -6.537 -1.040 -3.619 373 HD13 ILE 51 2HD1 ILE 51 -8.210 -0.504 -3.471 374 H GLY 52 H GLY 52 -5.189 -5.658 -4.351 375 HA2 GLY 52 1HA GLY 52 -4.601 -7.671 -6.249 376 HA3 GLY 52 2HA GLY 52 -3.749 -6.200 -6.696 377 H ARG 53 H ARG 53 -2.389 -8.499 -6.020 378 HA ARG 53 HA ARG 53 -0.849 -7.606 -3.682 379 HB2 ARG 53 1HB ARG 53 -0.958 -9.905 -2.658 380 HB3 ARG 53 2HB ARG 53 -2.509 -9.066 -2.636 381 HG2 ARG 53 1HG ARG 53 -3.236 -10.308 -4.652 382 HG3 ARG 53 2HG ARG 53 -1.687 -11.146 -4.709 383 HD2 ARG 53 1HD ARG 53 -3.616 -11.307 -2.360 384 HD3 ARG 53 2HD ARG 53 -3.510 -12.509 -3.648 385 HE ARG 53 HE ARG 53 -0.929 -12.126 -2.576 386 HH11 ARG 53 1HH2 ARG 53 -4.039 -13.395 -1.646 387 HH12 ARG 53 2HH2 ARG 53 -3.373 -14.576 -0.568 388 HH21 ARG 53 1HH1 ARG 53 -0.085 -13.689 -1.174 389 HH22 ARG 53 2HH1 ARG 53 -1.150 -14.741 -0.303 390 H ASP 54 H ASP 54 1.147 -8.838 -3.441 391 HA ASP 54 HA ASP 54 2.099 -10.534 -5.571 392 HB2 ASP 54 1HB ASP 54 2.121 -8.275 -6.685 393 HB3 ASP 54 2HB ASP 54 3.232 -7.699 -5.451 394 H THR 55 H THR 55 3.339 -11.901 -4.441 395 HA THR 55 HA THR 55 4.557 -11.187 -1.920 396 HB THR 55 HB THR 55 4.983 -13.710 -3.583 397 HG1 THR 55 HG1 THR 55 2.931 -12.820 -1.912 398 HG21 THR 55 3HG2 THR 55 5.486 -14.737 -1.377 399 HG22 THR 55 1HG2 THR 55 5.274 -13.170 -0.597 400 HG23 THR 55 2HG2 THR 55 6.609 -13.422 -1.720 401 H ILE 56 H ILE 56 6.645 -10.715 -1.488 402 HA ILE 56 HA ILE 56 8.281 -9.787 -3.689 403 HB ILE 56 HB ILE 56 9.073 -9.980 -0.741 404 HG12 ILE 56 1HG1 ILE 56 6.918 -8.793 -0.819 405 HG13 ILE 56 2HG1 ILE 56 8.211 -7.644 -0.504 406 HG21 ILE 56 1HG2 ILE 56 10.505 -8.018 -1.368 407 HG22 ILE 56 2HG2 ILE 56 9.979 -8.168 -3.030 408 HG23 ILE 56 3HG2 ILE 56 10.919 -9.460 -2.282 409 HD11 ILE 56 3HD1 ILE 56 6.622 -8.026 -3.042 410 HD12 ILE 56 1HD1 ILE 56 8.165 -7.167 -3.064 411 HD13 ILE 56 2HD1 ILE 56 6.838 -6.564 -2.079 412 H SER 57 H SER 57 10.338 -10.595 -4.278 413 HA SER 57 HA SER 57 10.628 -13.423 -4.297 414 HB2 SER 57 1HB SER 57 12.694 -11.272 -4.881 415 HB3 SER 57 2HB SER 57 12.854 -12.978 -5.301 416 HG SER 57 HG SER 57 11.225 -12.779 -6.736 417 H ARG 58 H ARG 58 12.349 -10.882 -2.500 418 HA ARG 58 HA ARG 58 12.736 -12.527 -0.188 419 HB2 ARG 58 1HB ARG 58 15.234 -12.679 -0.349 420 HB3 ARG 58 2HB ARG 58 14.423 -13.615 -1.599 421 HG2 ARG 58 1HG ARG 58 14.771 -11.756 -3.219 422 HG3 ARG 58 2HG ARG 58 15.616 -10.841 -1.976 423 HD2 ARG 58 1HD ARG 58 16.500 -13.560 -3.002 424 HD3 ARG 58 2HD ARG 58 17.186 -12.015 -3.508 425 HE ARG 58 HE ARG 58 17.294 -12.122 -0.705 426 HH11 ARG 58 1HH2 ARG 58 18.676 -13.714 -3.475 427 HH12 ARG 58 2HH2 ARG 58 20.149 -14.121 -2.662 428 HH21 ARG 58 1HH1 ARG 58 19.215 -12.653 0.336 429 HH22 ARG 58 2HH1 ARG 58 20.453 -13.522 -0.508 430 H ILE 59 H ILE 59 13.104 -11.273 1.553 431 HA ILE 59 HA ILE 59 13.724 -8.382 1.117 432 HB ILE 59 HB ILE 59 12.062 -9.579 3.357 433 HG12 ILE 59 1HG1 ILE 59 11.169 -7.992 0.908 434 HG13 ILE 59 2HG1 ILE 59 10.971 -9.732 1.068 435 HG21 ILE 59 1HG2 ILE 59 12.657 -6.685 2.541 436 HG22 ILE 59 2HG2 ILE 59 13.146 -7.465 4.043 437 HG23 ILE 59 3HG2 ILE 59 11.455 -7.134 3.737 438 HD11 ILE 59 3HD1 ILE 59 9.693 -7.604 2.819 439 HD12 ILE 59 1HD1 ILE 59 9.583 -9.335 3.108 440 HD13 ILE 59 2HD1 ILE 59 8.875 -8.643 1.657 441 HA PRO 60 HA PRO 60 17.231 -9.640 3.783 442 HB2 PRO 60 1HB PRO 60 18.825 -7.458 3.582 443 HB3 PRO 60 2HB PRO 60 18.564 -8.523 2.178 444 HG2 PRO 60 1HG PRO 60 17.155 -5.934 2.842 445 HG3 PRO 60 2HG PRO 60 17.936 -6.406 1.313 446 HD2 PRO 60 1HD PRO 60 15.231 -6.678 1.679 447 HD3 PRO 60 2HD PRO 60 16.143 -7.846 0.690 448 H VAL 61 H VAL 61 18.228 -8.868 5.825 449 HA VAL 61 HA VAL 61 16.241 -7.975 7.681 450 HB VAL 61 HB VAL 61 19.252 -8.262 8.106 451 HG11 VAL 61 1HG1 VAL 61 18.595 -8.610 10.498 452 HG12 VAL 61 2HG1 VAL 61 16.919 -8.263 10.077 453 HG13 VAL 61 3HG1 VAL 61 18.143 -7.002 9.939 454 HG21 VAL 61 3HG2 VAL 61 16.990 -10.276 8.486 455 HG22 VAL 61 1HG2 VAL 61 18.678 -10.542 8.925 456 HG23 VAL 61 2HG2 VAL 61 18.229 -10.353 7.234 457 H GLY 62 H GLY 62 15.956 -6.009 8.662 458 HA2 GLY 62 1HA GLY 62 16.110 -3.748 9.040 459 HA3 GLY 62 2HA GLY 62 17.802 -3.825 8.551 460 H GLY 63 H GLY 63 15.451 -5.071 6.360 461 HA2 GLY 63 1HA GLY 63 15.745 -2.725 4.536 462 HA3 GLY 63 2HA GLY 63 15.552 -4.403 4.044 463 H THR 64 H THR 64 13.819 -3.173 2.770 464 HA THR 64 HA THR 64 11.226 -3.558 4.159 465 HB THR 64 HB THR 64 10.353 -1.420 3.426 466 HG1 THR 64 HG1 THR 64 11.327 -1.149 1.488 467 HG21 THR 64 3HG2 THR 64 11.697 0.148 4.707 468 HG22 THR 64 1HG2 THR 64 13.146 -0.825 4.479 469 HG23 THR 64 2HG2 THR 64 11.847 -1.409 5.517 470 H GLY 65 H GLY 65 9.519 -4.074 2.788 471 HA2 GLY 65 1HA GLY 65 10.250 -4.991 0.061 472 HA3 GLY 65 2HA GLY 65 8.917 -5.567 1.056 473 H LEU 66 H LEU 66 8.752 -4.640 -1.645 474 HA LEU 66 HA LEU 66 6.630 -2.650 -1.290 475 HB2 LEU 66 1HB LEU 66 8.686 -1.312 -1.642 476 HB3 LEU 66 2HB LEU 66 8.973 -2.157 -3.160 477 HG LEU 66 HG LEU 66 6.875 -1.230 -4.117 478 HD11 LEU 66 1HD1 LEU 66 5.791 0.732 -2.663 479 HD12 LEU 66 2HD1 LEU 66 6.455 -0.163 -1.323 480 HD13 LEU 66 3HD1 LEU 66 5.292 -0.932 -2.385 481 HD21 LEU 66 3HD2 LEU 66 8.970 0.086 -4.300 482 HD22 LEU 66 1HD2 LEU 66 8.589 0.892 -2.771 483 HD23 LEU 66 2HD2 LEU 66 7.568 1.150 -4.192 484 H ALA 67 H ALA 67 5.033 -2.856 -2.720 485 HA ALA 67 HA ALA 67 5.286 -4.836 -4.937 486 HB1 ALA 67 3HB ALA 67 4.002 -5.747 -3.045 487 HB2 ALA 67 1HB ALA 67 2.930 -5.430 -4.412 488 HB3 ALA 67 2HB ALA 67 2.970 -4.321 -3.038 489 H ARG 68 H ARG 68 3.807 -4.496 -6.673 490 HA ARG 68 HA ARG 68 2.993 -1.628 -7.041 491 HB2 ARG 68 1HB ARG 68 5.003 -2.261 -8.391 492 HB3 ARG 68 2HB ARG 68 4.057 -3.515 -9.188 493 HG2 ARG 68 1HG ARG 68 2.479 -1.778 -10.037 494 HG3 ARG 68 2HG ARG 68 3.415 -0.530 -9.222 495 HD2 ARG 68 1HD ARG 68 5.379 -1.091 -10.623 496 HD3 ARG 68 2HD ARG 68 4.442 -2.345 -11.436 497 HE ARG 68 HE ARG 68 3.016 0.078 -11.637 498 HH11 ARG 68 1HH2 ARG 68 5.987 -1.347 -12.776 499 HH12 ARG 68 2HH2 ARG 68 6.019 -0.411 -14.234 500 HH21 ARG 68 1HH1 ARG 68 3.083 1.288 -13.546 501 HH22 ARG 68 2HH1 ARG 68 4.386 1.070 -14.667 502 H VAL 69 H VAL 69 0.915 -1.365 -7.321 503 HA VAL 69 HA VAL 69 -0.719 -3.443 -8.667 504 HB VAL 69 HB VAL 69 -1.522 -2.064 -6.057 505 HG11 VAL 69 1HG1 VAL 69 -3.472 -2.570 -7.475 506 HG12 VAL 69 2HG1 VAL 69 -3.423 -3.732 -6.154 507 HG13 VAL 69 3HG1 VAL 69 -2.880 -4.204 -7.763 508 HG21 VAL 69 3HG2 VAL 69 0.223 -3.725 -5.593 509 HG22 VAL 69 1HG2 VAL 69 -0.597 -4.926 -6.594 510 HG23 VAL 69 2HG2 VAL 69 -1.328 -4.382 -5.083 511 H GLN 70 H GLN 70 -2.339 -2.659 -9.891 512 HA GLN 70 HA GLN 70 -2.431 0.287 -10.319 513 HB2 GLN 70 1HB GLN 70 -3.405 -0.318 -12.529 514 HB3 GLN 70 2HB GLN 70 -1.796 -0.997 -12.286 515 HG2 GLN 70 1HG GLN 70 -2.793 -3.180 -11.675 516 HG3 GLN 70 2HG GLN 70 -4.407 -2.519 -11.905 517 HE21 GLN 70 2HE2 GLN 70 -5.250 -3.172 -13.887 518 HE22 GLN 70 1HE2 GLN 70 -4.353 -3.343 -15.318 519 H TRP 71 H TRP 71 -4.310 1.410 -10.161 520 HA TRP 71 HA TRP 71 -6.849 -0.019 -9.630 521 HB2 TRP 71 1HB TRP 71 -5.809 0.525 -7.399 522 HB3 TRP 71 2HB TRP 71 -5.782 2.223 -7.842 523 HD1 TRP 71 HD1 TRP 71 -8.478 -0.576 -7.875 524 HE1 TRP 71 HE1 TRP 71 -10.688 0.418 -7.039 525 HE3 TRP 71 HE3 TRP 71 -6.981 4.205 -6.924 526 HZ2 TRP 71 HZ2 TRP 71 -11.709 2.919 -6.101 527 HZ3 TRP 71 HZ3 TRP 71 -8.593 5.882 -6.063 528 HH2 TRP 71 HH2 TRP 71 -10.956 5.243 -5.646 529 H LYS 72 H LYS 72 -8.507 0.883 -10.639 530 HA LYS 72 HA LYS 72 -8.086 3.325 -12.210 531 HB2 LYS 72 1HB LYS 72 -9.159 1.301 -13.209 532 HB3 LYS 72 2HB LYS 72 -10.521 1.496 -12.108 533 HG2 LYS 72 1HG LYS 72 -10.995 3.737 -13.071 534 HG3 LYS 72 2HG LYS 72 -9.594 3.583 -14.135 535 HD2 LYS 72 1HD LYS 72 -10.640 1.602 -15.217 536 HD3 LYS 72 2HD LYS 72 -12.046 1.775 -14.163 537 HE2 LYS 72 1HE LYS 72 -12.464 2.808 -16.384 538 HE3 LYS 72 2HE LYS 72 -12.484 4.028 -15.109 539 HZ1 LYS 72 3HZ LYS 72 -10.069 3.384 -16.708 540 HZ2 LYS 72 1HZ LYS 72 -10.296 4.700 -15.662 541 HZ3 LYS 72 2HZ LYS 72 -11.157 4.622 -17.124 542 H ALA 73 H ALA 73 -8.699 5.275 -11.501 543 HA ALA 73 HA ALA 73 -9.992 5.664 -8.981 544 HB1 ALA 73 3HB ALA 73 -10.007 8.063 -9.627 545 HB2 ALA 73 1HB ALA 73 -9.549 7.620 -11.275 546 HB3 ALA 73 2HB ALA 73 -8.435 7.325 -9.941 547 H THR 74 H THR 74 -12.129 5.759 -8.516 548 HA THR 74 HA THR 74 -14.132 6.577 -10.458 549 HB THR 74 HB THR 74 -13.935 4.250 -11.154 550 HG1 THR 74 HG1 THR 74 -16.048 3.551 -10.503 551 HG21 THR 74 3HG2 THR 74 -12.834 3.341 -9.124 552 HG22 THR 74 1HG2 THR 74 -14.248 2.387 -9.567 553 HG23 THR 74 2HG2 THR 74 -14.339 3.523 -8.226 554 H ARG 75 H ARG 75 -16.372 6.251 -9.455 555 HA ARG 75 HA ARG 75 -16.421 6.365 -6.515 556 HB2 ARG 75 1HB ARG 75 -15.842 8.685 -7.250 557 HB3 ARG 75 2HB ARG 75 -17.314 8.735 -8.218 558 HG2 ARG 75 1HG ARG 75 -18.677 8.410 -6.156 559 HG3 ARG 75 2HG ARG 75 -17.203 8.345 -5.196 560 HD2 ARG 75 1HD ARG 75 -16.660 10.666 -5.895 561 HD3 ARG 75 2HD ARG 75 -18.151 10.723 -6.838 562 HE ARG 75 HE ARG 75 -18.818 9.989 -4.204 563 HH11 ARG 75 1HH2 ARG 75 -17.562 12.725 -5.956 564 HH12 ARG 75 2HH2 ARG 75 -18.187 13.887 -4.833 565 HH21 ARG 75 1HH1 ARG 75 -19.620 11.522 -2.748 566 HH22 ARG 75 2HH1 ARG 75 -19.345 13.210 -3.026 567 H LYS 76 H LYS 76 -17.666 4.460 -6.842 568 HA LYS 76 HA LYS 76 -20.064 4.403 -8.385 569 HB2 LYS 76 1HB LYS 76 -18.712 2.391 -7.512 570 HB3 LYS 76 2HB LYS 76 -19.456 2.669 -5.945 571 HG2 LYS 76 1HG LYS 76 -20.969 1.076 -6.848 572 HG3 LYS 76 2HG LYS 76 -21.758 2.571 -7.345 573 HD2 LYS 76 1HD LYS 76 -20.557 2.362 -9.585 574 HD3 LYS 76 2HD LYS 76 -19.946 0.797 -9.055 575 HE2 LYS 76 1HE LYS 76 -22.875 1.571 -9.367 576 HE3 LYS 76 2HE LYS 76 -21.972 0.476 -10.414 577 HZ1 LYS 76 3HZ LYS 76 -23.069 0.037 -7.759 578 HZ2 LYS 76 1HZ LYS 76 -21.538 -0.638 -8.037 579 HZ3 LYS 76 2HZ LYS 76 -22.845 -1.059 -9.037 580 H LEU 77 H LEU 77 -22.089 5.108 -7.912 581 HA LEU 77 HA LEU 77 -23.778 6.226 -6.858 582 HB2 LEU 77 1HB LEU 77 -23.688 4.018 -5.576 583 HB3 LEU 77 2HB LEU 77 -22.754 4.849 -4.347 584 HG LEU 77 HG LEU 77 -24.838 6.576 -4.345 585 HD11 LEU 77 1HD1 LEU 77 -26.162 4.020 -5.357 586 HD12 LEU 77 2HD1 LEU 77 -26.012 5.512 -6.279 587 HD13 LEU 77 3HD1 LEU 77 -26.996 5.481 -4.823 588 HD21 LEU 77 3HD2 LEU 77 -25.015 3.808 -3.083 589 HD22 LEU 77 1HD2 LEU 77 -25.946 5.219 -2.570 590 HD23 LEU 77 2HD2 LEU 77 -24.193 5.206 -2.392 591 H ALA 78 H ALA 78 -23.092 8.378 -7.042 592 HA ALA 78 HA ALA 78 -21.100 9.603 -5.420 593 HB1 ALA 78 3HB ALA 78 -21.982 11.724 -6.328 594 HB2 ALA 78 1HB ALA 78 -23.415 10.884 -6.925 595 HB3 ALA 78 2HB ALA 78 -21.830 10.519 -7.605 596 H GLY 79 H GLY 79 -22.311 11.932 -4.474 597 HA2 GLY 79 1HA GLY 79 -23.601 12.833 -2.773 598 HA3 GLY 79 2HA GLY 79 -24.498 11.323 -2.644 599 H ARG 80 H ARG 80 -24.341 10.880 -0.464 600 HA ARG 80 HA ARG 80 -23.452 10.403 1.599 601 HB2 ARG 80 1HB ARG 80 -21.063 9.549 -0.090 602 HB3 ARG 80 2HB ARG 80 -21.324 9.108 1.596 603 HG2 ARG 80 1HG ARG 80 -23.415 7.933 0.979 604 HG3 ARG 80 2HG ARG 80 -23.183 8.388 -0.707 605 HD2 ARG 80 1HD ARG 80 -21.068 7.110 -0.778 606 HD3 ARG 80 2HD ARG 80 -21.260 6.668 0.918 607 HE ARG 80 HE ARG 80 -22.565 5.445 -1.339 608 HH11 ARG 80 1HH2 ARG 80 -22.936 6.231 2.032 609 HH12 ARG 80 2HH2 ARG 80 -24.107 4.990 2.325 610 HH21 ARG 80 1HH1 ARG 80 -24.097 3.824 -0.936 611 HH22 ARG 80 2HH1 ARG 80 -24.762 3.635 0.653 612 H ALA 81 H ALA 81 -23.457 12.757 2.005 613 HA ALA 81 HA ALA 81 -22.529 14.708 2.738 614 HB1 ALA 81 3HB ALA 81 -20.437 14.544 4.012 615 HB2 ALA 81 1HB ALA 81 -20.090 12.973 3.291 616 HB3 ALA 81 2HB ALA 81 -21.466 13.157 4.374 617 H ALA 82 H ALA 82 -20.593 16.257 2.410 618 HA ALA 82 HA ALA 82 -20.087 16.447 -0.452 619 HB1 ALA 82 3HB ALA 82 -19.006 18.591 0.149 620 HB2 ALA 82 1HB ALA 82 -19.140 18.181 1.862 621 HB3 ALA 82 2HB ALA 82 -20.595 18.448 0.905 622 H ASN 83 H ASN 83 -17.718 17.242 -0.986 623 HA ASN 83 HA ASN 83 -15.572 16.680 -1.357 624 HB2 ASN 83 1HB ASN 83 -15.565 15.669 1.513 625 HB3 ASN 83 2HB ASN 83 -14.156 16.102 0.561 626 HD21 ASN 83 2HD2 ASN 83 -17.153 17.535 1.964 627 HD22 ASN 83 1HD2 ASN 83 -16.513 19.104 2.079 628 HA PRO 84 HA PRO 84 -15.838 12.353 -2.563 629 HB2 PRO 84 1HB PRO 84 -13.289 11.802 -3.435 630 HB3 PRO 84 2HB PRO 84 -14.361 12.912 -4.321 631 HG2 PRO 84 1HG PRO 84 -12.191 13.604 -2.333 632 HG3 PRO 84 2HG PRO 84 -12.474 14.287 -3.945 633 HD2 PRO 84 1HD PRO 84 -13.378 15.583 -1.712 634 HD3 PRO 84 2HD PRO 84 -14.327 15.599 -3.215 635 H GLY 85 H GLY 85 -12.806 12.976 -0.775 636 HA2 GLY 85 1HA GLY 85 -11.798 11.860 0.985 637 HA3 GLY 85 2HA GLY 85 -13.422 11.390 1.481 638 H VAL 86 H VAL 86 -10.753 10.562 -0.682 639 HA VAL 86 HA VAL 86 -11.564 7.671 -0.640 640 HB VAL 86 HB VAL 86 -10.381 7.584 -2.904 641 HG11 VAL 86 1HG1 VAL 86 -12.854 7.551 -2.745 642 HG12 VAL 86 2HG1 VAL 86 -12.337 8.455 -4.167 643 HG13 VAL 86 3HG1 VAL 86 -12.886 9.314 -2.727 644 HG21 VAL 86 3HG2 VAL 86 -9.171 9.775 -2.699 645 HG22 VAL 86 1HG2 VAL 86 -10.712 10.623 -2.767 646 HG23 VAL 86 2HG2 VAL 86 -10.147 9.700 -4.157 647 HA PRO 87 HA PRO 87 -7.262 8.412 1.193 648 HB2 PRO 87 1HB PRO 87 -7.665 7.040 3.571 649 HB3 PRO 87 2HB PRO 87 -8.071 8.764 3.381 650 HG2 PRO 87 1HG PRO 87 -9.902 6.379 3.029 651 HG3 PRO 87 2HG PRO 87 -10.147 7.811 4.062 652 HD2 PRO 87 1HD PRO 87 -11.312 7.749 1.674 653 HD3 PRO 87 2HD PRO 87 -10.484 9.244 2.157 654 H VAL 88 H VAL 88 -5.892 6.492 2.207 655 HA VAL 88 HA VAL 88 -6.475 3.917 0.813 656 HB VAL 88 HB VAL 88 -4.072 3.824 0.131 657 HG11 VAL 88 1HG1 VAL 88 -4.247 5.455 -1.729 658 HG12 VAL 88 2HG1 VAL 88 -5.557 6.284 -0.890 659 HG13 VAL 88 3HG1 VAL 88 -5.787 4.635 -1.471 660 HG21 VAL 88 3HG2 VAL 88 -2.732 5.942 0.194 661 HG22 VAL 88 1HG2 VAL 88 -3.110 5.367 1.814 662 HG23 VAL 88 2HG2 VAL 88 -4.012 6.715 1.123 663 H TYR 89 H TYR 89 -5.332 2.120 1.650 664 HA TYR 89 HA TYR 89 -3.964 2.343 4.234 665 HB2 TYR 89 1HB TYR 89 -6.654 0.932 3.933 666 HB3 TYR 89 2HB TYR 89 -5.578 0.711 5.314 667 HD1 TYR 89 HD2 TYR 89 -5.073 2.634 6.866 668 HD2 TYR 89 HD1 TYR 89 -7.964 3.026 3.692 669 HE1 TYR 89 HE2 TYR 89 -5.969 4.693 7.923 670 HE2 TYR 89 HE1 TYR 89 -8.849 5.070 4.775 671 HH TYR 89 HH TYR 89 -8.531 5.919 7.715 672 H ALA 90 H ALA 90 -2.782 0.556 4.737 673 HA ALA 90 HA ALA 90 -2.827 -1.811 2.946 674 HB1 ALA 90 3HB ALA 90 -0.366 -0.091 3.457 675 HB2 ALA 90 1HB ALA 90 -1.240 -0.203 1.931 676 HB3 ALA 90 2HB ALA 90 -0.391 -1.615 2.565 677 H VAL 91 H VAL 91 -2.080 -3.656 3.896 678 HA VAL 91 HA VAL 91 -0.982 -3.552 6.650 679 HB VAL 91 HB VAL 91 -3.398 -5.253 5.857 680 HG11 VAL 91 1HG1 VAL 91 -1.981 -6.310 7.596 681 HG12 VAL 91 2HG1 VAL 91 -3.482 -5.739 8.312 682 HG13 VAL 91 3HG1 VAL 91 -1.996 -4.813 8.529 683 HG21 VAL 91 3HG2 VAL 91 -3.231 -2.731 7.576 684 HG22 VAL 91 1HG2 VAL 91 -4.657 -3.762 7.448 685 HG23 VAL 91 2HG2 VAL 91 -4.080 -2.890 6.039 686 H VAL 92 H VAL 92 0.358 -5.208 7.146 687 HA VAL 92 HA VAL 92 1.246 -6.949 4.930 688 HB VAL 92 HB VAL 92 2.892 -5.591 6.182 689 HG11 VAL 92 1HG1 VAL 92 3.460 -6.028 8.507 690 HG12 VAL 92 2HG1 VAL 92 2.278 -7.328 8.610 691 HG13 VAL 92 3HG1 VAL 92 1.737 -5.660 8.421 692 HG21 VAL 92 3HG2 VAL 92 3.587 -7.761 5.153 693 HG22 VAL 92 1HG2 VAL 92 3.248 -8.583 6.676 694 HG23 VAL 92 2HG2 VAL 92 4.539 -7.387 6.588 695 H ASP 93 H ASP 93 0.966 -9.115 4.931 696 HA ASP 93 HA ASP 93 -1.006 -10.413 6.252 697 HB2 ASP 93 1HB ASP 93 0.202 -11.315 4.318 698 HB3 ASP 93 2HB ASP 93 1.606 -11.628 5.328 699 HA PRO 94 HA PRO 94 0.834 -10.743 10.393 700 HB2 PRO 94 1HB PRO 94 -1.103 -12.078 11.752 701 HB3 PRO 94 2HB PRO 94 -1.392 -10.441 11.137 702 HG2 PRO 94 1HG PRO 94 -2.171 -13.056 9.859 703 HG3 PRO 94 2HG PRO 94 -3.195 -11.633 10.181 704 HD2 PRO 94 1HD PRO 94 -2.052 -12.030 7.718 705 HD3 PRO 94 2HD PRO 94 -2.261 -10.389 8.380 706 H ASP 95 H ASP 95 1.926 -12.267 11.687 707 HA ASP 95 HA ASP 95 2.540 -14.841 10.376 708 HB2 ASP 95 1HB ASP 95 4.361 -13.262 11.110 709 HB3 ASP 95 2HB ASP 95 3.864 -13.499 12.780 710 H ASN 96 H ASN 96 0.054 -14.097 12.048 711 HA ASN 96 HA ASN 96 -1.340 -15.101 13.529 712 HB2 ASN 96 1HB ASN 96 -0.907 -17.050 12.030 713 HB3 ASN 96 2HB ASN 96 0.403 -17.549 13.087 714 HD21 ASN 96 2HD2 ASN 96 -0.483 -19.465 13.981 715 HD22 ASN 96 1HD2 ASN 96 -1.943 -19.510 14.846 716 H ARG 97 H ARG 97 1.486 -14.064 14.320 717 HA ARG 97 HA ARG 97 1.209 -14.722 17.195 718 HB2 ARG 97 1HB ARG 97 3.803 -15.046 15.640 719 HB3 ARG 97 2HB ARG 97 3.635 -15.176 17.393 720 HG2 ARG 97 1HG ARG 97 2.016 -17.095 17.032 721 HG3 ARG 97 2HG ARG 97 2.363 -17.007 15.305 722 HD2 ARG 97 1HD ARG 97 4.440 -17.523 17.459 723 HD3 ARG 97 2HD ARG 97 3.732 -18.751 16.410 724 HE ARG 97 HE ARG 97 4.756 -16.746 14.750 725 HH11 ARG 97 1HH2 ARG 97 5.926 -19.081 17.054 726 HH12 ARG 97 2HH2 ARG 97 7.466 -19.256 16.280 727 HH21 ARG 97 1HH1 ARG 97 6.764 -16.985 13.760 728 HH22 ARG 97 2HH1 ARG 97 7.937 -18.073 14.422 729 H VAL 98 H VAL 98 1.849 -12.519 14.696 730 HA VAL 98 HA VAL 98 3.492 -10.621 16.072 731 HB VAL 98 HB VAL 98 3.191 -10.627 13.611 732 HG11 VAL 98 1HG1 VAL 98 1.120 -9.754 12.596 733 HG12 VAL 98 2HG1 VAL 98 0.371 -9.613 14.176 734 HG13 VAL 98 3HG1 VAL 98 0.779 -11.203 13.536 735 HG21 VAL 98 3HG2 VAL 98 3.902 -8.518 14.763 736 HG22 VAL 98 1HG2 VAL 98 2.214 -8.011 14.855 737 HG23 VAL 98 2HG2 VAL 98 2.997 -8.194 13.288 738 H ALA 99 H ALA 99 0.094 -11.372 16.159 739 HA ALA 99 HA ALA 99 -1.578 -10.700 17.546 740 HB1 ALA 99 3HB ALA 99 0.428 -10.429 19.249 741 HB2 ALA 99 1HB ALA 99 -1.118 -9.675 19.641 742 HB3 ALA 99 2HB ALA 99 0.205 -8.702 18.999 743 H GLU 100 H GLU 100 -2.989 -8.808 17.939 744 HA GLU 100 HA GLU 100 -2.979 -7.061 15.596 745 HB2 GLU 100 1HB GLU 100 -4.892 -7.265 17.951 746 HB3 GLU 100 2HB GLU 100 -5.160 -6.273 16.514 747 HG2 GLU 100 1HG GLU 100 -5.080 -8.309 15.092 748 HG3 GLU 100 2HG GLU 100 -4.823 -9.302 16.525 749 H SER 101 H SER 101 -3.139 -6.497 19.114 750 HA SER 101 HA SER 101 -2.951 -3.785 19.308 751 HB2 SER 101 1HB SER 101 -1.789 -4.095 21.438 752 HB3 SER 101 2HB SER 101 -2.967 -5.390 21.224 753 HG SER 101 HG SER 101 -0.862 -6.306 20.082 754 H ASP 102 H ASP 102 -0.205 -5.956 18.641 755 HA ASP 102 HA ASP 102 1.767 -3.845 18.474 756 HB2 ASP 102 1HB ASP 102 1.843 -6.670 17.373 757 HB3 ASP 102 2HB ASP 102 3.232 -5.614 17.592 758 H LYS 103 H LYS 103 0.069 -5.874 16.062 759 HA LYS 103 HA LYS 103 1.112 -4.938 13.694 760 HB2 LYS 103 1HB LYS 103 -0.659 -6.705 13.911 761 HB3 LYS 103 2HB LYS 103 -1.858 -5.439 14.148 762 HG2 LYS 103 1HG LYS 103 -1.162 -4.482 11.868 763 HG3 LYS 103 2HG LYS 103 -0.167 -5.918 11.647 764 HD2 LYS 103 1HD LYS 103 -3.199 -5.874 12.030 765 HD3 LYS 103 2HD LYS 103 -2.354 -6.171 10.519 766 HE2 LYS 103 1HE LYS 103 -1.213 -8.159 11.749 767 HE3 LYS 103 2HE LYS 103 -2.506 -7.986 12.937 768 HZ1 LYS 103 3HZ LYS 103 -3.948 -7.925 10.741 769 HZ2 LYS 103 1HZ LYS 103 -3.521 -9.384 11.494 770 HZ3 LYS 103 2HZ LYS 103 -2.644 -8.839 10.146 771 H ALA 104 H ALA 104 -1.469 -3.416 15.595 772 HA ALA 104 HA ALA 104 -2.143 -1.271 13.967 773 HB1 ALA 104 3HB ALA 104 -1.909 -1.272 16.986 774 HB2 ALA 104 1HB ALA 104 -3.303 -1.839 16.068 775 HB3 ALA 104 2HB ALA 104 -2.857 -0.131 16.031 776 H ASN 105 H ASN 105 0.927 -1.940 14.937 777 HA ASN 105 HA ASN 105 1.910 0.816 15.328 778 HB2 ASN 105 1HB ASN 105 2.863 -1.082 16.659 779 HB3 ASN 105 2HB ASN 105 3.467 -1.800 15.172 780 HD21 ASN 105 2HD2 ASN 105 5.725 -1.541 15.561 781 HD22 ASN 105 1HD2 ASN 105 6.472 -0.029 15.751 782 H ASN 106 H ASN 106 1.919 -1.758 12.864 783 HA ASN 106 HA ASN 106 3.557 -0.166 10.995 784 HB2 ASN 106 1HB ASN 106 3.406 -2.244 9.585 785 HB3 ASN 106 2HB ASN 106 4.097 -2.540 11.178 786 HD21 ASN 106 2HD2 ASN 106 0.750 -2.476 9.763 787 HD22 ASN 106 1HD2 ASN 106 0.262 -3.902 10.536 788 H VAL 107 H VAL 107 1.191 1.096 11.571 789 HA VAL 107 HA VAL 107 -0.624 0.590 9.248 790 HB VAL 107 HB VAL 107 -1.041 2.341 11.710 791 HG11 VAL 107 1HG1 VAL 107 -2.928 1.550 9.430 792 HG12 VAL 107 2HG1 VAL 107 -2.362 3.182 9.789 793 HG13 VAL 107 3HG1 VAL 107 -3.443 2.364 10.910 794 HG21 VAL 107 3HG2 VAL 107 -0.981 -0.092 12.213 795 HG22 VAL 107 1HG2 VAL 107 -2.195 -0.386 10.969 796 HG23 VAL 107 2HG2 VAL 107 -2.611 0.556 12.403 797 H PHE 108 H PHE 108 -0.778 1.994 7.633 798 HA PHE 108 HA PHE 108 0.383 4.705 7.838 799 HB2 PHE 108 1HB PHE 108 1.129 2.750 5.615 800 HB3 PHE 108 2HB PHE 108 1.717 4.399 5.810 801 HD1 PHE 108 HD1 PHE 108 2.763 4.929 8.252 802 HD2 PHE 108 HD2 PHE 108 2.584 1.002 6.455 803 HE1 PHE 108 HE1 PHE 108 4.582 4.154 9.738 804 HE2 PHE 108 HE2 PHE 108 4.403 0.248 7.959 805 HZ PHE 108 HZ PHE 108 5.404 1.821 9.594 806 H SER 109 H SER 109 -0.541 6.176 6.503 807 HA SER 109 HA SER 109 -2.330 5.480 4.345 808 HB2 SER 109 1HB SER 109 -3.772 4.955 6.289 809 HB3 SER 109 2HB SER 109 -3.521 6.578 6.923 810 HG SER 109 HG SER 109 -4.433 6.206 4.283 811 H ARG 110 H ARG 110 -2.870 7.261 3.125 812 HA ARG 110 HA ARG 110 -1.882 9.934 4.026 813 HB2 ARG 110 1HB ARG 110 -0.178 8.830 2.557 814 HB3 ARG 110 2HB ARG 110 -1.381 8.717 1.275 815 HG2 ARG 110 1HG ARG 110 -1.618 11.218 1.311 816 HG3 ARG 110 2HG ARG 110 -0.387 11.297 2.565 817 HD2 ARG 110 1HD ARG 110 1.234 10.226 0.993 818 HD3 ARG 110 2HD ARG 110 -0.002 10.261 -0.269 819 HE ARG 110 HE ARG 110 1.613 12.474 0.629 820 HH11 ARG 110 1HH2 ARG 110 -1.506 11.617 -0.652 821 HH12 ARG 110 2HH2 ARG 110 -1.815 13.191 -1.304 822 HH21 ARG 110 1HH1 ARG 110 1.184 14.535 -0.222 823 HH22 ARG 110 2HH1 ARG 110 -0.301 14.832 -1.062 824 H ILE 111 H ILE 111 -3.344 11.445 3.779 825 HA ILE 111 HA ILE 111 -5.869 10.867 2.450 826 HB ILE 111 HB ILE 111 -4.969 13.520 3.684 827 HG12 ILE 111 1HG1 ILE 111 -4.617 11.831 5.417 828 HG13 ILE 111 2HG1 ILE 111 -6.088 12.710 5.802 829 HG21 ILE 111 1HG2 ILE 111 -7.401 13.845 4.041 830 HG22 ILE 111 2HG2 ILE 111 -7.727 12.286 3.283 831 HG23 ILE 111 3HG2 ILE 111 -7.042 13.602 2.330 832 HD11 ILE 111 3HD1 ILE 111 -7.363 10.775 4.655 833 HD12 ILE 111 1HD1 ILE 111 -6.585 10.415 6.191 834 HD13 ILE 111 2HD1 ILE 111 -5.829 9.904 4.689 835 H VAL 112 H VAL 112 -6.458 11.519 0.459 836 HA VAL 112 HA VAL 112 -5.050 13.697 -0.940 837 HB VAL 112 HB VAL 112 -3.691 11.688 -1.442 838 HG11 VAL 112 1HG1 VAL 112 -4.606 9.795 -2.709 839 HG12 VAL 112 2HG1 VAL 112 -6.214 10.520 -2.693 840 HG13 VAL 112 3HG1 VAL 112 -5.480 9.971 -1.187 841 HG21 VAL 112 3HG2 VAL 112 -3.709 11.862 -3.896 842 HG22 VAL 112 1HG2 VAL 112 -3.977 13.456 -3.195 843 HG23 VAL 112 2HG2 VAL 112 -5.331 12.553 -3.870 844 H LYS 113 H LYS 113 -6.274 14.690 -2.463 845 HA LYS 113 HA LYS 113 -8.973 13.594 -3.111 846 HB2 LYS 113 1HB LYS 113 -8.335 16.421 -2.149 847 HB3 LYS 113 2HB LYS 113 -9.900 15.893 -2.773 848 HG2 LYS 113 1HG LYS 113 -10.037 14.190 -0.944 849 HG3 LYS 113 2HG LYS 113 -8.500 14.778 -0.306 850 HD2 LYS 113 1HD LYS 113 -9.522 17.028 0.048 851 HD3 LYS 113 2HD LYS 113 -11.061 16.413 -0.559 852 HE2 LYS 113 1HE LYS 113 -9.584 15.385 1.900 853 HE3 LYS 113 2HE LYS 113 -11.042 16.377 1.916 854 HZ1 LYS 113 3HZ LYS 113 -10.715 13.551 1.249 855 HZ2 LYS 113 1HZ LYS 113 -11.882 14.419 0.374 856 HZ3 LYS 113 2HZ LYS 113 -11.980 14.334 2.068 857 H VAL 114 H VAL 114 -9.788 14.224 -5.074 858 HA VAL 114 HA VAL 114 -7.794 15.183 -7.048 859 HB VAL 114 HB VAL 114 -9.392 14.251 -8.720 860 HG11 VAL 114 1HG1 VAL 114 -7.589 12.820 -7.795 861 HG12 VAL 114 2HG1 VAL 114 -9.025 11.861 -8.149 862 HG13 VAL 114 3HG1 VAL 114 -8.655 12.312 -6.484 863 HG21 VAL 114 3HG2 VAL 114 -11.295 12.820 -7.880 864 HG22 VAL 114 1HG2 VAL 114 -11.528 14.527 -7.518 865 HG23 VAL 114 2HG2 VAL 114 -10.999 13.422 -6.254 866 H LEU 115 H LEU 115 -8.037 17.051 -8.149 867 HA LEU 115 HA LEU 115 -10.568 18.520 -8.160 868 HB2 LEU 115 1HB LEU 115 -9.265 19.130 -5.996 869 HB3 LEU 115 2HB LEU 115 -8.089 19.906 -7.042 870 HG LEU 115 HG LEU 115 -10.261 21.184 -8.034 871 HD11 LEU 115 1HD1 LEU 115 -11.999 21.601 -6.327 872 HD12 LEU 115 2HD1 LEU 115 -11.200 20.489 -5.215 873 HD13 LEU 115 3HD1 LEU 115 -11.926 19.883 -6.699 874 HD21 LEU 115 3HD2 LEU 115 -9.073 21.901 -5.318 875 HD22 LEU 115 1HD2 LEU 115 -9.955 23.013 -6.369 876 HD23 LEU 115 2HD2 LEU 115 -8.406 22.352 -6.886 877 H GLU 116 H GLU 116 -10.818 19.662 -9.955 878 HA GLU 116 HA GLU 116 -8.665 20.813 -11.476 879 HB2 GLU 116 1HB GLU 116 -8.380 18.358 -12.054 880 HB3 GLU 116 2HB GLU 116 -10.005 18.363 -12.726 881 HG2 GLU 116 1HG GLU 116 -8.392 18.657 -14.548 882 HG3 GLU 116 2HG GLU 116 -9.273 20.161 -14.351 883 H HIS 117 H HIS 117 -9.945 22.639 -11.386 884 HA HIS 117 HA HIS 117 -11.450 24.162 -12.131 885 HB2 HIS 117 1HB HIS 117 -10.899 23.127 -14.390 886 HB3 HIS 117 2HB HIS 117 -12.318 22.109 -14.219 887 HD1 HIS 117 HD1 HIS 117 -14.669 23.373 -14.079 888 HD2 HIS 117 HD2 HIS 117 -11.434 25.709 -15.287 889 HE1 HIS 117 HE1 HIS 117 -15.646 25.446 -15.160 890 HE2 HIS 117 HE2 HIS 117 -13.685 26.880 -15.900 891 H HIS 118 H HIS 118 -12.395 21.049 -11.116 892 HA HIS 118 HA HIS 118 -14.239 20.179 -10.105 893 HB2 HIS 118 1HB HIS 118 -13.739 22.139 -8.572 894 HB3 HIS 118 2HB HIS 118 -14.944 23.078 -9.448 895 HD1 HIS 118 HD1 HIS 118 -17.444 22.511 -8.998 896 HD2 HIS 118 HD2 HIS 118 -14.807 19.986 -6.984 897 HE1 HIS 118 HE1 HIS 118 -18.846 21.142 -7.391 898 HE2 HIS 118 HE2 HIS 118 -17.252 19.600 -6.157 899 H HIS 119 H HIS 119 -16.805 20.511 -9.961 900 HA HIS 119 HA HIS 119 -18.774 20.399 -11.107 901 HB2 HIS 119 1HB HIS 119 -17.660 22.669 -12.816 902 HB3 HIS 119 2HB HIS 119 -19.352 22.229 -12.614 903 HD1 HIS 119 HD1 HIS 119 -20.284 22.472 -10.065 904 HD2 HIS 119 HD2 HIS 119 -16.723 24.457 -10.934 905 HE1 HIS 119 HE1 HIS 119 -19.933 24.162 -8.211 906 HE2 HIS 119 HE2 HIS 119 -17.765 25.380 -8.727 907 H HIS 120 H HIS 120 -16.696 21.368 -13.833 908 HA HIS 120 HA HIS 120 -16.303 20.424 -15.870 909 HB2 HIS 120 1HB HIS 120 -14.968 18.884 -14.440 910 HB3 HIS 120 2HB HIS 120 -16.368 17.829 -14.271 911 HD1 HIS 120 HD1 HIS 120 -14.093 19.228 -16.992 912 HD2 HIS 120 HD2 HIS 120 -16.644 15.992 -16.357 913 HE1 HIS 120 HE1 HIS 120 -13.879 17.736 -19.028 914 HE2 HIS 120 HE2 HIS 120 -15.428 15.760 -18.657 915 H HIS 121 H HIS 121 -18.053 20.761 -17.174 916 HA HIS 121 HA HIS 121 -20.008 20.427 -18.291 917 HB2 HIS 121 1HB HIS 121 -18.835 18.308 -18.909 918 HB3 HIS 121 2HB HIS 121 -19.578 17.506 -17.533 919 HD1 HIS 121 HD1 HIS 121 -20.674 19.424 -20.649 920 HD2 HIS 121 HD2 HIS 121 -22.044 16.392 -18.136 921 HE1 HIS 121 HE1 HIS 121 -22.844 18.587 -21.651 922 HE2 HIS 121 HE2 HIS 121 -23.692 16.740 -20.130 923 H HIS 122 H HIS 122 -22.323 19.512 -18.050 924 HA HIS 122 HA HIS 122 -24.288 19.597 -16.874 925 HB2 HIS 122 1HB HIS 122 -23.437 17.390 -16.108 926 HB3 HIS 122 2HB HIS 122 -22.628 18.172 -14.757 927 HD1 HIS 122 HD1 HIS 122 -24.029 18.744 -12.714 928 HD2 HIS 122 HD2 HIS 122 -26.353 17.476 -15.935 929 HE1 HIS 122 HE1 HIS 122 -26.389 18.476 -11.833 930 HE2 HIS 122 HE2 HIS 122 -27.818 17.705 -13.785 Start of MODEL 5 1 H1 MET 1 1H MET 1 13.145 7.280 6.504 2 H2 MET 1 2H MET 1 14.076 6.948 5.121 3 H3 MET 1 3H MET 1 12.400 7.197 4.982 4 HA MET 1 HA MET 1 13.262 9.468 6.217 5 HB2 MET 1 1HB MET 1 15.202 8.648 4.024 6 HB3 MET 1 2HB MET 1 15.128 10.248 4.756 7 HG2 MET 1 1HG MET 1 15.659 9.275 6.968 8 HG3 MET 1 2HG MET 1 15.738 7.665 6.252 9 HE1 MET 1 3HE MET 1 17.951 6.652 5.409 10 HE2 MET 1 1HE MET 1 18.945 7.547 4.254 11 HE3 MET 1 2HE MET 1 17.228 7.323 3.954 12 H ASP 2 H ASP 2 11.268 7.985 4.591 13 HA ASP 2 HA ASP 2 10.434 10.225 2.892 14 HB2 ASP 2 1HB ASP 2 10.906 7.444 1.747 15 HB3 ASP 2 2HB ASP 2 10.114 8.774 0.900 16 H LEU 3 H LEU 3 8.283 9.632 1.849 17 HA LEU 3 HA LEU 3 6.520 9.006 3.951 18 HB2 LEU 3 1HB LEU 3 6.143 9.536 1.019 19 HB3 LEU 3 2HB LEU 3 4.755 9.010 1.967 20 HG LEU 3 HG LEU 3 4.971 11.516 1.721 21 HD11 LEU 3 1HD1 LEU 3 3.687 10.520 3.603 22 HD12 LEU 3 2HD1 LEU 3 4.376 12.099 3.972 23 HD13 LEU 3 3HD1 LEU 3 5.125 10.654 4.615 24 HD21 LEU 3 3HD2 LEU 3 7.510 11.558 1.915 25 HD22 LEU 3 1HD2 LEU 3 7.308 11.314 3.654 26 HD23 LEU 3 2HD2 LEU 3 6.671 12.763 2.888 27 HA PRO 4 HA PRO 4 6.251 4.580 3.551 28 HB2 PRO 4 1HB PRO 4 3.832 4.030 4.749 29 HB3 PRO 4 2HB PRO 4 5.209 4.668 5.681 30 HG2 PRO 4 1HG PRO 4 2.861 6.175 4.527 31 HG3 PRO 4 2HG PRO 4 3.544 6.273 6.164 32 HD2 PRO 4 1HD PRO 4 4.187 8.110 4.220 33 HD3 PRO 4 2HD PRO 4 5.354 7.624 5.464 34 H ILE 5 H ILE 5 3.692 6.588 2.237 35 HA ILE 5 HA ILE 5 3.067 4.499 0.172 36 HB ILE 5 HB ILE 5 1.115 6.477 1.418 37 HG12 ILE 5 1HG1 ILE 5 1.264 3.437 1.740 38 HG13 ILE 5 2HG1 ILE 5 1.820 4.575 2.957 39 HG21 ILE 5 1HG2 ILE 5 0.714 4.212 -0.598 40 HG22 ILE 5 2HG2 ILE 5 0.557 5.932 -0.955 41 HG23 ILE 5 3HG2 ILE 5 -0.596 5.154 0.111 42 HD11 ILE 5 3HD1 ILE 5 -0.414 3.838 3.534 43 HD12 ILE 5 1HD1 ILE 5 -1.015 4.294 1.945 44 HD13 ILE 5 2HD1 ILE 5 -0.476 5.538 3.075 45 H THR 6 H THR 6 3.339 5.140 -1.863 46 HA THR 6 HA THR 6 3.322 8.058 -2.530 47 HB THR 6 HB THR 6 5.343 6.065 -3.647 48 HG1 THR 6 HG1 THR 6 5.875 6.427 -1.540 49 HG21 THR 6 3HG2 THR 6 5.167 9.101 -3.795 50 HG22 THR 6 1HG2 THR 6 4.849 7.996 -5.134 51 HG23 THR 6 2HG2 THR 6 6.471 8.119 -4.458 52 H LEU 7 H LEU 7 1.884 8.474 -4.041 53 HA LEU 7 HA LEU 7 0.911 6.319 -5.853 54 HB2 LEU 7 1HB LEU 7 -0.332 9.009 -5.187 55 HB3 LEU 7 2HB LEU 7 -1.086 7.693 -6.083 56 HG LEU 7 HG LEU 7 -0.253 7.604 -3.145 57 HD11 LEU 7 1HD1 LEU 7 -2.242 8.987 -3.524 58 HD12 LEU 7 2HD1 LEU 7 -2.691 7.492 -2.709 59 HD13 LEU 7 3HD1 LEU 7 -3.003 7.683 -4.437 60 HD21 LEU 7 3HD2 LEU 7 -1.473 5.494 -4.967 61 HD22 LEU 7 1HD2 LEU 7 -1.658 5.404 -3.213 62 HD23 LEU 7 2HD2 LEU 7 -0.055 5.349 -3.923 63 H SER 8 H SER 8 0.880 6.576 -8.036 64 HA SER 8 HA SER 8 2.821 8.420 -9.171 65 HB2 SER 8 1HB SER 8 1.048 6.289 -10.411 66 HB3 SER 8 2HB SER 8 2.250 7.223 -11.297 67 HG SER 8 HG SER 8 3.798 6.136 -10.356 68 H LYS 9 H LYS 9 0.771 9.870 -8.009 69 HA LYS 9 HA LYS 9 -1.231 10.678 -9.933 70 HB2 LYS 9 1HB LYS 9 -1.721 12.454 -8.245 71 HB3 LYS 9 2HB LYS 9 -1.743 10.826 -7.564 72 HG2 LYS 9 1HG LYS 9 0.302 11.133 -6.370 73 HG3 LYS 9 2HG LYS 9 0.855 12.441 -7.400 74 HD2 LYS 9 1HD LYS 9 0.180 13.278 -5.172 75 HD3 LYS 9 2HD LYS 9 -0.824 13.963 -6.448 76 HE2 LYS 9 1HE LYS 9 -2.111 13.176 -4.382 77 HE3 LYS 9 2HE LYS 9 -2.672 12.479 -5.901 78 HZ1 LYS 9 3HZ LYS 9 -1.937 10.450 -5.343 79 HZ2 LYS 9 1HZ LYS 9 -2.064 11.040 -3.758 80 HZ3 LYS 9 2HZ LYS 9 -0.557 11.032 -4.544 81 H GLU 10 H GLU 10 1.055 10.832 -11.326 82 HA GLU 10 HA GLU 10 2.525 13.251 -11.203 83 HB2 GLU 10 1HB GLU 10 1.954 11.224 -13.386 84 HB3 GLU 10 2HB GLU 10 2.828 12.695 -13.805 85 HG2 GLU 10 1HG GLU 10 4.399 10.858 -13.281 86 HG3 GLU 10 2HG GLU 10 4.548 12.164 -12.109 87 H THR 11 H THR 11 -0.415 12.435 -13.010 88 HA THR 11 HA THR 11 -0.900 15.341 -13.537 89 HB THR 11 HB THR 11 -2.091 14.623 -15.553 90 HG1 THR 11 HG1 THR 11 -2.325 12.386 -14.395 91 HG21 THR 11 3HG2 THR 11 -0.157 13.855 -16.862 92 HG22 THR 11 1HG2 THR 11 0.655 13.322 -15.388 93 HG23 THR 11 2HG2 THR 11 0.383 15.042 -15.671 94 HA PRO 12 HA PRO 12 -4.141 13.892 -10.462 95 HB2 PRO 12 1HB PRO 12 -4.444 16.925 -10.568 96 HB3 PRO 12 2HB PRO 12 -4.619 15.839 -9.163 97 HG2 PRO 12 1HG PRO 12 -2.362 17.193 -9.450 98 HG3 PRO 12 2HG PRO 12 -2.282 15.468 -9.018 99 HD2 PRO 12 1HD PRO 12 -1.765 16.749 -11.718 100 HD3 PRO 12 2HD PRO 12 -0.916 15.384 -10.951 101 H PHE 13 H PHE 13 -5.903 13.025 -11.454 102 HA PHE 13 HA PHE 13 -7.892 14.677 -12.714 103 HB2 PHE 13 1HB PHE 13 -6.180 14.438 -14.559 104 HB3 PHE 13 2HB PHE 13 -6.422 12.697 -14.518 105 HD1 PHE 13 HD2 PHE 13 -8.007 15.971 -15.302 106 HD2 PHE 13 HD1 PHE 13 -8.529 11.693 -15.379 107 HE1 PHE 13 HE2 PHE 13 -10.019 16.234 -16.725 108 HE2 PHE 13 HE1 PHE 13 -10.541 11.969 -16.799 109 HZ PHE 13 HZ PHE 13 -11.283 14.237 -17.471 110 H GLU 14 H GLU 14 -9.697 13.783 -11.939 111 HA GLU 14 HA GLU 14 -9.927 11.230 -10.805 112 HB2 GLU 14 1HB GLU 14 -11.509 13.118 -10.415 113 HB3 GLU 14 2HB GLU 14 -12.169 12.880 -12.029 114 HG2 GLU 14 1HG GLU 14 -12.872 10.576 -11.405 115 HG3 GLU 14 2HG GLU 14 -12.177 10.795 -9.804 116 H GLY 15 H GLY 15 -10.763 9.264 -11.544 117 HA2 GLY 15 1HA GLY 15 -11.561 7.697 -13.084 118 HA3 GLY 15 2HA GLY 15 -11.496 8.885 -14.373 119 H GLU 16 H GLU 16 -8.675 9.588 -13.502 120 HA GLU 16 HA GLU 16 -7.297 7.845 -15.299 121 HB2 GLU 16 1HB GLU 16 -6.632 10.222 -14.836 122 HB3 GLU 16 2HB GLU 16 -6.081 9.736 -13.239 123 HG2 GLU 16 1HG GLU 16 -4.428 8.195 -14.270 124 HG3 GLU 16 2HG GLU 16 -5.010 8.636 -15.871 125 H GLU 17 H GLU 17 -5.782 6.239 -14.883 126 HA GLU 17 HA GLU 17 -6.257 4.697 -12.477 127 HB2 GLU 17 1HB GLU 17 -5.913 3.689 -14.760 128 HB3 GLU 17 2HB GLU 17 -4.225 4.189 -14.691 129 HG2 GLU 17 1HG GLU 17 -3.909 2.823 -12.630 130 HG3 GLU 17 2HG GLU 17 -5.598 2.327 -12.703 131 H ILE 18 H ILE 18 -5.018 4.619 -10.699 132 HA ILE 18 HA ILE 18 -2.408 6.099 -10.637 133 HB ILE 18 HB ILE 18 -2.915 6.556 -8.245 134 HG12 ILE 18 1HG1 ILE 18 -5.724 5.522 -8.892 135 HG13 ILE 18 2HG1 ILE 18 -4.560 4.631 -7.925 136 HG21 ILE 18 1HG2 ILE 18 -4.596 8.338 -8.672 137 HG22 ILE 18 2HG2 ILE 18 -5.044 7.557 -10.185 138 HG23 ILE 18 3HG2 ILE 18 -3.436 8.252 -9.992 139 HD11 ILE 18 3HD1 ILE 18 -5.742 7.338 -7.246 140 HD12 ILE 18 1HD1 ILE 18 -4.473 6.537 -6.315 141 HD13 ILE 18 2HD1 ILE 18 -6.072 5.806 -6.441 142 H THR 19 H THR 19 -0.710 5.182 -9.584 143 HA THR 19 HA THR 19 -0.861 2.263 -9.197 144 HB THR 19 HB THR 19 1.571 4.096 -9.086 145 HG1 THR 19 HG1 THR 19 0.844 4.254 -11.118 146 HG21 THR 19 3HG2 THR 19 2.807 1.995 -9.567 147 HG22 THR 19 1HG2 THR 19 1.296 1.092 -9.483 148 HG23 THR 19 2HG2 THR 19 1.937 1.878 -8.040 149 H VAL 20 H VAL 20 -1.363 1.530 -7.230 150 HA VAL 20 HA VAL 20 -0.753 3.163 -4.834 151 HB VAL 20 HB VAL 20 -2.480 0.665 -5.024 152 HG11 VAL 20 1HG1 VAL 20 -1.706 1.167 -2.723 153 HG12 VAL 20 2HG1 VAL 20 -3.418 1.573 -2.859 154 HG13 VAL 20 3HG1 VAL 20 -2.207 2.849 -2.897 155 HG21 VAL 20 3HG2 VAL 20 -3.277 3.611 -5.122 156 HG22 VAL 20 1HG2 VAL 20 -4.406 2.259 -5.010 157 HG23 VAL 20 2HG2 VAL 20 -3.418 2.463 -6.454 158 H SER 21 H SER 21 1.159 2.771 -3.938 159 HA SER 21 HA SER 21 2.167 -0.033 -3.743 160 HB2 SER 21 1HB SER 21 4.405 0.821 -3.994 161 HB3 SER 21 2HB SER 21 3.441 1.474 -5.319 162 HG SER 21 HG SER 21 4.495 2.729 -3.059 163 H ALA 22 H ALA 22 2.798 -0.702 -1.793 164 HA ALA 22 HA ALA 22 2.708 1.218 0.512 165 HB1 ALA 22 3HB ALA 22 0.823 -0.384 0.493 166 HB2 ALA 22 1HB ALA 22 1.909 -0.685 1.852 167 HB3 ALA 22 2HB ALA 22 1.961 -1.726 0.430 168 H ARG 23 H ARG 23 4.578 1.458 1.518 169 HA ARG 23 HA ARG 23 6.859 -0.306 0.948 170 HB2 ARG 23 1HB ARG 23 6.549 2.241 2.590 171 HB3 ARG 23 2HB ARG 23 8.080 1.383 2.389 172 HG2 ARG 23 1HG ARG 23 7.948 1.682 -0.062 173 HG3 ARG 23 2HG ARG 23 6.401 2.510 0.105 174 HD2 ARG 23 1HD ARG 23 7.486 4.277 1.420 175 HD3 ARG 23 2HD ARG 23 9.034 3.458 1.305 176 HE ARG 23 HE ARG 23 7.781 5.087 -0.725 177 HH11 ARG 23 1HH2 ARG 23 9.913 2.401 -0.167 178 HH12 ARG 23 2HH2 ARG 23 10.738 2.569 -1.681 179 HH21 ARG 23 1HH1 ARG 23 8.860 5.285 -2.719 180 HH22 ARG 23 2HH1 ARG 23 10.142 4.194 -3.119 181 H VAL 24 H VAL 24 7.018 -2.136 2.067 182 HA VAL 24 HA VAL 24 5.948 -2.371 4.804 183 HB VAL 24 HB VAL 24 7.240 -4.515 3.052 184 HG11 VAL 24 1HG1 VAL 24 5.397 -4.683 5.477 185 HG12 VAL 24 2HG1 VAL 24 7.114 -5.069 5.474 186 HG13 VAL 24 3HG1 VAL 24 5.991 -6.061 4.552 187 HG21 VAL 24 3HG2 VAL 24 4.884 -5.175 2.509 188 HG22 VAL 24 1HG2 VAL 24 5.276 -3.575 1.880 189 HG23 VAL 24 2HG2 VAL 24 4.306 -3.735 3.347 190 H THR 25 H THR 25 7.250 -1.897 6.459 191 HA THR 25 HA THR 25 10.175 -1.853 6.124 192 HB THR 25 HB THR 25 8.428 -1.065 8.493 193 HG1 THR 25 HG1 THR 25 9.127 1.050 7.713 194 HG21 THR 25 3HG2 THR 25 10.549 0.197 9.168 195 HG22 THR 25 1HG2 THR 25 11.423 -0.763 7.977 196 HG23 THR 25 2HG2 THR 25 10.648 -1.557 9.360 197 H ASN 26 H ASN 26 11.423 -3.530 6.706 198 HA ASN 26 HA ASN 26 10.318 -5.701 8.426 199 HB2 ASN 26 1HB ASN 26 12.676 -5.664 6.510 200 HB3 ASN 26 2HB ASN 26 12.171 -7.050 7.470 201 HD21 ASN 26 2HD2 ASN 26 11.376 -8.429 5.807 202 HD22 ASN 26 1HD2 ASN 26 10.097 -7.999 4.783 203 H ARG 27 H ARG 27 10.793 -5.424 10.474 204 HA ARG 27 HA ARG 27 12.823 -3.822 11.562 205 HB2 ARG 27 1HB ARG 27 11.283 -6.188 12.666 206 HB3 ARG 27 2HB ARG 27 12.285 -5.146 13.671 207 HG2 ARG 27 1HG ARG 27 10.083 -3.898 11.924 208 HG3 ARG 27 2HG ARG 27 9.664 -4.623 13.484 209 HD2 ARG 27 1HD ARG 27 11.240 -3.111 14.633 210 HD3 ARG 27 2HD ARG 27 11.725 -2.416 13.093 211 HE ARG 27 HE ARG 27 8.911 -2.221 13.389 212 HH11 ARG 27 1HH2 ARG 27 11.888 -0.900 14.604 213 HH12 ARG 27 2HH2 ARG 27 11.199 0.638 15.004 214 HH21 ARG 27 1HH1 ARG 27 8.016 -0.195 13.916 215 HH22 ARG 27 2HH1 ARG 27 9.015 1.035 14.616 216 H GLY 28 H GLY 28 14.894 -4.202 12.153 217 HA2 GLY 28 1HA GLY 28 16.374 -6.249 10.862 218 HA3 GLY 28 2HA GLY 28 16.978 -5.182 12.134 219 H ALA 29 H ALA 29 16.508 -8.286 11.343 220 HA ALA 29 HA ALA 29 17.031 -9.319 13.942 221 HB1 ALA 29 3HB ALA 29 14.207 -9.719 12.870 222 HB2 ALA 29 1HB ALA 29 14.635 -8.847 14.336 223 HB3 ALA 29 2HB ALA 29 14.890 -10.585 14.248 224 H ALA 30 H ALA 30 14.954 -10.699 11.438 225 HA ALA 30 HA ALA 30 17.168 -12.414 10.443 226 HB1 ALA 30 3HB ALA 30 14.491 -13.461 11.446 227 HB2 ALA 30 1HB ALA 30 16.034 -13.659 12.269 228 HB3 ALA 30 2HB ALA 30 15.770 -14.427 10.702 229 H GLU 31 H GLU 31 16.870 -13.198 8.379 230 HA GLU 31 HA GLU 31 15.473 -11.582 6.551 231 HB2 GLU 31 1HB GLU 31 16.473 -14.437 6.221 232 HB3 GLU 31 2HB GLU 31 15.985 -13.378 4.894 233 HG2 GLU 31 1HG GLU 31 17.746 -11.759 5.534 234 HG3 GLU 31 2HG GLU 31 18.236 -12.807 6.861 235 H ALA 32 H ALA 32 13.325 -11.416 6.312 236 HA ALA 32 HA ALA 32 11.517 -13.612 7.096 237 HB1 ALA 32 3HB ALA 32 11.017 -11.310 7.862 238 HB2 ALA 32 1HB ALA 32 9.742 -11.927 6.808 239 HB3 ALA 32 2HB ALA 32 10.921 -10.770 6.186 240 H HIS 33 H HIS 33 9.951 -14.452 5.679 241 HA HIS 33 HA HIS 33 10.197 -13.889 2.775 242 HB2 HIS 33 1HB HIS 33 10.370 -16.685 3.980 243 HB3 HIS 33 2HB HIS 33 10.387 -16.283 2.260 244 HD1 HIS 33 HD1 HIS 33 12.548 -16.554 5.233 245 HD2 HIS 33 HD2 HIS 33 12.805 -14.811 1.455 246 HE1 HIS 33 HE1 HIS 33 14.993 -16.009 4.861 247 HE2 HIS 33 HE2 HIS 33 15.167 -14.945 2.563 248 H ASN 34 H ASN 34 8.497 -15.105 1.571 249 HA ASN 34 HA ASN 34 6.229 -15.242 1.143 250 HB2 ASN 34 1HB ASN 34 6.312 -16.663 3.828 251 HB3 ASN 34 2HB ASN 34 5.001 -16.782 2.654 252 HD21 ASN 34 2HD2 ASN 34 6.737 -18.990 3.618 253 HD22 ASN 34 1HD2 ASN 34 7.511 -19.611 2.240 254 H VAL 35 H VAL 35 6.492 -12.782 1.675 255 HA VAL 35 HA VAL 35 4.630 -12.006 3.889 256 HB VAL 35 HB VAL 35 6.736 -10.277 2.527 257 HG11 VAL 35 1HG1 VAL 35 5.045 -9.865 5.043 258 HG12 VAL 35 2HG1 VAL 35 4.856 -8.989 3.527 259 HG13 VAL 35 3HG1 VAL 35 6.316 -8.773 4.488 260 HG21 VAL 35 3HG2 VAL 35 7.830 -12.087 3.812 261 HG22 VAL 35 1HG2 VAL 35 6.798 -11.750 5.204 262 HG23 VAL 35 2HG2 VAL 35 7.997 -10.564 4.687 263 HA PRO 36 HA PRO 36 2.518 -10.907 -0.107 264 HB2 PRO 36 1HB PRO 36 0.076 -11.997 0.313 265 HB3 PRO 36 2HB PRO 36 1.465 -13.032 -0.104 266 HG2 PRO 36 1HG PRO 36 0.316 -12.453 2.632 267 HG3 PRO 36 2HG PRO 36 0.724 -14.029 1.916 268 HD2 PRO 36 1HD PRO 36 2.428 -12.703 3.615 269 HD3 PRO 36 2HD PRO 36 3.031 -13.751 2.314 270 H VAL 37 H VAL 37 2.223 -8.751 0.013 271 HA VAL 37 HA VAL 37 0.967 -7.459 2.278 272 HB VAL 37 HB VAL 37 2.786 -6.398 0.989 273 HG11 VAL 37 1HG1 VAL 37 0.763 -6.122 -1.283 274 HG12 VAL 37 2HG1 VAL 37 2.138 -7.227 -1.289 275 HG13 VAL 37 3HG1 VAL 37 2.402 -5.486 -1.259 276 HG21 VAL 37 3HG2 VAL 37 0.183 -4.817 0.778 277 HG22 VAL 37 1HG2 VAL 37 1.813 -4.150 0.842 278 HG23 VAL 37 2HG2 VAL 37 1.147 -4.981 2.249 279 H ALA 38 H ALA 38 -1.049 -6.469 2.349 280 HA ALA 38 HA ALA 38 -2.970 -7.042 0.125 281 HB1 ALA 38 3HB ALA 38 -3.450 -7.311 3.118 282 HB2 ALA 38 1HB ALA 38 -3.275 -8.648 1.980 283 HB3 ALA 38 2HB ALA 38 -4.657 -7.557 1.852 284 H VAL 39 H VAL 39 -3.802 -5.211 -0.622 285 HA VAL 39 HA VAL 39 -4.042 -2.831 1.163 286 HB VAL 39 HB VAL 39 -3.699 -2.854 -1.865 287 HG11 VAL 39 1HG1 VAL 39 -3.509 -0.614 0.194 288 HG12 VAL 39 2HG1 VAL 39 -4.834 -0.832 -0.946 289 HG13 VAL 39 3HG1 VAL 39 -3.224 -0.441 -1.531 290 HG21 VAL 39 3HG2 VAL 39 -1.645 -3.718 -0.790 291 HG22 VAL 39 1HG2 VAL 39 -1.639 -2.352 0.327 292 HG23 VAL 39 2HG2 VAL 39 -1.366 -2.088 -1.396 293 H TYR 40 H TYR 40 -5.929 -1.720 1.168 294 HA TYR 40 HA TYR 40 -8.109 -2.367 -0.673 295 HB2 TYR 40 1HB TYR 40 -9.656 -3.029 1.216 296 HB3 TYR 40 2HB TYR 40 -8.384 -4.206 0.895 297 HD1 TYR 40 HD1 TYR 40 -6.466 -4.488 2.454 298 HD2 TYR 40 HD2 TYR 40 -9.597 -1.638 3.289 299 HE1 TYR 40 HE1 TYR 40 -5.649 -4.259 4.788 300 HE2 TYR 40 HE2 TYR 40 -8.764 -1.422 5.613 301 HH TYR 40 HH TYR 40 -6.889 -3.501 7.109 302 H LEU 41 H LEU 41 -9.350 -0.604 -0.970 303 HA LEU 41 HA LEU 41 -8.824 1.814 0.642 304 HB2 LEU 41 1HB LEU 41 -10.116 1.245 -2.027 305 HB3 LEU 41 2HB LEU 41 -10.626 2.712 -1.194 306 HG LEU 41 HG LEU 41 -8.253 3.448 -1.062 307 HD11 LEU 41 1HD1 LEU 41 -7.700 0.923 -2.652 308 HD12 LEU 41 2HD1 LEU 41 -7.093 1.285 -1.044 309 HD13 LEU 41 3HD1 LEU 41 -6.523 2.210 -2.427 310 HD21 LEU 41 3HD2 LEU 41 -9.152 2.700 -3.871 311 HD22 LEU 41 1HD2 LEU 41 -7.950 3.934 -3.480 312 HD23 LEU 41 2HD2 LEU 41 -9.629 4.150 -2.986 313 H GLY 42 H GLY 42 -10.064 2.525 2.202 314 HA2 GLY 42 1HA GLY 42 -12.341 3.100 2.918 315 HA3 GLY 42 2HA GLY 42 -12.828 1.448 2.573 316 H ASN 43 H ASN 43 -13.502 1.153 4.700 317 HA ASN 43 HA ASN 43 -11.320 0.891 6.712 318 HB2 ASN 43 1HB ASN 43 -14.197 1.655 7.182 319 HB3 ASN 43 2HB ASN 43 -13.000 1.398 8.447 320 HD21 ASN 43 2HD2 ASN 43 -13.894 3.568 5.762 321 HD22 ASN 43 1HD2 ASN 43 -12.863 4.833 6.225 322 HA PRO 44 HA PRO 44 -12.259 -3.495 6.889 323 HB2 PRO 44 1HB PRO 44 -12.042 -3.151 9.910 324 HB3 PRO 44 2HB PRO 44 -11.294 -4.391 8.873 325 HG2 PRO 44 1HG PRO 44 -9.835 -2.348 9.783 326 HG3 PRO 44 2HG PRO 44 -9.629 -2.930 8.112 327 HD2 PRO 44 1HD PRO 44 -11.044 -0.427 9.068 328 HD3 PRO 44 2HD PRO 44 -10.080 -0.709 7.599 329 H ALA 45 H ALA 45 -13.877 -1.390 9.252 330 HA ALA 45 HA ALA 45 -16.032 -3.087 9.929 331 HB1 ALA 45 3HB ALA 45 -17.137 -1.018 10.713 332 HB2 ALA 45 1HB ALA 45 -15.949 -0.050 9.833 333 HB3 ALA 45 2HB ALA 45 -15.439 -1.046 11.193 334 H GLN 46 H GLN 46 -15.685 -0.662 7.357 335 HA GLN 46 HA GLN 46 -18.371 -0.970 6.338 336 HB2 GLN 46 1HB GLN 46 -15.864 0.220 5.085 337 HB3 GLN 46 2HB GLN 46 -17.487 0.351 4.405 338 HG2 GLN 46 1HG GLN 46 -18.259 1.528 6.442 339 HG3 GLN 46 2HG GLN 46 -16.650 1.394 7.140 340 HE21 GLN 46 2HE2 GLN 46 -17.176 3.925 7.088 341 HE22 GLN 46 1HE2 GLN 46 -16.602 4.746 5.718 342 H GLY 47 H GLY 47 -16.107 -3.228 6.518 343 HA2 GLY 47 1HA GLY 47 -15.758 -5.221 5.438 344 HA3 GLY 47 2HA GLY 47 -17.176 -4.869 4.452 345 H GLY 48 H GLY 48 -13.742 -4.015 4.839 346 HA2 GLY 48 1HA GLY 48 -13.356 -2.768 2.334 347 HA3 GLY 48 2HA GLY 48 -12.101 -3.503 3.323 348 H VAL 49 H VAL 49 -12.042 -3.639 0.538 349 HA VAL 49 HA VAL 49 -12.327 -6.568 0.078 350 HB VAL 49 HB VAL 49 -14.237 -5.406 -0.997 351 HG11 VAL 49 1HG1 VAL 49 -13.087 -3.198 -1.384 352 HG12 VAL 49 2HG1 VAL 49 -13.892 -3.810 -2.829 353 HG13 VAL 49 3HG1 VAL 49 -12.143 -3.943 -2.676 354 HG21 VAL 49 3HG2 VAL 49 -13.232 -7.451 -2.064 355 HG22 VAL 49 1HG2 VAL 49 -12.207 -6.409 -3.053 356 HG23 VAL 49 2HG2 VAL 49 -13.955 -6.364 -3.250 357 H GLU 50 H GLU 50 -10.693 -7.500 -1.031 358 HA GLU 50 HA GLU 50 -8.214 -6.026 -1.255 359 HB2 GLU 50 1HB GLU 50 -8.380 -8.454 -0.559 360 HB3 GLU 50 2HB GLU 50 -8.839 -8.858 -2.208 361 HG2 GLU 50 1HG GLU 50 -6.429 -9.258 -1.941 362 HG3 GLU 50 2HG GLU 50 -6.648 -7.885 -3.014 363 H ILE 51 H ILE 51 -7.272 -5.211 -3.043 364 HA ILE 51 HA ILE 51 -8.782 -5.274 -5.623 365 HB ILE 51 HB ILE 51 -6.620 -3.345 -4.685 366 HG12 ILE 51 1HG1 ILE 51 -9.647 -2.924 -4.886 367 HG13 ILE 51 2HG1 ILE 51 -8.803 -3.216 -3.369 368 HG21 ILE 51 1HG2 ILE 51 -6.790 -3.554 -7.182 369 HG22 ILE 51 2HG2 ILE 51 -7.377 -1.996 -6.650 370 HG23 ILE 51 3HG2 ILE 51 -8.525 -3.262 -7.078 371 HD11 ILE 51 3HD1 ILE 51 -7.421 -1.183 -3.783 372 HD12 ILE 51 1HD1 ILE 51 -9.143 -0.824 -3.642 373 HD13 ILE 51 2HD1 ILE 51 -8.375 -0.853 -5.228 374 H GLY 52 H GLY 52 -5.541 -5.650 -4.220 375 HA2 GLY 52 1HA GLY 52 -4.795 -7.688 -6.062 376 HA3 GLY 52 2HA GLY 52 -4.099 -6.142 -6.550 377 H ARG 53 H ARG 53 -2.572 -8.364 -5.779 378 HA ARG 53 HA ARG 53 -1.038 -7.219 -3.558 379 HB2 ARG 53 1HB ARG 53 -0.976 -9.425 -2.359 380 HB3 ARG 53 2HB ARG 53 -2.576 -8.682 -2.342 381 HG2 ARG 53 1HG ARG 53 -3.287 -10.133 -4.220 382 HG3 ARG 53 2HG ARG 53 -1.684 -10.864 -4.280 383 HD2 ARG 53 1HD ARG 53 -3.230 -12.312 -3.026 384 HD3 ARG 53 2HD ARG 53 -1.973 -11.687 -1.957 385 HE ARG 53 HE ARG 53 -4.226 -9.951 -1.912 386 HH11 ARG 53 1HH2 ARG 53 -3.183 -13.099 -0.856 387 HH12 ARG 53 2HH2 ARG 53 -4.257 -13.140 0.503 388 HH21 ARG 53 1HH1 ARG 53 -5.618 -10.017 -0.134 389 HH22 ARG 53 2HH1 ARG 53 -5.631 -11.400 0.908 390 H ASP 54 H ASP 54 1.023 -8.340 -3.271 391 HA ASP 54 HA ASP 54 1.964 -10.059 -5.445 392 HB2 ASP 54 1HB ASP 54 2.122 -7.754 -6.387 393 HB3 ASP 54 2HB ASP 54 3.162 -7.283 -5.047 394 H THR 55 H THR 55 3.062 -11.572 -4.367 395 HA THR 55 HA THR 55 4.231 -11.087 -1.767 396 HB THR 55 HB THR 55 4.542 -13.552 -3.533 397 HG1 THR 55 HG1 THR 55 2.583 -14.017 -3.025 398 HG21 THR 55 3HG2 THR 55 6.093 -13.448 -1.584 399 HG22 THR 55 1HG2 THR 55 4.876 -14.705 -1.363 400 HG23 THR 55 2HG2 THR 55 4.718 -13.170 -0.516 401 H ILE 56 H ILE 56 6.285 -10.632 -1.286 402 HA ILE 56 HA ILE 56 8.092 -9.891 -3.426 403 HB ILE 56 HB ILE 56 8.636 -9.944 -0.428 404 HG12 ILE 56 1HG1 ILE 56 6.587 -8.625 -0.802 405 HG13 ILE 56 2HG1 ILE 56 7.916 -7.556 -0.423 406 HG21 ILE 56 1HG2 ILE 56 9.877 -8.374 -2.728 407 HG22 ILE 56 2HG2 ILE 56 10.657 -9.659 -1.804 408 HG23 ILE 56 3HG2 ILE 56 10.256 -8.131 -1.029 409 HD11 ILE 56 3HD1 ILE 56 8.172 -7.296 -3.019 410 HD12 ILE 56 1HD1 ILE 56 6.871 -6.457 -2.181 411 HD13 ILE 56 2HD1 ILE 56 6.540 -7.957 -3.053 412 H SER 57 H SER 57 10.064 -10.860 -3.908 413 HA SER 57 HA SER 57 10.213 -13.691 -3.699 414 HB2 SER 57 1HB SER 57 12.409 -11.697 -4.381 415 HB3 SER 57 2HB SER 57 12.468 -13.431 -4.690 416 HG SER 57 HG SER 57 11.343 -11.494 -6.141 417 H ARG 58 H ARG 58 12.060 -11.120 -2.083 418 HA ARG 58 HA ARG 58 12.274 -12.506 0.401 419 HB2 ARG 58 1HB ARG 58 14.770 -12.942 0.316 420 HB3 ARG 58 2HB ARG 58 13.848 -13.975 -0.768 421 HG2 ARG 58 1HG ARG 58 14.366 -12.460 -2.672 422 HG3 ARG 58 2HG ARG 58 15.310 -11.437 -1.595 423 HD2 ARG 58 1HD ARG 58 15.900 -14.357 -2.165 424 HD3 ARG 58 2HD ARG 58 16.750 -12.989 -2.889 425 HE ARG 58 HE ARG 58 16.832 -12.705 -0.079 426 HH11 ARG 58 1HH2 ARG 58 18.066 -14.738 -2.618 427 HH12 ARG 58 2HH2 ARG 58 19.501 -15.170 -1.750 428 HH21 ARG 58 1HH1 ARG 58 18.704 -13.277 1.043 429 HH22 ARG 58 2HH1 ARG 58 19.859 -14.345 0.320 430 H ILE 59 H ILE 59 12.995 -11.156 1.995 431 HA ILE 59 HA ILE 59 14.005 -8.476 1.170 432 HB ILE 59 HB ILE 59 12.101 -9.053 3.458 433 HG12 ILE 59 1HG1 ILE 59 11.635 -7.555 0.841 434 HG13 ILE 59 2HG1 ILE 59 11.102 -9.211 1.120 435 HG21 ILE 59 1HG2 ILE 59 13.413 -6.468 2.445 436 HG22 ILE 59 2HG2 ILE 59 13.511 -7.133 4.071 437 HG23 ILE 59 3HG2 ILE 59 12.009 -6.444 3.491 438 HD11 ILE 59 3HD1 ILE 59 9.712 -8.426 3.018 439 HD12 ILE 59 1HD1 ILE 59 9.254 -7.661 1.512 440 HD13 ILE 59 2HD1 ILE 59 10.195 -6.763 2.683 441 HA PRO 60 HA PRO 60 17.270 -9.833 4.042 442 HB2 PRO 60 1HB PRO 60 19.058 -7.785 3.710 443 HB3 PRO 60 2HB PRO 60 18.793 -8.998 2.435 444 HG2 PRO 60 1HG PRO 60 17.571 -6.244 2.683 445 HG3 PRO 60 2HG PRO 60 18.365 -6.982 1.269 446 HD2 PRO 60 1HD PRO 60 15.660 -6.966 1.525 447 HD3 PRO 60 2HD PRO 60 16.490 -8.349 0.768 448 H VAL 61 H VAL 61 18.322 -8.959 6.007 449 HA VAL 61 HA VAL 61 16.429 -7.781 7.776 450 HB VAL 61 HB VAL 61 18.325 -7.815 9.392 451 HG11 VAL 61 1HG1 VAL 61 18.670 -10.270 9.362 452 HG12 VAL 61 2HG1 VAL 61 18.075 -10.327 7.702 453 HG13 VAL 61 3HG1 VAL 61 16.990 -9.859 9.011 454 HG21 VAL 61 3HG2 VAL 61 19.961 -8.713 6.980 455 HG22 VAL 61 1HG2 VAL 61 20.526 -8.771 8.649 456 HG23 VAL 61 2HG2 VAL 61 20.203 -7.223 7.887 457 H GLY 62 H GLY 62 16.219 -5.727 8.545 458 HA2 GLY 62 1HA GLY 62 16.485 -3.446 8.714 459 HA3 GLY 62 2HA GLY 62 18.164 -3.644 8.214 460 H GLY 63 H GLY 63 15.631 -4.930 6.228 461 HA2 GLY 63 1HA GLY 63 16.012 -2.779 4.189 462 HA3 GLY 63 2HA GLY 63 15.795 -4.487 3.838 463 H THR 64 H THR 64 14.105 -3.300 2.484 464 HA THR 64 HA THR 64 11.499 -3.474 3.882 465 HB THR 64 HB THR 64 10.705 -1.402 2.960 466 HG1 THR 64 HG1 THR 64 12.806 -1.796 1.261 467 HG21 THR 64 3HG2 THR 64 12.259 -1.214 4.983 468 HG22 THR 64 1HG2 THR 64 12.154 0.250 4.004 469 HG23 THR 64 2HG2 THR 64 13.552 -0.813 3.855 470 H GLY 65 H GLY 65 9.845 -2.856 1.873 471 HA2 GLY 65 1HA GLY 65 10.538 -4.575 -0.457 472 HA3 GLY 65 2HA GLY 65 9.113 -4.948 0.515 473 H LEU 66 H LEU 66 9.334 -4.163 -2.296 474 HA LEU 66 HA LEU 66 7.524 -1.819 -2.209 475 HB2 LEU 66 1HB LEU 66 10.081 -1.496 -3.096 476 HB3 LEU 66 2HB LEU 66 9.380 -2.107 -4.582 477 HG LEU 66 HG LEU 66 9.269 0.328 -4.627 478 HD11 LEU 66 1HD1 LEU 66 6.934 0.695 -5.069 479 HD12 LEU 66 2HD1 LEU 66 6.447 -0.617 -4.009 480 HD13 LEU 66 3HD1 LEU 66 7.279 -0.973 -5.524 481 HD21 LEU 66 3HD2 LEU 66 9.143 0.384 -1.900 482 HD22 LEU 66 1HD2 LEU 66 7.424 0.600 -2.244 483 HD23 LEU 66 2HD2 LEU 66 8.604 1.722 -2.899 484 H ALA 67 H ALA 67 5.628 -2.428 -2.846 485 HA ALA 67 HA ALA 67 5.320 -4.560 -4.914 486 HB1 ALA 67 3HB ALA 67 3.072 -4.839 -3.955 487 HB2 ALA 67 1HB ALA 67 3.379 -3.526 -2.811 488 HB3 ALA 67 2HB ALA 67 4.311 -5.021 -2.712 489 H ARG 68 H ARG 68 3.735 -4.260 -6.509 490 HA ARG 68 HA ARG 68 2.970 -1.416 -7.065 491 HB2 ARG 68 1HB ARG 68 4.876 -2.165 -8.503 492 HB3 ARG 68 2HB ARG 68 3.864 -3.460 -9.140 493 HG2 ARG 68 1HG ARG 68 2.241 -1.777 -10.006 494 HG3 ARG 68 2HG ARG 68 3.227 -0.478 -9.332 495 HD2 ARG 68 1HD ARG 68 3.681 -0.731 -11.736 496 HD3 ARG 68 2HD ARG 68 5.109 -1.175 -10.797 497 HE ARG 68 HE ARG 68 3.542 -3.490 -11.258 498 HH11 ARG 68 1HH2 ARG 68 5.540 -1.205 -12.964 499 HH12 ARG 68 2HH2 ARG 68 6.027 -2.344 -14.174 500 HH21 ARG 68 1HH1 ARG 68 4.187 -4.961 -12.838 501 HH22 ARG 68 2HH1 ARG 68 5.263 -4.466 -14.102 502 H VAL 69 H VAL 69 0.890 -1.154 -7.152 503 HA VAL 69 HA VAL 69 -0.856 -3.284 -8.258 504 HB VAL 69 HB VAL 69 -1.481 -1.722 -5.709 505 HG11 VAL 69 1HG1 VAL 69 -2.898 -4.040 -7.089 506 HG12 VAL 69 2HG1 VAL 69 -3.489 -2.383 -7.002 507 HG13 VAL 69 3HG1 VAL 69 -3.366 -3.349 -5.535 508 HG21 VAL 69 3HG2 VAL 69 -1.176 -3.944 -4.571 509 HG22 VAL 69 1HG2 VAL 69 0.327 -3.323 -5.251 510 HG23 VAL 69 2HG2 VAL 69 -0.556 -4.604 -6.085 511 H GLN 70 H GLN 70 -2.371 -2.544 -9.574 512 HA GLN 70 HA GLN 70 -2.642 0.409 -9.967 513 HB2 GLN 70 1HB GLN 70 -3.400 -0.209 -12.255 514 HB3 GLN 70 2HB GLN 70 -1.751 -0.739 -11.918 515 HG2 GLN 70 1HG GLN 70 -2.577 -3.032 -11.440 516 HG3 GLN 70 2HG GLN 70 -4.227 -2.517 -11.771 517 HE21 GLN 70 2HE2 GLN 70 -4.816 -2.053 -14.005 518 HE22 GLN 70 1HE2 GLN 70 -3.832 -2.565 -15.291 519 H TRP 71 H TRP 71 -4.612 1.349 -9.919 520 HA TRP 71 HA TRP 71 -7.049 -0.312 -9.662 521 HB2 TRP 71 1HB TRP 71 -6.312 0.125 -7.334 522 HB3 TRP 71 2HB TRP 71 -6.253 1.851 -7.667 523 HD1 TRP 71 HD1 TRP 71 -8.937 -0.919 -8.201 524 HE1 TRP 71 HE1 TRP 71 -11.209 0.015 -7.463 525 HE3 TRP 71 HE3 TRP 71 -7.522 3.756 -6.699 526 HZ2 TRP 71 HZ2 TRP 71 -12.302 2.426 -6.381 527 HZ3 TRP 71 HZ3 TRP 71 -9.202 5.354 -5.821 528 HH2 TRP 71 HH2 TRP 71 -11.591 4.695 -5.660 529 H LYS 72 H LYS 72 -8.742 0.522 -10.653 530 HA LYS 72 HA LYS 72 -8.402 3.027 -12.162 531 HB2 LYS 72 1HB LYS 72 -9.266 0.954 -13.258 532 HB3 LYS 72 2HB LYS 72 -10.695 1.018 -12.230 533 HG2 LYS 72 1HG LYS 72 -11.277 3.247 -13.166 534 HG3 LYS 72 2HG LYS 72 -9.822 3.213 -14.162 535 HD2 LYS 72 1HD LYS 72 -10.676 1.194 -15.330 536 HD3 LYS 72 2HD LYS 72 -12.135 1.240 -14.340 537 HE2 LYS 72 1HE LYS 72 -12.688 3.481 -15.256 538 HE3 LYS 72 2HE LYS 72 -11.223 3.441 -16.238 539 HZ1 LYS 72 3HZ LYS 72 -12.050 1.646 -17.489 540 HZ2 LYS 72 1HZ LYS 72 -13.320 2.763 -17.384 541 HZ3 LYS 72 2HZ LYS 72 -13.334 1.370 -16.412 542 H ALA 73 H ALA 73 -9.162 4.899 -11.412 543 HA ALA 73 HA ALA 73 -10.755 5.071 -9.016 544 HB1 ALA 73 3HB ALA 73 -9.095 6.802 -9.604 545 HB2 ALA 73 1HB ALA 73 -10.706 7.507 -9.458 546 HB3 ALA 73 2HB ALA 73 -10.013 7.208 -11.053 547 H THR 74 H THR 74 -12.935 5.055 -8.874 548 HA THR 74 HA THR 74 -14.672 6.182 -10.880 549 HB THR 74 HB THR 74 -14.238 4.125 -12.101 550 HG1 THR 74 HG1 THR 74 -16.292 3.711 -12.391 551 HG21 THR 74 3HG2 THR 74 -15.105 2.568 -9.630 552 HG22 THR 74 1HG2 THR 74 -13.417 2.760 -10.111 553 HG23 THR 74 2HG2 THR 74 -14.548 1.899 -11.155 554 H ARG 75 H ARG 75 -16.503 6.820 -9.915 555 HA ARG 75 HA ARG 75 -17.583 5.386 -7.568 556 HB2 ARG 75 1HB ARG 75 -16.800 8.328 -7.480 557 HB3 ARG 75 2HB ARG 75 -17.703 7.469 -6.227 558 HG2 ARG 75 1HG ARG 75 -15.750 5.907 -5.943 559 HG3 ARG 75 2HG ARG 75 -14.847 6.867 -7.117 560 HD2 ARG 75 1HD ARG 75 -14.245 7.537 -4.854 561 HD3 ARG 75 2HD ARG 75 -15.072 8.863 -5.675 562 HE ARG 75 HE ARG 75 -16.961 7.288 -4.256 563 HH11 ARG 75 1HH2 ARG 75 -14.365 9.542 -3.735 564 HH12 ARG 75 2HH2 ARG 75 -14.982 10.105 -2.218 565 HH21 ARG 75 1HH1 ARG 75 -17.764 8.036 -2.284 566 HH22 ARG 75 2HH1 ARG 75 -16.908 9.255 -1.402 567 H LYS 76 H LYS 76 -18.080 8.617 -9.008 568 HA LYS 76 HA LYS 76 -20.528 7.849 -10.306 569 HB2 LYS 76 1HB LYS 76 -21.214 7.904 -7.895 570 HB3 LYS 76 2HB LYS 76 -20.767 9.597 -7.822 571 HG2 LYS 76 1HG LYS 76 -22.447 10.182 -9.509 572 HG3 LYS 76 2HG LYS 76 -22.838 8.489 -9.788 573 HD2 LYS 76 1HD LYS 76 -23.116 9.479 -6.929 574 HD3 LYS 76 2HD LYS 76 -24.305 10.081 -8.077 575 HE2 LYS 76 1HE LYS 76 -25.021 7.959 -6.897 576 HE3 LYS 76 2HE LYS 76 -25.000 7.814 -8.655 577 HZ1 LYS 76 3HZ LYS 76 -23.955 5.905 -7.777 578 HZ2 LYS 76 1HZ LYS 76 -22.971 6.816 -6.742 579 HZ3 LYS 76 2HZ LYS 76 -22.720 6.874 -8.422 580 H LEU 77 H LEU 77 -21.410 9.503 -11.567 581 HA LEU 77 HA LEU 77 -19.548 11.384 -12.604 582 HB2 LEU 77 1HB LEU 77 -22.530 10.979 -12.947 583 HB3 LEU 77 2HB LEU 77 -21.736 12.354 -13.716 584 HG LEU 77 HG LEU 77 -20.214 10.808 -14.915 585 HD11 LEU 77 1HD1 LEU 77 -20.826 8.297 -14.872 586 HD12 LEU 77 2HD1 LEU 77 -21.752 8.652 -13.411 587 HD13 LEU 77 3HD1 LEU 77 -20.009 8.924 -13.446 588 HD21 LEU 77 3HD2 LEU 77 -21.904 9.819 -16.444 589 HD22 LEU 77 1HD2 LEU 77 -22.355 11.458 -15.977 590 HD23 LEU 77 2HD2 LEU 77 -23.152 10.075 -15.224 591 H ALA 78 H ALA 78 -18.850 12.438 -10.649 592 HA ALA 78 HA ALA 78 -20.690 14.240 -9.261 593 HB1 ALA 78 3HB ALA 78 -18.900 13.066 -8.015 594 HB2 ALA 78 1HB ALA 78 -18.712 14.819 -7.910 595 HB3 ALA 78 2HB ALA 78 -17.679 13.880 -8.992 596 H GLY 79 H GLY 79 -19.682 16.527 -8.886 597 HA2 GLY 79 1HA GLY 79 -18.164 17.803 -10.896 598 HA3 GLY 79 2HA GLY 79 -19.875 17.970 -11.293 599 H ARG 80 H ARG 80 -17.630 19.807 -10.212 600 HA ARG 80 HA ARG 80 -17.440 21.599 -8.814 601 HB2 ARG 80 1HB ARG 80 -19.544 22.165 -10.081 602 HB3 ARG 80 2HB ARG 80 -20.480 21.485 -8.754 603 HG2 ARG 80 1HG ARG 80 -19.403 23.135 -7.187 604 HG3 ARG 80 2HG ARG 80 -18.540 23.830 -8.559 605 HD2 ARG 80 1HD ARG 80 -21.565 23.687 -8.272 606 HD3 ARG 80 2HD ARG 80 -20.582 25.131 -8.010 607 HE ARG 80 HE ARG 80 -19.999 24.143 -10.580 608 HH11 ARG 80 1HH2 ARG 80 -22.647 25.542 -8.807 609 HH12 ARG 80 2HH2 ARG 80 -23.371 26.261 -10.206 610 HH21 ARG 80 1HH1 ARG 80 -20.957 25.081 -12.396 611 HH22 ARG 80 2HH1 ARG 80 -22.416 26.000 -12.232 612 H ALA 81 H ALA 81 -16.468 20.791 -6.978 613 HA ALA 81 HA ALA 81 -18.022 20.669 -4.556 614 HB1 ALA 81 3HB ALA 81 -18.513 18.404 -5.451 615 HB2 ALA 81 1HB ALA 81 -17.540 18.311 -3.982 616 HB3 ALA 81 2HB ALA 81 -16.787 18.072 -5.561 617 H ALA 82 H ALA 82 -16.377 19.428 -2.858 618 HA ALA 82 HA ALA 82 -13.583 19.984 -3.282 619 HB1 ALA 82 3HB ALA 82 -14.427 22.298 -3.022 620 HB2 ALA 82 1HB ALA 82 -13.391 21.842 -1.668 621 HB3 ALA 82 2HB ALA 82 -15.145 21.860 -1.473 622 H ASN 83 H ASN 83 -14.208 17.673 -2.651 623 HA ASN 83 HA ASN 83 -13.306 17.253 0.062 624 HB2 ASN 83 1HB ASN 83 -15.726 17.686 0.434 625 HB3 ASN 83 2HB ASN 83 -16.122 16.334 -0.627 626 HD21 ASN 83 2HD2 ASN 83 -16.947 14.833 0.953 627 HD22 ASN 83 1HD2 ASN 83 -16.026 14.255 2.255 628 HA PRO 84 HA PRO 84 -11.897 14.024 -2.975 629 HB2 PRO 84 1HB PRO 84 -10.319 13.368 -0.448 630 HB3 PRO 84 2HB PRO 84 -9.783 13.296 -2.136 631 HG2 PRO 84 1HG PRO 84 -9.096 15.373 -0.646 632 HG3 PRO 84 2HG PRO 84 -9.668 15.650 -2.312 633 HD2 PRO 84 1HD PRO 84 -11.176 16.069 0.282 634 HD3 PRO 84 2HD PRO 84 -11.206 17.051 -1.205 635 H GLY 85 H GLY 85 -11.706 12.556 0.232 636 HA2 GLY 85 1HA GLY 85 -13.099 11.012 1.301 637 HA3 GLY 85 2HA GLY 85 -14.248 11.110 -0.028 638 H VAL 86 H VAL 86 -11.062 10.688 -1.081 639 HA VAL 86 HA VAL 86 -11.449 7.743 -1.464 640 HB VAL 86 HB VAL 86 -9.753 9.594 -3.194 641 HG11 VAL 86 1HG1 VAL 86 -9.220 7.157 -3.303 642 HG12 VAL 86 2HG1 VAL 86 -9.920 7.719 -4.819 643 HG13 VAL 86 3HG1 VAL 86 -10.906 6.805 -3.678 644 HG21 VAL 86 3HG2 VAL 86 -11.672 9.458 -4.838 645 HG22 VAL 86 1HG2 VAL 86 -12.063 10.388 -3.391 646 HG23 VAL 86 2HG2 VAL 86 -12.646 8.737 -3.560 647 HA PRO 87 HA PRO 87 -7.600 8.490 1.126 648 HB2 PRO 87 1HB PRO 87 -8.190 6.955 3.305 649 HB3 PRO 87 2HB PRO 87 -8.887 8.583 3.124 650 HG2 PRO 87 1HG PRO 87 -10.134 5.932 2.344 651 HG3 PRO 87 2HG PRO 87 -10.815 7.198 3.401 652 HD2 PRO 87 1HD PRO 87 -11.511 7.119 0.803 653 HD3 PRO 87 2HD PRO 87 -11.181 8.679 1.594 654 H VAL 88 H VAL 88 -6.414 6.441 2.353 655 HA VAL 88 HA VAL 88 -6.571 4.005 0.700 656 HB VAL 88 HB VAL 88 -5.051 5.538 -0.536 657 HG11 VAL 88 1HG1 VAL 88 -4.190 6.789 1.472 658 HG12 VAL 88 2HG1 VAL 88 -2.905 6.244 0.405 659 HG13 VAL 88 3HG1 VAL 88 -3.228 5.387 1.909 660 HG21 VAL 88 3HG2 VAL 88 -4.672 3.072 -0.622 661 HG22 VAL 88 1HG2 VAL 88 -3.572 3.197 0.753 662 HG23 VAL 88 2HG2 VAL 88 -3.160 3.967 -0.777 663 H TYR 89 H TYR 89 -5.842 2.201 1.727 664 HA TYR 89 HA TYR 89 -4.443 2.437 4.333 665 HB2 TYR 89 1HB TYR 89 -7.079 0.978 3.874 666 HB3 TYR 89 2HB TYR 89 -6.080 0.787 5.315 667 HD1 TYR 89 HD2 TYR 89 -5.693 2.733 6.872 668 HD2 TYR 89 HD1 TYR 89 -8.434 3.032 3.550 669 HE1 TYR 89 HE2 TYR 89 -6.671 4.788 7.853 670 HE2 TYR 89 HE1 TYR 89 -9.396 5.092 4.550 671 HH TYR 89 HH TYR 89 -8.013 6.549 7.463 672 H ALA 90 H ALA 90 -3.074 0.826 4.735 673 HA ALA 90 HA ALA 90 -3.098 -1.647 3.115 674 HB1 ALA 90 3HB ALA 90 -0.742 -1.346 2.466 675 HB2 ALA 90 1HB ALA 90 -0.708 0.232 3.261 676 HB3 ALA 90 2HB ALA 90 -1.721 -0.017 1.840 677 H VAL 91 H VAL 91 -2.247 -3.364 4.146 678 HA VAL 91 HA VAL 91 -0.824 -2.981 6.722 679 HB VAL 91 HB VAL 91 -3.238 -4.827 6.405 680 HG11 VAL 91 1HG1 VAL 91 -1.578 -5.592 8.086 681 HG12 VAL 91 2HG1 VAL 91 -3.031 -5.011 8.894 682 HG13 VAL 91 3HG1 VAL 91 -1.590 -3.997 8.840 683 HG21 VAL 91 3HG2 VAL 91 -4.057 -2.518 6.374 684 HG22 VAL 91 1HG2 VAL 91 -3.012 -2.080 7.728 685 HG23 VAL 91 2HG2 VAL 91 -4.370 -3.179 7.974 686 H VAL 92 H VAL 92 0.599 -4.578 7.210 687 HA VAL 92 HA VAL 92 1.344 -6.409 5.032 688 HB VAL 92 HB VAL 92 3.048 -5.025 6.184 689 HG11 VAL 92 1HG1 VAL 92 3.715 -5.451 8.496 690 HG12 VAL 92 2HG1 VAL 92 2.510 -6.724 8.660 691 HG13 VAL 92 3HG1 VAL 92 1.997 -5.050 8.472 692 HG21 VAL 92 3HG2 VAL 92 3.418 -8.012 6.703 693 HG22 VAL 92 1HG2 VAL 92 4.708 -6.821 6.555 694 HG23 VAL 92 2HG2 VAL 92 3.702 -7.210 5.160 695 H ASP 93 H ASP 93 1.274 -8.626 5.171 696 HA ASP 93 HA ASP 93 -0.663 -9.787 6.893 697 HB2 ASP 93 1HB ASP 93 1.294 -10.891 4.879 698 HB3 ASP 93 2HB ASP 93 0.366 -12.004 5.887 699 HA PRO 94 HA PRO 94 2.020 -10.692 10.376 700 HB2 PRO 94 1HB PRO 94 0.592 -12.585 11.727 701 HB3 PRO 94 2HB PRO 94 -0.029 -10.926 11.546 702 HG2 PRO 94 1HG PRO 94 -0.699 -13.361 9.875 703 HG3 PRO 94 2HG PRO 94 -1.815 -12.218 10.661 704 HD2 PRO 94 1HD PRO 94 -1.154 -11.946 8.018 705 HD3 PRO 94 2HD PRO 94 -1.419 -10.529 9.059 706 H ASP 95 H ASP 95 3.181 -12.555 11.452 707 HA ASP 95 HA ASP 95 4.506 -14.191 9.483 708 HB2 ASP 95 1HB ASP 95 4.732 -14.165 12.516 709 HB3 ASP 95 2HB ASP 95 5.837 -14.984 11.414 710 H ASN 96 H ASN 96 1.583 -14.631 10.042 711 HA ASN 96 HA ASN 96 0.129 -16.378 10.058 712 HB2 ASN 96 1HB ASN 96 1.901 -17.445 8.552 713 HB3 ASN 96 2HB ASN 96 2.523 -18.269 9.973 714 HD21 ASN 96 2HD2 ASN 96 1.717 -20.368 10.156 715 HD22 ASN 96 1HD2 ASN 96 0.181 -20.868 9.630 716 H ARG 97 H ARG 97 0.741 -15.200 12.433 717 HA ARG 97 HA ARG 97 0.389 -17.436 14.379 718 HB2 ARG 97 1HB ARG 97 2.092 -14.951 14.797 719 HB3 ARG 97 2HB ARG 97 1.783 -16.213 15.996 720 HG2 ARG 97 1HG ARG 97 2.872 -17.883 14.496 721 HG3 ARG 97 2HG ARG 97 3.212 -16.600 13.336 722 HD2 ARG 97 1HD ARG 97 5.210 -17.007 14.693 723 HD3 ARG 97 2HD ARG 97 4.554 -15.419 15.090 724 HE ARG 97 HE ARG 97 4.091 -16.194 17.229 725 HH11 ARG 97 1HH2 ARG 97 4.581 -18.899 15.091 726 HH12 ARG 97 2HH2 ARG 97 4.517 -20.077 16.360 727 HH21 ARG 97 1HH1 ARG 97 3.994 -17.743 18.865 728 HH22 ARG 97 2HH1 ARG 97 4.187 -19.422 18.489 729 H VAL 98 H VAL 98 -0.939 -14.760 12.977 730 HA VAL 98 HA VAL 98 -2.655 -13.346 13.506 731 HB VAL 98 HB VAL 98 -3.296 -15.417 15.627 732 HG11 VAL 98 1HG1 VAL 98 -4.640 -13.347 15.845 733 HG12 VAL 98 2HG1 VAL 98 -5.647 -14.669 15.265 734 HG13 VAL 98 3HG1 VAL 98 -5.067 -13.445 14.137 735 HG21 VAL 98 3HG2 VAL 98 -2.995 -16.502 13.421 736 HG22 VAL 98 1HG2 VAL 98 -4.088 -15.325 12.691 737 HG23 VAL 98 2HG2 VAL 98 -4.698 -16.490 13.869 738 H ALA 99 H ALA 99 -1.808 -11.472 14.320 739 HA ALA 99 HA ALA 99 -1.872 -11.046 17.210 740 HB1 ALA 99 3HB ALA 99 0.739 -10.757 15.675 741 HB2 ALA 99 1HB ALA 99 0.390 -11.994 16.881 742 HB3 ALA 99 2HB ALA 99 0.475 -10.296 17.359 743 H GLU 100 H GLU 100 -3.149 -9.298 17.157 744 HA GLU 100 HA GLU 100 -3.113 -7.307 15.075 745 HB2 GLU 100 1HB GLU 100 -4.415 -7.280 17.829 746 HB3 GLU 100 2HB GLU 100 -4.733 -6.121 16.537 747 HG2 GLU 100 1HG GLU 100 -6.509 -7.777 16.434 748 HG3 GLU 100 2HG GLU 100 -5.454 -8.080 15.062 749 H SER 101 H SER 101 -0.728 -7.915 17.027 750 HA SER 101 HA SER 101 -0.204 -5.261 18.170 751 HB2 SER 101 1HB SER 101 1.461 -7.800 18.103 752 HB3 SER 101 2HB SER 101 1.862 -6.341 19.012 753 HG SER 101 HG SER 101 -0.191 -6.623 20.081 754 H ASP 102 H ASP 102 1.416 -7.454 15.842 755 HA ASP 102 HA ASP 102 3.359 -5.623 14.942 756 HB2 ASP 102 1HB ASP 102 3.438 -8.069 14.528 757 HB3 ASP 102 2HB ASP 102 2.070 -7.931 13.428 758 H LYS 103 H LYS 103 0.082 -6.309 13.756 759 HA LYS 103 HA LYS 103 0.118 -4.707 11.437 760 HB2 LYS 103 1HB LYS 103 -2.180 -5.386 13.314 761 HB3 LYS 103 2HB LYS 103 -2.384 -4.675 11.710 762 HG2 LYS 103 1HG LYS 103 -1.276 -6.642 10.689 763 HG3 LYS 103 2HG LYS 103 -1.067 -7.360 12.288 764 HD2 LYS 103 1HD LYS 103 -3.527 -7.423 12.595 765 HD3 LYS 103 2HD LYS 103 -3.751 -6.676 11.014 766 HE2 LYS 103 1HE LYS 103 -2.673 -8.617 9.936 767 HE3 LYS 103 2HE LYS 103 -2.423 -9.368 11.511 768 HZ1 LYS 103 3HZ LYS 103 -5.002 -8.932 11.666 769 HZ2 LYS 103 1HZ LYS 103 -4.376 -10.329 10.937 770 HZ3 LYS 103 2HZ LYS 103 -4.883 -9.024 9.974 771 H ALA 104 H ALA 104 -1.297 -3.878 14.618 772 HA ALA 104 HA ALA 104 -1.858 -1.208 14.173 773 HB1 ALA 104 3HB ALA 104 -1.705 -0.918 16.622 774 HB2 ALA 104 1HB ALA 104 -0.823 -2.445 16.748 775 HB3 ALA 104 2HB ALA 104 -2.503 -2.440 16.217 776 H ASN 105 H ASN 105 1.230 -2.669 15.082 777 HA ASN 105 HA ASN 105 2.641 -0.102 15.206 778 HB2 ASN 105 1HB ASN 105 3.623 -2.976 15.427 779 HB3 ASN 105 2HB ASN 105 4.603 -1.539 15.718 780 HD21 ASN 105 2HD2 ASN 105 1.238 -2.381 16.750 781 HD22 ASN 105 1HD2 ASN 105 1.539 -2.134 18.401 782 H ASN 106 H ASN 106 1.358 -0.820 12.689 783 HA ASN 106 HA ASN 106 3.486 -0.193 10.888 784 HB2 ASN 106 1HB ASN 106 3.961 -2.656 11.224 785 HB3 ASN 106 2HB ASN 106 2.362 -3.019 10.600 786 HD21 ASN 106 2HD2 ASN 106 2.160 -3.154 8.321 787 HD22 ASN 106 1HD2 ASN 106 3.390 -2.718 7.236 788 H VAL 107 H VAL 107 1.137 1.077 11.367 789 HA VAL 107 HA VAL 107 -0.631 0.450 9.036 790 HB VAL 107 HB VAL 107 -1.285 2.214 11.436 791 HG11 VAL 107 1HG1 VAL 107 -2.630 2.695 9.401 792 HG12 VAL 107 2HG1 VAL 107 -3.628 1.916 10.623 793 HG13 VAL 107 3HG1 VAL 107 -3.028 0.984 9.251 794 HG21 VAL 107 3HG2 VAL 107 -1.963 -0.710 10.900 795 HG22 VAL 107 1HG2 VAL 107 -2.668 0.263 12.194 796 HG23 VAL 107 2HG2 VAL 107 -0.944 -0.088 12.199 797 H PHE 108 H PHE 108 -0.951 1.941 7.480 798 HA PHE 108 HA PHE 108 0.107 4.689 7.778 799 HB2 PHE 108 1HB PHE 108 0.902 2.865 5.464 800 HB3 PHE 108 2HB PHE 108 1.401 4.537 5.712 801 HD1 PHE 108 HD1 PHE 108 2.535 5.084 8.061 802 HD2 PHE 108 HD2 PHE 108 2.356 1.127 6.332 803 HE1 PHE 108 HE1 PHE 108 4.429 4.359 9.487 804 HE2 PHE 108 HE2 PHE 108 4.240 0.424 7.774 805 HZ PHE 108 HZ PHE 108 5.275 2.034 9.346 806 H SER 109 H SER 109 -0.935 6.179 6.553 807 HA SER 109 HA SER 109 -2.624 5.578 4.322 808 HB2 SER 109 1HB SER 109 -4.145 4.641 5.969 809 HB3 SER 109 2HB SER 109 -3.927 6.034 7.025 810 HG SER 109 HG SER 109 -5.436 6.991 5.936 811 H ARG 110 H ARG 110 -3.023 7.398 3.208 812 HA ARG 110 HA ARG 110 -2.699 10.058 4.525 813 HB2 ARG 110 1HB ARG 110 -1.306 10.817 2.662 814 HB3 ARG 110 2HB ARG 110 -0.558 9.414 3.432 815 HG2 ARG 110 1HG ARG 110 -1.498 7.943 1.644 816 HG3 ARG 110 2HG ARG 110 -2.207 9.359 0.863 817 HD2 ARG 110 1HD ARG 110 0.756 8.936 1.342 818 HD3 ARG 110 2HD ARG 110 -0.075 8.744 -0.205 819 HE ARG 110 HE ARG 110 -0.655 11.317 0.759 820 HH11 ARG 110 1HH2 ARG 110 2.083 9.469 -0.347 821 HH12 ARG 110 2HH2 ARG 110 2.932 10.852 -0.950 822 HH21 ARG 110 1HH1 ARG 110 0.464 13.106 -0.026 823 HH22 ARG 110 2HH1 ARG 110 2.017 12.907 -0.768 824 H ILE 111 H ILE 111 -3.711 11.778 3.443 825 HA ILE 111 HA ILE 111 -6.160 10.956 2.074 826 HB ILE 111 HB ILE 111 -5.202 13.790 2.682 827 HG12 ILE 111 1HG1 ILE 111 -5.108 12.604 4.812 828 HG13 ILE 111 2HG1 ILE 111 -6.568 13.583 4.815 829 HG21 ILE 111 1HG2 ILE 111 -7.636 14.292 2.708 830 HG22 ILE 111 2HG2 ILE 111 -7.984 12.607 2.333 831 HG23 ILE 111 3HG2 ILE 111 -7.145 13.615 1.153 832 HD11 ILE 111 3HD1 ILE 111 -6.310 10.589 4.500 833 HD12 ILE 111 1HD1 ILE 111 -7.789 11.422 4.011 834 HD13 ILE 111 2HD1 ILE 111 -7.251 11.485 5.686 835 H VAL 112 H VAL 112 -6.353 10.833 -0.067 836 HA VAL 112 HA VAL 112 -4.249 11.918 -1.833 837 HB VAL 112 HB VAL 112 -6.661 10.201 -2.591 838 HG11 VAL 112 1HG1 VAL 112 -5.216 9.592 -4.532 839 HG12 VAL 112 2HG1 VAL 112 -3.972 10.692 -3.947 840 HG13 VAL 112 3HG1 VAL 112 -5.520 11.328 -4.490 841 HG21 VAL 112 3HG2 VAL 112 -3.860 9.391 -1.696 842 HG22 VAL 112 1HG2 VAL 112 -5.020 8.286 -2.442 843 HG23 VAL 112 2HG2 VAL 112 -5.372 9.008 -0.874 844 H LYS 113 H LYS 113 -4.560 14.058 -2.205 845 HA LYS 113 HA LYS 113 -7.245 15.178 -2.645 846 HB2 LYS 113 1HB LYS 113 -4.483 16.467 -2.657 847 HB3 LYS 113 2HB LYS 113 -6.018 17.333 -2.774 848 HG2 LYS 113 1HG LYS 113 -6.695 16.410 -0.553 849 HG3 LYS 113 2HG LYS 113 -5.138 15.588 -0.432 850 HD2 LYS 113 1HD LYS 113 -3.977 17.784 -0.523 851 HD3 LYS 113 2HD LYS 113 -5.535 18.601 -0.642 852 HE2 LYS 113 1HE LYS 113 -6.181 17.691 1.577 853 HE3 LYS 113 2HE LYS 113 -4.614 16.886 1.697 854 HZ1 LYS 113 3HZ LYS 113 -3.531 19.039 1.557 855 HZ2 LYS 113 1HZ LYS 113 -4.617 19.009 2.860 856 HZ3 LYS 113 2HZ LYS 113 -5.036 19.816 1.425 857 H VAL 114 H VAL 114 -8.021 14.562 -4.601 858 HA VAL 114 HA VAL 114 -6.315 14.884 -7.030 859 HB VAL 114 HB VAL 114 -7.308 12.643 -6.615 860 HG11 VAL 114 1HG1 VAL 114 -9.478 13.538 -5.532 861 HG12 VAL 114 2HG1 VAL 114 -9.690 12.226 -6.689 862 HG13 VAL 114 3HG1 VAL 114 -10.051 13.882 -7.166 863 HG21 VAL 114 3HG2 VAL 114 -8.477 14.061 -9.049 864 HG22 VAL 114 1HG2 VAL 114 -8.234 12.323 -8.888 865 HG23 VAL 114 2HG2 VAL 114 -6.842 13.406 -8.946 866 H LEU 115 H LEU 115 -6.716 16.519 -8.346 867 HA LEU 115 HA LEU 115 -9.033 18.295 -7.877 868 HB2 LEU 115 1HB LEU 115 -6.441 18.502 -9.439 869 HB3 LEU 115 2HB LEU 115 -7.745 19.650 -9.743 870 HG LEU 115 HG LEU 115 -7.722 20.314 -7.351 871 HD11 LEU 115 1HD1 LEU 115 -5.716 19.498 -5.938 872 HD12 LEU 115 2HD1 LEU 115 -5.523 18.217 -7.139 873 HD13 LEU 115 3HD1 LEU 115 -7.015 18.342 -6.203 874 HD21 LEU 115 3HD2 LEU 115 -4.964 20.405 -8.632 875 HD22 LEU 115 1HD2 LEU 115 -5.534 21.474 -7.348 876 HD23 LEU 115 2HD2 LEU 115 -6.278 21.540 -8.945 877 H GLU 116 H GLU 116 -9.888 19.263 -10.020 878 HA GLU 116 HA GLU 116 -10.151 17.534 -12.293 879 HB2 GLU 116 1HB GLU 116 -12.592 16.977 -11.929 880 HB3 GLU 116 2HB GLU 116 -11.512 16.153 -10.807 881 HG2 GLU 116 1HG GLU 116 -11.986 17.863 -9.068 882 HG3 GLU 116 2HG GLU 116 -13.058 18.708 -10.179 883 H HIS 117 H HIS 117 -9.481 20.202 -11.996 884 HA HIS 117 HA HIS 117 -11.397 21.434 -13.762 885 HB2 HIS 117 1HB HIS 117 -12.491 21.813 -11.556 886 HB3 HIS 117 2HB HIS 117 -11.040 22.627 -10.978 887 HD1 HIS 117 HD1 HIS 117 -11.145 25.112 -11.227 888 HD2 HIS 117 HD2 HIS 117 -13.426 23.189 -14.137 889 HE1 HIS 117 HE1 HIS 117 -12.170 26.936 -12.656 890 HE2 HIS 117 HE2 HIS 117 -13.564 25.777 -14.435 891 H HIS 118 H HIS 118 -9.929 22.081 -15.204 892 HA HIS 118 HA HIS 118 -7.913 24.088 -14.427 893 HB2 HIS 118 1HB HIS 118 -7.167 21.526 -15.900 894 HB3 HIS 118 2HB HIS 118 -6.089 22.890 -15.593 895 HD1 HIS 118 HD1 HIS 118 -7.105 19.729 -14.182 896 HD2 HIS 118 HD2 HIS 118 -5.866 23.385 -12.610 897 HE1 HIS 118 HE1 HIS 118 -6.408 19.280 -11.794 898 HE2 HIS 118 HE2 HIS 118 -5.656 21.500 -10.815 899 H HIS 119 H HIS 119 -7.014 25.192 -16.252 900 HA HIS 119 HA HIS 119 -8.016 24.794 -18.902 901 HB2 HIS 119 1HB HIS 119 -10.068 25.752 -17.623 902 HB3 HIS 119 2HB HIS 119 -9.167 27.253 -17.494 903 HD1 HIS 119 HD1 HIS 119 -9.872 24.796 -20.331 904 HD2 HIS 119 HD2 HIS 119 -9.913 28.898 -19.590 905 HE1 HIS 119 HE1 HIS 119 -10.543 25.908 -22.504 906 HE2 HIS 119 HE2 HIS 119 -10.574 28.409 -22.070 907 H HIS 120 H HIS 120 -7.996 27.908 -19.098 908 HA HIS 120 HA HIS 120 -6.459 29.440 -19.871 909 HB2 HIS 120 1HB HIS 120 -4.820 28.331 -17.557 910 HB3 HIS 120 2HB HIS 120 -4.588 29.897 -18.333 911 HD1 HIS 120 HD1 HIS 120 -7.007 31.371 -18.326 912 HD2 HIS 120 HD2 HIS 120 -6.403 28.546 -15.319 913 HE1 HIS 120 HE1 HIS 120 -8.589 31.978 -16.444 914 HE2 HIS 120 HE2 HIS 120 -8.232 30.265 -14.602 915 H HIS 121 H HIS 121 -6.333 27.798 -21.727 916 HA HIS 121 HA HIS 121 -3.584 27.497 -22.503 917 HB2 HIS 121 1HB HIS 121 -3.895 25.494 -20.979 918 HB3 HIS 121 2HB HIS 121 -5.150 24.907 -22.067 919 HD1 HIS 121 HD1 HIS 121 -4.370 23.611 -24.102 920 HD2 HIS 121 HD2 HIS 121 -1.257 25.702 -22.281 921 HE1 HIS 121 HE1 HIS 121 -2.250 22.947 -25.321 922 HE2 HIS 121 HE2 HIS 121 -0.344 24.215 -24.222 923 H HIS 122 H HIS 122 -6.557 28.260 -23.239 924 HA HIS 122 HA HIS 122 -7.823 28.435 -25.137 925 HB2 HIS 122 1HB HIS 122 -5.146 27.968 -26.509 926 HB3 HIS 122 2HB HIS 122 -6.572 28.696 -27.244 927 HD1 HIS 122 HD1 HIS 122 -7.439 30.964 -25.990 928 HD2 HIS 122 HD2 HIS 122 -3.519 29.788 -25.191 929 HE1 HIS 122 HE1 HIS 122 -6.271 32.984 -25.005 930 HE2 HIS 122 HE2 HIS 122 -3.881 32.283 -24.512 Start of MODEL 6 1 H1 MET 1 1H MET 1 10.590 10.484 6.578 2 H2 MET 1 2H MET 1 11.853 11.310 7.357 3 H3 MET 1 3H MET 1 12.172 9.877 6.498 4 HA MET 1 HA MET 1 11.491 12.552 5.460 5 HB2 MET 1 1HB MET 1 13.880 11.944 5.816 6 HB3 MET 1 2HB MET 1 13.682 10.536 4.783 7 HG2 MET 1 1HG MET 1 13.150 11.999 2.859 8 HG3 MET 1 2HG MET 1 13.260 13.423 3.888 9 HE1 MET 1 3HE MET 1 15.457 14.815 3.944 10 HE2 MET 1 1HE MET 1 16.924 14.006 4.507 11 HE3 MET 1 2HE MET 1 15.421 13.835 5.406 12 H ASP 2 H ASP 2 12.225 9.326 4.098 13 HA ASP 2 HA ASP 2 10.630 9.743 1.767 14 HB2 ASP 2 1HB ASP 2 11.729 7.178 2.994 15 HB3 ASP 2 2HB ASP 2 11.064 7.321 1.367 16 H LEU 3 H LEU 3 8.489 9.532 1.527 17 HA LEU 3 HA LEU 3 6.783 8.966 3.692 18 HB2 LEU 3 1HB LEU 3 6.182 9.086 0.732 19 HB3 LEU 3 2HB LEU 3 4.937 9.059 1.968 20 HG LEU 3 HG LEU 3 7.109 11.211 1.946 21 HD11 LEU 3 1HD1 LEU 3 4.357 11.370 0.636 22 HD12 LEU 3 2HD1 LEU 3 5.898 11.343 -0.222 23 HD13 LEU 3 3HD1 LEU 3 5.486 12.718 0.798 24 HD21 LEU 3 3HD2 LEU 3 5.911 11.114 4.074 25 HD22 LEU 3 1HD2 LEU 3 4.353 11.062 3.257 26 HD23 LEU 3 2HD2 LEU 3 5.334 12.523 3.218 27 HA PRO 4 HA PRO 4 6.629 4.497 3.432 28 HB2 PRO 4 1HB PRO 4 4.298 3.909 4.740 29 HB3 PRO 4 2HB PRO 4 5.691 4.616 5.594 30 HG2 PRO 4 1HG PRO 4 3.276 6.044 4.462 31 HG3 PRO 4 2HG PRO 4 3.964 6.160 6.102 32 HD2 PRO 4 1HD PRO 4 4.583 8.023 4.204 33 HD3 PRO 4 2HD PRO 4 5.819 7.476 5.366 34 H ILE 5 H ILE 5 3.986 6.410 2.182 35 HA ILE 5 HA ILE 5 3.344 4.286 0.159 36 HB ILE 5 HB ILE 5 1.371 6.191 1.508 37 HG12 ILE 5 1HG1 ILE 5 1.607 3.139 1.744 38 HG13 ILE 5 2HG1 ILE 5 2.199 4.256 2.964 39 HG21 ILE 5 1HG2 ILE 5 0.723 5.700 -0.840 40 HG22 ILE 5 2HG2 ILE 5 -0.344 4.831 0.237 41 HG23 ILE 5 3HG2 ILE 5 0.968 3.978 -0.572 42 HD11 ILE 5 3HD1 ILE 5 -0.054 5.150 3.286 43 HD12 ILE 5 1HD1 ILE 5 -0.021 3.414 3.568 44 HD13 ILE 5 2HD1 ILE 5 -0.688 4.040 2.070 45 H THR 6 H THR 6 3.460 4.940 -1.892 46 HA THR 6 HA THR 6 3.330 7.845 -2.569 47 HB THR 6 HB THR 6 5.684 7.439 -2.641 48 HG1 THR 6 HG1 THR 6 4.483 8.155 -4.671 49 HG21 THR 6 3HG2 THR 6 5.677 4.968 -2.494 50 HG22 THR 6 1HG2 THR 6 6.702 5.521 -3.817 51 HG23 THR 6 2HG2 THR 6 5.104 4.875 -4.157 52 H LEU 7 H LEU 7 1.953 8.278 -4.115 53 HA LEU 7 HA LEU 7 0.832 6.109 -5.810 54 HB2 LEU 7 1HB LEU 7 -0.224 8.784 -4.858 55 HB3 LEU 7 2HB LEU 7 -1.094 7.772 -6.005 56 HG LEU 7 HG LEU 7 -0.240 6.577 -3.313 57 HD11 LEU 7 1HD1 LEU 7 -1.402 8.622 -2.672 58 HD12 LEU 7 2HD1 LEU 7 -2.430 7.235 -2.334 59 HD13 LEU 7 3HD1 LEU 7 -2.744 8.241 -3.752 60 HD21 LEU 7 3HD2 LEU 7 -1.274 5.179 -5.228 61 HD22 LEU 7 1HD2 LEU 7 -2.768 6.055 -4.951 62 HD23 LEU 7 2HD2 LEU 7 -2.074 5.058 -3.675 63 H SER 8 H SER 8 0.728 6.361 -8.008 64 HA SER 8 HA SER 8 2.625 8.174 -9.254 65 HB2 SER 8 1HB SER 8 2.357 5.914 -10.144 66 HB3 SER 8 2HB SER 8 0.649 6.205 -10.451 67 HG SER 8 HG SER 8 2.772 6.802 -11.964 68 H LYS 9 H LYS 9 0.501 9.520 -7.873 69 HA LYS 9 HA LYS 9 -1.447 10.489 -9.771 70 HB2 LYS 9 1HB LYS 9 -1.578 10.379 -7.157 71 HB3 LYS 9 2HB LYS 9 -0.691 11.897 -7.165 72 HG2 LYS 9 1HG LYS 9 -2.477 12.928 -8.583 73 HG3 LYS 9 2HG LYS 9 -3.358 11.396 -8.574 74 HD2 LYS 9 1HD LYS 9 -3.387 11.571 -5.987 75 HD3 LYS 9 2HD LYS 9 -2.802 13.225 -6.192 76 HE2 LYS 9 1HE LYS 9 -5.244 13.232 -5.965 77 HE3 LYS 9 2HE LYS 9 -4.828 13.705 -7.609 78 HZ1 LYS 9 3HZ LYS 9 -6.317 11.457 -6.698 79 HZ2 LYS 9 1HZ LYS 9 -5.007 10.956 -7.652 80 HZ3 LYS 9 2HZ LYS 9 -6.141 12.057 -8.277 81 H GLU 10 H GLU 10 0.927 10.713 -11.018 82 HA GLU 10 HA GLU 10 2.351 13.138 -10.761 83 HB2 GLU 10 1HB GLU 10 1.794 11.489 -13.265 84 HB3 GLU 10 2HB GLU 10 3.071 12.697 -13.109 85 HG2 GLU 10 1HG GLU 10 2.844 10.176 -11.403 86 HG3 GLU 10 2HG GLU 10 3.917 10.362 -12.782 87 H THR 11 H THR 11 -0.535 12.323 -12.637 88 HA THR 11 HA THR 11 -0.997 15.216 -13.276 89 HB THR 11 HB THR 11 -2.271 14.420 -15.194 90 HG1 THR 11 HG1 THR 11 -3.052 12.501 -14.787 91 HG21 THR 11 3HG2 THR 11 -0.430 13.478 -16.523 92 HG22 THR 11 1HG2 THR 11 0.431 13.021 -15.053 93 HG23 THR 11 2HG2 THR 11 0.210 14.728 -15.452 94 HA PRO 12 HA PRO 12 -4.228 14.007 -10.075 95 HB2 PRO 12 1HB PRO 12 -4.487 17.032 -10.324 96 HB3 PRO 12 2HB PRO 12 -4.649 16.018 -8.867 97 HG2 PRO 12 1HG PRO 12 -2.385 17.313 -9.237 98 HG3 PRO 12 2HG PRO 12 -2.310 15.593 -8.773 99 HD2 PRO 12 1HD PRO 12 -1.902 16.798 -11.541 100 HD3 PRO 12 2HD PRO 12 -0.989 15.495 -10.736 101 H PHE 13 H PHE 13 -6.004 13.104 -11.022 102 HA PHE 13 HA PHE 13 -8.041 14.702 -12.266 103 HB2 PHE 13 1HB PHE 13 -6.376 14.469 -14.169 104 HB3 PHE 13 2HB PHE 13 -6.594 12.730 -14.108 105 HD1 PHE 13 HD1 PHE 13 -8.237 15.976 -14.893 106 HD2 PHE 13 HD2 PHE 13 -8.724 11.693 -14.887 107 HE1 PHE 13 HE1 PHE 13 -10.284 16.200 -16.268 108 HE2 PHE 13 HE2 PHE 13 -10.767 11.928 -16.263 109 HZ PHE 13 HZ PHE 13 -11.551 14.180 -16.954 110 H GLU 14 H GLU 14 -9.802 13.770 -11.411 111 HA GLU 14 HA GLU 14 -9.953 11.200 -10.281 112 HB2 GLU 14 1HB GLU 14 -11.555 13.064 -9.823 113 HB3 GLU 14 2HB GLU 14 -12.275 12.824 -11.412 114 HG2 GLU 14 1HG GLU 14 -12.917 10.503 -10.768 115 HG3 GLU 14 2HG GLU 14 -12.167 10.734 -9.190 116 H GLY 15 H GLY 15 -10.764 9.219 -10.996 117 HA2 GLY 15 1HA GLY 15 -11.588 7.628 -12.498 118 HA3 GLY 15 2HA GLY 15 -11.599 8.822 -13.789 119 H GLU 16 H GLU 16 -8.760 9.585 -13.032 120 HA GLU 16 HA GLU 16 -7.400 7.897 -14.888 121 HB2 GLU 16 1HB GLU 16 -6.756 10.266 -14.395 122 HB3 GLU 16 2HB GLU 16 -6.170 9.767 -12.811 123 HG2 GLU 16 1HG GLU 16 -4.510 8.261 -13.900 124 HG3 GLU 16 2HG GLU 16 -5.121 8.733 -15.484 125 H GLU 17 H GLU 17 -5.940 6.243 -14.570 126 HA GLU 17 HA GLU 17 -6.278 4.675 -12.154 127 HB2 GLU 17 1HB GLU 17 -6.088 3.670 -14.449 128 HB3 GLU 17 2HB GLU 17 -4.404 4.182 -14.517 129 HG2 GLU 17 1HG GLU 17 -3.915 2.807 -12.498 130 HG3 GLU 17 2HG GLU 17 -5.599 2.303 -12.434 131 H ILE 18 H ILE 18 -4.876 4.448 -10.502 132 HA ILE 18 HA ILE 18 -2.258 5.910 -10.570 133 HB ILE 18 HB ILE 18 -2.602 6.445 -8.189 134 HG12 ILE 18 1HG1 ILE 18 -5.435 5.348 -8.594 135 HG13 ILE 18 2HG1 ILE 18 -4.193 4.582 -7.618 136 HG21 ILE 18 1HG2 ILE 18 -4.286 8.242 -8.532 137 HG22 ILE 18 2HG2 ILE 18 -4.900 7.410 -9.959 138 HG23 ILE 18 3HG2 ILE 18 -3.272 8.081 -9.958 139 HD11 ILE 18 3HD1 ILE 18 -5.966 6.813 -6.947 140 HD12 ILE 18 1HD1 ILE 18 -4.288 7.186 -6.558 141 HD13 ILE 18 2HD1 ILE 18 -5.053 5.757 -5.876 142 H THR 19 H THR 19 -0.531 4.952 -9.591 143 HA THR 19 HA THR 19 -0.724 2.042 -9.234 144 HB THR 19 HB THR 19 1.771 3.793 -9.041 145 HG1 THR 19 HG1 THR 19 0.790 2.392 -11.289 146 HG21 THR 19 3HG2 THR 19 2.939 1.695 -9.656 147 HG22 THR 19 1HG2 THR 19 1.400 0.839 -9.708 148 HG23 THR 19 2HG2 THR 19 2.011 1.461 -8.176 149 H VAL 20 H VAL 20 -1.300 1.303 -7.297 150 HA VAL 20 HA VAL 20 -0.738 2.851 -4.844 151 HB VAL 20 HB VAL 20 -2.320 0.249 -5.136 152 HG11 VAL 20 1HG1 VAL 20 -2.235 2.391 -2.960 153 HG12 VAL 20 2HG1 VAL 20 -1.627 0.742 -2.816 154 HG13 VAL 20 3HG1 VAL 20 -3.356 1.032 -2.988 155 HG21 VAL 20 3HG2 VAL 20 -3.331 2.015 -6.554 156 HG22 VAL 20 1HG2 VAL 20 -3.305 3.143 -5.197 157 HG23 VAL 20 2HG2 VAL 20 -4.338 1.713 -5.147 158 H SER 21 H SER 21 1.172 2.527 -3.923 159 HA SER 21 HA SER 21 2.312 -0.223 -3.711 160 HB2 SER 21 1HB SER 21 3.624 0.966 -5.368 161 HB3 SER 21 2HB SER 21 3.683 2.406 -4.355 162 HG SER 21 HG SER 21 5.559 0.885 -4.337 163 H ALA 22 H ALA 22 2.918 -0.787 -1.735 164 HA ALA 22 HA ALA 22 2.993 1.254 0.458 165 HB1 ALA 22 3HB ALA 22 2.118 -0.530 1.919 166 HB2 ALA 22 1HB ALA 22 2.062 -1.639 0.544 167 HB3 ALA 22 2HB ALA 22 1.016 -0.222 0.576 168 H ARG 23 H ARG 23 4.908 1.407 1.438 169 HA ARG 23 HA ARG 23 7.067 -0.470 0.826 170 HB2 ARG 23 1HB ARG 23 6.939 2.019 2.583 171 HB3 ARG 23 2HB ARG 23 8.414 1.089 2.297 172 HG2 ARG 23 1HG ARG 23 8.206 1.507 -0.149 173 HG3 ARG 23 2HG ARG 23 6.739 2.443 0.135 174 HD2 ARG 23 1HD ARG 23 8.027 4.068 1.474 175 HD3 ARG 23 2HD ARG 23 9.493 3.122 1.254 176 HE ARG 23 HE ARG 23 8.313 4.953 -0.638 177 HH11 ARG 23 1HH2 ARG 23 10.189 2.035 -0.345 178 HH12 ARG 23 2HH2 ARG 23 10.940 2.209 -1.896 179 HH21 ARG 23 1HH1 ARG 23 9.312 5.166 -2.666 180 HH22 ARG 23 2HH1 ARG 23 10.445 3.970 -3.203 181 H VAL 24 H VAL 24 7.085 -2.359 1.859 182 HA VAL 24 HA VAL 24 6.021 -2.664 4.583 183 HB VAL 24 HB VAL 24 5.491 -4.304 2.795 184 HG11 VAL 24 1HG1 VAL 24 8.402 -5.162 2.889 185 HG12 VAL 24 2HG1 VAL 24 7.719 -4.190 1.596 186 HG13 VAL 24 3HG1 VAL 24 7.133 -5.826 1.877 187 HG21 VAL 24 3HG2 VAL 24 5.933 -6.349 4.107 188 HG22 VAL 24 1HG2 VAL 24 5.509 -5.024 5.187 189 HG23 VAL 24 2HG2 VAL 24 7.191 -5.519 5.019 190 H THR 25 H THR 25 7.301 -2.546 6.333 191 HA THR 25 HA THR 25 10.253 -2.556 5.988 192 HB THR 25 HB THR 25 8.632 -1.765 8.444 193 HG1 THR 25 HG1 THR 25 9.835 0.167 6.920 194 HG21 THR 25 3HG2 THR 25 11.501 -1.163 7.598 195 HG22 THR 25 1HG2 THR 25 11.032 -2.265 8.892 196 HG23 THR 25 2HG2 THR 25 10.708 -0.545 9.038 197 H ASN 26 H ASN 26 11.400 -4.300 6.507 198 HA ASN 26 HA ASN 26 10.174 -6.644 7.682 199 HB2 ASN 26 1HB ASN 26 11.918 -6.773 5.939 200 HB3 ASN 26 2HB ASN 26 13.100 -6.094 7.040 201 HD21 ASN 26 2HD2 ASN 26 13.952 -8.473 6.235 202 HD22 ASN 26 1HD2 ASN 26 13.608 -9.724 7.330 203 H ARG 27 H ARG 27 9.676 -6.533 9.787 204 HA ARG 27 HA ARG 27 11.751 -5.626 11.758 205 HB2 ARG 27 1HB ARG 27 8.709 -5.410 11.890 206 HB3 ARG 27 2HB ARG 27 9.817 -4.966 13.194 207 HG2 ARG 27 1HG ARG 27 10.894 -3.288 11.684 208 HG3 ARG 27 2HG ARG 27 9.745 -3.712 10.416 209 HD2 ARG 27 1HD ARG 27 7.871 -2.988 11.862 210 HD3 ARG 27 2HD ARG 27 9.009 -2.576 13.144 211 HE ARG 27 HE ARG 27 8.388 -0.993 10.820 212 HH11 ARG 27 1HH2 ARG 27 10.945 -1.811 13.038 213 HH12 ARG 27 2HH2 ARG 27 11.792 -0.317 12.814 214 HH21 ARG 27 1HH1 ARG 27 9.507 0.964 10.554 215 HH22 ARG 27 2HH1 ARG 27 10.984 1.242 11.414 216 H GLY 28 H GLY 28 12.512 -7.282 12.872 217 HA2 GLY 28 1HA GLY 28 10.987 -9.076 14.386 218 HA3 GLY 28 2HA GLY 28 11.425 -9.902 12.888 219 H ALA 29 H ALA 29 13.512 -10.612 12.602 220 HA ALA 29 HA ALA 29 15.768 -9.721 14.135 221 HB1 ALA 29 3HB ALA 29 14.559 -12.409 14.898 222 HB2 ALA 29 1HB ALA 29 14.608 -10.979 15.927 223 HB3 ALA 29 2HB ALA 29 16.108 -11.782 15.473 224 H ALA 30 H ALA 30 14.323 -11.401 11.631 225 HA ALA 30 HA ALA 30 16.915 -12.144 10.457 226 HB1 ALA 30 3HB ALA 30 14.701 -14.187 10.888 227 HB2 ALA 30 1HB ALA 30 16.250 -14.167 11.727 228 HB3 ALA 30 2HB ALA 30 16.196 -14.460 9.988 229 H GLU 31 H GLU 31 16.497 -13.115 8.218 230 HA GLU 31 HA GLU 31 15.099 -11.218 6.648 231 HB2 GLU 31 1HB GLU 31 16.091 -14.017 5.963 232 HB3 GLU 31 2HB GLU 31 15.506 -12.855 4.765 233 HG2 GLU 31 1HG GLU 31 17.280 -11.265 5.423 234 HG3 GLU 31 2HG GLU 31 17.864 -12.396 6.641 235 H ALA 32 H ALA 32 12.981 -11.072 6.166 236 HA ALA 32 HA ALA 32 11.091 -13.049 7.139 237 HB1 ALA 32 3HB ALA 32 10.605 -10.614 7.199 238 HB2 ALA 32 1HB ALA 32 9.386 -11.502 6.284 239 HB3 ALA 32 2HB ALA 32 10.622 -10.565 5.437 240 H HIS 33 H HIS 33 10.055 -14.588 5.973 241 HA HIS 33 HA HIS 33 10.716 -14.909 3.082 242 HB2 HIS 33 1HB HIS 33 9.750 -16.947 5.127 243 HB3 HIS 33 2HB HIS 33 10.130 -17.286 3.435 244 HD1 HIS 33 HD1 HIS 33 11.634 -18.013 6.412 245 HD2 HIS 33 HD2 HIS 33 13.026 -15.827 3.133 246 HE1 HIS 33 HE1 HIS 33 14.163 -18.012 6.575 247 HE2 HIS 33 HE2 HIS 33 15.025 -16.689 4.585 248 H ASN 34 H ASN 34 9.008 -16.050 1.866 249 HA ASN 34 HA ASN 34 7.025 -15.242 0.742 250 HB2 ASN 34 1HB ASN 34 5.221 -16.764 1.627 251 HB3 ASN 34 2HB ASN 34 6.768 -17.574 1.366 252 HD21 ASN 34 2HD2 ASN 34 8.113 -18.030 3.295 253 HD22 ASN 34 1HD2 ASN 34 7.386 -18.134 4.826 254 H VAL 35 H VAL 35 6.884 -13.006 1.205 255 HA VAL 35 HA VAL 35 5.095 -12.210 3.481 256 HB VAL 35 HB VAL 35 7.127 -10.552 1.938 257 HG11 VAL 35 1HG1 VAL 35 5.610 -10.012 4.538 258 HG12 VAL 35 2HG1 VAL 35 5.285 -9.223 2.996 259 HG13 VAL 35 3HG1 VAL 35 6.812 -8.943 3.820 260 HG21 VAL 35 3HG2 VAL 35 8.352 -12.237 3.183 261 HG22 VAL 35 1HG2 VAL 35 7.349 -12.003 4.616 262 HG23 VAL 35 2HG2 VAL 35 8.468 -10.754 4.109 263 HA PRO 36 HA PRO 36 2.802 -11.163 -0.419 264 HB2 PRO 36 1HB PRO 36 0.482 -12.461 -0.058 265 HB3 PRO 36 2HB PRO 36 1.953 -13.384 -0.451 266 HG2 PRO 36 1HG PRO 36 0.720 -12.923 2.272 267 HG3 PRO 36 2HG PRO 36 1.221 -14.457 1.535 268 HD2 PRO 36 1HD PRO 36 2.868 -13.042 3.266 269 HD3 PRO 36 2HD PRO 36 3.506 -14.060 1.956 270 H VAL 37 H VAL 37 2.604 -9.002 0.057 271 HA VAL 37 HA VAL 37 1.093 -8.000 2.308 272 HB VAL 37 HB VAL 37 3.006 -6.768 1.360 273 HG11 VAL 37 1HG1 VAL 37 2.698 -7.367 -1.025 274 HG12 VAL 37 2HG1 VAL 37 2.834 -5.629 -0.805 275 HG13 VAL 37 3HG1 VAL 37 1.263 -6.344 -1.103 276 HG21 VAL 37 3HG2 VAL 37 0.401 -5.210 0.997 277 HG22 VAL 37 1HG2 VAL 37 1.993 -4.529 1.316 278 HG23 VAL 37 2HG2 VAL 37 1.191 -5.503 2.544 279 H ALA 38 H ALA 38 -0.908 -6.959 2.256 280 HA ALA 38 HA ALA 38 -2.608 -7.335 -0.173 281 HB1 ALA 38 3HB ALA 38 -3.065 -9.110 1.504 282 HB2 ALA 38 1HB ALA 38 -4.442 -8.020 1.318 283 HB3 ALA 38 2HB ALA 38 -3.378 -7.878 2.725 284 H VAL 39 H VAL 39 -3.604 -5.530 -0.748 285 HA VAL 39 HA VAL 39 -3.915 -3.289 1.199 286 HB VAL 39 HB VAL 39 -3.446 -3.096 -1.816 287 HG11 VAL 39 1HG1 VAL 39 -3.017 -0.709 -1.297 288 HG12 VAL 39 2HG1 VAL 39 -3.381 -0.999 0.397 289 HG13 VAL 39 3HG1 VAL 39 -4.647 -1.160 -0.817 290 HG21 VAL 39 3HG2 VAL 39 -1.145 -2.339 -1.199 291 HG22 VAL 39 1HG2 VAL 39 -1.426 -4.011 -0.719 292 HG23 VAL 39 2HG2 VAL 39 -1.475 -2.728 0.490 293 H TYR 40 H TYR 40 -5.831 -2.220 1.192 294 HA TYR 40 HA TYR 40 -7.915 -2.817 -0.773 295 HB2 TYR 40 1HB TYR 40 -9.538 -3.535 1.033 296 HB3 TYR 40 2HB TYR 40 -8.240 -4.693 0.746 297 HD1 TYR 40 HD1 TYR 40 -6.369 -4.959 2.371 298 HD2 TYR 40 HD2 TYR 40 -9.599 -2.197 3.132 299 HE1 TYR 40 HE1 TYR 40 -5.645 -4.731 4.740 300 HE2 TYR 40 HE2 TYR 40 -8.862 -1.990 5.482 301 HH TYR 40 HH TYR 40 -6.560 -4.074 6.891 302 H LEU 41 H LEU 41 -9.039 -1.046 -1.161 303 HA LEU 41 HA LEU 41 -8.593 1.343 0.446 304 HB2 LEU 41 1HB LEU 41 -8.637 1.435 -2.012 305 HB3 LEU 41 2HB LEU 41 -10.307 0.911 -2.028 306 HG LEU 41 HG LEU 41 -9.847 3.332 -0.273 307 HD11 LEU 41 1HD1 LEU 41 -9.631 4.936 -2.165 308 HD12 LEU 41 2HD1 LEU 41 -9.388 3.572 -3.257 309 HD13 LEU 41 3HD1 LEU 41 -8.214 3.900 -2.001 310 HD21 LEU 41 3HD2 LEU 41 -11.767 2.864 -2.599 311 HD22 LEU 41 1HD2 LEU 41 -11.875 4.133 -1.376 312 HD23 LEU 41 2HD2 LEU 41 -12.104 2.450 -0.918 313 H GLY 42 H GLY 42 -9.869 2.083 1.997 314 HA2 GLY 42 1HA GLY 42 -12.186 2.636 2.687 315 HA3 GLY 42 2HA GLY 42 -12.616 0.958 2.386 316 H ASN 43 H ASN 43 -13.295 0.730 4.527 317 HA ASN 43 HA ASN 43 -11.122 0.621 6.567 318 HB2 ASN 43 1HB ASN 43 -14.045 1.290 6.924 319 HB3 ASN 43 2HB ASN 43 -12.882 1.140 8.240 320 HD21 ASN 43 2HD2 ASN 43 -13.484 3.039 5.227 321 HD22 ASN 43 1HD2 ASN 43 -12.649 4.417 5.760 322 HA PRO 44 HA PRO 44 -11.897 -3.800 6.911 323 HB2 PRO 44 1HB PRO 44 -11.831 -3.332 9.909 324 HB3 PRO 44 2HB PRO 44 -11.001 -4.582 8.949 325 HG2 PRO 44 1HG PRO 44 -9.672 -2.449 9.857 326 HG3 PRO 44 2HG PRO 44 -9.331 -3.110 8.240 327 HD2 PRO 44 1HD PRO 44 -10.836 -0.585 8.957 328 HD3 PRO 44 2HD PRO 44 -9.829 -0.948 7.533 329 H ALA 45 H ALA 45 -13.765 -1.517 8.832 330 HA ALA 45 HA ALA 45 -15.824 -3.196 9.757 331 HB1 ALA 45 3HB ALA 45 -15.979 -0.264 8.965 332 HB2 ALA 45 1HB ALA 45 -15.481 -0.875 10.544 333 HB3 ALA 45 2HB ALA 45 -17.139 -1.116 9.990 334 H GLN 46 H GLN 46 -15.471 -1.424 6.704 335 HA GLN 46 HA GLN 46 -18.034 -1.985 5.629 336 HB2 GLN 46 1HB GLN 46 -15.392 -1.533 4.178 337 HB3 GLN 46 2HB GLN 46 -16.991 -1.429 3.434 338 HG2 GLN 46 1HG GLN 46 -16.022 0.331 5.731 339 HG3 GLN 46 2HG GLN 46 -16.064 0.818 4.043 340 HE21 GLN 46 2HE2 GLN 46 -17.770 1.249 6.817 341 HE22 GLN 46 1HE2 GLN 46 -19.333 1.432 6.180 342 H GLY 47 H GLY 47 -14.909 -3.635 5.102 343 HA2 GLY 47 1HA GLY 47 -15.529 -6.228 5.320 344 HA3 GLY 47 2HA GLY 47 -16.214 -5.885 3.734 345 H GLY 48 H GLY 48 -13.734 -3.789 3.981 346 HA2 GLY 48 1HA GLY 48 -11.612 -3.682 3.077 347 HA3 GLY 48 2HA GLY 48 -11.387 -5.326 3.661 348 H VAL 49 H VAL 49 -12.039 -3.349 0.902 349 HA VAL 49 HA VAL 49 -12.811 -5.541 -0.862 350 HB VAL 49 HB VAL 49 -11.948 -2.698 -1.606 351 HG11 VAL 49 1HG1 VAL 49 -13.342 -3.134 -3.627 352 HG12 VAL 49 2HG1 VAL 49 -13.659 -4.773 -3.060 353 HG13 VAL 49 3HG1 VAL 49 -12.024 -4.295 -3.510 354 HG21 VAL 49 3HG2 VAL 49 -14.727 -3.783 -0.941 355 HG22 VAL 49 1HG2 VAL 49 -14.387 -2.173 -1.579 356 HG23 VAL 49 2HG2 VAL 49 -13.816 -2.620 0.024 357 H GLU 50 H GLU 50 -11.334 -6.985 -1.503 358 HA GLU 50 HA GLU 50 -8.479 -6.497 -1.402 359 HB2 GLU 50 1HB GLU 50 -9.509 -8.727 -0.990 360 HB3 GLU 50 2HB GLU 50 -10.040 -8.799 -2.668 361 HG2 GLU 50 1HG GLU 50 -7.660 -8.703 -3.419 362 HG3 GLU 50 2HG GLU 50 -7.140 -8.614 -1.739 363 H ILE 51 H ILE 51 -7.528 -5.218 -2.880 364 HA ILE 51 HA ILE 51 -8.600 -4.933 -5.613 365 HB ILE 51 HB ILE 51 -6.183 -3.569 -4.326 366 HG12 ILE 51 1HG1 ILE 51 -9.028 -2.473 -4.662 367 HG13 ILE 51 2HG1 ILE 51 -8.419 -3.120 -3.150 368 HG21 ILE 51 1HG2 ILE 51 -7.834 -2.899 -6.814 369 HG22 ILE 51 2HG2 ILE 51 -6.171 -3.486 -6.817 370 HG23 ILE 51 3HG2 ILE 51 -6.536 -1.900 -6.172 371 HD11 ILE 51 3HD1 ILE 51 -8.210 -0.696 -3.140 372 HD12 ILE 51 1HD1 ILE 51 -7.281 -0.734 -4.633 373 HD13 ILE 51 2HD1 ILE 51 -6.604 -1.416 -3.153 374 H GLY 52 H GLY 52 -5.605 -5.978 -4.000 375 HA2 GLY 52 1HA GLY 52 -5.048 -8.120 -5.695 376 HA3 GLY 52 2HA GLY 52 -4.206 -6.727 -6.375 377 H ARG 53 H ARG 53 -2.566 -8.634 -5.670 378 HA ARG 53 HA ARG 53 -1.152 -7.566 -3.320 379 HB2 ARG 53 1HB ARG 53 -0.778 -9.857 -2.397 380 HB3 ARG 53 2HB ARG 53 -2.472 -9.375 -2.322 381 HG2 ARG 53 1HG ARG 53 -3.003 -10.716 -4.311 382 HG3 ARG 53 2HG ARG 53 -1.306 -11.128 -4.540 383 HD2 ARG 53 1HD ARG 53 -2.468 -12.993 -3.450 384 HD3 ARG 53 2HD ARG 53 -1.288 -12.293 -2.350 385 HE ARG 53 HE ARG 53 -3.015 -11.593 -0.963 386 HH11 ARG 53 1HH2 ARG 53 -4.277 -12.508 -4.065 387 HH12 ARG 53 2HH2 ARG 53 -5.932 -12.428 -3.562 388 HH21 ARG 53 1HH1 ARG 53 -5.169 -11.503 -0.307 389 HH22 ARG 53 2HH1 ARG 53 -6.436 -11.867 -1.428 390 H ASP 54 H ASP 54 1.040 -8.316 -3.190 391 HA ASP 54 HA ASP 54 2.200 -9.572 -5.603 392 HB2 ASP 54 1HB ASP 54 2.134 -7.107 -6.020 393 HB3 ASP 54 2HB ASP 54 3.094 -6.846 -4.570 394 H THR 55 H THR 55 3.328 -11.191 -4.762 395 HA THR 55 HA THR 55 4.515 -11.029 -2.096 396 HB THR 55 HB THR 55 4.660 -13.296 -4.136 397 HG1 THR 55 HG1 THR 55 2.533 -12.869 -3.587 398 HG21 THR 55 3HG2 THR 55 5.090 -14.684 -2.120 399 HG22 THR 55 1HG2 THR 55 5.085 -13.236 -1.117 400 HG23 THR 55 2HG2 THR 55 6.351 -13.473 -2.323 401 H ILE 56 H ILE 56 6.565 -10.553 -1.671 402 HA ILE 56 HA ILE 56 8.325 -9.773 -3.856 403 HB ILE 56 HB ILE 56 8.982 -9.814 -0.864 404 HG12 ILE 56 1HG1 ILE 56 6.871 -8.571 -1.097 405 HG13 ILE 56 2HG1 ILE 56 8.184 -7.435 -0.812 406 HG21 ILE 56 1HG2 ILE 56 10.911 -9.430 -2.342 407 HG22 ILE 56 2HG2 ILE 56 10.492 -7.911 -1.569 408 HG23 ILE 56 3HG2 ILE 56 10.045 -8.183 -3.235 409 HD11 ILE 56 3HD1 ILE 56 6.682 -7.955 -3.376 410 HD12 ILE 56 1HD1 ILE 56 8.249 -7.152 -3.407 411 HD13 ILE 56 2HD1 ILE 56 6.917 -6.432 -2.527 412 H SER 57 H SER 57 10.314 -10.727 -4.360 413 HA SER 57 HA SER 57 10.507 -13.551 -4.151 414 HB2 SER 57 1HB SER 57 12.758 -13.258 -5.139 415 HB3 SER 57 2HB SER 57 11.569 -12.254 -5.967 416 HG SER 57 HG SER 57 12.530 -10.915 -3.870 417 H ARG 58 H ARG 58 12.244 -10.941 -2.464 418 HA ARG 58 HA ARG 58 12.496 -12.437 -0.033 419 HB2 ARG 58 1HB ARG 58 14.244 -13.610 -1.401 420 HB3 ARG 58 2HB ARG 58 15.077 -12.078 -1.633 421 HG2 ARG 58 1HG ARG 58 15.382 -11.884 0.846 422 HG3 ARG 58 2HG ARG 58 14.542 -13.421 1.056 423 HD2 ARG 58 1HD ARG 58 17.129 -13.040 -0.507 424 HD3 ARG 58 2HD ARG 58 17.011 -13.701 1.126 425 HE ARG 58 HE ARG 58 15.304 -15.195 -0.526 426 HH11 ARG 58 1HH2 ARG 58 18.710 -14.581 -0.106 427 HH12 ARG 58 2HH2 ARG 58 19.190 -16.119 -0.742 428 HH21 ARG 58 1HH1 ARG 58 15.948 -17.179 -1.355 429 HH22 ARG 58 2HH1 ARG 58 17.630 -17.585 -1.448 430 H ILE 59 H ILE 59 12.863 -11.082 1.626 431 HA ILE 59 HA ILE 59 13.579 -8.253 1.017 432 HB ILE 59 HB ILE 59 11.841 -9.255 3.285 433 HG12 ILE 59 1HG1 ILE 59 11.075 -7.806 0.711 434 HG13 ILE 59 2HG1 ILE 59 10.787 -9.516 0.993 435 HG21 ILE 59 1HG2 ILE 59 11.323 -6.801 3.557 436 HG22 ILE 59 2HG2 ILE 59 12.484 -6.432 2.293 437 HG23 ILE 59 3HG2 ILE 59 13.028 -7.127 3.810 438 HD11 ILE 59 3HD1 ILE 59 8.736 -8.285 1.443 439 HD12 ILE 59 1HD1 ILE 59 9.584 -7.210 2.536 440 HD13 ILE 59 2HD1 ILE 59 9.369 -8.889 2.962 441 HA PRO 60 HA PRO 60 16.995 -9.432 3.809 442 HB2 PRO 60 1HB PRO 60 18.624 -7.269 3.538 443 HB3 PRO 60 2HB PRO 60 18.417 -8.444 2.218 444 HG2 PRO 60 1HG PRO 60 17.052 -5.783 2.582 445 HG3 PRO 60 2HG PRO 60 17.838 -6.432 1.128 446 HD2 PRO 60 1HD PRO 60 15.115 -6.564 1.494 447 HD3 PRO 60 2HD PRO 60 15.997 -7.830 0.595 448 H VAL 61 H VAL 61 18.037 -8.489 5.790 449 HA VAL 61 HA VAL 61 16.029 -7.491 7.595 450 HB VAL 61 HB VAL 61 17.910 -7.560 9.255 451 HG11 VAL 61 1HG1 VAL 61 16.543 -9.579 8.812 452 HG12 VAL 61 2HG1 VAL 61 18.210 -10.015 9.192 453 HG13 VAL 61 3HG1 VAL 61 17.651 -10.038 7.521 454 HG21 VAL 61 3HG2 VAL 61 19.787 -6.962 7.738 455 HG22 VAL 61 1HG2 VAL 61 19.570 -8.480 6.872 456 HG23 VAL 61 2HG2 VAL 61 20.100 -8.486 8.551 457 H GLY 62 H GLY 62 15.824 -5.479 8.529 458 HA2 GLY 62 1HA GLY 62 16.029 -3.214 8.801 459 HA3 GLY 62 2HA GLY 62 17.729 -3.377 8.368 460 H GLY 63 H GLY 63 15.596 -4.683 6.078 461 HA2 GLY 63 1HA GLY 63 15.895 -2.338 4.253 462 HA3 GLY 63 2HA GLY 63 15.854 -4.020 3.766 463 H THR 64 H THR 64 14.169 -2.775 2.373 464 HA THR 64 HA THR 64 11.506 -3.391 3.513 465 HB THR 64 HB THR 64 10.551 -1.272 2.906 466 HG1 THR 64 HG1 THR 64 12.194 0.276 1.912 467 HG21 THR 64 3HG2 THR 64 11.811 0.341 4.218 468 HG22 THR 64 1HG2 THR 64 13.304 -0.553 3.974 469 HG23 THR 64 2HG2 THR 64 12.034 -1.223 4.989 470 H GLY 65 H GLY 65 9.923 -3.894 1.970 471 HA2 GLY 65 1HA GLY 65 10.961 -4.714 -0.672 472 HA3 GLY 65 2HA GLY 65 9.473 -5.241 0.100 473 H LEU 66 H LEU 66 9.712 -4.269 -2.568 474 HA LEU 66 HA LEU 66 8.017 -1.814 -2.378 475 HB2 LEU 66 1HB LEU 66 10.466 -1.779 -3.525 476 HB3 LEU 66 2HB LEU 66 9.602 -2.418 -4.904 477 HG LEU 66 HG LEU 66 9.673 0.010 -5.127 478 HD11 LEU 66 1HD1 LEU 66 7.333 0.589 -5.314 479 HD12 LEU 66 2HD1 LEU 66 6.850 -0.641 -4.174 480 HD13 LEU 66 3HD1 LEU 66 7.497 -1.102 -5.748 481 HD21 LEU 66 3HD2 LEU 66 9.295 1.581 -3.465 482 HD22 LEU 66 1HD2 LEU 66 9.840 0.279 -2.421 483 HD23 LEU 66 2HD2 LEU 66 8.120 0.611 -2.595 484 H ALA 67 H ALA 67 6.015 -2.367 -2.677 485 HA ALA 67 HA ALA 67 5.268 -4.538 -4.568 486 HB1 ALA 67 3HB ALA 67 4.470 -4.666 -2.244 487 HB2 ALA 67 1HB ALA 67 3.125 -4.505 -3.376 488 HB3 ALA 67 2HB ALA 67 3.660 -3.115 -2.421 489 H ARG 68 H ARG 68 3.578 -4.196 -6.059 490 HA ARG 68 HA ARG 68 2.796 -1.404 -6.667 491 HB2 ARG 68 1HB ARG 68 3.388 -1.694 -9.052 492 HB3 ARG 68 2HB ARG 68 4.807 -1.802 -8.009 493 HG2 ARG 68 1HG ARG 68 4.659 -4.296 -8.113 494 HG3 ARG 68 2HG ARG 68 3.313 -4.156 -9.234 495 HD2 ARG 68 1HD ARG 68 4.725 -2.951 -10.840 496 HD3 ARG 68 2HD ARG 68 6.097 -3.066 -9.733 497 HE ARG 68 HE ARG 68 5.099 -5.167 -11.447 498 HH11 ARG 68 1HH2 ARG 68 6.704 -4.513 -8.426 499 HH12 ARG 68 2HH2 ARG 68 7.405 -6.093 -8.307 500 HH21 ARG 68 1HH1 ARG 68 6.021 -7.244 -11.259 501 HH22 ARG 68 2HH1 ARG 68 7.019 -7.626 -9.897 502 H VAL 69 H VAL 69 0.722 -1.293 -6.945 503 HA VAL 69 HA VAL 69 -0.786 -3.512 -8.227 504 HB VAL 69 HB VAL 69 -1.665 -2.092 -5.662 505 HG11 VAL 69 1HG1 VAL 69 -3.561 -2.827 -7.082 506 HG12 VAL 69 2HG1 VAL 69 -3.446 -3.847 -5.656 507 HG13 VAL 69 3HG1 VAL 69 -2.859 -4.441 -7.209 508 HG21 VAL 69 3HG2 VAL 69 0.201 -3.591 -5.134 509 HG22 VAL 69 1HG2 VAL 69 -0.513 -4.893 -6.092 510 HG23 VAL 69 2HG2 VAL 69 -1.288 -4.355 -4.600 511 H GLN 70 H GLN 70 -2.257 -2.823 -9.631 512 HA GLN 70 HA GLN 70 -2.532 0.088 -10.105 513 HB2 GLN 70 1HB GLN 70 -3.440 -2.320 -11.730 514 HB3 GLN 70 2HB GLN 70 -3.621 -0.634 -12.228 515 HG2 GLN 70 1HG GLN 70 -1.150 -0.343 -12.131 516 HG3 GLN 70 2HG GLN 70 -0.971 -2.032 -11.655 517 HE21 GLN 70 2HE2 GLN 70 0.408 -1.893 -13.790 518 HE22 GLN 70 1HE2 GLN 70 -0.417 -2.243 -15.232 519 H TRP 71 H TRP 71 -4.386 1.203 -9.781 520 HA TRP 71 HA TRP 71 -6.906 -0.223 -9.139 521 HB2 TRP 71 1HB TRP 71 -5.828 0.310 -6.958 522 HB3 TRP 71 2HB TRP 71 -5.695 1.998 -7.427 523 HD1 TRP 71 HD1 TRP 71 -8.561 -0.620 -7.297 524 HE1 TRP 71 HE1 TRP 71 -10.682 0.540 -6.449 525 HE3 TRP 71 HE3 TRP 71 -6.745 4.088 -6.591 526 HZ2 TRP 71 HZ2 TRP 71 -11.521 3.161 -5.596 527 HZ3 TRP 71 HZ3 TRP 71 -8.213 5.904 -5.770 528 HH2 TRP 71 HH2 TRP 71 -10.598 5.453 -5.260 529 H LYS 72 H LYS 72 -8.572 0.643 -10.129 530 HA LYS 72 HA LYS 72 -8.250 3.201 -11.610 531 HB2 LYS 72 1HB LYS 72 -9.024 1.149 -12.816 532 HB3 LYS 72 2HB LYS 72 -10.471 1.120 -11.813 533 HG2 LYS 72 1HG LYS 72 -11.114 3.371 -12.658 534 HG3 LYS 72 2HG LYS 72 -9.640 3.434 -13.627 535 HD2 LYS 72 1HD LYS 72 -10.406 1.435 -14.904 536 HD3 LYS 72 2HD LYS 72 -11.887 1.398 -13.945 537 HE2 LYS 72 1HE LYS 72 -12.488 3.659 -14.775 538 HE3 LYS 72 2HE LYS 72 -10.999 3.709 -15.722 539 HZ1 LYS 72 3HZ LYS 72 -12.998 1.556 -16.054 540 HZ2 LYS 72 1HZ LYS 72 -11.743 2.001 -17.105 541 HZ3 LYS 72 2HZ LYS 72 -13.091 3.017 -16.916 542 H ALA 73 H ALA 73 -9.104 5.006 -10.801 543 HA ALA 73 HA ALA 73 -10.641 5.057 -8.386 544 HB1 ALA 73 3HB ALA 73 -9.184 6.928 -9.067 545 HB2 ALA 73 1HB ALA 73 -10.843 7.487 -8.839 546 HB3 ALA 73 2HB ALA 73 -10.208 7.234 -10.468 547 H THR 74 H THR 74 -12.824 5.501 -8.079 548 HA THR 74 HA THR 74 -14.656 5.513 -10.427 549 HB THR 74 HB THR 74 -16.011 3.734 -9.539 550 HG1 THR 74 HG1 THR 74 -14.436 3.135 -7.380 551 HG21 THR 74 3HG2 THR 74 -14.517 1.812 -9.530 552 HG22 THR 74 1HG2 THR 74 -13.152 2.820 -9.062 553 HG23 THR 74 2HG2 THR 74 -13.857 2.983 -10.673 554 H ARG 75 H ARG 75 -17.009 5.311 -8.984 555 HA ARG 75 HA ARG 75 -18.550 6.685 -8.023 556 HB2 ARG 75 1HB ARG 75 -17.386 5.823 -5.990 557 HB3 ARG 75 2HB ARG 75 -16.281 7.195 -6.047 558 HG2 ARG 75 1HG ARG 75 -18.220 8.753 -5.769 559 HG3 ARG 75 2HG ARG 75 -19.309 7.373 -5.699 560 HD2 ARG 75 1HD ARG 75 -18.141 6.558 -3.672 561 HD3 ARG 75 2HD ARG 75 -17.039 7.933 -3.746 562 HE ARG 75 HE ARG 75 -19.730 7.936 -2.723 563 HH11 ARG 75 1HH2 ARG 75 -17.345 9.894 -4.338 564 HH12 ARG 75 2HH2 ARG 75 -18.044 11.393 -3.823 565 HH21 ARG 75 1HH1 ARG 75 -20.625 9.907 -2.061 566 HH22 ARG 75 2HH1 ARG 75 -19.892 11.399 -2.544 567 H LYS 76 H LYS 76 -18.559 8.122 -9.837 568 HA LYS 76 HA LYS 76 -16.834 10.472 -9.873 569 HB2 LYS 76 1HB LYS 76 -19.271 9.709 -11.535 570 HB3 LYS 76 2HB LYS 76 -18.241 11.112 -11.844 571 HG2 LYS 76 1HG LYS 76 -16.285 9.615 -12.144 572 HG3 LYS 76 2HG LYS 76 -17.312 8.209 -11.846 573 HD2 LYS 76 1HD LYS 76 -18.690 8.799 -13.834 574 HD3 LYS 76 2HD LYS 76 -17.657 10.196 -14.133 575 HE2 LYS 76 1HE LYS 76 -15.708 8.688 -14.449 576 HE3 LYS 76 2HE LYS 76 -16.744 7.291 -14.156 577 HZ1 LYS 76 3HZ LYS 76 -17.163 7.313 -16.322 578 HZ2 LYS 76 1HZ LYS 76 -16.405 8.815 -16.539 579 HZ3 LYS 76 2HZ LYS 76 -18.042 8.747 -16.088 580 H LEU 77 H LEU 77 -17.242 12.361 -8.937 581 HA LEU 77 HA LEU 77 -19.890 13.407 -8.566 582 HB2 LEU 77 1HB LEU 77 -19.377 11.615 -6.600 583 HB3 LEU 77 2HB LEU 77 -18.507 12.954 -5.879 584 HG LEU 77 HG LEU 77 -21.468 12.945 -6.690 585 HD11 LEU 77 1HD1 LEU 77 -20.965 11.642 -4.633 586 HD12 LEU 77 2HD1 LEU 77 -21.881 13.098 -4.256 587 HD13 LEU 77 3HD1 LEU 77 -20.142 13.044 -3.944 588 HD21 LEU 77 3HD2 LEU 77 -21.476 15.188 -5.454 589 HD22 LEU 77 1HD2 LEU 77 -20.652 15.194 -7.003 590 HD23 LEU 77 2HD2 LEU 77 -19.718 15.151 -5.509 591 H ALA 78 H ALA 78 -19.572 15.485 -9.022 592 HA ALA 78 HA ALA 78 -17.274 16.988 -7.829 593 HB1 ALA 78 3HB ALA 78 -18.186 17.099 -10.732 594 HB2 ALA 78 1HB ALA 78 -16.676 16.398 -10.151 595 HB3 ALA 78 2HB ALA 78 -16.954 18.133 -10.003 596 H GLY 79 H GLY 79 -17.765 18.990 -7.132 597 HA2 GLY 79 1HA GLY 79 -19.760 20.708 -8.048 598 HA3 GLY 79 2HA GLY 79 -20.479 19.766 -6.741 599 H ARG 80 H ARG 80 -20.093 20.404 -4.676 600 HA ARG 80 HA ARG 80 -18.880 22.897 -4.098 601 HB2 ARG 80 1HB ARG 80 -19.590 20.577 -2.257 602 HB3 ARG 80 2HB ARG 80 -19.191 22.213 -1.715 603 HG2 ARG 80 1HG ARG 80 -21.127 23.105 -3.001 604 HG3 ARG 80 2HG ARG 80 -21.537 21.467 -3.515 605 HD2 ARG 80 1HD ARG 80 -21.433 22.403 -0.618 606 HD3 ARG 80 2HD ARG 80 -22.906 22.204 -1.565 607 HE ARG 80 HE ARG 80 -21.510 19.775 -1.676 608 HH11 ARG 80 1HH2 ARG 80 -23.096 21.787 0.689 609 HH12 ARG 80 2HH2 ARG 80 -23.545 20.454 1.701 610 HH21 ARG 80 1HH1 ARG 80 -22.105 18.058 -0.341 611 HH22 ARG 80 2HH1 ARG 80 -22.988 18.355 1.120 612 H ALA 81 H ALA 81 -17.687 19.584 -4.010 613 HA ALA 81 HA ALA 81 -15.635 18.673 -3.583 614 HB1 ALA 81 3HB ALA 81 -15.072 20.019 -5.586 615 HB2 ALA 81 1HB ALA 81 -13.702 19.908 -4.479 616 HB3 ALA 81 2HB ALA 81 -14.665 21.386 -4.551 617 H ALA 82 H ALA 82 -16.940 19.859 -1.358 618 HA ALA 82 HA ALA 82 -15.282 21.501 0.242 619 HB1 ALA 82 3HB ALA 82 -17.364 19.442 1.066 620 HB2 ALA 82 1HB ALA 82 -17.691 21.126 0.663 621 HB3 ALA 82 2HB ALA 82 -16.737 20.732 2.095 622 H ASN 83 H ASN 83 -15.340 18.051 -0.356 623 HA ASN 83 HA ASN 83 -12.773 17.754 1.033 624 HB2 ASN 83 1HB ASN 83 -15.248 16.195 1.849 625 HB3 ASN 83 2HB ASN 83 -13.618 15.800 2.382 626 HD21 ASN 83 2HD2 ASN 83 -16.349 17.894 2.978 627 HD22 ASN 83 1HD2 ASN 83 -15.630 18.798 4.223 628 HA PRO 84 HA PRO 84 -12.271 14.969 -2.434 629 HB2 PRO 84 1HB PRO 84 -10.090 13.465 -1.673 630 HB3 PRO 84 2HB PRO 84 -9.964 15.179 -2.111 631 HG2 PRO 84 1HG PRO 84 -10.112 13.972 0.652 632 HG3 PRO 84 2HG PRO 84 -9.008 15.215 0.044 633 HD2 PRO 84 1HD PRO 84 -11.243 15.886 1.479 634 HD3 PRO 84 2HD PRO 84 -10.642 16.928 0.162 635 H GLY 85 H GLY 85 -11.524 12.992 0.445 636 HA2 GLY 85 1HA GLY 85 -12.581 11.134 1.325 637 HA3 GLY 85 2HA GLY 85 -13.913 11.357 0.196 638 H VAL 86 H VAL 86 -10.539 10.292 0.406 639 HA VAL 86 HA VAL 86 -11.044 7.887 -1.079 640 HB VAL 86 HB VAL 86 -11.011 9.592 -2.917 641 HG11 VAL 86 1HG1 VAL 86 -9.186 10.981 -3.424 642 HG12 VAL 86 2HG1 VAL 86 -8.018 9.962 -2.614 643 HG13 VAL 86 3HG1 VAL 86 -9.089 10.986 -1.668 644 HG21 VAL 86 3HG2 VAL 86 -10.330 7.244 -3.361 645 HG22 VAL 86 1HG2 VAL 86 -8.654 7.670 -3.042 646 HG23 VAL 86 2HG2 VAL 86 -9.488 8.381 -4.407 647 HA PRO 87 HA PRO 87 -7.211 8.153 1.650 648 HB2 PRO 87 1HB PRO 87 -8.010 6.743 3.831 649 HB3 PRO 87 2HB PRO 87 -8.503 8.441 3.619 650 HG2 PRO 87 1HG PRO 87 -10.063 5.944 2.917 651 HG3 PRO 87 2HG PRO 87 -10.595 7.343 3.885 652 HD2 PRO 87 1HD PRO 87 -11.204 7.138 1.217 653 HD3 PRO 87 2HD PRO 87 -10.866 8.720 1.963 654 H VAL 88 H VAL 88 -5.786 6.353 2.204 655 HA VAL 88 HA VAL 88 -6.480 3.740 0.917 656 HB VAL 88 HB VAL 88 -3.788 5.168 0.687 657 HG11 VAL 88 1HG1 VAL 88 -3.622 2.682 0.619 658 HG12 VAL 88 2HG1 VAL 88 -3.311 3.368 -0.967 659 HG13 VAL 88 3HG1 VAL 88 -4.874 2.629 -0.625 660 HG21 VAL 88 3HG2 VAL 88 -4.414 5.486 -1.700 661 HG22 VAL 88 1HG2 VAL 88 -5.544 6.326 -0.641 662 HG23 VAL 88 2HG2 VAL 88 -6.003 4.793 -1.381 663 H TYR 89 H TYR 89 -5.987 2.006 2.081 664 HA TYR 89 HA TYR 89 -4.199 2.231 4.467 665 HB2 TYR 89 1HB TYR 89 -6.870 0.781 4.271 666 HB3 TYR 89 2HB TYR 89 -5.760 0.679 5.643 667 HD1 TYR 89 HD1 TYR 89 -5.217 2.744 7.001 668 HD2 TYR 89 HD2 TYR 89 -8.301 2.783 3.988 669 HE1 TYR 89 HE1 TYR 89 -6.134 4.844 7.950 670 HE2 TYR 89 HE2 TYR 89 -9.215 4.867 4.968 671 HH TYR 89 HH TYR 89 -7.573 6.539 7.614 672 H ALA 90 H ALA 90 -3.013 0.454 4.955 673 HA ALA 90 HA ALA 90 -3.122 -1.948 3.222 674 HB1 ALA 90 3HB ALA 90 -1.583 -0.374 2.094 675 HB2 ALA 90 1HB ALA 90 -0.706 -1.768 2.732 676 HB3 ALA 90 2HB ALA 90 -0.646 -0.217 3.576 677 H VAL 91 H VAL 91 -2.271 -3.761 4.167 678 HA VAL 91 HA VAL 91 -1.133 -3.568 6.905 679 HB VAL 91 HB VAL 91 -3.374 -5.501 6.119 680 HG11 VAL 91 1HG1 VAL 91 -3.453 -5.919 8.577 681 HG12 VAL 91 2HG1 VAL 91 -2.094 -4.821 8.814 682 HG13 VAL 91 3HG1 VAL 91 -1.871 -6.325 7.923 683 HG21 VAL 91 3HG2 VAL 91 -4.797 -4.094 7.622 684 HG22 VAL 91 1HG2 VAL 91 -4.282 -3.213 6.190 685 HG23 VAL 91 2HG2 VAL 91 -3.496 -2.913 7.743 686 H VAL 92 H VAL 92 0.346 -5.086 7.382 687 HA VAL 92 HA VAL 92 1.412 -6.680 5.176 688 HB VAL 92 HB VAL 92 2.479 -6.417 8.037 689 HG11 VAL 92 1HG1 VAL 92 3.437 -8.277 6.685 690 HG12 VAL 92 2HG1 VAL 92 4.637 -7.017 6.961 691 HG13 VAL 92 3HG1 VAL 92 3.833 -7.143 5.393 692 HG21 VAL 92 3HG2 VAL 92 3.083 -4.709 5.575 693 HG22 VAL 92 1HG2 VAL 92 3.951 -4.619 7.110 694 HG23 VAL 92 2HG2 VAL 92 2.255 -4.158 7.033 695 H ASP 93 H ASP 93 1.324 -8.876 5.049 696 HA ASP 93 HA ASP 93 -0.666 -10.408 6.022 697 HB2 ASP 93 1HB ASP 93 0.869 -12.411 5.623 698 HB3 ASP 93 2HB ASP 93 0.799 -11.250 4.302 699 HA PRO 94 HA PRO 94 0.194 -10.913 10.396 700 HB2 PRO 94 1HB PRO 94 -1.293 -13.101 11.067 701 HB3 PRO 94 2HB PRO 94 -2.067 -11.593 10.524 702 HG2 PRO 94 1HG PRO 94 -1.384 -14.033 8.864 703 HG3 PRO 94 2HG PRO 94 -2.957 -13.205 9.012 704 HD2 PRO 94 1HD PRO 94 -1.307 -12.636 6.928 705 HD3 PRO 94 2HD PRO 94 -2.231 -11.326 7.719 706 H ASP 95 H ASP 95 1.994 -11.645 11.400 707 HA ASP 95 HA ASP 95 3.725 -13.610 10.285 708 HB2 ASP 95 1HB ASP 95 4.482 -11.679 11.670 709 HB3 ASP 95 2HB ASP 95 3.733 -12.406 13.085 710 H ASN 96 H ASN 96 1.296 -13.664 12.825 711 HA ASN 96 HA ASN 96 1.081 -16.544 12.700 712 HB2 ASN 96 1HB ASN 96 3.048 -16.265 14.210 713 HB3 ASN 96 2HB ASN 96 2.074 -15.272 15.288 714 HD21 ASN 96 2HD2 ASN 96 1.907 -16.676 17.096 715 HD22 ASN 96 1HD2 ASN 96 1.230 -18.230 17.019 716 H ARG 97 H ARG 97 -0.978 -15.656 12.008 717 HA ARG 97 HA ARG 97 -3.192 -15.234 12.306 718 HB2 ARG 97 1HB ARG 97 -2.692 -16.137 15.171 719 HB3 ARG 97 2HB ARG 97 -4.258 -16.037 14.375 720 HG2 ARG 97 1HG ARG 97 -3.566 -17.744 12.728 721 HG3 ARG 97 2HG ARG 97 -1.962 -17.825 13.461 722 HD2 ARG 97 1HD ARG 97 -2.965 -18.598 15.594 723 HD3 ARG 97 2HD ARG 97 -4.572 -18.520 14.868 724 HE ARG 97 HE ARG 97 -2.928 -20.164 13.256 725 HH11 ARG 97 1HH2 ARG 97 -4.406 -20.128 16.415 726 HH12 ARG 97 2HH2 ARG 97 -4.547 -21.852 16.508 727 HH21 ARG 97 1HH1 ARG 97 -3.124 -22.420 13.406 728 HH22 ARG 97 2HH1 ARG 97 -3.827 -23.139 14.816 729 H VAL 98 H VAL 98 -2.047 -14.352 15.550 730 HA VAL 98 HA VAL 98 -3.582 -12.031 15.816 731 HB VAL 98 HB VAL 98 -0.881 -12.626 17.109 732 HG11 VAL 98 1HG1 VAL 98 -3.205 -10.849 18.001 733 HG12 VAL 98 2HG1 VAL 98 -1.619 -10.279 17.482 734 HG13 VAL 98 3HG1 VAL 98 -1.774 -11.200 18.968 735 HG21 VAL 98 3HG2 VAL 98 -2.249 -13.641 18.928 736 HG22 VAL 98 1HG2 VAL 98 -2.486 -14.497 17.407 737 HG23 VAL 98 2HG2 VAL 98 -3.712 -13.366 17.982 738 H ALA 99 H ALA 99 -3.180 -9.850 15.457 739 HA ALA 99 HA ALA 99 -0.700 -8.813 14.429 740 HB1 ALA 99 3HB ALA 99 -3.023 -9.138 12.488 741 HB2 ALA 99 1HB ALA 99 -1.495 -10.012 12.409 742 HB3 ALA 99 2HB ALA 99 -1.523 -8.266 12.156 743 H GLU 100 H GLU 100 -3.713 -8.517 15.826 744 HA GLU 100 HA GLU 100 -4.607 -5.953 15.193 745 HB2 GLU 100 1HB GLU 100 -5.855 -7.521 16.616 746 HB3 GLU 100 2HB GLU 100 -4.638 -7.389 17.878 747 HG2 GLU 100 1HG GLU 100 -6.144 -4.907 16.896 748 HG3 GLU 100 2HG GLU 100 -6.841 -5.955 18.120 749 H SER 101 H SER 101 -1.754 -6.911 16.903 750 HA SER 101 HA SER 101 -1.239 -4.259 18.073 751 HB2 SER 101 1HB SER 101 -0.630 -6.320 19.314 752 HB3 SER 101 2HB SER 101 0.453 -6.789 18.007 753 HG SER 101 HG SER 101 0.654 -4.253 19.230 754 H ASP 102 H ASP 102 0.416 -6.472 15.788 755 HA ASP 102 HA ASP 102 2.363 -4.666 14.880 756 HB2 ASP 102 1HB ASP 102 2.442 -7.124 14.532 757 HB3 ASP 102 2HB ASP 102 1.081 -7.014 13.421 758 H LYS 103 H LYS 103 -0.968 -5.213 13.877 759 HA LYS 103 HA LYS 103 -0.952 -3.805 11.430 760 HB2 LYS 103 1HB LYS 103 -2.846 -5.212 12.148 761 HB3 LYS 103 2HB LYS 103 -3.187 -4.105 13.477 762 HG2 LYS 103 1HG LYS 103 -3.703 -2.292 11.860 763 HG3 LYS 103 2HG LYS 103 -3.296 -3.367 10.519 764 HD2 LYS 103 1HD LYS 103 -5.164 -4.863 11.136 765 HD3 LYS 103 2HD LYS 103 -5.538 -3.846 12.533 766 HE2 LYS 103 1HE LYS 103 -6.017 -1.942 11.041 767 HE3 LYS 103 2HE LYS 103 -5.613 -2.923 9.636 768 HZ1 LYS 103 3HZ LYS 103 -7.946 -2.899 9.896 769 HZ2 LYS 103 1HZ LYS 103 -7.853 -3.343 11.527 770 HZ3 LYS 103 2HZ LYS 103 -7.414 -4.452 10.316 771 H ALA 104 H ALA 104 -2.053 -2.612 14.626 772 HA ALA 104 HA ALA 104 -2.352 0.076 13.905 773 HB1 ALA 104 3HB ALA 104 -1.570 -1.059 16.616 774 HB2 ALA 104 1HB ALA 104 -3.218 -0.891 16.014 775 HB3 ALA 104 2HB ALA 104 -2.247 0.546 16.328 776 H ASN 105 H ASN 105 0.484 -1.615 15.239 777 HA ASN 105 HA ASN 105 2.183 0.657 15.427 778 HB2 ASN 105 1HB ASN 105 2.952 -2.254 14.962 779 HB3 ASN 105 2HB ASN 105 4.005 -0.985 15.593 780 HD21 ASN 105 2HD2 ASN 105 2.054 0.274 17.344 781 HD22 ASN 105 1HD2 ASN 105 1.717 -0.818 18.597 782 H ASN 106 H ASN 106 1.981 -1.874 12.896 783 HA ASN 106 HA ASN 106 3.627 -0.274 11.046 784 HB2 ASN 106 1HB ASN 106 2.377 -3.029 10.677 785 HB3 ASN 106 2HB ASN 106 3.585 -2.273 9.641 786 HD21 ASN 106 2HD2 ASN 106 3.140 -3.208 13.107 787 HD22 ASN 106 1HD2 ASN 106 4.768 -3.630 13.337 788 H VAL 107 H VAL 107 1.379 1.124 11.532 789 HA VAL 107 HA VAL 107 -0.542 0.592 9.311 790 HB VAL 107 HB VAL 107 -1.427 0.974 11.639 791 HG11 VAL 107 1HG1 VAL 107 -1.304 3.131 12.721 792 HG12 VAL 107 2HG1 VAL 107 -0.619 3.900 11.289 793 HG13 VAL 107 3HG1 VAL 107 0.351 2.775 12.226 794 HG21 VAL 107 3HG2 VAL 107 -3.210 2.555 10.955 795 HG22 VAL 107 1HG2 VAL 107 -2.827 1.461 9.626 796 HG23 VAL 107 2HG2 VAL 107 -2.218 3.116 9.610 797 H PHE 108 H PHE 108 -0.631 1.896 7.572 798 HA PHE 108 HA PHE 108 0.684 4.546 7.601 799 HB2 PHE 108 1HB PHE 108 1.240 2.459 5.451 800 HB3 PHE 108 2HB PHE 108 1.938 4.072 5.559 801 HD1 PHE 108 HD2 PHE 108 3.102 4.639 7.934 802 HD2 PHE 108 HD1 PHE 108 2.583 0.648 6.349 803 HE1 PHE 108 HE2 PHE 108 4.895 3.801 9.417 804 HE2 PHE 108 HE1 PHE 108 4.376 -0.164 7.846 805 HZ PHE 108 HZ PHE 108 5.535 1.406 9.377 806 H SER 109 H SER 109 -0.380 6.019 6.467 807 HA SER 109 HA SER 109 -2.225 5.346 4.308 808 HB2 SER 109 1HB SER 109 -3.262 6.538 6.908 809 HB3 SER 109 2HB SER 109 -4.196 6.322 5.426 810 HG SER 109 HG SER 109 -4.138 4.623 7.241 811 H ARG 110 H ARG 110 -2.655 7.103 3.028 812 HA ARG 110 HA ARG 110 -1.776 9.799 3.895 813 HB2 ARG 110 1HB ARG 110 0.161 8.594 2.744 814 HB3 ARG 110 2HB ARG 110 -0.804 8.565 1.271 815 HG2 ARG 110 1HG ARG 110 -0.986 11.091 1.406 816 HG3 ARG 110 2HG ARG 110 0.080 11.056 2.804 817 HD2 ARG 110 1HD ARG 110 1.825 9.926 1.363 818 HD3 ARG 110 2HD ARG 110 0.764 10.177 -0.031 819 HE ARG 110 HE ARG 110 2.440 12.146 1.247 820 HH11 ARG 110 1HH2 ARG 110 -0.578 11.706 -0.408 821 HH12 ARG 110 2HH2 ARG 110 -0.680 13.352 -0.939 822 HH21 ARG 110 1HH1 ARG 110 2.291 14.309 0.547 823 HH22 ARG 110 2HH1 ARG 110 0.932 14.815 -0.401 824 H ILE 111 H ILE 111 -3.228 11.248 3.329 825 HA ILE 111 HA ILE 111 -5.396 10.550 1.480 826 HB ILE 111 HB ILE 111 -4.989 13.017 3.241 827 HG12 ILE 111 1HG1 ILE 111 -6.877 11.965 4.589 828 HG13 ILE 111 2HG1 ILE 111 -6.746 10.525 3.587 829 HG21 ILE 111 1HG2 ILE 111 -7.357 12.103 1.540 830 HG22 ILE 111 2HG2 ILE 111 -6.437 13.597 1.360 831 HG23 ILE 111 3HG2 ILE 111 -7.464 13.369 2.765 832 HD11 ILE 111 3HD1 ILE 111 -4.249 11.487 4.972 833 HD12 ILE 111 1HD1 ILE 111 -4.795 9.850 4.603 834 HD13 ILE 111 2HD1 ILE 111 -5.511 10.739 5.937 835 H VAL 112 H VAL 112 -5.845 11.690 -0.375 836 HA VAL 112 HA VAL 112 -3.881 13.714 -1.348 837 HB VAL 112 HB VAL 112 -3.972 12.579 -3.631 838 HG11 VAL 112 1HG1 VAL 112 -2.287 10.859 -3.075 839 HG12 VAL 112 2HG1 VAL 112 -2.730 10.959 -1.369 840 HG13 VAL 112 3HG1 VAL 112 -1.998 12.344 -2.177 841 HG21 VAL 112 3HG2 VAL 112 -4.608 10.178 -3.680 842 HG22 VAL 112 1HG2 VAL 112 -5.983 11.190 -3.242 843 HG23 VAL 112 2HG2 VAL 112 -5.130 10.270 -2.000 844 H LYS 113 H LYS 113 -4.710 15.310 -2.552 845 HA LYS 113 HA LYS 113 -7.650 15.514 -2.713 846 HB2 LYS 113 1HB LYS 113 -5.466 17.591 -3.088 847 HB3 LYS 113 2HB LYS 113 -7.200 17.921 -3.157 848 HG2 LYS 113 1HG LYS 113 -7.437 17.096 -0.811 849 HG3 LYS 113 2HG LYS 113 -5.693 16.819 -0.743 850 HD2 LYS 113 1HD LYS 113 -5.297 19.248 -1.130 851 HD3 LYS 113 2HD LYS 113 -7.040 19.519 -1.194 852 HE2 LYS 113 1HE LYS 113 -6.150 20.064 1.059 853 HE3 LYS 113 2HE LYS 113 -7.259 18.693 1.141 854 HZ1 LYS 113 3HZ LYS 113 -5.641 17.390 1.877 855 HZ2 LYS 113 1HZ LYS 113 -4.660 18.765 2.034 856 HZ3 LYS 113 2HZ LYS 113 -4.598 17.836 0.613 857 H VAL 114 H VAL 114 -8.740 15.780 -4.613 858 HA VAL 114 HA VAL 114 -7.221 15.637 -7.182 859 HB VAL 114 HB VAL 114 -8.132 13.410 -6.555 860 HG11 VAL 114 1HG1 VAL 114 -10.537 12.989 -6.460 861 HG12 VAL 114 2HG1 VAL 114 -10.897 14.683 -6.775 862 HG13 VAL 114 3HG1 VAL 114 -10.135 14.214 -5.257 863 HG21 VAL 114 3HG2 VAL 114 -9.609 14.671 -8.914 864 HG22 VAL 114 1HG2 VAL 114 -9.287 12.953 -8.679 865 HG23 VAL 114 2HG2 VAL 114 -7.953 14.065 -8.956 866 H LEU 115 H LEU 115 -7.878 16.975 -8.732 867 HA LEU 115 HA LEU 115 -10.193 18.771 -8.173 868 HB2 LEU 115 1HB LEU 115 -7.828 19.722 -8.481 869 HB3 LEU 115 2HB LEU 115 -7.947 19.261 -10.165 870 HG LEU 115 HG LEU 115 -10.279 20.666 -10.051 871 HD11 LEU 115 1HD1 LEU 115 -10.139 22.602 -8.524 872 HD12 LEU 115 2HD1 LEU 115 -8.623 22.001 -7.856 873 HD13 LEU 115 3HD1 LEU 115 -10.117 21.113 -7.587 874 HD21 LEU 115 3HD2 LEU 115 -7.555 22.037 -10.162 875 HD22 LEU 115 1HD2 LEU 115 -9.065 22.717 -10.775 876 HD23 LEU 115 2HD2 LEU 115 -8.381 21.277 -11.524 877 H GLU 116 H GLU 116 -11.899 18.800 -9.473 878 HA GLU 116 HA GLU 116 -11.815 17.883 -12.226 879 HB2 GLU 116 1HB GLU 116 -11.928 15.737 -10.875 880 HB3 GLU 116 2HB GLU 116 -13.466 16.274 -10.214 881 HG2 GLU 116 1HG GLU 116 -13.931 14.775 -12.087 882 HG3 GLU 116 2HG GLU 116 -14.373 16.399 -12.589 883 H HIS 117 H HIS 117 -12.598 19.916 -12.664 884 HA HIS 117 HA HIS 117 -15.457 20.201 -12.616 885 HB2 HIS 117 1HB HIS 117 -14.920 20.916 -10.275 886 HB3 HIS 117 2HB HIS 117 -13.847 22.161 -10.907 887 HD1 HIS 117 HD1 HIS 117 -15.048 24.018 -12.471 888 HD2 HIS 117 HD2 HIS 117 -17.616 21.658 -10.186 889 HE1 HIS 117 HE1 HIS 117 -17.308 25.159 -12.525 890 HE2 HIS 117 HE2 HIS 117 -18.886 23.732 -11.139 891 H HIS 118 H HIS 118 -15.291 20.507 -14.804 892 HA HIS 118 HA HIS 118 -14.634 23.167 -15.728 893 HB2 HIS 118 1HB HIS 118 -12.889 22.459 -17.351 894 HB3 HIS 118 2HB HIS 118 -12.364 22.187 -15.690 895 HD1 HIS 118 HD1 HIS 118 -14.498 19.562 -15.751 896 HD2 HIS 118 HD2 HIS 118 -11.042 20.239 -17.982 897 HE1 HIS 118 HE1 HIS 118 -13.702 17.294 -16.543 898 HE2 HIS 118 HE2 HIS 118 -11.600 17.689 -17.908 899 H HIS 119 H HIS 119 -14.924 23.281 -18.165 900 HA HIS 119 HA HIS 119 -17.475 22.221 -18.847 901 HB2 HIS 119 1HB HIS 119 -15.341 23.456 -20.639 902 HB3 HIS 119 2HB HIS 119 -17.039 23.229 -21.069 903 HD1 HIS 119 HD1 HIS 119 -18.793 24.508 -19.409 904 HD2 HIS 119 HD2 HIS 119 -14.843 25.836 -19.302 905 HE1 HIS 119 HE1 HIS 119 -18.831 26.779 -18.291 906 HE2 HIS 119 HE2 HIS 119 -16.431 27.603 -18.217 907 H HIS 120 H HIS 120 -17.815 20.105 -19.229 908 HA HIS 120 HA HIS 120 -15.806 18.245 -20.038 909 HB2 HIS 120 1HB HIS 120 -18.843 17.985 -20.140 910 HB3 HIS 120 2HB HIS 120 -17.689 16.654 -20.242 911 HD1 HIS 120 HD1 HIS 120 -16.027 16.474 -18.049 912 HD2 HIS 120 HD2 HIS 120 -19.581 18.591 -17.542 913 HE1 HIS 120 HE1 HIS 120 -16.406 16.649 -15.551 914 HE2 HIS 120 HE2 HIS 120 -18.571 17.937 -15.225 915 H HIS 121 H HIS 121 -15.359 17.362 -22.029 916 HA HIS 121 HA HIS 121 -15.794 18.950 -24.361 917 HB2 HIS 121 1HB HIS 121 -14.824 16.076 -24.095 918 HB3 HIS 121 2HB HIS 121 -14.667 17.079 -25.541 919 HD1 HIS 121 HD1 HIS 121 -13.115 16.401 -22.250 920 HD2 HIS 121 HD2 HIS 121 -12.854 19.347 -25.189 921 HE1 HIS 121 HE1 HIS 121 -11.027 17.740 -21.739 922 HE2 HIS 121 HE2 HIS 121 -10.855 19.540 -23.521 923 H HIS 122 H HIS 122 -17.282 15.982 -23.126 924 HA HIS 122 HA HIS 122 -19.659 16.410 -24.791 925 HB2 HIS 122 1HB HIS 122 -18.005 13.854 -25.010 926 HB3 HIS 122 2HB HIS 122 -19.573 14.136 -25.769 927 HD1 HIS 122 HD1 HIS 122 -15.955 15.137 -25.966 928 HD2 HIS 122 HD2 HIS 122 -19.493 15.819 -28.064 929 HE1 HIS 122 HE1 HIS 122 -15.297 16.294 -28.120 930 HE2 HIS 122 HE2 HIS 122 -17.443 16.717 -29.411 Start of MODEL 7 1 H1 MET 1 1H MET 1 13.740 11.760 3.242 2 H2 MET 1 2H MET 1 13.221 10.414 2.343 3 H3 MET 1 3H MET 1 14.433 10.237 3.521 4 HA MET 1 HA MET 1 12.688 9.469 4.727 5 HB2 MET 1 1HB MET 1 12.469 12.502 4.972 6 HB3 MET 1 2HB MET 1 11.792 11.357 6.130 7 HG2 MET 1 1HG MET 1 14.064 10.466 6.583 8 HG3 MET 1 2HG MET 1 14.744 11.626 5.439 9 HE1 MET 1 3HE MET 1 15.785 12.842 9.027 10 HE2 MET 1 1HE MET 1 16.308 12.095 7.510 11 HE3 MET 1 2HE MET 1 15.362 11.169 8.672 12 H ASP 2 H ASP 2 11.803 9.313 2.144 13 HA ASP 2 HA ASP 2 9.407 10.724 1.561 14 HB2 ASP 2 1HB ASP 2 10.736 9.460 -0.125 15 HB3 ASP 2 2HB ASP 2 10.252 7.949 0.630 16 H LEU 3 H LEU 3 7.231 10.040 1.713 17 HA LEU 3 HA LEU 3 6.539 8.988 4.203 18 HB2 LEU 3 1HB LEU 3 4.972 9.642 1.719 19 HB3 LEU 3 2HB LEU 3 4.136 8.835 3.041 20 HG LEU 3 HG LEU 3 4.775 10.660 4.598 21 HD11 LEU 3 1HD1 LEU 3 6.167 11.828 2.146 22 HD12 LEU 3 2HD1 LEU 3 6.876 11.438 3.717 23 HD13 LEU 3 3HD1 LEU 3 5.763 12.787 3.571 24 HD21 LEU 3 3HD2 LEU 3 2.645 10.823 3.332 25 HD22 LEU 3 1HD2 LEU 3 3.481 11.678 2.031 26 HD23 LEU 3 2HD2 LEU 3 3.331 12.418 3.624 27 HA PRO 4 HA PRO 4 6.611 4.554 3.682 28 HB2 PRO 4 1HB PRO 4 3.842 4.454 4.923 29 HB3 PRO 4 2HB PRO 4 5.305 3.550 5.389 30 HG2 PRO 4 1HG PRO 4 4.534 5.610 6.857 31 HG3 PRO 4 2HG PRO 4 6.254 5.432 6.463 32 HD2 PRO 4 1HD PRO 4 4.210 7.277 5.156 33 HD3 PRO 4 2HD PRO 4 5.859 7.622 5.709 34 H ILE 5 H ILE 5 3.757 6.298 2.661 35 HA ILE 5 HA ILE 5 3.100 4.210 0.603 36 HB ILE 5 HB ILE 5 1.297 6.360 1.808 37 HG12 ILE 5 1HG1 ILE 5 1.237 3.311 2.175 38 HG13 ILE 5 2HG1 ILE 5 1.917 4.418 3.360 39 HG21 ILE 5 1HG2 ILE 5 -0.508 5.105 0.559 40 HG22 ILE 5 2HG2 ILE 5 0.734 4.121 -0.201 41 HG23 ILE 5 3HG2 ILE 5 0.652 5.849 -0.526 42 HD11 ILE 5 3HD1 ILE 5 -0.960 4.575 2.421 43 HD12 ILE 5 1HD1 ILE 5 -0.211 5.469 3.742 44 HD13 ILE 5 2HD1 ILE 5 -0.436 3.723 3.847 45 H THR 6 H THR 6 3.180 4.735 -1.474 46 HA THR 6 HA THR 6 3.214 7.546 -2.375 47 HB THR 6 HB THR 6 5.570 7.174 -2.048 48 HG1 THR 6 HG1 THR 6 5.090 8.142 -3.984 49 HG21 THR 6 3HG2 THR 6 6.771 5.255 -3.036 50 HG22 THR 6 1HG2 THR 6 5.250 4.588 -3.614 51 HG23 THR 6 2HG2 THR 6 5.564 4.697 -1.883 52 H LEU 7 H LEU 7 2.353 7.814 -4.335 53 HA LEU 7 HA LEU 7 1.870 5.505 -6.108 54 HB2 LEU 7 1HB LEU 7 -0.515 6.329 -6.405 55 HB3 LEU 7 2HB LEU 7 -0.179 5.557 -4.868 56 HG LEU 7 HG LEU 7 0.285 8.542 -4.834 57 HD11 LEU 7 1HD1 LEU 7 -2.089 9.148 -4.683 58 HD12 LEU 7 2HD1 LEU 7 -2.556 7.495 -5.071 59 HD13 LEU 7 3HD1 LEU 7 -1.724 8.482 -6.275 60 HD21 LEU 7 3HD2 LEU 7 0.389 7.083 -2.798 61 HD22 LEU 7 1HD2 LEU 7 -1.327 6.719 -2.994 62 HD23 LEU 7 2HD2 LEU 7 -0.805 8.370 -2.647 63 H SER 8 H SER 8 1.133 6.132 -8.240 64 HA SER 8 HA SER 8 2.672 8.409 -9.241 65 HB2 SER 8 1HB SER 8 2.724 6.280 -10.456 66 HB3 SER 8 2HB SER 8 0.976 6.322 -10.660 67 HG SER 8 HG SER 8 2.484 8.536 -11.473 68 H LYS 9 H LYS 9 1.772 10.373 -9.212 69 HA LYS 9 HA LYS 9 -0.968 10.801 -10.228 70 HB2 LYS 9 1HB LYS 9 -1.477 12.290 -8.293 71 HB3 LYS 9 2HB LYS 9 -1.343 10.597 -7.829 72 HG2 LYS 9 1HG LYS 9 0.983 10.976 -7.069 73 HG3 LYS 9 2HG LYS 9 0.864 12.673 -7.506 74 HD2 LYS 9 1HD LYS 9 -0.880 11.267 -5.432 75 HD3 LYS 9 2HD LYS 9 0.500 12.300 -5.071 76 HE2 LYS 9 1HE LYS 9 -1.285 13.833 -4.821 77 HE3 LYS 9 2HE LYS 9 -0.889 14.111 -6.512 78 HZ1 LYS 9 3HZ LYS 9 -2.817 13.244 -7.165 79 HZ2 LYS 9 1HZ LYS 9 -3.314 13.402 -5.550 80 HZ3 LYS 9 2HZ LYS 9 -2.702 11.918 -6.106 81 H GLU 10 H GLU 10 1.220 11.298 -11.682 82 HA GLU 10 HA GLU 10 2.475 13.792 -11.413 83 HB2 GLU 10 1HB GLU 10 1.667 12.315 -13.953 84 HB3 GLU 10 2HB GLU 10 2.856 13.619 -13.885 85 HG2 GLU 10 1HG GLU 10 3.094 10.965 -12.393 86 HG3 GLU 10 2HG GLU 10 3.921 11.352 -13.896 87 H THR 11 H THR 11 -0.579 12.955 -13.021 88 HA THR 11 HA THR 11 -1.336 15.856 -13.118 89 HB THR 11 HB THR 11 -2.569 15.385 -15.144 90 HG1 THR 11 HG1 THR 11 -3.168 13.405 -15.371 91 HG21 THR 11 3HG2 THR 11 0.239 14.217 -15.345 92 HG22 THR 11 1HG2 THR 11 -0.122 15.945 -15.327 93 HG23 THR 11 2HG2 THR 11 -0.686 14.938 -16.660 94 HA PRO 12 HA PRO 12 -4.253 13.605 -10.173 95 HB2 PRO 12 1HB PRO 12 -4.721 16.570 -9.646 96 HB3 PRO 12 2HB PRO 12 -4.703 15.219 -8.484 97 HG2 PRO 12 1HG PRO 12 -2.578 16.775 -8.645 98 HG3 PRO 12 2HG PRO 12 -2.336 15.011 -8.599 99 HD2 PRO 12 1HD PRO 12 -2.204 16.853 -11.015 100 HD3 PRO 12 2HD PRO 12 -1.149 15.476 -10.605 101 H PHE 13 H PHE 13 -6.126 12.905 -11.044 102 HA PHE 13 HA PHE 13 -8.201 14.685 -11.927 103 HB2 PHE 13 1HB PHE 13 -6.661 14.698 -13.930 104 HB3 PHE 13 2HB PHE 13 -6.874 12.959 -14.078 105 HD1 PHE 13 HD2 PHE 13 -8.643 16.255 -14.170 106 HD2 PHE 13 HD1 PHE 13 -8.966 12.039 -15.029 107 HE1 PHE 13 HE2 PHE 13 -10.762 16.659 -15.382 108 HE2 PHE 13 HE1 PHE 13 -11.088 12.456 -16.235 109 HZ PHE 13 HZ PHE 13 -11.989 14.763 -16.414 110 H GLU 14 H GLU 14 -10.029 13.686 -11.330 111 HA GLU 14 HA GLU 14 -10.200 11.046 -10.383 112 HB2 GLU 14 1HB GLU 14 -12.423 12.823 -11.469 113 HB3 GLU 14 2HB GLU 14 -12.668 11.378 -10.477 114 HG2 GLU 14 1HG GLU 14 -11.367 12.426 -8.634 115 HG3 GLU 14 2HG GLU 14 -11.131 13.870 -9.619 116 H GLY 15 H GLY 15 -10.995 9.126 -11.274 117 HA2 GLY 15 1HA GLY 15 -11.768 7.658 -12.929 118 HA3 GLY 15 2HA GLY 15 -11.759 8.963 -14.107 119 H GLU 16 H GLU 16 -8.957 9.702 -13.290 120 HA GLU 16 HA GLU 16 -7.560 8.117 -15.223 121 HB2 GLU 16 1HB GLU 16 -7.010 10.514 -14.644 122 HB3 GLU 16 2HB GLU 16 -6.348 9.960 -13.107 123 HG2 GLU 16 1HG GLU 16 -4.698 8.547 -14.324 124 HG3 GLU 16 2HG GLU 16 -5.364 9.092 -15.861 125 H GLU 17 H GLU 17 -6.116 6.468 -14.961 126 HA GLU 17 HA GLU 17 -6.355 4.871 -12.572 127 HB2 GLU 17 1HB GLU 17 -6.136 3.915 -14.889 128 HB3 GLU 17 2HB GLU 17 -4.466 4.478 -14.942 129 HG2 GLU 17 1HG GLU 17 -3.946 3.084 -12.940 130 HG3 GLU 17 2HG GLU 17 -5.616 2.525 -12.896 131 H ILE 18 H ILE 18 -4.843 4.483 -11.022 132 HA ILE 18 HA ILE 18 -2.286 6.029 -11.047 133 HB ILE 18 HB ILE 18 -2.666 6.488 -8.592 134 HG12 ILE 18 1HG1 ILE 18 -5.584 5.715 -9.180 135 HG13 ILE 18 2HG1 ILE 18 -4.471 4.664 -8.317 136 HG21 ILE 18 1HG2 ILE 18 -4.739 7.666 -10.500 137 HG22 ILE 18 2HG2 ILE 18 -3.081 8.235 -10.301 138 HG23 ILE 18 3HG2 ILE 18 -4.224 8.390 -8.976 139 HD11 ILE 18 3HD1 ILE 18 -5.844 5.961 -6.743 140 HD12 ILE 18 1HD1 ILE 18 -5.234 7.462 -7.428 141 HD13 ILE 18 2HD1 ILE 18 -4.141 6.368 -6.586 142 H THR 19 H THR 19 -0.594 5.107 -9.977 143 HA THR 19 HA THR 19 -0.769 2.190 -9.630 144 HB THR 19 HB THR 19 1.668 4.018 -9.452 145 HG1 THR 19 HG1 THR 19 1.861 2.852 -11.633 146 HG21 THR 19 3HG2 THR 19 2.900 1.911 -9.940 147 HG22 THR 19 1HG2 THR 19 1.392 1.006 -9.865 148 HG23 THR 19 2HG2 THR 19 2.024 1.791 -8.417 149 H VAL 20 H VAL 20 -1.422 1.497 -7.680 150 HA VAL 20 HA VAL 20 -0.834 3.075 -5.229 151 HB VAL 20 HB VAL 20 -2.493 0.513 -5.508 152 HG11 VAL 20 1HG1 VAL 20 -1.759 0.973 -3.191 153 HG12 VAL 20 2HG1 VAL 20 -3.476 1.316 -3.351 154 HG13 VAL 20 3HG1 VAL 20 -2.320 2.642 -3.318 155 HG21 VAL 20 3HG2 VAL 20 -3.441 2.320 -6.915 156 HG22 VAL 20 1HG2 VAL 20 -3.365 3.444 -5.555 157 HG23 VAL 20 2HG2 VAL 20 -4.452 2.053 -5.503 158 H SER 21 H SER 21 0.982 2.646 -4.160 159 HA SER 21 HA SER 21 2.043 -0.140 -4.004 160 HB2 SER 21 1HB SER 21 3.671 2.394 -4.364 161 HB3 SER 21 2HB SER 21 4.307 0.762 -4.169 162 HG SER 21 HG SER 21 4.211 1.053 -6.320 163 H ALA 22 H ALA 22 2.525 -0.810 -2.032 164 HA ALA 22 HA ALA 22 2.552 1.133 0.244 165 HB1 ALA 22 3HB ALA 22 0.547 -0.307 0.213 166 HB2 ALA 22 1HB ALA 22 1.581 -0.667 1.599 167 HB3 ALA 22 2HB ALA 22 1.571 -1.740 0.194 168 H ARG 23 H ARG 23 4.370 1.187 1.374 169 HA ARG 23 HA ARG 23 6.535 -0.722 0.787 170 HB2 ARG 23 1HB ARG 23 6.457 1.710 2.614 171 HB3 ARG 23 2HB ARG 23 7.898 0.758 2.247 172 HG2 ARG 23 1HG ARG 23 7.630 1.292 -0.166 173 HG3 ARG 23 2HG ARG 23 6.208 2.259 0.195 174 HD2 ARG 23 1HD ARG 23 7.595 3.751 1.601 175 HD3 ARG 23 2HD ARG 23 9.017 2.772 1.244 176 HE ARG 23 HE ARG 23 7.804 3.641 -1.178 177 HH11 ARG 23 1HH2 ARG 23 9.622 4.793 1.543 178 HH12 ARG 23 2HH2 ARG 23 10.361 6.093 0.674 179 HH21 ARG 23 1HH1 ARG 23 8.765 5.365 -2.315 180 HH22 ARG 23 2HH1 ARG 23 9.864 6.427 -1.503 181 H VAL 24 H VAL 24 6.740 -2.539 1.901 182 HA VAL 24 HA VAL 24 5.570 -2.787 4.638 183 HB VAL 24 HB VAL 24 5.795 -5.273 4.198 184 HG11 VAL 24 1HG1 VAL 24 3.863 -5.379 2.633 185 HG12 VAL 24 2HG1 VAL 24 4.141 -3.695 2.177 186 HG13 VAL 24 3HG1 VAL 24 3.649 -4.095 3.824 187 HG21 VAL 24 3HG2 VAL 24 6.130 -6.003 1.837 188 HG22 VAL 24 1HG2 VAL 24 7.560 -5.223 2.479 189 HG23 VAL 24 2HG2 VAL 24 6.508 -4.348 1.378 190 H THR 25 H THR 25 6.874 -2.853 6.327 191 HA THR 25 HA THR 25 9.785 -2.921 5.963 192 HB THR 25 HB THR 25 8.141 -2.517 8.497 193 HG1 THR 25 HG1 THR 25 8.129 -0.987 6.538 194 HG21 THR 25 3HG2 THR 25 10.465 -3.189 9.001 195 HG22 THR 25 1HG2 THR 25 10.262 -1.472 9.330 196 HG23 THR 25 2HG2 THR 25 11.082 -1.992 7.862 197 H ASN 26 H ASN 26 10.959 -4.704 6.213 198 HA ASN 26 HA ASN 26 9.733 -7.193 7.118 199 HB2 ASN 26 1HB ASN 26 11.252 -7.102 5.177 200 HB3 ASN 26 2HB ASN 26 12.582 -6.620 6.210 201 HD21 ASN 26 2HD2 ASN 26 13.844 -8.554 5.993 202 HD22 ASN 26 1HD2 ASN 26 13.308 -10.063 6.552 203 H ARG 27 H ARG 27 9.623 -7.629 9.215 204 HA ARG 27 HA ARG 27 11.711 -6.654 11.109 205 HB2 ARG 27 1HB ARG 27 8.832 -7.545 11.523 206 HB3 ARG 27 2HB ARG 27 9.919 -7.046 12.817 207 HG2 ARG 27 1HG ARG 27 9.718 -5.039 10.568 208 HG3 ARG 27 2HG ARG 27 8.198 -5.305 11.410 209 HD2 ARG 27 1HD ARG 27 9.531 -3.435 12.409 210 HD3 ARG 27 2HD ARG 27 9.220 -4.732 13.564 211 HE ARG 27 HE ARG 27 11.707 -5.183 12.267 212 HH11 ARG 27 1HH2 ARG 27 10.194 -3.077 14.576 213 HH12 ARG 27 2HH2 ARG 27 11.657 -2.766 15.448 214 HH21 ARG 27 1HH1 ARG 27 13.615 -4.777 13.416 215 HH22 ARG 27 2HH1 ARG 27 13.589 -3.726 14.793 216 H GLY 28 H GLY 28 13.225 -8.223 11.191 217 HA2 GLY 28 1HA GLY 28 12.679 -10.672 12.541 218 HA3 GLY 28 2HA GLY 28 12.911 -10.962 10.814 219 H ALA 29 H ALA 29 14.549 -11.616 13.264 220 HA ALA 29 HA ALA 29 17.015 -10.092 13.002 221 HB1 ALA 29 3HB ALA 29 16.421 -12.682 14.483 222 HB2 ALA 29 1HB ALA 29 16.308 -11.060 15.166 223 HB3 ALA 29 2HB ALA 29 17.877 -11.696 14.666 224 H ALA 30 H ALA 30 15.639 -12.074 10.892 225 HA ALA 30 HA ALA 30 18.196 -12.971 9.739 226 HB1 ALA 30 3HB ALA 30 17.403 -15.295 9.469 227 HB2 ALA 30 1HB ALA 30 15.928 -14.905 10.360 228 HB3 ALA 30 2HB ALA 30 17.487 -14.863 11.179 229 H GLU 31 H GLU 31 17.875 -13.866 7.553 230 HA GLU 31 HA GLU 31 16.443 -12.101 5.905 231 HB2 GLU 31 1HB GLU 31 17.403 -14.922 5.292 232 HB3 GLU 31 2HB GLU 31 16.903 -13.741 4.076 233 HG2 GLU 31 1HG GLU 31 18.702 -12.200 4.826 234 HG3 GLU 31 2HG GLU 31 19.205 -13.375 6.042 235 H ALA 32 H ALA 32 14.313 -11.904 5.584 236 HA ALA 32 HA ALA 32 12.476 -14.138 6.247 237 HB1 ALA 32 3HB ALA 32 11.882 -11.229 5.597 238 HB2 ALA 32 1HB ALA 32 12.075 -11.879 7.223 239 HB3 ALA 32 2HB ALA 32 10.734 -12.418 6.210 240 H HIS 33 H HIS 33 10.869 -14.788 4.795 241 HA HIS 33 HA HIS 33 10.996 -13.868 2.006 242 HB2 HIS 33 1HB HIS 33 12.650 -15.820 2.368 243 HB3 HIS 33 2HB HIS 33 11.248 -16.847 2.642 244 HD1 HIS 33 HD1 HIS 33 9.927 -17.584 0.588 245 HD2 HIS 33 HD2 HIS 33 12.773 -14.658 -0.318 246 HE1 HIS 33 HE1 HIS 33 9.965 -17.375 -1.936 247 HE2 HIS 33 HE2 HIS 33 11.695 -15.604 -2.500 248 H ASN 34 H ASN 34 9.322 -15.127 0.709 249 HA ASN 34 HA ASN 34 7.034 -15.292 0.350 250 HB2 ASN 34 1HB ASN 34 7.270 -16.925 2.901 251 HB3 ASN 34 2HB ASN 34 5.922 -16.997 1.765 252 HD21 ASN 34 2HD2 ASN 34 7.029 -17.174 -0.706 253 HD22 ASN 34 1HD2 ASN 34 8.098 -18.487 -0.821 254 H VAL 35 H VAL 35 7.321 -12.862 1.140 255 HA VAL 35 HA VAL 35 5.499 -12.332 3.451 256 HB VAL 35 HB VAL 35 7.498 -10.438 2.203 257 HG11 VAL 35 1HG1 VAL 35 5.617 -9.298 3.338 258 HG12 VAL 35 2HG1 VAL 35 7.090 -9.122 4.279 259 HG13 VAL 35 3HG1 VAL 35 5.868 -10.290 4.774 260 HG21 VAL 35 3HG2 VAL 35 8.682 -12.311 3.266 261 HG22 VAL 35 1HG2 VAL 35 7.680 -12.169 4.712 262 HG23 VAL 35 2HG2 VAL 35 8.823 -10.892 4.301 263 HA PRO 36 HA PRO 36 3.184 -10.952 -0.322 264 HB2 PRO 36 1HB PRO 36 0.698 -11.884 0.272 265 HB3 PRO 36 2HB PRO 36 1.974 -12.969 -0.333 266 HG2 PRO 36 1HG PRO 36 1.070 -12.540 2.502 267 HG3 PRO 36 2HG PRO 36 1.394 -14.067 1.663 268 HD2 PRO 36 1HD PRO 36 3.244 -12.861 3.337 269 HD3 PRO 36 2HD PRO 36 3.732 -13.879 1.962 270 H VAL 37 H VAL 37 1.176 -9.556 -0.460 271 HA VAL 37 HA VAL 37 0.604 -7.938 1.933 272 HB VAL 37 HB VAL 37 2.666 -6.940 0.971 273 HG11 VAL 37 1HG1 VAL 37 2.310 -7.591 -1.405 274 HG12 VAL 37 2HG1 VAL 37 2.640 -5.874 -1.230 275 HG13 VAL 37 3HG1 VAL 37 1.003 -6.413 -1.530 276 HG21 VAL 37 3HG2 VAL 37 0.208 -5.180 0.544 277 HG22 VAL 37 1HG2 VAL 37 1.850 -4.617 0.852 278 HG23 VAL 37 2HG2 VAL 37 0.972 -5.492 2.101 279 H ALA 38 H ALA 38 -1.313 -6.892 1.831 280 HA ALA 38 HA ALA 38 -2.934 -7.086 -0.668 281 HB1 ALA 38 3HB ALA 38 -4.869 -7.710 0.724 282 HB2 ALA 38 1HB ALA 38 -3.853 -7.693 2.177 283 HB3 ALA 38 2HB ALA 38 -3.570 -8.894 0.910 284 H VAL 39 H VAL 39 -3.912 -5.247 -1.181 285 HA VAL 39 HA VAL 39 -4.053 -3.027 0.813 286 HB VAL 39 HB VAL 39 -3.802 -2.772 -2.226 287 HG11 VAL 39 1HG1 VAL 39 -3.251 -0.420 -1.673 288 HG12 VAL 39 2HG1 VAL 39 -3.480 -0.747 0.032 289 HG13 VAL 39 3HG1 VAL 39 -4.850 -0.832 -1.070 290 HG21 VAL 39 3HG2 VAL 39 -1.433 -2.123 -1.765 291 HG22 VAL 39 1HG2 VAL 39 -1.745 -3.794 -1.312 292 HG23 VAL 39 2HG2 VAL 39 -1.650 -2.549 -0.065 293 H TYR 40 H TYR 40 -5.897 -1.839 0.895 294 HA TYR 40 HA TYR 40 -8.137 -2.365 -0.912 295 HB2 TYR 40 1HB TYR 40 -9.663 -3.058 0.968 296 HB3 TYR 40 2HB TYR 40 -8.403 -4.242 0.626 297 HD1 TYR 40 HD2 TYR 40 -9.538 -1.642 3.036 298 HD2 TYR 40 HD1 TYR 40 -6.521 -4.615 2.202 299 HE1 TYR 40 HE2 TYR 40 -8.683 -1.446 5.345 300 HE2 TYR 40 HE1 TYR 40 -5.690 -4.406 4.521 301 HH TYR 40 HH TYR 40 -7.008 -3.527 6.879 302 H LEU 41 H LEU 41 -9.573 -0.707 -0.956 303 HA LEU 41 HA LEU 41 -8.845 1.714 0.605 304 HB2 LEU 41 1HB LEU 41 -9.211 1.515 -2.050 305 HB3 LEU 41 2HB LEU 41 -10.901 1.760 -1.641 306 HG LEU 41 HG LEU 41 -8.576 3.618 -0.916 307 HD11 LEU 41 1HD1 LEU 41 -9.211 3.708 -3.299 308 HD12 LEU 41 2HD1 LEU 41 -9.641 5.200 -2.467 309 HD13 LEU 41 3HD1 LEU 41 -10.892 4.016 -2.848 310 HD21 LEU 41 3HD2 LEU 41 -10.598 5.174 -0.251 311 HD22 LEU 41 1HD2 LEU 41 -10.042 3.955 0.873 312 HD23 LEU 41 2HD2 LEU 41 -11.496 3.672 -0.082 313 H GLY 42 H GLY 42 -10.081 2.490 2.178 314 HA2 GLY 42 1HA GLY 42 -12.331 3.054 2.997 315 HA3 GLY 42 2HA GLY 42 -12.844 1.410 2.620 316 H ASN 43 H ASN 43 -13.454 1.026 4.746 317 HA ASN 43 HA ASN 43 -11.225 0.692 6.690 318 HB2 ASN 43 1HB ASN 43 -14.045 1.559 7.274 319 HB3 ASN 43 2HB ASN 43 -12.807 1.263 8.494 320 HD21 ASN 43 2HD2 ASN 43 -13.886 3.531 6.010 321 HD22 ASN 43 1HD2 ASN 43 -12.747 4.738 6.367 322 HA PRO 44 HA PRO 44 -12.392 -3.655 6.756 323 HB2 PRO 44 1HB PRO 44 -11.846 -3.454 9.741 324 HB3 PRO 44 2HB PRO 44 -11.279 -4.681 8.582 325 HG2 PRO 44 1HG PRO 44 -9.624 -2.777 9.419 326 HG3 PRO 44 2HG PRO 44 -9.624 -3.263 7.707 327 HD2 PRO 44 1HD PRO 44 -10.825 -0.761 8.945 328 HD3 PRO 44 2HD PRO 44 -9.999 -0.985 7.383 329 H ALA 45 H ALA 45 -13.660 -1.491 9.270 330 HA ALA 45 HA ALA 45 -15.797 -3.081 10.213 331 HB1 ALA 45 3HB ALA 45 -15.006 -1.028 11.350 332 HB2 ALA 45 1HB ALA 45 -16.743 -0.954 11.044 333 HB3 ALA 45 2HB ALA 45 -15.621 -0.051 10.018 334 H GLN 46 H GLN 46 -15.703 -0.640 7.622 335 HA GLN 46 HA GLN 46 -18.456 -0.852 6.885 336 HB2 GLN 46 1HB GLN 46 -16.032 0.041 5.269 337 HB3 GLN 46 2HB GLN 46 -17.710 0.307 4.788 338 HG2 GLN 46 1HG GLN 46 -16.483 1.366 7.377 339 HG3 GLN 46 2HG GLN 46 -16.659 2.312 5.907 340 HE21 GLN 46 2HE2 GLN 46 -19.190 1.857 5.024 341 HE22 GLN 46 1HE2 GLN 46 -20.341 2.214 6.220 342 H GLY 47 H GLY 47 -15.738 -1.809 4.794 343 HA2 GLY 47 1HA GLY 47 -16.269 -4.523 4.520 344 HA3 GLY 47 2HA GLY 47 -17.299 -3.717 3.339 345 H GLY 48 H GLY 48 -13.909 -3.699 4.476 346 HA2 GLY 48 1HA GLY 48 -12.803 -2.560 2.129 347 HA3 GLY 48 2HA GLY 48 -11.928 -3.482 3.343 348 H VAL 49 H VAL 49 -11.651 -3.573 0.422 349 HA VAL 49 HA VAL 49 -11.958 -6.510 0.044 350 HB VAL 49 HB VAL 49 -13.904 -5.424 -1.042 351 HG11 VAL 49 1HG1 VAL 49 -13.648 -3.871 -2.909 352 HG12 VAL 49 2HG1 VAL 49 -11.895 -3.947 -2.801 353 HG13 VAL 49 3HG1 VAL 49 -12.826 -3.205 -1.502 354 HG21 VAL 49 3HG2 VAL 49 -12.856 -7.473 -2.058 355 HG22 VAL 49 1HG2 VAL 49 -11.892 -6.437 -3.113 356 HG23 VAL 49 2HG2 VAL 49 -13.645 -6.455 -3.257 357 H GLU 50 H GLU 50 -10.282 -7.443 -0.943 358 HA GLU 50 HA GLU 50 -7.840 -5.999 -1.244 359 HB2 GLU 50 1HB GLU 50 -7.961 -8.403 -0.613 360 HB3 GLU 50 2HB GLU 50 -8.531 -8.800 -2.232 361 HG2 GLU 50 1HG GLU 50 -6.423 -7.951 -3.210 362 HG3 GLU 50 2HG GLU 50 -5.855 -7.459 -1.614 363 H ILE 51 H ILE 51 -6.902 -5.139 -3.014 364 HA ILE 51 HA ILE 51 -8.453 -5.063 -5.564 365 HB ILE 51 HB ILE 51 -6.167 -3.266 -4.634 366 HG12 ILE 51 1HG1 ILE 51 -9.176 -2.678 -4.709 367 HG13 ILE 51 2HG1 ILE 51 -8.305 -3.093 -3.244 368 HG21 ILE 51 1HG2 ILE 51 -6.408 -3.369 -7.108 369 HG22 ILE 51 2HG2 ILE 51 -6.938 -1.816 -6.514 370 HG23 ILE 51 3HG2 ILE 51 -8.129 -3.026 -6.966 371 HD11 ILE 51 3HD1 ILE 51 -7.751 -0.673 -4.981 372 HD12 ILE 51 1HD1 ILE 51 -6.834 -1.119 -3.543 373 HD13 ILE 51 2HD1 ILE 51 -8.532 -0.668 -3.405 374 H GLY 52 H GLY 52 -5.262 -5.750 -4.204 375 HA2 GLY 52 1HA GLY 52 -4.618 -7.700 -6.159 376 HA3 GLY 52 2HA GLY 52 -3.823 -6.183 -6.567 377 H ARG 53 H ARG 53 -2.367 -8.439 -5.969 378 HA ARG 53 HA ARG 53 -0.857 -7.557 -3.607 379 HB2 ARG 53 1HB ARG 53 -0.806 -9.909 -2.702 380 HB3 ARG 53 2HB ARG 53 -2.405 -9.163 -2.615 381 HG2 ARG 53 1HG ARG 53 -3.084 -10.350 -4.688 382 HG3 ARG 53 2HG ARG 53 -1.492 -11.100 -4.785 383 HD2 ARG 53 1HD ARG 53 -3.447 -11.452 -2.482 384 HD3 ARG 53 2HD ARG 53 -3.177 -12.625 -3.767 385 HE ARG 53 HE ARG 53 -1.503 -12.173 -1.467 386 HH11 ARG 53 1HH2 ARG 53 -1.472 -13.121 -4.816 387 HH12 ARG 53 2HH2 ARG 53 -0.013 -14.043 -4.674 388 HH21 ARG 53 1HH1 ARG 53 0.391 -13.385 -1.296 389 HH22 ARG 53 2HH1 ARG 53 1.042 -14.190 -2.683 390 H ASP 54 H ASP 54 1.210 -8.620 -3.453 391 HA ASP 54 HA ASP 54 2.232 -10.070 -5.791 392 HB2 ASP 54 1HB ASP 54 3.265 -7.292 -5.085 393 HB3 ASP 54 2HB ASP 54 3.991 -8.376 -6.266 394 H THR 55 H THR 55 3.448 -11.620 -4.912 395 HA THR 55 HA THR 55 4.568 -11.370 -2.247 396 HB THR 55 HB THR 55 4.982 -13.615 -4.267 397 HG1 THR 55 HG1 THR 55 3.201 -13.823 -2.157 398 HG21 THR 55 3HG2 THR 55 6.572 -13.652 -2.352 399 HG22 THR 55 1HG2 THR 55 5.405 -14.966 -2.227 400 HG23 THR 55 2HG2 THR 55 5.220 -13.530 -1.227 401 H ILE 56 H ILE 56 6.592 -10.858 -1.711 402 HA ILE 56 HA ILE 56 8.562 -10.267 -3.879 403 HB ILE 56 HB ILE 56 8.486 -9.192 -1.019 404 HG12 ILE 56 1HG1 ILE 56 7.642 -7.793 -3.617 405 HG13 ILE 56 2HG1 ILE 56 6.514 -8.420 -2.419 406 HG21 ILE 56 1HG2 ILE 56 10.162 -7.563 -1.906 407 HG22 ILE 56 2HG2 ILE 56 10.098 -8.345 -3.479 408 HG23 ILE 56 3HG2 ILE 56 10.751 -9.202 -2.094 409 HD11 ILE 56 3HD1 ILE 56 8.559 -6.225 -1.944 410 HD12 ILE 56 1HD1 ILE 56 7.515 -6.916 -0.701 411 HD13 ILE 56 2HD1 ILE 56 6.814 -6.033 -2.053 412 H SER 57 H SER 57 10.618 -11.049 -3.720 413 HA SER 57 HA SER 57 11.100 -13.219 -1.713 414 HB2 SER 57 1HB SER 57 11.089 -14.001 -4.040 415 HB3 SER 57 2HB SER 57 12.292 -12.790 -4.465 416 HG SER 57 HG SER 57 13.452 -13.892 -2.553 417 H ARG 58 H ARG 58 12.887 -10.814 -3.631 418 HA ARG 58 HA ARG 58 15.200 -10.894 -1.984 419 HB2 ARG 58 1HB ARG 58 14.986 -10.034 -4.403 420 HB3 ARG 58 2HB ARG 58 14.317 -8.556 -3.743 421 HG2 ARG 58 1HG ARG 58 16.582 -7.907 -3.816 422 HG3 ARG 58 2HG ARG 58 16.583 -8.621 -2.216 423 HD2 ARG 58 1HD ARG 58 17.280 -10.838 -3.315 424 HD3 ARG 58 2HD ARG 58 17.516 -9.920 -4.799 425 HE ARG 58 HE ARG 58 19.460 -9.020 -3.890 426 HH11 ARG 58 1HH2 ARG 58 17.511 -10.419 -1.369 427 HH12 ARG 58 2HH2 ARG 58 18.729 -10.245 -0.150 428 HH21 ARG 58 1HH1 ARG 58 21.047 -8.803 -2.286 429 HH22 ARG 58 2HH1 ARG 58 20.725 -9.333 -0.669 430 H ILE 59 H ILE 59 14.239 -10.775 0.127 431 HA ILE 59 HA ILE 59 13.653 -7.977 1.006 432 HB ILE 59 HB ILE 59 12.521 -10.462 2.292 433 HG12 ILE 59 1HG1 ILE 59 11.249 -8.503 0.312 434 HG13 ILE 59 2HG1 ILE 59 11.638 -10.180 -0.019 435 HG21 ILE 59 1HG2 ILE 59 11.845 -7.494 2.595 436 HG22 ILE 59 2HG2 ILE 59 12.754 -8.450 3.761 437 HG23 ILE 59 3HG2 ILE 59 11.073 -8.827 3.455 438 HD11 ILE 59 3HD1 ILE 59 9.566 -10.649 0.610 439 HD12 ILE 59 1HD1 ILE 59 9.330 -9.061 1.301 440 HD13 ILE 59 2HD1 ILE 59 10.044 -10.351 2.262 441 HA PRO 60 HA PRO 60 17.362 -9.502 3.358 442 HB2 PRO 60 1HB PRO 60 18.888 -7.241 3.282 443 HB3 PRO 60 2HB PRO 60 18.767 -8.321 1.875 444 HG2 PRO 60 1HG PRO 60 17.271 -5.754 2.411 445 HG3 PRO 60 2HG PRO 60 18.097 -6.272 0.921 446 HD2 PRO 60 1HD PRO 60 15.378 -6.545 1.265 447 HD3 PRO 60 2HD PRO 60 16.306 -7.693 0.269 448 H VAL 61 H VAL 61 18.236 -8.816 5.448 449 HA VAL 61 HA VAL 61 16.175 -7.976 7.242 450 HB VAL 61 HB VAL 61 17.974 -8.196 8.958 451 HG11 VAL 61 1HG1 VAL 61 16.727 -10.195 8.174 452 HG12 VAL 61 2HG1 VAL 61 18.383 -10.609 8.616 453 HG13 VAL 61 3HG1 VAL 61 17.940 -10.446 6.916 454 HG21 VAL 61 3HG2 VAL 61 20.240 -8.961 8.242 455 HG22 VAL 61 1HG2 VAL 61 19.901 -7.338 7.659 456 HG23 VAL 61 2HG2 VAL 61 19.785 -8.709 6.560 457 H GLY 62 H GLY 62 15.927 -6.061 8.360 458 HA2 GLY 62 1HA GLY 62 16.128 -3.838 8.873 459 HA3 GLY 62 2HA GLY 62 17.807 -3.907 8.343 460 H GLY 63 H GLY 63 15.565 -5.068 6.047 461 HA2 GLY 63 1HA GLY 63 15.764 -2.582 4.414 462 HA3 GLY 63 2HA GLY 63 15.657 -4.226 3.798 463 H THR 64 H THR 64 13.896 -3.110 2.570 464 HA THR 64 HA THR 64 11.303 -3.641 3.888 465 HB THR 64 HB THR 64 10.344 -1.518 3.201 466 HG1 THR 64 HG1 THR 64 11.258 -0.734 1.488 467 HG21 THR 64 3HG2 THR 64 13.031 -0.830 4.459 468 HG22 THR 64 1HG2 THR 64 11.716 -1.555 5.378 469 HG23 THR 64 2HG2 THR 64 11.513 0.034 4.654 470 H GLY 65 H GLY 65 9.651 -4.116 2.453 471 HA2 GLY 65 1HA GLY 65 10.522 -4.967 -0.252 472 HA3 GLY 65 2HA GLY 65 9.087 -5.493 0.606 473 H LEU 66 H LEU 66 9.331 -4.398 -2.089 474 HA LEU 66 HA LEU 66 7.358 -2.183 -1.794 475 HB2 LEU 66 1HB LEU 66 9.941 -1.652 -2.568 476 HB3 LEU 66 2HB LEU 66 9.263 -1.992 -4.151 477 HG LEU 66 HG LEU 66 8.210 0.066 -2.156 478 HD11 LEU 66 1HD1 LEU 66 9.619 0.442 -4.806 479 HD12 LEU 66 2HD1 LEU 66 10.314 0.736 -3.208 480 HD13 LEU 66 3HD1 LEU 66 8.974 1.725 -3.781 481 HD21 LEU 66 3HD2 LEU 66 7.200 -0.730 -4.915 482 HD22 LEU 66 1HD2 LEU 66 6.750 0.768 -4.109 483 HD23 LEU 66 2HD2 LEU 66 6.312 -0.765 -3.391 484 H ALA 67 H ALA 67 5.537 -2.797 -2.624 485 HA ALA 67 HA ALA 67 5.435 -4.730 -4.890 486 HB1 ALA 67 3HB ALA 67 3.058 -5.040 -4.092 487 HB2 ALA 67 1HB ALA 67 3.438 -3.970 -2.738 488 HB3 ALA 67 2HB ALA 67 4.289 -5.503 -2.914 489 H ARG 68 H ARG 68 3.932 -4.359 -6.542 490 HA ARG 68 HA ARG 68 3.115 -1.499 -6.940 491 HB2 ARG 68 1HB ARG 68 5.103 -2.126 -8.325 492 HB3 ARG 68 2HB ARG 68 4.143 -3.382 -9.103 493 HG2 ARG 68 1HG ARG 68 2.542 -1.651 -9.916 494 HG3 ARG 68 2HG ARG 68 3.494 -0.396 -9.121 495 HD2 ARG 68 1HD ARG 68 4.053 -0.487 -11.506 496 HD3 ARG 68 2HD ARG 68 5.445 -1.019 -10.557 497 HE ARG 68 HE ARG 68 3.852 -3.265 -11.237 498 HH11 ARG 68 1HH2 ARG 68 5.955 -0.907 -12.691 499 HH12 ARG 68 2HH2 ARG 68 6.463 -1.961 -13.968 500 HH21 ARG 68 1HH1 ARG 68 4.522 -4.629 -12.904 501 HH22 ARG 68 2HH1 ARG 68 5.653 -4.062 -14.088 502 H VAL 69 H VAL 69 1.038 -1.266 -7.187 503 HA VAL 69 HA VAL 69 -0.601 -3.360 -8.516 504 HB VAL 69 HB VAL 69 -1.400 -1.992 -5.897 505 HG11 VAL 69 1HG1 VAL 69 -2.703 -4.219 -7.530 506 HG12 VAL 69 2HG1 VAL 69 -3.325 -2.582 -7.337 507 HG13 VAL 69 3HG1 VAL 69 -3.260 -3.663 -5.953 508 HG21 VAL 69 3HG2 VAL 69 0.404 -3.596 -5.443 509 HG22 VAL 69 1HG2 VAL 69 -0.394 -4.835 -6.414 510 HG23 VAL 69 2HG2 VAL 69 -1.118 -4.287 -4.899 511 H GLN 70 H GLN 70 -2.187 -2.588 -9.763 512 HA GLN 70 HA GLN 70 -2.387 0.374 -10.113 513 HB2 GLN 70 1HB GLN 70 -3.029 -1.913 -12.011 514 HB3 GLN 70 2HB GLN 70 -3.247 -0.197 -12.380 515 HG2 GLN 70 1HG GLN 70 -0.807 0.180 -12.026 516 HG3 GLN 70 2HG GLN 70 -0.594 -1.539 -11.688 517 HE21 GLN 70 2HE2 GLN 70 0.958 -1.070 -13.678 518 HE22 GLN 70 1HE2 GLN 70 0.283 -1.350 -15.210 519 H TRP 71 H TRP 71 -4.309 1.380 -9.968 520 HA TRP 71 HA TRP 71 -6.803 -0.182 -9.651 521 HB2 TRP 71 1HB TRP 71 -5.927 0.226 -7.350 522 HB3 TRP 71 2HB TRP 71 -5.886 1.950 -7.668 523 HD1 TRP 71 HD1 TRP 71 -8.585 -0.831 -8.092 524 HE1 TRP 71 HE1 TRP 71 -10.836 0.114 -7.282 525 HE3 TRP 71 HE3 TRP 71 -7.117 3.843 -6.645 526 HZ2 TRP 71 HZ2 TRP 71 -11.886 2.533 -6.175 527 HZ3 TRP 71 HZ3 TRP 71 -8.761 5.449 -5.714 528 HH2 TRP 71 HH2 TRP 71 -11.143 4.802 -5.472 529 H LYS 72 H LYS 72 -8.472 0.721 -10.615 530 HA LYS 72 HA LYS 72 -8.148 3.380 -11.893 531 HB2 LYS 72 1HB LYS 72 -8.610 1.390 -13.324 532 HB3 LYS 72 2HB LYS 72 -10.172 1.204 -12.545 533 HG2 LYS 72 1HG LYS 72 -10.804 3.508 -13.273 534 HG3 LYS 72 2HG LYS 72 -9.245 3.677 -14.080 535 HD2 LYS 72 1HD LYS 72 -11.371 1.591 -14.759 536 HD3 LYS 72 2HD LYS 72 -11.063 3.071 -15.664 537 HE2 LYS 72 1HE LYS 72 -9.805 1.520 -16.929 538 HE3 LYS 72 2HE LYS 72 -8.556 2.054 -15.813 539 HZ1 LYS 72 3HZ LYS 72 -9.512 -0.507 -16.167 540 HZ2 LYS 72 1HZ LYS 72 -10.101 -0.014 -14.656 541 HZ3 LYS 72 2HZ LYS 72 -8.432 0.030 -14.969 542 H ALA 73 H ALA 73 -9.284 5.056 -11.176 543 HA ALA 73 HA ALA 73 -11.037 4.843 -8.916 544 HB1 ALA 73 3HB ALA 73 -11.400 7.274 -9.280 545 HB2 ALA 73 1HB ALA 73 -10.567 7.159 -10.834 546 HB3 ALA 73 2HB ALA 73 -9.685 6.859 -9.342 547 H THR 74 H THR 74 -13.247 4.906 -8.828 548 HA THR 74 HA THR 74 -14.773 4.704 -11.403 549 HB THR 74 HB THR 74 -16.299 3.183 -10.267 550 HG1 THR 74 HG1 THR 74 -15.886 2.557 -8.149 551 HG21 THR 74 3HG2 THR 74 -14.239 2.227 -11.318 552 HG22 THR 74 1HG2 THR 74 -14.792 1.266 -9.943 553 HG23 THR 74 2HG2 THR 74 -13.418 2.354 -9.760 554 H ARG 75 H ARG 75 -16.536 5.944 -11.636 555 HA ARG 75 HA ARG 75 -17.952 7.172 -9.458 556 HB2 ARG 75 1HB ARG 75 -15.726 8.548 -9.677 557 HB3 ARG 75 2HB ARG 75 -16.376 9.151 -11.198 558 HG2 ARG 75 1HG ARG 75 -18.405 9.978 -9.936 559 HG3 ARG 75 2HG ARG 75 -17.670 9.423 -8.442 560 HD2 ARG 75 1HD ARG 75 -15.736 10.942 -8.842 561 HD3 ARG 75 2HD ARG 75 -16.520 11.516 -10.315 562 HE ARG 75 HE ARG 75 -17.950 12.802 -9.019 563 HH11 ARG 75 1HH2 ARG 75 -16.448 10.356 -7.055 564 HH12 ARG 75 2HH2 ARG 75 -17.098 10.959 -5.567 565 HH21 ARG 75 1HH1 ARG 75 -18.804 13.581 -7.063 566 HH22 ARG 75 2HH1 ARG 75 -18.430 12.780 -5.574 567 H LYS 76 H LYS 76 -18.750 5.581 -11.599 568 HA LYS 76 HA LYS 76 -19.791 7.200 -13.766 569 HB2 LYS 76 1HB LYS 76 -20.009 4.294 -12.915 570 HB3 LYS 76 2HB LYS 76 -21.196 4.908 -14.056 571 HG2 LYS 76 1HG LYS 76 -19.329 3.892 -15.268 572 HG3 LYS 76 2HG LYS 76 -19.374 5.626 -15.591 573 HD2 LYS 76 1HD LYS 76 -17.560 6.006 -13.956 574 HD3 LYS 76 2HD LYS 76 -17.555 4.292 -13.535 575 HE2 LYS 76 1HE LYS 76 -15.730 4.827 -15.123 576 HE3 LYS 76 2HE LYS 76 -16.898 3.733 -15.867 577 HZ1 LYS 76 3HZ LYS 76 -17.251 6.633 -16.150 578 HZ2 LYS 76 1HZ LYS 76 -17.750 5.385 -17.181 579 HZ3 LYS 76 2HZ LYS 76 -16.112 5.841 -17.130 580 H LEU 77 H LEU 77 -21.767 8.053 -13.997 581 HA LEU 77 HA LEU 77 -23.669 9.112 -13.296 582 HB2 LEU 77 1HB LEU 77 -24.066 6.196 -12.580 583 HB3 LEU 77 2HB LEU 77 -25.331 7.338 -12.170 584 HG LEU 77 HG LEU 77 -25.717 6.223 -14.381 585 HD11 LEU 77 1HD1 LEU 77 -25.274 9.113 -15.156 586 HD12 LEU 77 2HD1 LEU 77 -26.371 8.785 -13.820 587 HD13 LEU 77 3HD1 LEU 77 -26.667 8.067 -15.389 588 HD21 LEU 77 3HD2 LEU 77 -23.245 6.073 -14.985 589 HD22 LEU 77 1HD2 LEU 77 -23.299 7.787 -15.399 590 HD23 LEU 77 2HD2 LEU 77 -24.282 6.633 -16.286 591 H ALA 78 H ALA 78 -22.491 10.468 -11.813 592 HA ALA 78 HA ALA 78 -22.225 9.805 -9.032 593 HB1 ALA 78 3HB ALA 78 -21.620 12.196 -8.784 594 HB2 ALA 78 1HB ALA 78 -22.177 12.513 -10.431 595 HB3 ALA 78 2HB ALA 78 -20.781 11.476 -10.156 596 H GLY 79 H GLY 79 -23.479 10.477 -7.298 597 HA2 GLY 79 1HA GLY 79 -26.317 10.789 -7.768 598 HA3 GLY 79 2HA GLY 79 -25.497 10.742 -6.212 599 H ARG 80 H ARG 80 -24.498 12.976 -8.712 600 HA ARG 80 HA ARG 80 -24.334 15.265 -8.726 601 HB2 ARG 80 1HB ARG 80 -27.129 15.037 -7.535 602 HB3 ARG 80 2HB ARG 80 -26.452 16.486 -8.288 603 HG2 ARG 80 1HG ARG 80 -26.198 15.252 -10.434 604 HG3 ARG 80 2HG ARG 80 -26.889 13.808 -9.686 605 HD2 ARG 80 1HD ARG 80 -28.319 16.481 -9.964 606 HD3 ARG 80 2HD ARG 80 -28.591 15.076 -10.992 607 HE ARG 80 HE ARG 80 -29.610 15.483 -8.322 608 HH11 ARG 80 1HH2 ARG 80 -28.591 13.069 -10.613 609 HH12 ARG 80 2HH2 ARG 80 -29.523 11.803 -9.888 610 HH21 ARG 80 1HH1 ARG 80 -30.820 13.821 -7.385 611 HH22 ARG 80 2HH1 ARG 80 -30.783 12.229 -8.065 612 H ALA 81 H ALA 81 -23.760 13.652 -6.168 613 HA ALA 81 HA ALA 81 -24.128 15.583 -4.005 614 HB1 ALA 81 3HB ALA 81 -24.245 13.141 -3.597 615 HB2 ALA 81 1HB ALA 81 -22.948 13.884 -2.660 616 HB3 ALA 81 2HB ALA 81 -22.572 12.965 -4.122 617 H ALA 82 H ALA 82 -21.834 15.495 -2.632 618 HA ALA 82 HA ALA 82 -19.477 16.034 -4.204 619 HB1 ALA 82 3HB ALA 82 -20.909 18.408 -2.938 620 HB2 ALA 82 1HB ALA 82 -20.759 18.102 -4.667 621 HB3 ALA 82 2HB ALA 82 -19.319 18.450 -3.709 622 H ASN 83 H ASN 83 -18.717 14.487 -2.717 623 HA ASN 83 HA ASN 83 -17.712 15.637 -0.206 624 HB2 ASN 83 1HB ASN 83 -19.402 13.119 -0.287 625 HB3 ASN 83 2HB ASN 83 -18.524 13.715 1.121 626 HD21 ASN 83 2HD2 ASN 83 -19.082 16.305 1.402 627 HD22 ASN 83 1HD2 ASN 83 -20.750 16.625 1.406 628 HA PRO 84 HA PRO 84 -14.708 13.019 -2.710 629 HB2 PRO 84 1HB PRO 84 -12.944 15.098 -1.349 630 HB3 PRO 84 2HB PRO 84 -12.800 14.423 -2.992 631 HG2 PRO 84 1HG PRO 84 -13.817 16.844 -2.695 632 HG3 PRO 84 2HG PRO 84 -14.637 15.701 -3.790 633 HD2 PRO 84 1HD PRO 84 -15.424 16.450 -0.946 634 HD3 PRO 84 2HD PRO 84 -16.467 16.261 -2.382 635 H GLY 85 H GLY 85 -12.135 13.085 -1.221 636 HA2 GLY 85 1HA GLY 85 -11.159 12.282 0.763 637 HA3 GLY 85 2HA GLY 85 -12.744 11.918 1.429 638 H VAL 86 H VAL 86 -10.265 10.886 -0.842 639 HA VAL 86 HA VAL 86 -11.294 8.069 -0.780 640 HB VAL 86 HB VAL 86 -10.069 7.863 -3.008 641 HG11 VAL 86 1HG1 VAL 86 -11.935 8.870 -4.309 642 HG12 VAL 86 2HG1 VAL 86 -12.444 9.766 -2.876 643 HG13 VAL 86 3HG1 VAL 86 -12.531 8.004 -2.893 644 HG21 VAL 86 3HG2 VAL 86 -10.178 10.922 -2.919 645 HG22 VAL 86 1HG2 VAL 86 -9.638 9.935 -4.274 646 HG23 VAL 86 2HG2 VAL 86 -8.708 9.971 -2.788 647 HA PRO 87 HA PRO 87 -7.028 8.454 1.214 648 HB2 PRO 87 1HB PRO 87 -7.621 7.095 3.548 649 HB3 PRO 87 2HB PRO 87 -7.940 8.840 3.362 650 HG2 PRO 87 1HG PRO 87 -9.855 6.544 2.870 651 HG3 PRO 87 2HG PRO 87 -10.084 7.964 3.936 652 HD2 PRO 87 1HD PRO 87 -11.132 8.021 1.504 653 HD3 PRO 87 2HD PRO 87 -10.258 9.463 2.059 654 H VAL 88 H VAL 88 -5.838 6.449 2.205 655 HA VAL 88 HA VAL 88 -6.639 3.900 0.888 656 HB VAL 88 HB VAL 88 -4.292 3.623 0.051 657 HG11 VAL 88 1HG1 VAL 88 -4.506 5.131 -1.883 658 HG12 VAL 88 2HG1 VAL 88 -5.667 6.131 -1.018 659 HG13 VAL 88 3HG1 VAL 88 -6.086 4.477 -1.461 660 HG21 VAL 88 3HG2 VAL 88 -4.007 6.556 0.862 661 HG22 VAL 88 1HG2 VAL 88 -2.829 5.631 -0.061 662 HG23 VAL 88 2HG2 VAL 88 -3.168 5.200 1.606 663 H TYR 89 H TYR 89 -5.582 2.061 1.724 664 HA TYR 89 HA TYR 89 -4.091 2.315 4.268 665 HB2 TYR 89 1HB TYR 89 -6.705 0.750 4.017 666 HB3 TYR 89 2HB TYR 89 -5.652 0.784 5.433 667 HD1 TYR 89 HD2 TYR 89 -5.294 2.945 6.707 668 HD2 TYR 89 HD1 TYR 89 -8.231 2.638 3.559 669 HE1 TYR 89 HE2 TYR 89 -6.378 5.030 7.497 670 HE2 TYR 89 HE1 TYR 89 -9.293 4.717 4.370 671 HH TYR 89 HH TYR 89 -9.430 5.993 6.562 672 H ALA 90 H ALA 90 -2.833 0.579 4.714 673 HA ALA 90 HA ALA 90 -2.920 -1.813 2.953 674 HB1 ALA 90 3HB ALA 90 -0.495 -1.630 2.531 675 HB2 ALA 90 1HB ALA 90 -0.446 -0.099 3.416 676 HB3 ALA 90 2HB ALA 90 -1.345 -0.215 1.906 677 H VAL 91 H VAL 91 -2.239 -3.651 3.914 678 HA VAL 91 HA VAL 91 -1.139 -3.526 6.684 679 HB VAL 91 HB VAL 91 -3.378 -5.389 5.740 680 HG11 VAL 91 1HG1 VAL 91 -1.943 -6.404 7.494 681 HG12 VAL 91 2HG1 VAL 91 -3.504 -5.972 8.174 682 HG13 VAL 91 3HG1 VAL 91 -2.098 -4.954 8.487 683 HG21 VAL 91 3HG2 VAL 91 -4.190 -3.061 5.977 684 HG22 VAL 91 1HG2 VAL 91 -3.450 -2.937 7.576 685 HG23 VAL 91 2HG2 VAL 91 -4.796 -4.044 7.303 686 H VAL 92 H VAL 92 0.442 -4.912 7.089 687 HA VAL 92 HA VAL 92 1.457 -6.605 4.898 688 HB VAL 92 HB VAL 92 2.979 -5.045 6.090 689 HG11 VAL 92 1HG1 VAL 92 2.624 -6.824 8.549 690 HG12 VAL 92 2HG1 VAL 92 1.889 -5.232 8.363 691 HG13 VAL 92 3HG1 VAL 92 3.642 -5.392 8.406 692 HG21 VAL 92 3HG2 VAL 92 3.875 -7.126 5.047 693 HG22 VAL 92 1HG2 VAL 92 3.671 -7.981 6.577 694 HG23 VAL 92 2HG2 VAL 92 4.818 -6.652 6.455 695 H ASP 93 H ASP 93 1.506 -8.800 4.970 696 HA ASP 93 HA ASP 93 -0.311 -10.247 6.374 697 HB2 ASP 93 1HB ASP 93 0.835 -11.127 4.439 698 HB3 ASP 93 2HB ASP 93 2.353 -11.179 5.315 699 HA PRO 94 HA PRO 94 1.587 -10.306 10.497 700 HB2 PRO 94 1HB PRO 94 -0.022 -12.057 11.818 701 HB3 PRO 94 2HB PRO 94 -0.650 -10.498 11.229 702 HG2 PRO 94 1HG PRO 94 -0.828 -13.185 9.867 703 HG3 PRO 94 2HG PRO 94 -2.152 -12.051 10.255 704 HD2 PRO 94 1HD PRO 94 -1.012 -12.050 7.781 705 HD3 PRO 94 2HD PRO 94 -1.499 -10.504 8.540 706 H ASP 95 H ASP 95 3.088 -11.523 11.655 707 HA ASP 95 HA ASP 95 4.410 -13.664 10.242 708 HB2 ASP 95 1HB ASP 95 5.918 -13.672 12.237 709 HB3 ASP 95 2HB ASP 95 5.696 -12.058 11.569 710 H ASN 96 H ASN 96 2.414 -13.459 13.176 711 HA ASN 96 HA ASN 96 1.411 -16.118 12.862 712 HB2 ASN 96 1HB ASN 96 3.722 -16.632 13.729 713 HB3 ASN 96 2HB ASN 96 3.353 -15.711 15.179 714 HD21 ASN 96 2HD2 ASN 96 1.910 -18.399 13.236 715 HD22 ASN 96 1HD2 ASN 96 1.395 -19.288 14.588 716 H ARG 97 H ARG 97 0.117 -13.752 13.074 717 HA ARG 97 HA ARG 97 -1.497 -12.605 14.240 718 HB2 ARG 97 1HB ARG 97 -1.798 -15.318 15.574 719 HB3 ARG 97 2HB ARG 97 -3.013 -14.034 15.590 720 HG2 ARG 97 1HG ARG 97 -3.170 -14.144 13.113 721 HG3 ARG 97 2HG ARG 97 -1.952 -15.423 13.086 722 HD2 ARG 97 1HD ARG 97 -4.647 -15.610 14.496 723 HD3 ARG 97 2HD ARG 97 -4.256 -16.350 12.942 724 HE ARG 97 HE ARG 97 -2.325 -17.196 14.801 725 HH11 ARG 97 1HH2 ARG 97 -5.734 -17.524 14.193 726 HH12 ARG 97 2HH2 ARG 97 -5.845 -19.085 14.933 727 HH21 ARG 97 1HH1 ARG 97 -2.485 -19.230 15.768 728 HH22 ARG 97 2HH1 ARG 97 -4.011 -20.048 15.822 729 H VAL 98 H VAL 98 0.410 -11.436 15.218 730 HA VAL 98 HA VAL 98 1.317 -12.027 17.856 731 HB VAL 98 HB VAL 98 1.274 -9.336 16.400 732 HG11 VAL 98 1HG1 VAL 98 3.246 -8.850 17.903 733 HG12 VAL 98 2HG1 VAL 98 2.927 -10.351 18.765 734 HG13 VAL 98 3HG1 VAL 98 1.743 -9.043 18.800 735 HG21 VAL 98 3HG2 VAL 98 2.410 -11.097 15.073 736 HG22 VAL 98 1HG2 VAL 98 3.404 -11.524 16.469 737 HG23 VAL 98 2HG2 VAL 98 3.583 -9.945 15.703 738 H ALA 99 H ALA 99 -0.464 -9.054 17.061 739 HA ALA 99 HA ALA 99 -2.706 -9.562 18.780 740 HB1 ALA 99 3HB ALA 99 -2.141 -7.961 20.586 741 HB2 ALA 99 1HB ALA 99 -0.543 -7.726 19.877 742 HB3 ALA 99 2HB ALA 99 -0.987 -9.289 20.543 743 H GLU 100 H GLU 100 -4.099 -7.682 18.991 744 HA GLU 100 HA GLU 100 -4.335 -6.232 16.555 745 HB2 GLU 100 1HB GLU 100 -5.598 -5.690 19.270 746 HB3 GLU 100 2HB GLU 100 -6.119 -4.953 17.750 747 HG2 GLU 100 1HG GLU 100 -6.632 -7.206 16.831 748 HG3 GLU 100 2HG GLU 100 -6.112 -7.945 18.346 749 H SER 101 H SER 101 -3.793 -4.854 19.804 750 HA SER 101 HA SER 101 -3.064 -2.287 19.116 751 HB2 SER 101 1HB SER 101 -1.838 -2.189 21.244 752 HB3 SER 101 2HB SER 101 -3.318 -3.124 21.451 753 HG SER 101 HG SER 101 -0.672 -3.902 21.554 754 H ASP 102 H ASP 102 -0.972 -5.162 19.140 755 HA ASP 102 HA ASP 102 1.492 -3.871 18.567 756 HB2 ASP 102 1HB ASP 102 1.349 -6.227 19.305 757 HB3 ASP 102 2HB ASP 102 0.566 -6.668 17.794 758 H LYS 103 H LYS 103 -0.350 -5.850 16.205 759 HA LYS 103 HA LYS 103 0.842 -4.978 13.869 760 HB2 LYS 103 1HB LYS 103 -2.100 -5.593 14.306 761 HB3 LYS 103 2HB LYS 103 -1.307 -5.560 12.727 762 HG2 LYS 103 1HG LYS 103 0.206 -7.382 13.415 763 HG3 LYS 103 2HG LYS 103 -0.518 -7.412 15.013 764 HD2 LYS 103 1HD LYS 103 -2.761 -7.943 13.907 765 HD3 LYS 103 2HD LYS 103 -1.891 -8.096 12.380 766 HE2 LYS 103 1HE LYS 103 -0.430 -9.869 13.511 767 HE3 LYS 103 2HE LYS 103 -1.534 -9.796 14.879 768 HZ1 LYS 103 3HZ LYS 103 -2.952 -10.008 12.421 769 HZ2 LYS 103 1HZ LYS 103 -3.033 -10.992 13.801 770 HZ3 LYS 103 2HZ LYS 103 -1.858 -11.295 12.612 771 H ALA 104 H ALA 104 -1.815 -3.399 15.624 772 HA ALA 104 HA ALA 104 -2.411 -1.326 13.845 773 HB1 ALA 104 3HB ALA 104 -3.720 -1.820 15.890 774 HB2 ALA 104 1HB ALA 104 -3.288 -0.113 15.789 775 HB3 ALA 104 2HB ALA 104 -2.409 -1.185 16.875 776 H ASN 105 H ASN 105 0.591 -1.952 14.933 777 HA ASN 105 HA ASN 105 1.528 0.815 15.406 778 HB2 ASN 105 1HB ASN 105 3.052 -1.822 15.297 779 HB3 ASN 105 2HB ASN 105 3.771 -0.259 15.655 780 HD21 ASN 105 2HD2 ASN 105 3.693 -2.535 17.513 781 HD22 ASN 105 1HD2 ASN 105 2.796 -2.028 18.863 782 H ASN 106 H ASN 106 1.615 -1.684 12.879 783 HA ASN 106 HA ASN 106 3.272 -0.001 11.102 784 HB2 ASN 106 1HB ASN 106 3.238 -2.005 9.634 785 HB3 ASN 106 2HB ASN 106 3.791 -2.408 11.258 786 HD21 ASN 106 2HD2 ASN 106 1.041 -2.718 9.019 787 HD22 ASN 106 1HD2 ASN 106 0.263 -3.951 9.887 788 H VAL 107 H VAL 107 0.895 1.229 11.656 789 HA VAL 107 HA VAL 107 -0.920 0.735 9.338 790 HB VAL 107 HB VAL 107 -1.292 2.519 11.793 791 HG11 VAL 107 1HG1 VAL 107 -3.203 1.744 9.526 792 HG12 VAL 107 2HG1 VAL 107 -2.608 3.367 9.875 793 HG13 VAL 107 3HG1 VAL 107 -3.694 2.574 11.003 794 HG21 VAL 107 3HG2 VAL 107 -2.849 0.757 12.543 795 HG22 VAL 107 1HG2 VAL 107 -1.255 0.065 12.266 796 HG23 VAL 107 2HG2 VAL 107 -2.525 -0.186 11.083 797 H PHE 108 H PHE 108 -1.071 2.116 7.712 798 HA PHE 108 HA PHE 108 0.103 4.821 7.871 799 HB2 PHE 108 1HB PHE 108 0.843 2.820 5.693 800 HB3 PHE 108 2HB PHE 108 1.434 4.472 5.842 801 HD1 PHE 108 HD1 PHE 108 2.476 5.058 8.282 802 HD2 PHE 108 HD2 PHE 108 2.316 1.098 6.554 803 HE1 PHE 108 HE1 PHE 108 4.292 4.317 9.782 804 HE2 PHE 108 HE2 PHE 108 4.131 0.378 8.074 805 HZ PHE 108 HZ PHE 108 5.126 1.984 9.685 806 H SER 109 H SER 109 -0.791 6.269 6.485 807 HA SER 109 HA SER 109 -2.604 5.512 4.355 808 HB2 SER 109 1HB SER 109 -4.056 5.141 6.325 809 HB3 SER 109 2HB SER 109 -3.742 6.781 6.879 810 HG SER 109 HG SER 109 -4.840 7.573 5.162 811 H ARG 110 H ARG 110 -3.180 7.265 3.073 812 HA ARG 110 HA ARG 110 -2.232 9.971 3.828 813 HB2 ARG 110 1HB ARG 110 -0.321 8.816 2.697 814 HB3 ARG 110 2HB ARG 110 -1.329 8.560 1.274 815 HG2 ARG 110 1HG ARG 110 -1.614 11.039 1.050 816 HG3 ARG 110 2HG ARG 110 -0.591 11.270 2.465 817 HD2 ARG 110 1HD ARG 110 1.277 10.134 1.263 818 HD3 ARG 110 2HD ARG 110 0.246 9.987 -0.166 819 HE ARG 110 HE ARG 110 1.625 12.357 0.741 820 HH11 ARG 110 1HH2 ARG 110 -1.217 11.213 -0.907 821 HH12 ARG 110 2HH2 ARG 110 -1.470 12.689 -1.775 822 HH21 ARG 110 1HH1 ARG 110 1.281 14.287 -0.403 823 HH22 ARG 110 2HH1 ARG 110 -0.060 14.423 -1.491 824 H ILE 111 H ILE 111 -3.570 11.493 3.144 825 HA ILE 111 HA ILE 111 -5.942 10.754 1.605 826 HB ILE 111 HB ILE 111 -5.064 13.385 2.896 827 HG12 ILE 111 1HG1 ILE 111 -6.945 12.850 4.499 828 HG13 ILE 111 2HG1 ILE 111 -7.178 11.309 3.689 829 HG21 ILE 111 1HG2 ILE 111 -6.540 13.991 1.045 830 HG22 ILE 111 2HG2 ILE 111 -7.517 14.061 2.502 831 HG23 ILE 111 3HG2 ILE 111 -7.651 12.673 1.419 832 HD11 ILE 111 3HD1 ILE 111 -4.438 11.962 4.807 833 HD12 ILE 111 1HD1 ILE 111 -5.239 10.400 4.601 834 HD13 ILE 111 2HD1 ILE 111 -5.733 11.478 5.893 835 H VAL 112 H VAL 112 -5.929 10.793 -0.538 836 HA VAL 112 HA VAL 112 -3.953 12.428 -2.030 837 HB VAL 112 HB VAL 112 -5.896 10.335 -3.138 838 HG11 VAL 112 1HG1 VAL 112 -4.880 11.914 -4.792 839 HG12 VAL 112 2HG1 VAL 112 -4.290 10.275 -5.016 840 HG13 VAL 112 3HG1 VAL 112 -3.275 11.474 -4.217 841 HG21 VAL 112 3HG2 VAL 112 -3.955 8.766 -3.028 842 HG22 VAL 112 1HG2 VAL 112 -4.460 9.281 -1.421 843 HG23 VAL 112 2HG2 VAL 112 -3.020 9.986 -2.160 844 H LYS 113 H LYS 113 -4.668 14.466 -2.306 845 HA LYS 113 HA LYS 113 -7.508 15.083 -2.722 846 HB2 LYS 113 1HB LYS 113 -5.024 16.847 -2.672 847 HB3 LYS 113 2HB LYS 113 -6.683 17.444 -2.790 848 HG2 LYS 113 1HG LYS 113 -7.227 16.366 -0.610 849 HG3 LYS 113 2HG LYS 113 -5.561 15.788 -0.486 850 HD2 LYS 113 1HD LYS 113 -4.744 18.143 -0.502 851 HD3 LYS 113 2HD LYS 113 -6.413 18.715 -0.605 852 HE2 LYS 113 1HE LYS 113 -5.246 17.065 1.678 853 HE3 LYS 113 2HE LYS 113 -5.609 18.792 1.735 854 HZ1 LYS 113 3HZ LYS 113 -7.487 16.520 1.532 855 HZ2 LYS 113 1HZ LYS 113 -7.953 18.081 1.065 856 HZ3 LYS 113 2HZ LYS 113 -7.466 17.785 2.665 857 H VAL 114 H VAL 114 -8.404 15.066 -4.673 858 HA VAL 114 HA VAL 114 -6.754 15.658 -7.097 859 HB VAL 114 HB VAL 114 -8.955 13.549 -6.936 860 HG11 VAL 114 1HG1 VAL 114 -8.692 14.552 -9.177 861 HG12 VAL 114 2HG1 VAL 114 -8.092 12.900 -9.172 862 HG13 VAL 114 3HG1 VAL 114 -6.963 14.244 -9.105 863 HG21 VAL 114 3HG2 VAL 114 -5.925 13.211 -6.971 864 HG22 VAL 114 1HG2 VAL 114 -7.097 11.899 -7.122 865 HG23 VAL 114 2HG2 VAL 114 -7.002 12.820 -5.626 866 H LEU 115 H LEU 115 -7.591 17.068 -8.460 867 HA LEU 115 HA LEU 115 -10.458 17.736 -8.462 868 HB2 LEU 115 1HB LEU 115 -9.913 20.191 -8.250 869 HB3 LEU 115 2HB LEU 115 -9.665 19.284 -6.770 870 HG LEU 115 HG LEU 115 -7.199 19.439 -8.518 871 HD11 LEU 115 1HD1 LEU 115 -8.240 21.946 -7.161 872 HD12 LEU 115 2HD1 LEU 115 -8.058 21.703 -8.900 873 HD13 LEU 115 3HD1 LEU 115 -6.632 21.751 -7.866 874 HD21 LEU 115 3HD2 LEU 115 -7.622 20.058 -5.562 875 HD22 LEU 115 1HD2 LEU 115 -6.079 19.790 -6.374 876 HD23 LEU 115 2HD2 LEU 115 -7.227 18.466 -6.202 877 H GLU 116 H GLU 116 -10.709 19.648 -10.081 878 HA GLU 116 HA GLU 116 -8.931 19.339 -12.433 879 HB2 GLU 116 1HB GLU 116 -10.931 19.026 -13.895 880 HB3 GLU 116 2HB GLU 116 -10.691 17.678 -12.778 881 HG2 GLU 116 1HG GLU 116 -12.401 18.632 -11.249 882 HG3 GLU 116 2HG GLU 116 -12.658 19.971 -12.363 883 H HIS 117 H HIS 117 -8.905 21.078 -13.804 884 HA HIS 117 HA HIS 117 -9.605 23.617 -12.627 885 HB2 HIS 117 1HB HIS 117 -7.564 23.186 -14.075 886 HB3 HIS 117 2HB HIS 117 -8.624 23.098 -15.476 887 HD1 HIS 117 HD1 HIS 117 -8.534 25.510 -12.518 888 HD2 HIS 117 HD2 HIS 117 -8.449 25.600 -16.684 889 HE1 HIS 117 HE1 HIS 117 -8.509 27.951 -13.177 890 HE2 HIS 117 HE2 HIS 117 -8.458 28.026 -15.714 891 H HIS 118 H HIS 118 -11.852 23.638 -12.433 892 HA HIS 118 HA HIS 118 -13.705 22.990 -14.469 893 HB2 HIS 118 1HB HIS 118 -14.314 23.250 -12.067 894 HB3 HIS 118 2HB HIS 118 -14.031 24.985 -12.183 895 HD1 HIS 118 HD1 HIS 118 -15.843 26.410 -13.307 896 HD2 HIS 118 HD2 HIS 118 -16.630 22.323 -13.549 897 HE1 HIS 118 HE1 HIS 118 -18.193 26.186 -14.228 898 HE2 HIS 118 HE2 HIS 118 -18.686 23.700 -14.382 899 H HIS 119 H HIS 119 -12.333 26.145 -13.505 900 HA HIS 119 HA HIS 119 -13.658 27.689 -15.496 901 HB2 HIS 119 1HB HIS 119 -11.009 28.243 -14.088 902 HB3 HIS 119 2HB HIS 119 -12.005 29.431 -14.932 903 HD1 HIS 119 HD1 HIS 119 -11.395 28.160 -11.644 904 HD2 HIS 119 HD2 HIS 119 -14.796 29.452 -13.675 905 HE1 HIS 119 HE1 HIS 119 -13.129 28.679 -9.874 906 HE2 HIS 119 HE2 HIS 119 -15.211 29.469 -11.097 907 H HIS 120 H HIS 120 -13.405 26.295 -17.357 908 HA HIS 120 HA HIS 120 -10.930 25.599 -18.536 909 HB2 HIS 120 1HB HIS 120 -13.630 26.134 -19.845 910 HB3 HIS 120 2HB HIS 120 -12.269 25.332 -20.632 911 HD1 HIS 120 HD1 HIS 120 -15.280 24.481 -18.990 912 HD2 HIS 120 HD2 HIS 120 -11.390 22.997 -18.763 913 HE1 HIS 120 HE1 HIS 120 -15.454 22.162 -17.985 914 HE2 HIS 120 HE2 HIS 120 -13.091 21.245 -17.841 915 H HIS 121 H HIS 121 -12.965 28.484 -18.863 916 HA HIS 121 HA HIS 121 -11.437 29.719 -20.929 917 HB2 HIS 121 1HB HIS 121 -13.777 30.364 -20.345 918 HB3 HIS 121 2HB HIS 121 -13.208 31.035 -18.818 919 HD1 HIS 121 HD1 HIS 121 -12.462 31.438 -22.546 920 HD2 HIS 121 HD2 HIS 121 -12.489 33.706 -19.048 921 HE1 HIS 121 HE1 HIS 121 -11.861 33.802 -23.223 922 HE2 HIS 121 HE2 HIS 121 -11.872 35.198 -21.103 923 H HIS 122 H HIS 122 -9.411 30.460 -20.762 924 HA HIS 122 HA HIS 122 -7.970 30.700 -18.305 925 HB2 HIS 122 1HB HIS 122 -7.310 31.830 -21.059 926 HB3 HIS 122 2HB HIS 122 -6.173 31.639 -19.721 927 HD1 HIS 122 HD1 HIS 122 -7.989 29.727 -22.365 928 HD2 HIS 122 HD2 HIS 122 -5.466 28.910 -19.148 929 HE1 HIS 122 HE1 HIS 122 -7.262 27.314 -22.620 930 HE2 HIS 122 HE2 HIS 122 -5.722 26.800 -20.667 Start of MODEL 8 1 H1 MET 1 1H MET 1 14.848 7.344 4.037 2 H2 MET 1 2H MET 1 14.576 9.012 4.221 3 H3 MET 1 3H MET 1 14.013 8.203 2.837 4 HA MET 1 HA MET 1 12.813 6.778 4.749 5 HB2 MET 1 1HB MET 1 12.882 9.692 5.654 6 HB3 MET 1 2HB MET 1 11.873 8.431 6.362 7 HG2 MET 1 1HG MET 1 14.914 8.347 6.312 8 HG3 MET 1 2HG MET 1 13.966 8.899 7.689 9 HE1 MET 1 3HE MET 1 13.405 7.233 9.638 10 HE2 MET 1 1HE MET 1 12.396 5.841 9.222 11 HE3 MET 1 2HE MET 1 11.967 7.450 8.646 12 H ASP 2 H ASP 2 12.215 10.181 3.871 13 HA ASP 2 HA ASP 2 10.542 11.185 2.669 14 HB2 ASP 2 1HB ASP 2 10.789 8.660 0.989 15 HB3 ASP 2 2HB ASP 2 10.024 10.161 0.474 16 H LEU 3 H LEU 3 8.253 10.583 1.528 17 HA LEU 3 HA LEU 3 6.565 9.849 3.652 18 HB2 LEU 3 1HB LEU 3 5.902 9.996 0.689 19 HB3 LEU 3 2HB LEU 3 4.733 9.997 2.005 20 HG LEU 3 HG LEU 3 6.519 12.135 2.708 21 HD11 LEU 3 1HD1 LEU 3 7.505 12.030 0.424 22 HD12 LEU 3 2HD1 LEU 3 6.682 13.558 0.730 23 HD13 LEU 3 3HD1 LEU 3 5.908 12.327 -0.268 24 HD21 LEU 3 3HD2 LEU 3 4.613 13.628 2.136 25 HD22 LEU 3 1HD2 LEU 3 4.071 12.185 2.998 26 HD23 LEU 3 2HD2 LEU 3 3.860 12.300 1.257 27 HA PRO 4 HA PRO 4 6.606 5.398 3.102 28 HB2 PRO 4 1HB PRO 4 4.341 4.605 4.433 29 HB3 PRO 4 2HB PRO 4 5.712 5.334 5.304 30 HG2 PRO 4 1HG PRO 4 3.223 6.710 4.296 31 HG3 PRO 4 2HG PRO 4 3.922 6.760 5.922 32 HD2 PRO 4 1HD PRO 4 4.426 8.750 4.141 33 HD3 PRO 4 2HD PRO 4 5.689 8.175 5.245 34 H ILE 5 H ILE 5 3.603 7.047 2.316 35 HA ILE 5 HA ILE 5 2.956 4.982 0.271 36 HB ILE 5 HB ILE 5 1.264 7.271 1.356 37 HG12 ILE 5 1HG1 ILE 5 1.796 5.338 3.006 38 HG13 ILE 5 2HG1 ILE 5 0.113 5.688 2.748 39 HG21 ILE 5 1HG2 ILE 5 0.510 6.705 -0.891 40 HG22 ILE 5 2HG2 ILE 5 -0.620 5.975 0.235 41 HG23 ILE 5 3HG2 ILE 5 0.597 4.975 -0.555 42 HD11 ILE 5 3HD1 ILE 5 1.491 3.491 1.189 43 HD12 ILE 5 1HD1 ILE 5 -0.224 3.725 1.491 44 HD13 ILE 5 2HD1 ILE 5 0.847 3.224 2.793 45 H THR 6 H THR 6 3.113 5.379 -1.825 46 HA THR 6 HA THR 6 3.416 8.182 -2.808 47 HB THR 6 HB THR 6 5.289 7.560 -4.224 48 HG1 THR 6 HG1 THR 6 4.415 5.219 -4.121 49 HG21 THR 6 3HG2 THR 6 5.779 8.236 -1.846 50 HG22 THR 6 1HG2 THR 6 7.010 7.172 -2.529 51 HG23 THR 6 2HG2 THR 6 5.809 6.525 -1.413 52 H LEU 7 H LEU 7 2.007 8.553 -4.359 53 HA LEU 7 HA LEU 7 0.921 6.317 -6.011 54 HB2 LEU 7 1HB LEU 7 -0.350 9.021 -5.403 55 HB3 LEU 7 2HB LEU 7 -1.104 7.650 -6.225 56 HG LEU 7 HG LEU 7 -0.213 7.728 -3.302 57 HD11 LEU 7 1HD1 LEU 7 -2.268 9.037 -3.800 58 HD12 LEU 7 2HD1 LEU 7 -2.621 7.634 -2.799 59 HD13 LEU 7 3HD1 LEU 7 -3.000 7.607 -4.520 60 HD21 LEU 7 3HD2 LEU 7 -1.527 5.487 -3.217 61 HD22 LEU 7 1HD2 LEU 7 0.058 5.446 -3.974 62 HD23 LEU 7 2HD2 LEU 7 -1.397 5.476 -4.975 63 H SER 8 H SER 8 0.628 6.634 -8.206 64 HA SER 8 HA SER 8 2.604 8.366 -9.484 65 HB2 SER 8 1HB SER 8 1.867 7.253 -11.561 66 HB3 SER 8 2HB SER 8 2.212 6.072 -10.308 67 HG SER 8 HG SER 8 0.229 5.646 -11.348 68 H LYS 9 H LYS 9 0.288 9.585 -8.061 69 HA LYS 9 HA LYS 9 -1.490 10.646 -10.071 70 HB2 LYS 9 1HB LYS 9 -1.999 10.358 -7.567 71 HB3 LYS 9 2HB LYS 9 -1.015 11.789 -7.277 72 HG2 LYS 9 1HG LYS 9 -2.512 13.120 -8.766 73 HG3 LYS 9 2HG LYS 9 -3.475 11.681 -9.081 74 HD2 LYS 9 1HD LYS 9 -4.073 11.537 -6.687 75 HD3 LYS 9 2HD LYS 9 -3.079 12.955 -6.343 76 HE2 LYS 9 1HE LYS 9 -5.493 13.558 -6.567 77 HE3 LYS 9 2HE LYS 9 -4.507 14.344 -7.800 78 HZ1 LYS 9 3HZ LYS 9 -5.414 13.126 -9.440 79 HZ2 LYS 9 1HZ LYS 9 -6.710 12.983 -8.358 80 HZ3 LYS 9 2HZ LYS 9 -5.574 11.728 -8.488 81 H GLU 10 H GLU 10 0.992 11.024 -11.078 82 HA GLU 10 HA GLU 10 2.367 13.391 -10.514 83 HB2 GLU 10 1HB GLU 10 3.045 13.262 -13.006 84 HB3 GLU 10 2HB GLU 10 3.385 11.825 -12.043 85 HG2 GLU 10 1HG GLU 10 1.597 10.574 -13.006 86 HG3 GLU 10 2HG GLU 10 0.737 12.008 -13.541 87 H THR 11 H THR 11 -0.687 12.899 -12.096 88 HA THR 11 HA THR 11 -0.984 15.844 -12.479 89 HB THR 11 HB THR 11 -0.536 14.779 -14.658 90 HG1 THR 11 HG1 THR 11 -2.182 15.813 -15.646 91 HG21 THR 11 3HG2 THR 11 -2.023 13.136 -15.627 92 HG22 THR 11 1HG2 THR 11 -3.172 13.303 -14.307 93 HG23 THR 11 2HG2 THR 11 -1.617 12.528 -14.024 94 HA PRO 12 HA PRO 12 -4.795 14.842 -10.248 95 HB2 PRO 12 1HB PRO 12 -6.022 17.250 -10.153 96 HB3 PRO 12 2HB PRO 12 -4.469 17.001 -9.316 97 HG2 PRO 12 1HG PRO 12 -4.931 18.210 -12.049 98 HG3 PRO 12 2HG PRO 12 -4.003 18.880 -10.690 99 HD2 PRO 12 1HD PRO 12 -2.761 17.494 -12.710 100 HD3 PRO 12 2HD PRO 12 -2.179 17.397 -11.028 101 H PHE 13 H PHE 13 -6.199 13.543 -11.329 102 HA PHE 13 HA PHE 13 -8.259 14.658 -12.995 103 HB2 PHE 13 1HB PHE 13 -6.244 14.428 -14.596 104 HB3 PHE 13 2HB PHE 13 -6.414 12.687 -14.428 105 HD1 PHE 13 HD2 PHE 13 -8.633 11.573 -15.091 106 HD2 PHE 13 HD1 PHE 13 -7.793 15.697 -16.018 107 HE1 PHE 13 HE2 PHE 13 -10.457 11.573 -16.764 108 HE2 PHE 13 HE1 PHE 13 -9.630 15.690 -17.681 109 HZ PHE 13 HZ PHE 13 -10.959 13.630 -18.057 110 H GLU 14 H GLU 14 -9.769 13.661 -11.737 111 HA GLU 14 HA GLU 14 -9.659 11.099 -10.627 112 HB2 GLU 14 1HB GLU 14 -11.319 12.880 -10.034 113 HB3 GLU 14 2HB GLU 14 -12.179 12.555 -11.536 114 HG2 GLU 14 1HG GLU 14 -12.587 10.213 -10.800 115 HG3 GLU 14 2HG GLU 14 -11.694 10.522 -9.314 116 H GLY 15 H GLY 15 -10.466 9.073 -11.261 117 HA2 GLY 15 1HA GLY 15 -11.372 7.459 -12.721 118 HA3 GLY 15 2HA GLY 15 -11.451 8.648 -14.012 119 H GLU 16 H GLU 16 -8.584 9.430 -13.282 120 HA GLU 16 HA GLU 16 -7.280 7.767 -15.215 121 HB2 GLU 16 1HB GLU 16 -6.667 10.165 -14.758 122 HB3 GLU 16 2HB GLU 16 -6.013 9.682 -13.199 123 HG2 GLU 16 1HG GLU 16 -4.174 9.860 -14.805 124 HG3 GLU 16 2HG GLU 16 -4.392 8.158 -14.421 125 H GLU 17 H GLU 17 -5.953 6.042 -14.957 126 HA GLU 17 HA GLU 17 -6.153 4.496 -12.568 127 HB2 GLU 17 1HB GLU 17 -5.839 3.567 -14.894 128 HB3 GLU 17 2HB GLU 17 -4.168 4.126 -14.861 129 HG2 GLU 17 1HG GLU 17 -3.759 2.711 -12.837 130 HG3 GLU 17 2HG GLU 17 -5.427 2.144 -12.908 131 H ILE 18 H ILE 18 -4.789 4.312 -10.866 132 HA ILE 18 HA ILE 18 -2.219 5.852 -10.850 133 HB ILE 18 HB ILE 18 -2.674 6.388 -8.463 134 HG12 ILE 18 1HG1 ILE 18 -5.501 5.338 -9.001 135 HG13 ILE 18 2HG1 ILE 18 -4.307 4.487 -8.031 136 HG21 ILE 18 1HG2 ILE 18 -3.227 8.027 -10.252 137 HG22 ILE 18 2HG2 ILE 18 -4.352 8.169 -8.909 138 HG23 ILE 18 3HG2 ILE 18 -4.845 7.340 -10.383 139 HD11 ILE 18 3HD1 ILE 18 -5.780 5.723 -6.546 140 HD12 ILE 18 1HD1 ILE 18 -5.482 7.220 -7.423 141 HD13 ILE 18 2HD1 ILE 18 -4.184 6.465 -6.495 142 H THR 19 H THR 19 -0.533 4.985 -9.715 143 HA THR 19 HA THR 19 -0.686 2.067 -9.243 144 HB THR 19 HB THR 19 1.757 3.890 -9.338 145 HG1 THR 19 HG1 THR 19 1.535 3.813 -11.398 146 HG21 THR 19 3HG2 THR 19 2.152 1.713 -8.202 147 HG22 THR 19 1HG2 THR 19 2.962 1.766 -9.766 148 HG23 THR 19 2HG2 THR 19 1.458 0.870 -9.587 149 H VAL 20 H VAL 20 -1.163 1.488 -7.227 150 HA VAL 20 HA VAL 20 -0.437 3.224 -4.941 151 HB VAL 20 HB VAL 20 -2.114 0.671 -4.939 152 HG11 VAL 20 1HG1 VAL 20 -2.971 1.658 -2.780 153 HG12 VAL 20 2HG1 VAL 20 -1.786 2.948 -2.916 154 HG13 VAL 20 3HG1 VAL 20 -1.251 1.279 -2.705 155 HG21 VAL 20 3HG2 VAL 20 -3.148 2.391 -6.408 156 HG22 VAL 20 1HG2 VAL 20 -3.002 3.588 -5.122 157 HG23 VAL 20 2HG2 VAL 20 -4.076 2.203 -4.925 158 H SER 21 H SER 21 1.365 2.840 -3.833 159 HA SER 21 HA SER 21 2.508 0.089 -3.697 160 HB2 SER 21 1HB SER 21 4.077 2.683 -3.968 161 HB3 SER 21 2HB SER 21 4.746 1.061 -3.824 162 HG SER 21 HG SER 21 4.302 0.714 -5.850 163 H ALA 22 H ALA 22 2.934 -0.596 -1.720 164 HA ALA 22 HA ALA 22 2.990 1.349 0.561 165 HB1 ALA 22 3HB ALA 22 1.825 -1.465 0.477 166 HB2 ALA 22 1HB ALA 22 0.897 0.033 0.500 167 HB3 ALA 22 2HB ALA 22 1.886 -0.409 1.892 168 H ARG 23 H ARG 23 4.866 1.345 1.578 169 HA ARG 23 HA ARG 23 6.891 -0.661 1.059 170 HB2 ARG 23 1HB ARG 23 8.306 0.717 2.560 171 HB3 ARG 23 2HB ARG 23 7.591 1.668 1.262 172 HG2 ARG 23 1HG ARG 23 5.961 2.680 2.724 173 HG3 ARG 23 2HG ARG 23 6.294 1.535 4.025 174 HD2 ARG 23 1HD ARG 23 8.265 3.601 2.999 175 HD3 ARG 23 2HD ARG 23 7.346 3.698 4.504 176 HE ARG 23 HE ARG 23 8.772 1.277 4.503 177 HH11 ARG 23 1HH2 ARG 23 9.298 4.716 4.664 178 HH12 ARG 23 2HH2 ARG 23 10.762 4.580 5.579 179 HH21 ARG 23 1HH1 ARG 23 10.678 1.114 5.702 180 HH22 ARG 23 2HH1 ARG 23 11.540 2.544 6.166 181 H VAL 24 H VAL 24 7.723 -2.161 2.509 182 HA VAL 24 HA VAL 24 6.308 -2.533 5.118 183 HB VAL 24 HB VAL 24 5.443 -4.124 3.440 184 HG11 VAL 24 1HG1 VAL 24 7.439 -4.266 1.985 185 HG12 VAL 24 2HG1 VAL 24 6.829 -5.854 2.428 186 HG13 VAL 24 3HG1 VAL 24 8.268 -5.215 3.214 187 HG21 VAL 24 3HG2 VAL 24 7.228 -5.521 5.485 188 HG22 VAL 24 1HG2 VAL 24 5.772 -6.181 4.745 189 HG23 VAL 24 2HG2 VAL 24 5.660 -4.806 5.839 190 H THR 25 H THR 25 7.602 -2.898 6.816 191 HA THR 25 HA THR 25 10.543 -3.040 6.360 192 HB THR 25 HB THR 25 8.961 -2.362 8.877 193 HG1 THR 25 HG1 THR 25 10.048 -0.895 6.762 194 HG21 THR 25 3HG2 THR 25 11.192 -1.481 9.652 195 HG22 THR 25 1HG2 THR 25 11.946 -2.220 8.239 196 HG23 THR 25 2HG2 THR 25 11.186 -3.234 9.472 197 H ASN 26 H ASN 26 11.538 -4.925 6.631 198 HA ASN 26 HA ASN 26 10.138 -7.237 7.719 199 HB2 ASN 26 1HB ASN 26 11.565 -7.442 5.737 200 HB3 ASN 26 2HB ASN 26 12.976 -6.946 6.650 201 HD21 ASN 26 2HD2 ASN 26 10.349 -9.128 7.738 202 HD22 ASN 26 1HD2 ASN 26 11.347 -10.478 7.956 203 H ARG 27 H ARG 27 10.134 -7.708 9.797 204 HA ARG 27 HA ARG 27 12.299 -6.727 11.609 205 HB2 ARG 27 1HB ARG 27 9.421 -7.545 12.165 206 HB3 ARG 27 2HB ARG 27 10.584 -7.003 13.380 207 HG2 ARG 27 1HG ARG 27 10.795 -4.820 12.197 208 HG3 ARG 27 2HG ARG 27 9.620 -5.361 10.995 209 HD2 ARG 27 1HD ARG 27 8.521 -3.954 12.690 210 HD3 ARG 27 2HD ARG 27 7.917 -5.611 12.798 211 HE ARG 27 HE ARG 27 10.150 -5.272 14.530 212 HH11 ARG 27 1HH2 ARG 27 6.792 -4.394 14.222 213 HH12 ARG 27 2HH2 ARG 27 6.548 -4.247 15.929 214 HH21 ARG 27 1HH1 ARG 27 9.814 -5.075 16.740 215 HH22 ARG 27 2HH1 ARG 27 8.255 -4.632 17.352 216 H GLY 28 H GLY 28 13.763 -8.387 11.380 217 HA2 GLY 28 1HA GLY 28 13.306 -10.754 12.934 218 HA3 GLY 28 2HA GLY 28 13.324 -11.109 11.207 219 H ALA 29 H ALA 29 15.223 -11.558 13.615 220 HA ALA 29 HA ALA 29 17.681 -10.200 12.920 221 HB1 ALA 29 3HB ALA 29 17.196 -10.984 15.217 222 HB2 ALA 29 1HB ALA 29 18.679 -11.714 14.598 223 HB3 ALA 29 2HB ALA 29 17.186 -12.654 14.652 224 H ALA 30 H ALA 30 16.047 -12.207 11.075 225 HA ALA 30 HA ALA 30 18.447 -13.365 9.794 226 HB1 ALA 30 3HB ALA 30 17.642 -15.122 11.352 227 HB2 ALA 30 1HB ALA 30 17.413 -15.606 9.670 228 HB3 ALA 30 2HB ALA 30 16.040 -15.038 10.622 229 H GLU 31 H GLU 31 17.918 -14.289 7.661 230 HA GLU 31 HA GLU 31 16.546 -12.445 6.042 231 HB2 GLU 31 1HB GLU 31 17.275 -15.343 5.459 232 HB3 GLU 31 2HB GLU 31 16.784 -14.167 4.237 233 HG2 GLU 31 1HG GLU 31 18.719 -12.732 4.835 234 HG3 GLU 31 2HG GLU 31 19.212 -13.898 6.059 235 H ALA 32 H ALA 32 14.426 -12.163 5.626 236 HA ALA 32 HA ALA 32 12.461 -14.246 6.464 237 HB1 ALA 32 3HB ALA 32 10.857 -12.417 6.576 238 HB2 ALA 32 1HB ALA 32 12.039 -11.293 5.896 239 HB3 ALA 32 2HB ALA 32 12.300 -11.984 7.496 240 H HIS 33 H HIS 33 10.740 -14.754 5.095 241 HA HIS 33 HA HIS 33 10.759 -13.806 2.312 242 HB2 HIS 33 1HB HIS 33 10.999 -16.754 3.050 243 HB3 HIS 33 2HB HIS 33 10.844 -16.092 1.420 244 HD1 HIS 33 HD1 HIS 33 13.325 -17.011 3.929 245 HD2 HIS 33 HD2 HIS 33 13.189 -14.324 0.736 246 HE1 HIS 33 HE1 HIS 33 15.721 -16.366 3.430 247 HE2 HIS 33 HE2 HIS 33 15.655 -14.731 1.490 248 H ASN 34 H ASN 34 8.970 -15.197 1.156 249 HA ASN 34 HA ASN 34 6.668 -15.273 0.919 250 HB2 ASN 34 1HB ASN 34 7.166 -17.429 2.057 251 HB3 ASN 34 2HB ASN 34 6.889 -16.660 3.617 252 HD21 ASN 34 2HD2 ASN 34 5.190 -17.090 0.458 253 HD22 ASN 34 1HD2 ASN 34 3.651 -17.284 1.147 254 H VAL 35 H VAL 35 7.077 -12.800 1.447 255 HA VAL 35 HA VAL 35 5.443 -11.948 3.805 256 HB VAL 35 HB VAL 35 7.350 -10.293 2.106 257 HG11 VAL 35 1HG1 VAL 35 7.167 -8.685 4.011 258 HG12 VAL 35 2HG1 VAL 35 5.975 -9.732 4.777 259 HG13 VAL 35 3HG1 VAL 35 5.602 -8.942 3.246 260 HG21 VAL 35 3HG2 VAL 35 7.748 -11.614 4.831 261 HG22 VAL 35 1HG2 VAL 35 8.875 -10.480 4.080 262 HG23 VAL 35 2HG2 VAL 35 8.580 -12.048 3.338 263 HA PRO 36 HA PRO 36 2.806 -11.003 0.077 264 HB2 PRO 36 1HB PRO 36 0.408 -11.914 0.905 265 HB3 PRO 36 2HB PRO 36 1.684 -13.071 0.439 266 HG2 PRO 36 1HG PRO 36 0.994 -12.091 3.226 267 HG3 PRO 36 2HG PRO 36 1.107 -13.773 2.642 268 HD2 PRO 36 1HD PRO 36 3.224 -12.602 3.884 269 HD3 PRO 36 2HD PRO 36 3.481 -13.715 2.520 270 H VAL 37 H VAL 37 1.135 -9.431 -0.199 271 HA VAL 37 HA VAL 37 0.473 -7.729 2.141 272 HB VAL 37 HB VAL 37 2.526 -6.794 1.086 273 HG11 VAL 37 1HG1 VAL 37 0.823 -6.390 -1.411 274 HG12 VAL 37 2HG1 VAL 37 2.111 -7.585 -1.250 275 HG13 VAL 37 3HG1 VAL 37 2.487 -5.865 -1.176 276 HG21 VAL 37 3HG2 VAL 37 0.857 -5.279 2.163 277 HG22 VAL 37 1HG2 VAL 37 0.057 -5.063 0.604 278 HG23 VAL 37 2HG2 VAL 37 1.704 -4.481 0.835 279 H ALA 38 H ALA 38 -1.471 -6.788 2.037 280 HA ALA 38 HA ALA 38 -3.121 -7.094 -0.439 281 HB1 ALA 38 3HB ALA 38 -5.021 -7.684 1.003 282 HB2 ALA 38 1HB ALA 38 -3.998 -7.575 2.444 283 HB3 ALA 38 2HB ALA 38 -3.704 -8.832 1.241 284 H VAL 39 H VAL 39 -4.006 -5.242 -1.057 285 HA VAL 39 HA VAL 39 -4.248 -2.984 0.879 286 HB VAL 39 HB VAL 39 -3.816 -2.819 -2.144 287 HG11 VAL 39 1HG1 VAL 39 -4.921 -0.838 -1.076 288 HG12 VAL 39 2HG1 VAL 39 -3.307 -0.455 -1.654 289 HG13 VAL 39 3HG1 VAL 39 -3.577 -0.724 0.061 290 HG21 VAL 39 3HG2 VAL 39 -1.818 -3.826 -1.085 291 HG22 VAL 39 1HG2 VAL 39 -1.794 -2.544 0.127 292 HG23 VAL 39 2HG2 VAL 39 -1.472 -2.169 -1.566 293 H TYR 40 H TYR 40 -6.100 -1.796 0.825 294 HA TYR 40 HA TYR 40 -8.248 -2.410 -1.075 295 HB2 TYR 40 1HB TYR 40 -9.852 -2.953 0.793 296 HB3 TYR 40 2HB TYR 40 -8.598 -4.173 0.568 297 HD1 TYR 40 HD1 TYR 40 -9.748 -1.390 2.765 298 HD2 TYR 40 HD2 TYR 40 -6.796 -4.496 2.240 299 HE1 TYR 40 HE1 TYR 40 -8.983 -1.071 5.093 300 HE2 TYR 40 HE2 TYR 40 -6.053 -4.171 4.577 301 HH TYR 40 HH TYR 40 -7.103 -3.239 6.742 302 H LEU 41 H LEU 41 -9.855 -0.843 -1.123 303 HA LEU 41 HA LEU 41 -9.080 1.758 0.083 304 HB2 LEU 41 1HB LEU 41 -9.538 1.431 -2.443 305 HB3 LEU 41 2HB LEU 41 -11.239 1.293 -2.021 306 HG LEU 41 HG LEU 41 -10.657 3.626 -0.640 307 HD11 LEU 41 1HD1 LEU 41 -9.121 5.039 -1.912 308 HD12 LEU 41 2HD1 LEU 41 -8.790 3.729 -3.049 309 HD13 LEU 41 3HD1 LEU 41 -8.280 3.593 -1.367 310 HD21 LEU 41 3HD2 LEU 41 -11.515 4.911 -2.618 311 HD22 LEU 41 1HD2 LEU 41 -12.469 3.469 -2.267 312 HD23 LEU 41 2HD2 LEU 41 -11.323 3.458 -3.594 313 H GLY 42 H GLY 42 -10.238 2.683 1.671 314 HA2 GLY 42 1HA GLY 42 -12.421 3.290 2.578 315 HA3 GLY 42 2HA GLY 42 -12.963 1.632 2.351 316 H ASN 43 H ASN 43 -13.477 1.433 4.527 317 HA ASN 43 HA ASN 43 -11.180 1.297 6.424 318 HB2 ASN 43 1HB ASN 43 -14.085 1.904 6.974 319 HB3 ASN 43 2HB ASN 43 -12.829 1.776 8.204 320 HD21 ASN 43 2HD2 ASN 43 -14.321 3.949 5.961 321 HD22 ASN 43 1HD2 ASN 43 -13.219 5.229 6.136 322 HA PRO 44 HA PRO 44 -11.898 -3.134 6.739 323 HB2 PRO 44 1HB PRO 44 -11.604 -2.702 9.738 324 HB3 PRO 44 2HB PRO 44 -10.850 -3.947 8.711 325 HG2 PRO 44 1HG PRO 44 -9.427 -1.843 9.506 326 HG3 PRO 44 2HG PRO 44 -9.270 -2.445 7.840 327 HD2 PRO 44 1HD PRO 44 -10.739 0.027 8.809 328 HD3 PRO 44 2HD PRO 44 -9.822 -0.242 7.307 329 H ALA 45 H ALA 45 -13.576 -1.012 9.042 330 HA ALA 45 HA ALA 45 -15.621 -2.810 9.846 331 HB1 ALA 45 3HB ALA 45 -16.801 -0.780 10.615 332 HB2 ALA 45 1HB ALA 45 -15.689 0.227 9.685 333 HB3 ALA 45 2HB ALA 45 -15.093 -0.712 11.050 334 H GLN 46 H GLN 46 -15.453 -0.428 7.215 335 HA GLN 46 HA GLN 46 -18.149 -0.880 6.276 336 HB2 GLN 46 1HB GLN 46 -15.735 0.402 4.935 337 HB3 GLN 46 2HB GLN 46 -17.378 0.441 4.288 338 HG2 GLN 46 1HG GLN 46 -18.163 1.627 6.318 339 HG3 GLN 46 2HG GLN 46 -16.535 1.578 6.989 340 HE21 GLN 46 2HE2 GLN 46 -18.326 3.914 6.044 341 HE22 GLN 46 1HE2 GLN 46 -17.318 4.794 5.000 342 H GLY 47 H GLY 47 -15.780 -3.030 6.429 343 HA2 GLY 47 1HA GLY 47 -15.370 -5.029 5.372 344 HA3 GLY 47 2HA GLY 47 -16.833 -4.762 4.429 345 H GLY 48 H GLY 48 -13.424 -3.792 4.675 346 HA2 GLY 48 1HA GLY 48 -13.163 -2.536 2.171 347 HA3 GLY 48 2HA GLY 48 -11.854 -3.280 3.079 348 H VAL 49 H VAL 49 -11.917 -3.382 0.295 349 HA VAL 49 HA VAL 49 -12.338 -6.296 -0.232 350 HB VAL 49 HB VAL 49 -14.102 -4.921 -1.320 351 HG11 VAL 49 1HG1 VAL 49 -13.594 -3.316 -3.079 352 HG12 VAL 49 2HG1 VAL 49 -11.869 -3.636 -2.958 353 HG13 VAL 49 3HG1 VAL 49 -12.709 -2.831 -1.632 354 HG21 VAL 49 3HG2 VAL 49 -12.123 -6.091 -3.332 355 HG22 VAL 49 1HG2 VAL 49 -13.852 -5.853 -3.589 356 HG23 VAL 49 2HG2 VAL 49 -13.292 -7.028 -2.402 357 H GLU 50 H GLU 50 -10.634 -7.327 -1.031 358 HA GLU 50 HA GLU 50 -8.091 -6.020 -1.228 359 HB2 GLU 50 1HB GLU 50 -8.399 -8.391 -0.503 360 HB3 GLU 50 2HB GLU 50 -8.866 -8.826 -2.145 361 HG2 GLU 50 1HG GLU 50 -6.639 -8.091 -2.975 362 HG3 GLU 50 2HG GLU 50 -6.184 -7.616 -1.343 363 H ILE 51 H ILE 51 -7.041 -5.250 -2.980 364 HA ILE 51 HA ILE 51 -8.462 -5.209 -5.600 365 HB ILE 51 HB ILE 51 -6.093 -3.536 -4.636 366 HG12 ILE 51 1HG1 ILE 51 -9.038 -2.734 -4.906 367 HG13 ILE 51 2HG1 ILE 51 -8.287 -3.154 -3.378 368 HG21 ILE 51 1HG2 ILE 51 -6.206 -3.720 -7.114 369 HG22 ILE 51 2HG2 ILE 51 -6.691 -2.113 -6.623 370 HG23 ILE 51 3HG2 ILE 51 -7.914 -3.290 -7.080 371 HD11 ILE 51 3HD1 ILE 51 -6.650 -1.307 -3.670 372 HD12 ILE 51 1HD1 ILE 51 -8.315 -0.728 -3.636 373 HD13 ILE 51 2HD1 ILE 51 -7.458 -0.850 -5.171 374 H GLY 52 H GLY 52 -5.440 -6.140 -4.053 375 HA2 GLY 52 1HA GLY 52 -4.849 -8.227 -5.813 376 HA3 GLY 52 2HA GLY 52 -3.987 -6.806 -6.406 377 H ARG 53 H ARG 53 -2.446 -8.837 -5.688 378 HA ARG 53 HA ARG 53 -0.980 -7.783 -3.393 379 HB2 ARG 53 1HB ARG 53 -0.879 -10.017 -2.260 380 HB3 ARG 53 2HB ARG 53 -2.509 -9.340 -2.261 381 HG2 ARG 53 1HG ARG 53 -3.114 -10.760 -4.197 382 HG3 ARG 53 2HG ARG 53 -1.486 -11.430 -4.235 383 HD2 ARG 53 1HD ARG 53 -1.804 -12.343 -1.944 384 HD3 ARG 53 2HD ARG 53 -3.441 -11.701 -1.930 385 HE ARG 53 HE ARG 53 -4.111 -13.455 -3.294 386 HH11 ARG 53 1HH2 ARG 53 -0.651 -13.134 -3.385 387 HH12 ARG 53 2HH2 ARG 53 -0.409 -14.568 -4.329 388 HH21 ARG 53 1HH1 ARG 53 -3.787 -15.320 -4.537 389 HH22 ARG 53 2HH1 ARG 53 -2.184 -15.800 -4.980 390 H ASP 54 H ASP 54 1.085 -8.959 -3.112 391 HA ASP 54 HA ASP 54 2.117 -10.564 -5.312 392 HB2 ASP 54 1HB ASP 54 2.997 -7.661 -4.989 393 HB3 ASP 54 2HB ASP 54 3.932 -8.852 -5.888 394 H THR 55 H THR 55 3.330 -11.995 -4.238 395 HA THR 55 HA THR 55 4.483 -11.430 -1.640 396 HB THR 55 HB THR 55 4.936 -13.863 -3.426 397 HG1 THR 55 HG1 THR 55 2.920 -13.146 -1.593 398 HG21 THR 55 3HG2 THR 55 6.550 -13.669 -1.537 399 HG22 THR 55 1HG2 THR 55 5.416 -14.991 -1.263 400 HG23 THR 55 2HG2 THR 55 5.205 -13.463 -0.414 401 H ILE 56 H ILE 56 6.543 -10.912 -1.156 402 HA ILE 56 HA ILE 56 8.430 -10.406 -3.413 403 HB ILE 56 HB ILE 56 8.567 -9.221 -0.602 404 HG12 ILE 56 1HG1 ILE 56 7.332 -7.928 -3.091 405 HG13 ILE 56 2HG1 ILE 56 6.396 -8.572 -1.746 406 HG21 ILE 56 1HG2 ILE 56 10.024 -7.520 -1.795 407 HG22 ILE 56 2HG2 ILE 56 9.846 -8.434 -3.282 408 HG23 ILE 56 3HG2 ILE 56 10.685 -9.147 -1.904 409 HD11 ILE 56 3HD1 ILE 56 8.388 -6.285 -1.584 410 HD12 ILE 56 1HD1 ILE 56 7.545 -6.987 -0.202 411 HD13 ILE 56 2HD1 ILE 56 6.636 -6.165 -1.469 412 H SER 57 H SER 57 10.475 -11.209 -3.358 413 HA SER 57 HA SER 57 11.063 -13.319 -1.316 414 HB2 SER 57 1HB SER 57 12.562 -14.251 -3.004 415 HB3 SER 57 2HB SER 57 10.963 -14.013 -3.705 416 HG SER 57 HG SER 57 11.706 -12.180 -4.722 417 H ARG 58 H ARG 58 12.758 -10.850 -3.274 418 HA ARG 58 HA ARG 58 15.134 -10.900 -1.718 419 HB2 ARG 58 1HB ARG 58 14.950 -10.017 -4.049 420 HB3 ARG 58 2HB ARG 58 14.081 -8.620 -3.424 421 HG2 ARG 58 1HG ARG 58 16.083 -8.055 -2.000 422 HG3 ARG 58 2HG ARG 58 16.937 -9.423 -2.704 423 HD2 ARG 58 1HD ARG 58 15.844 -7.049 -4.256 424 HD3 ARG 58 2HD ARG 58 17.535 -7.279 -3.819 425 HE ARG 58 HE ARG 58 16.139 -8.538 -5.992 426 HH11 ARG 58 1HH2 ARG 58 18.688 -8.996 -3.665 427 HH12 ARG 58 2HH2 ARG 58 19.512 -10.185 -4.618 428 HH21 ARG 58 1HH1 ARG 58 17.229 -10.075 -7.223 429 HH22 ARG 58 2HH1 ARG 58 18.687 -10.795 -6.625 430 H ILE 59 H ILE 59 14.103 -10.924 0.401 431 HA ILE 59 HA ILE 59 13.616 -8.175 1.482 432 HB ILE 59 HB ILE 59 12.383 -10.755 2.478 433 HG12 ILE 59 1HG1 ILE 59 11.352 -9.984 0.346 434 HG13 ILE 59 2HG1 ILE 59 10.236 -9.788 1.689 435 HG21 ILE 59 1HG2 ILE 59 11.029 -9.159 3.925 436 HG22 ILE 59 2HG2 ILE 59 12.132 -7.867 3.428 437 HG23 ILE 59 3HG2 ILE 59 12.730 -9.236 4.364 438 HD11 ILE 59 3HD1 ILE 59 11.621 -7.694 0.051 439 HD12 ILE 59 1HD1 ILE 59 11.302 -7.284 1.728 440 HD13 ILE 59 2HD1 ILE 59 9.981 -7.714 0.668 441 HA PRO 60 HA PRO 60 17.273 -10.008 3.664 442 HB2 PRO 60 1HB PRO 60 19.026 -7.943 3.469 443 HB3 PRO 60 2HB PRO 60 18.717 -9.015 2.080 444 HG2 PRO 60 1HG PRO 60 17.532 -6.295 2.647 445 HG3 PRO 60 2HG PRO 60 18.246 -6.904 1.135 446 HD2 PRO 60 1HD PRO 60 15.526 -6.887 1.581 447 HD3 PRO 60 2HD PRO 60 16.296 -8.122 0.557 448 H VAL 61 H VAL 61 18.358 -9.250 5.679 449 HA VAL 61 HA VAL 61 16.444 -8.250 7.546 450 HB VAL 61 HB VAL 61 18.362 -8.419 9.154 451 HG11 VAL 61 1HG1 VAL 61 18.036 -10.791 7.277 452 HG12 VAL 61 2HG1 VAL 61 16.988 -10.399 8.640 453 HG13 VAL 61 3HG1 VAL 61 18.657 -10.876 8.927 454 HG21 VAL 61 3HG2 VAL 61 20.221 -7.748 7.659 455 HG22 VAL 61 1HG2 VAL 61 19.963 -9.189 6.677 456 HG23 VAL 61 2HG2 VAL 61 20.530 -9.339 8.337 457 H GLY 62 H GLY 62 16.205 -6.258 8.440 458 HA2 GLY 62 1HA GLY 62 16.465 -4.022 8.829 459 HA3 GLY 62 2HA GLY 62 18.139 -4.149 8.290 460 H GLY 63 H GLY 63 15.865 -5.423 6.087 461 HA2 GLY 63 1HA GLY 63 16.124 -3.073 4.280 462 HA3 GLY 63 2HA GLY 63 15.874 -4.748 3.802 463 H THR 64 H THR 64 14.144 -3.615 2.541 464 HA THR 64 HA THR 64 11.595 -3.793 3.998 465 HB THR 64 HB THR 64 10.758 -1.689 3.062 466 HG1 THR 64 HG1 THR 64 11.685 -0.882 1.389 467 HG21 THR 64 3HG2 THR 64 12.178 -1.578 5.186 468 HG22 THR 64 1HG2 THR 64 12.134 -0.079 4.254 469 HG23 THR 64 2HG2 THR 64 13.541 -1.130 4.158 470 H GLY 65 H GLY 65 9.830 -3.229 2.142 471 HA2 GLY 65 1HA GLY 65 10.512 -4.695 -0.357 472 HA3 GLY 65 2HA GLY 65 9.202 -5.294 0.651 473 H LEU 66 H LEU 66 9.194 -4.218 -2.090 474 HA LEU 66 HA LEU 66 7.013 -2.258 -1.726 475 HB2 LEU 66 1HB LEU 66 9.543 -1.839 -3.322 476 HB3 LEU 66 2HB LEU 66 8.064 -1.116 -3.941 477 HG LEU 66 HG LEU 66 9.004 -0.617 -1.062 478 HD11 LEU 66 1HD1 LEU 66 9.614 1.059 -3.531 479 HD12 LEU 66 2HD1 LEU 66 10.796 0.146 -2.587 480 HD13 LEU 66 3HD1 LEU 66 9.971 1.524 -1.864 481 HD21 LEU 66 3HD2 LEU 66 7.135 0.936 -2.930 482 HD22 LEU 66 1HD2 LEU 66 7.575 1.438 -1.299 483 HD23 LEU 66 2HD2 LEU 66 6.622 -0.011 -1.539 484 H ALA 67 H ALA 67 5.292 -2.851 -2.715 485 HA ALA 67 HA ALA 67 5.371 -4.823 -4.933 486 HB1 ALA 67 3HB ALA 67 3.215 -4.101 -2.915 487 HB2 ALA 67 1HB ALA 67 4.180 -5.577 -2.929 488 HB3 ALA 67 2HB ALA 67 3.020 -5.273 -4.223 489 H ARG 68 H ARG 68 3.770 -4.550 -6.583 490 HA ARG 68 HA ARG 68 2.973 -1.703 -7.072 491 HB2 ARG 68 1HB ARG 68 4.980 -2.502 -8.445 492 HB3 ARG 68 2HB ARG 68 3.904 -3.650 -9.237 493 HG2 ARG 68 1HG ARG 68 2.444 -1.731 -9.947 494 HG3 ARG 68 2HG ARG 68 3.583 -0.609 -9.213 495 HD2 ARG 68 1HD ARG 68 4.234 -2.542 -11.468 496 HD3 ARG 68 2HD ARG 68 3.949 -0.815 -11.667 497 HE ARG 68 HE ARG 68 6.375 -2.063 -10.750 498 HH11 ARG 68 1HH2 ARG 68 4.419 0.798 -10.488 499 HH12 ARG 68 2HH2 ARG 68 5.727 1.801 -9.955 500 HH21 ARG 68 1HH1 ARG 68 8.075 -0.745 -10.071 501 HH22 ARG 68 2HH1 ARG 68 7.794 0.928 -9.723 502 H VAL 69 H VAL 69 0.879 -1.489 -7.248 503 HA VAL 69 HA VAL 69 -0.774 -3.612 -8.511 504 HB VAL 69 HB VAL 69 -1.507 -2.187 -5.905 505 HG11 VAL 69 1HG1 VAL 69 -3.479 -2.766 -7.292 506 HG12 VAL 69 2HG1 VAL 69 -3.398 -3.818 -5.883 507 HG13 VAL 69 3HG1 VAL 69 -2.885 -4.419 -7.460 508 HG21 VAL 69 3HG2 VAL 69 -1.239 -4.463 -4.877 509 HG22 VAL 69 1HG2 VAL 69 0.284 -3.817 -5.484 510 HG23 VAL 69 2HG2 VAL 69 -0.578 -5.050 -6.404 511 H GLN 70 H GLN 70 -2.224 -2.850 -9.875 512 HA GLN 70 HA GLN 70 -2.424 0.095 -10.275 513 HB2 GLN 70 1HB GLN 70 -3.292 -2.185 -12.107 514 HB3 GLN 70 2HB GLN 70 -3.293 -0.463 -12.492 515 HG2 GLN 70 1HG GLN 70 -1.275 -1.354 -13.473 516 HG3 GLN 70 2HG GLN 70 -0.754 -0.469 -12.042 517 HE21 GLN 70 2HE2 GLN 70 0.475 -1.652 -10.529 518 HE22 GLN 70 1HE2 GLN 70 0.673 -3.338 -10.565 519 H TRP 71 H TRP 71 -4.339 1.171 -10.088 520 HA TRP 71 HA TRP 71 -6.856 -0.323 -9.727 521 HB2 TRP 71 1HB TRP 71 -5.906 0.048 -7.431 522 HB3 TRP 71 2HB TRP 71 -5.884 1.777 -7.732 523 HD1 TRP 71 HD1 TRP 71 -8.504 -1.080 -7.969 524 HE1 TRP 71 HE1 TRP 71 -10.773 -0.166 -7.181 525 HE3 TRP 71 HE3 TRP 71 -7.182 3.725 -6.906 526 HZ2 TRP 71 HZ2 TRP 71 -11.892 2.301 -6.248 527 HZ3 TRP 71 HZ3 TRP 71 -8.860 5.346 -6.082 528 HH2 TRP 71 HH2 TRP 71 -11.213 4.643 -5.751 529 H LYS 72 H LYS 72 -8.628 0.758 -10.376 530 HA LYS 72 HA LYS 72 -8.244 3.410 -11.706 531 HB2 LYS 72 1HB LYS 72 -8.722 1.483 -13.225 532 HB3 LYS 72 2HB LYS 72 -10.250 1.227 -12.386 533 HG2 LYS 72 1HG LYS 72 -11.045 3.469 -13.062 534 HG3 LYS 72 2HG LYS 72 -9.477 3.842 -13.775 535 HD2 LYS 72 1HD LYS 72 -11.045 3.224 -15.549 536 HD3 LYS 72 2HD LYS 72 -9.790 1.994 -15.419 537 HE2 LYS 72 1HE LYS 72 -12.385 1.584 -13.885 538 HE3 LYS 72 2HE LYS 72 -12.338 1.240 -15.613 539 HZ1 LYS 72 3HZ LYS 72 -11.270 -0.268 -13.470 540 HZ2 LYS 72 1HZ LYS 72 -10.046 0.123 -14.578 541 HZ3 LYS 72 2HZ LYS 72 -11.440 -0.690 -15.106 542 H ALA 73 H ALA 73 -9.354 5.053 -10.915 543 HA ALA 73 HA ALA 73 -11.117 4.750 -8.659 544 HB1 ALA 73 3HB ALA 73 -11.418 7.202 -8.866 545 HB2 ALA 73 1HB ALA 73 -10.576 7.171 -10.415 546 HB3 ALA 73 2HB ALA 73 -9.714 6.752 -8.940 547 H THR 74 H THR 74 -13.171 4.084 -8.787 548 HA THR 74 HA THR 74 -14.745 4.478 -11.298 549 HB THR 74 HB THR 74 -16.124 2.647 -10.537 550 HG1 THR 74 HG1 THR 74 -14.621 2.828 -8.139 551 HG21 THR 74 3HG2 THR 74 -14.512 0.816 -10.426 552 HG22 THR 74 1HG2 THR 74 -13.254 1.908 -9.854 553 HG23 THR 74 2HG2 THR 74 -13.854 2.045 -11.508 554 H ARG 75 H ARG 75 -16.132 6.113 -11.272 555 HA ARG 75 HA ARG 75 -18.033 6.539 -9.182 556 HB2 ARG 75 1HB ARG 75 -16.050 7.562 -8.073 557 HB3 ARG 75 2HB ARG 75 -15.844 8.652 -9.435 558 HG2 ARG 75 1HG ARG 75 -18.003 9.712 -8.981 559 HG3 ARG 75 2HG ARG 75 -18.374 8.529 -7.725 560 HD2 ARG 75 1HD ARG 75 -16.068 10.511 -7.635 561 HD3 ARG 75 2HD ARG 75 -17.593 10.693 -6.772 562 HE ARG 75 HE ARG 75 -16.529 8.190 -6.083 563 HH11 ARG 75 1HH2 ARG 75 -15.713 11.559 -5.733 564 HH12 ARG 75 2HH2 ARG 75 -14.907 11.332 -4.218 565 HH21 ARG 75 1HH1 ARG 75 -15.474 7.921 -4.109 566 HH22 ARG 75 2HH1 ARG 75 -14.787 9.285 -3.297 567 H LYS 76 H LYS 76 -19.761 7.009 -10.381 568 HA LYS 76 HA LYS 76 -19.589 9.067 -12.548 569 HB2 LYS 76 1HB LYS 76 -21.065 6.399 -12.707 570 HB3 LYS 76 2HB LYS 76 -21.133 7.689 -13.915 571 HG2 LYS 76 1HG LYS 76 -18.677 7.508 -14.234 572 HG3 LYS 76 2HG LYS 76 -18.632 6.194 -13.058 573 HD2 LYS 76 1HD LYS 76 -20.156 4.854 -14.520 574 HD3 LYS 76 2HD LYS 76 -20.138 6.160 -15.707 575 HE2 LYS 76 1HE LYS 76 -17.712 4.575 -14.768 576 HE3 LYS 76 2HE LYS 76 -18.503 4.419 -16.337 577 HZ1 LYS 76 3HZ LYS 76 -18.017 7.075 -16.161 578 HZ2 LYS 76 1HZ LYS 76 -17.045 5.959 -16.989 579 HZ3 LYS 76 2HZ LYS 76 -16.649 6.411 -15.401 580 H LEU 77 H LEU 77 -20.490 10.612 -11.248 581 HA LEU 77 HA LEU 77 -23.228 10.145 -10.198 582 HB2 LEU 77 1HB LEU 77 -21.332 12.465 -9.617 583 HB3 LEU 77 2HB LEU 77 -22.835 12.086 -8.773 584 HG LEU 77 HG LEU 77 -20.322 10.369 -8.787 585 HD11 LEU 77 1HD1 LEU 77 -21.573 12.017 -6.561 586 HD12 LEU 77 2HD1 LEU 77 -20.093 12.430 -7.431 587 HD13 LEU 77 3HD1 LEU 77 -20.140 10.999 -6.403 588 HD21 LEU 77 3HD2 LEU 77 -22.121 8.820 -8.544 589 HD22 LEU 77 1HD2 LEU 77 -23.053 9.917 -7.523 590 HD23 LEU 77 2HD2 LEU 77 -21.604 9.126 -6.896 591 H ALA 78 H ALA 78 -23.980 12.832 -10.096 592 HA ALA 78 HA ALA 78 -23.830 14.046 -12.719 593 HB1 ALA 78 3HB ALA 78 -25.385 12.176 -13.197 594 HB2 ALA 78 1HB ALA 78 -26.204 13.734 -13.319 595 HB3 ALA 78 2HB ALA 78 -26.441 12.719 -11.894 596 H GLY 79 H GLY 79 -23.078 15.446 -10.798 597 HA2 GLY 79 1HA GLY 79 -24.825 17.619 -10.529 598 HA3 GLY 79 2HA GLY 79 -24.935 16.669 -9.047 599 H ARG 80 H ARG 80 -24.052 18.555 -7.985 600 HA ARG 80 HA ARG 80 -21.490 19.644 -8.550 601 HB2 ARG 80 1HB ARG 80 -21.645 20.570 -6.229 602 HB3 ARG 80 2HB ARG 80 -23.105 20.857 -7.175 603 HG2 ARG 80 1HG ARG 80 -24.208 18.915 -6.095 604 HG3 ARG 80 2HG ARG 80 -22.757 18.606 -5.146 605 HD2 ARG 80 1HD ARG 80 -24.384 21.171 -5.032 606 HD3 ARG 80 2HD ARG 80 -24.465 19.871 -3.845 607 HE ARG 80 HE ARG 80 -22.418 21.885 -4.047 608 HH11 ARG 80 1HH2 ARG 80 -23.028 18.585 -3.112 609 HH12 ARG 80 2HH2 ARG 80 -21.675 18.510 -2.034 610 HH21 ARG 80 1HH1 ARG 80 -20.662 21.768 -2.635 611 HH22 ARG 80 2HH1 ARG 80 -20.339 20.306 -1.766 612 H ALA 81 H ALA 81 -19.693 19.541 -6.828 613 HA ALA 81 HA ALA 81 -19.310 17.094 -5.362 614 HB1 ALA 81 3HB ALA 81 -18.963 16.229 -7.656 615 HB2 ALA 81 1HB ALA 81 -17.464 16.182 -6.728 616 HB3 ALA 81 2HB ALA 81 -17.722 17.445 -7.934 617 H ALA 82 H ALA 82 -18.005 17.588 -3.718 618 HA ALA 82 HA ALA 82 -15.566 19.094 -3.969 619 HB1 ALA 82 3HB ALA 82 -17.903 20.452 -2.568 620 HB2 ALA 82 1HB ALA 82 -17.175 20.977 -4.085 621 HB3 ALA 82 2HB ALA 82 -16.237 21.041 -2.593 622 H ASN 83 H ASN 83 -16.955 16.636 -2.755 623 HA ASN 83 HA ASN 83 -15.427 16.622 -0.245 624 HB2 ASN 83 1HB ASN 83 -18.427 16.134 -0.313 625 HB3 ASN 83 2HB ASN 83 -17.381 15.890 1.082 626 HD21 ASN 83 2HD2 ASN 83 -16.106 17.983 1.753 627 HD22 ASN 83 1HD2 ASN 83 -16.959 19.446 1.635 628 HA PRO 84 HA PRO 84 -15.893 12.621 -2.776 629 HB2 PRO 84 1HB PRO 84 -13.218 12.316 -3.496 630 HB3 PRO 84 2HB PRO 84 -14.390 13.218 -4.483 631 HG2 PRO 84 1HG PRO 84 -12.409 14.306 -2.483 632 HG3 PRO 84 2HG PRO 84 -12.754 14.873 -4.129 633 HD2 PRO 84 1HD PRO 84 -13.858 16.126 -2.000 634 HD3 PRO 84 2HD PRO 84 -14.804 15.902 -3.487 635 H GLY 85 H GLY 85 -12.787 13.221 -1.111 636 HA2 GLY 85 1HA GLY 85 -11.790 12.184 0.693 637 HA3 GLY 85 2HA GLY 85 -13.410 11.789 1.266 638 H VAL 86 H VAL 86 -10.823 10.769 -0.916 639 HA VAL 86 HA VAL 86 -11.766 7.926 -0.764 640 HB VAL 86 HB VAL 86 -10.610 7.693 -3.024 641 HG11 VAL 86 1HG1 VAL 86 -13.079 7.845 -2.841 642 HG12 VAL 86 2HG1 VAL 86 -12.512 8.648 -4.303 643 HG13 VAL 86 3HG1 VAL 86 -12.979 9.606 -2.895 644 HG21 VAL 86 3HG2 VAL 86 -10.237 9.748 -4.348 645 HG22 VAL 86 1HG2 VAL 86 -9.251 9.807 -2.895 646 HG23 VAL 86 2HG2 VAL 86 -10.729 10.751 -2.986 647 HA PRO 87 HA PRO 87 -7.432 8.513 1.026 648 HB2 PRO 87 1HB PRO 87 -7.896 7.334 3.483 649 HB3 PRO 87 2HB PRO 87 -8.246 9.056 3.182 650 HG2 PRO 87 1HG PRO 87 -10.156 6.713 2.959 651 HG3 PRO 87 2HG PRO 87 -10.349 8.200 3.921 652 HD2 PRO 87 1HD PRO 87 -11.516 8.078 1.541 653 HD3 PRO 87 2HD PRO 87 -10.626 9.561 1.954 654 H VAL 88 H VAL 88 -5.977 6.748 1.680 655 HA VAL 88 HA VAL 88 -6.791 4.067 0.598 656 HB VAL 88 HB VAL 88 -4.418 3.848 -0.143 657 HG11 VAL 88 1HG1 VAL 88 -6.119 4.669 -1.740 658 HG12 VAL 88 2HG1 VAL 88 -4.571 5.440 -2.051 659 HG13 VAL 88 3HG1 VAL 88 -5.843 6.327 -1.211 660 HG21 VAL 88 3HG2 VAL 88 -3.332 5.403 1.447 661 HG22 VAL 88 1HG2 VAL 88 -4.209 6.768 0.749 662 HG23 VAL 88 2HG2 VAL 88 -3.000 5.915 -0.201 663 H TYR 89 H TYR 89 -5.697 2.263 1.503 664 HA TYR 89 HA TYR 89 -4.253 2.577 4.034 665 HB2 TYR 89 1HB TYR 89 -6.997 1.247 3.879 666 HB3 TYR 89 2HB TYR 89 -5.889 1.037 5.235 667 HD1 TYR 89 HD1 TYR 89 -5.139 3.073 6.583 668 HD2 TYR 89 HD2 TYR 89 -8.358 3.297 3.718 669 HE1 TYR 89 HE1 TYR 89 -5.903 5.207 7.591 670 HE2 TYR 89 HE2 TYR 89 -9.106 5.418 4.751 671 HH TYR 89 HH TYR 89 -8.184 6.482 7.710 672 H ALA 90 H ALA 90 -3.085 0.801 4.585 673 HA ALA 90 HA ALA 90 -3.243 -1.652 2.908 674 HB1 ALA 90 3HB ALA 90 -0.720 -0.009 3.369 675 HB2 ALA 90 1HB ALA 90 -1.592 -0.140 1.842 676 HB3 ALA 90 2HB ALA 90 -0.807 -1.563 2.532 677 H VAL 91 H VAL 91 -2.608 -3.472 3.943 678 HA VAL 91 HA VAL 91 -1.600 -3.270 6.749 679 HB VAL 91 HB VAL 91 -3.828 -5.118 5.777 680 HG11 VAL 91 1HG1 VAL 91 -4.023 -5.666 8.229 681 HG12 VAL 91 2HG1 VAL 91 -2.587 -4.694 8.539 682 HG13 VAL 91 3HG1 VAL 91 -2.465 -6.161 7.571 683 HG21 VAL 91 3HG2 VAL 91 -4.590 -2.764 5.983 684 HG22 VAL 91 1HG2 VAL 91 -3.909 -2.676 7.609 685 HG23 VAL 91 2HG2 VAL 91 -5.267 -3.749 7.280 686 H VAL 92 H VAL 92 -0.098 -4.695 7.296 687 HA VAL 92 HA VAL 92 1.024 -6.406 5.181 688 HB VAL 92 HB VAL 92 2.172 -5.836 7.963 689 HG11 VAL 92 1HG1 VAL 92 3.141 -7.764 6.684 690 HG12 VAL 92 2HG1 VAL 92 4.297 -6.464 6.874 691 HG13 VAL 92 3HG1 VAL 92 3.469 -6.688 5.333 692 HG21 VAL 92 3HG2 VAL 92 3.513 -4.048 6.853 693 HG22 VAL 92 1HG2 VAL 92 1.793 -3.673 6.814 694 HG23 VAL 92 2HG2 VAL 92 2.597 -4.286 5.366 695 H ASP 93 H ASP 93 0.972 -8.588 5.265 696 HA ASP 93 HA ASP 93 -0.111 -9.960 7.710 697 HB2 ASP 93 1HB ASP 93 -0.642 -10.599 4.794 698 HB3 ASP 93 2HB ASP 93 -1.261 -11.498 6.179 699 HA PRO 94 HA PRO 94 4.105 -11.648 6.582 700 HB2 PRO 94 1HB PRO 94 4.149 -12.059 9.590 701 HB3 PRO 94 2HB PRO 94 5.433 -11.419 8.534 702 HG2 PRO 94 1HG PRO 94 4.073 -9.743 10.076 703 HG3 PRO 94 2HG PRO 94 4.406 -9.294 8.384 704 HD2 PRO 94 1HD PRO 94 1.833 -10.456 9.527 705 HD3 PRO 94 2HD PRO 94 2.044 -9.044 8.473 706 H ASP 95 H ASP 95 5.044 -13.853 7.403 707 HA ASP 95 HA ASP 95 3.179 -15.900 6.769 708 HB2 ASP 95 1HB ASP 95 5.624 -16.057 6.347 709 HB3 ASP 95 2HB ASP 95 5.920 -16.126 8.081 710 H ASN 96 H ASN 96 4.522 -14.719 9.831 711 HA ASN 96 HA ASN 96 2.693 -16.492 11.393 712 HB2 ASN 96 1HB ASN 96 5.250 -15.067 12.224 713 HB3 ASN 96 2HB ASN 96 4.279 -16.132 13.243 714 HD21 ASN 96 2HD2 ASN 96 4.066 -18.454 12.427 715 HD22 ASN 96 1HD2 ASN 96 5.368 -19.115 11.560 716 H ARG 97 H ARG 97 1.134 -14.707 10.556 717 HA ARG 97 HA ARG 97 1.178 -12.117 11.733 718 HB2 ARG 97 1HB ARG 97 -1.379 -12.232 11.214 719 HB3 ARG 97 2HB ARG 97 -0.273 -12.353 9.850 720 HG2 ARG 97 1HG ARG 97 -0.504 -14.792 9.792 721 HG3 ARG 97 2HG ARG 97 -1.493 -14.782 11.239 722 HD2 ARG 97 1HD ARG 97 -3.225 -13.480 10.062 723 HD3 ARG 97 2HD ARG 97 -2.233 -13.466 8.604 724 HE ARG 97 HE ARG 97 -3.859 -15.652 9.561 725 HH11 ARG 97 1HH2 ARG 97 -0.971 -14.850 7.793 726 HH12 ARG 97 2HH2 ARG 97 -0.923 -16.352 6.932 727 HH21 ARG 97 1HH1 ARG 97 -3.776 -17.622 8.427 728 HH22 ARG 97 2HH1 ARG 97 -2.502 -17.913 7.291 729 H VAL 98 H VAL 98 1.536 -12.122 13.927 730 HA VAL 98 HA VAL 98 -0.603 -13.259 15.675 731 HB VAL 98 HB VAL 98 2.397 -13.334 16.229 732 HG11 VAL 98 1HG1 VAL 98 1.222 -13.074 18.349 733 HG12 VAL 98 2HG1 VAL 98 1.627 -14.778 18.213 734 HG13 VAL 98 3HG1 VAL 98 -0.016 -14.238 17.877 735 HG21 VAL 98 3HG2 VAL 98 2.104 -15.810 16.066 736 HG22 VAL 98 1HG2 VAL 98 1.723 -15.016 14.542 737 HG23 VAL 98 2HG2 VAL 98 0.421 -15.573 15.594 738 H ALA 99 H ALA 99 -0.785 -12.210 17.722 739 HA ALA 99 HA ALA 99 -1.157 -10.366 18.990 740 HB1 ALA 99 3HB ALA 99 1.540 -9.485 17.904 741 HB2 ALA 99 1HB ALA 99 1.285 -10.481 19.328 742 HB3 ALA 99 2HB ALA 99 0.730 -8.808 19.309 743 H GLU 100 H GLU 100 -2.859 -9.235 18.280 744 HA GLU 100 HA GLU 100 -2.982 -7.937 15.709 745 HB2 GLU 100 1HB GLU 100 -4.977 -8.840 16.905 746 HB3 GLU 100 2HB GLU 100 -4.814 -7.573 18.119 747 HG2 GLU 100 1HG GLU 100 -5.143 -5.841 16.359 748 HG3 GLU 100 2HG GLU 100 -5.272 -7.106 15.141 749 H SER 101 H SER 101 -3.225 -6.535 18.977 750 HA SER 101 HA SER 101 -3.003 -3.866 18.461 751 HB2 SER 101 1HB SER 101 -2.012 -3.614 20.682 752 HB3 SER 101 2HB SER 101 -3.183 -4.934 20.725 753 HG SER 101 HG SER 101 -1.454 -5.860 21.596 754 H ASP 102 H ASP 102 -0.376 -6.220 18.299 755 HA ASP 102 HA ASP 102 1.792 -4.389 18.005 756 HB2 ASP 102 1HB ASP 102 2.046 -6.812 18.587 757 HB3 ASP 102 2HB ASP 102 1.540 -7.240 16.956 758 H LYS 103 H LYS 103 0.228 -6.448 15.515 759 HA LYS 103 HA LYS 103 1.334 -5.423 13.220 760 HB2 LYS 103 1HB LYS 103 -0.329 -7.293 13.310 761 HB3 LYS 103 2HB LYS 103 -1.610 -6.109 13.543 762 HG2 LYS 103 1HG LYS 103 -1.099 -5.101 11.326 763 HG3 LYS 103 2HG LYS 103 0.250 -6.211 11.129 764 HD2 LYS 103 1HD LYS 103 -1.607 -7.073 9.834 765 HD3 LYS 103 2HD LYS 103 -1.384 -8.141 11.212 766 HE2 LYS 103 1HE LYS 103 -3.816 -7.525 10.670 767 HE3 LYS 103 2HE LYS 103 -3.343 -7.213 12.331 768 HZ1 LYS 103 3HZ LYS 103 -4.561 -5.418 10.876 769 HZ2 LYS 103 1HZ LYS 103 -2.981 -5.061 10.377 770 HZ3 LYS 103 2HZ LYS 103 -3.390 -4.973 12.022 771 H ALA 104 H ALA 104 -1.375 -4.009 15.031 772 HA ALA 104 HA ALA 104 -2.048 -1.883 13.320 773 HB1 ALA 104 3HB ALA 104 -2.989 -0.782 15.306 774 HB2 ALA 104 1HB ALA 104 -2.063 -1.852 16.361 775 HB3 ALA 104 2HB ALA 104 -3.345 -2.509 15.348 776 H ASN 105 H ASN 105 0.954 -2.439 14.530 777 HA ASN 105 HA ASN 105 1.752 0.390 14.933 778 HB2 ASN 105 1HB ASN 105 3.442 -2.135 15.190 779 HB3 ASN 105 2HB ASN 105 3.921 -0.501 15.633 780 HD21 ASN 105 2HD2 ASN 105 1.029 -0.046 16.686 781 HD22 ASN 105 1HD2 ASN 105 1.046 -0.806 18.204 782 H ASN 106 H ASN 106 0.857 -0.585 12.320 783 HA ASN 106 HA ASN 106 3.060 0.422 10.709 784 HB2 ASN 106 1HB ASN 106 2.058 -2.439 10.393 785 HB3 ASN 106 2HB ASN 106 3.066 -1.609 9.211 786 HD21 ASN 106 2HD2 ASN 106 5.121 -0.501 10.503 787 HD22 ASN 106 1HD2 ASN 106 5.940 -1.608 11.497 788 H VAL 107 H VAL 107 0.583 1.536 11.201 789 HA VAL 107 HA VAL 107 -1.118 0.940 8.833 790 HB VAL 107 HB VAL 107 -1.653 2.868 11.143 791 HG11 VAL 107 1HG1 VAL 107 -2.979 3.329 9.086 792 HG12 VAL 107 2HG1 VAL 107 -4.011 2.680 10.353 793 HG13 VAL 107 3HG1 VAL 107 -3.486 1.640 9.029 794 HG21 VAL 107 3HG2 VAL 107 -2.558 -0.020 10.743 795 HG22 VAL 107 1HG2 VAL 107 -3.109 1.053 12.031 796 HG23 VAL 107 2HG2 VAL 107 -1.427 0.541 11.976 797 H PHE 108 H PHE 108 -0.249 1.883 7.078 798 HA PHE 108 HA PHE 108 0.642 4.735 7.198 799 HB2 PHE 108 1HB PHE 108 1.255 2.577 5.146 800 HB3 PHE 108 2HB PHE 108 1.922 4.206 5.182 801 HD1 PHE 108 HD2 PHE 108 3.129 4.950 7.405 802 HD2 PHE 108 HD1 PHE 108 2.473 0.824 6.329 803 HE1 PHE 108 HE2 PHE 108 4.937 4.252 8.948 804 HE2 PHE 108 HE1 PHE 108 4.276 0.142 7.883 805 HZ PHE 108 HZ PHE 108 5.510 1.852 9.189 806 H SER 109 H SER 109 -0.501 6.209 6.125 807 HA SER 109 HA SER 109 -2.086 5.641 3.765 808 HB2 SER 109 1HB SER 109 -3.707 4.833 5.353 809 HB3 SER 109 2HB SER 109 -3.405 6.181 6.441 810 HG SER 109 HG SER 109 -4.425 7.535 5.057 811 H ARG 110 H ARG 110 -2.567 7.487 2.657 812 HA ARG 110 HA ARG 110 -1.946 10.127 3.914 813 HB2 ARG 110 1HB ARG 110 0.005 9.316 2.575 814 HB3 ARG 110 2HB ARG 110 -1.025 9.232 1.149 815 HG2 ARG 110 1HG ARG 110 -1.481 11.692 1.355 816 HG3 ARG 110 2HG ARG 110 -0.435 11.751 2.768 817 HD2 ARG 110 1HD ARG 110 1.466 10.955 1.349 818 HD3 ARG 110 2HD ARG 110 0.396 11.011 -0.058 819 HE ARG 110 HE ARG 110 0.415 13.513 1.351 820 HH11 ARG 110 1HH2 ARG 110 2.307 11.559 -0.823 821 HH12 ARG 110 2HH2 ARG 110 3.109 12.914 -1.543 822 HH21 ARG 110 1HH1 ARG 110 1.481 15.266 0.411 823 HH22 ARG 110 2HH1 ARG 110 2.643 15.004 -0.846 824 H ILE 111 H ILE 111 -3.416 11.621 3.533 825 HA ILE 111 HA ILE 111 -5.770 10.997 1.929 826 HB ILE 111 HB ILE 111 -4.984 13.346 3.721 827 HG12 ILE 111 1HG1 ILE 111 -6.902 12.561 5.093 828 HG13 ILE 111 2HG1 ILE 111 -7.258 11.310 3.908 829 HG21 ILE 111 1HG2 ILE 111 -7.456 13.094 1.937 830 HG22 ILE 111 2HG2 ILE 111 -6.311 14.435 1.985 831 HG23 ILE 111 3HG2 ILE 111 -7.406 14.169 3.336 832 HD11 ILE 111 3HD1 ILE 111 -5.362 10.049 4.481 833 HD12 ILE 111 1HD1 ILE 111 -5.916 10.663 6.034 834 HD13 ILE 111 2HD1 ILE 111 -4.536 11.418 5.238 835 H VAL 112 H VAL 112 -6.266 11.810 -0.016 836 HA VAL 112 HA VAL 112 -4.593 13.937 -1.252 837 HB VAL 112 HB VAL 112 -4.492 12.560 -3.378 838 HG11 VAL 112 1HG1 VAL 112 -2.541 12.696 -1.829 839 HG12 VAL 112 2HG1 VAL 112 -2.610 11.148 -2.654 840 HG13 VAL 112 3HG1 VAL 112 -3.124 11.268 -0.974 841 HG21 VAL 112 3HG2 VAL 112 -6.347 10.985 -2.856 842 HG22 VAL 112 1HG2 VAL 112 -5.394 10.294 -1.541 843 HG23 VAL 112 2HG2 VAL 112 -4.859 10.110 -3.213 844 H LYS 113 H LYS 113 -5.632 15.214 -2.659 845 HA LYS 113 HA LYS 113 -8.550 14.751 -3.089 846 HB2 LYS 113 1HB LYS 113 -8.106 16.535 -1.421 847 HB3 LYS 113 2HB LYS 113 -7.136 17.400 -2.612 848 HG2 LYS 113 1HG LYS 113 -9.087 17.737 -4.058 849 HG3 LYS 113 2HG LYS 113 -10.073 16.664 -3.065 850 HD2 LYS 113 1HD LYS 113 -10.617 19.028 -2.603 851 HD3 LYS 113 2HD LYS 113 -9.943 18.256 -1.171 852 HE2 LYS 113 1HE LYS 113 -7.845 19.410 -1.424 853 HE3 LYS 113 2HE LYS 113 -8.207 19.865 -3.095 854 HZ1 LYS 113 3HZ LYS 113 -10.020 21.249 -2.278 855 HZ2 LYS 113 1HZ LYS 113 -8.538 21.721 -1.602 856 HZ3 LYS 113 2HZ LYS 113 -9.645 20.827 -0.676 857 H VAL 114 H VAL 114 -9.380 15.208 -5.039 858 HA VAL 114 HA VAL 114 -7.498 15.902 -7.255 859 HB VAL 114 HB VAL 114 -8.100 13.493 -7.178 860 HG11 VAL 114 1HG1 VAL 114 -10.974 14.385 -7.674 861 HG12 VAL 114 2HG1 VAL 114 -10.370 13.741 -6.148 862 HG13 VAL 114 3HG1 VAL 114 -10.380 12.727 -7.589 863 HG21 VAL 114 3HG2 VAL 114 -9.388 14.943 -9.538 864 HG22 VAL 114 1HG2 VAL 114 -8.788 13.285 -9.525 865 HG23 VAL 114 2HG2 VAL 114 -7.660 14.626 -9.368 866 H LEU 115 H LEU 115 -8.149 17.393 -8.669 867 HA LEU 115 HA LEU 115 -10.955 18.244 -8.817 868 HB2 LEU 115 1HB LEU 115 -9.747 19.567 -6.931 869 HB3 LEU 115 2HB LEU 115 -8.797 20.319 -8.203 870 HG LEU 115 HG LEU 115 -11.248 20.839 -9.271 871 HD11 LEU 115 1HD1 LEU 115 -12.495 19.573 -7.506 872 HD12 LEU 115 2HD1 LEU 115 -12.957 21.268 -7.562 873 HD13 LEU 115 3HD1 LEU 115 -11.880 20.691 -6.291 874 HD21 LEU 115 3HD2 LEU 115 -10.122 22.423 -6.921 875 HD22 LEU 115 1HD2 LEU 115 -11.278 23.038 -8.107 876 HD23 LEU 115 2HD2 LEU 115 -9.647 22.604 -8.609 877 H GLU 116 H GLU 116 -11.497 18.927 -10.779 878 HA GLU 116 HA GLU 116 -9.642 20.062 -12.668 879 HB2 GLU 116 1HB GLU 116 -9.608 18.203 -14.282 880 HB3 GLU 116 2HB GLU 116 -8.933 17.682 -12.743 881 HG2 GLU 116 1HG GLU 116 -10.369 15.863 -13.295 882 HG3 GLU 116 2HG GLU 116 -11.375 16.804 -12.205 883 H HIS 117 H HIS 117 -10.717 21.071 -14.308 884 HA HIS 117 HA HIS 117 -13.583 21.356 -14.035 885 HB2 HIS 117 1HB HIS 117 -12.065 23.242 -14.672 886 HB3 HIS 117 2HB HIS 117 -11.746 22.453 -16.215 887 HD1 HIS 117 HD1 HIS 117 -14.733 23.712 -14.194 888 HD2 HIS 117 HD2 HIS 117 -13.627 23.091 -18.165 889 HE1 HIS 117 HE1 HIS 117 -16.657 24.548 -15.611 890 HE2 HIS 117 HE2 HIS 117 -16.000 24.177 -18.036 891 H HIS 118 H HIS 118 -15.149 20.323 -15.165 892 HA HIS 118 HA HIS 118 -14.563 18.036 -16.761 893 HB2 HIS 118 1HB HIS 118 -17.170 19.594 -16.469 894 HB3 HIS 118 2HB HIS 118 -17.012 17.966 -17.131 895 HD1 HIS 118 HD1 HIS 118 -15.988 16.133 -15.397 896 HD2 HIS 118 HD2 HIS 118 -17.412 19.664 -13.703 897 HE1 HIS 118 HE1 HIS 118 -16.274 15.675 -12.923 898 HE2 HIS 118 HE2 HIS 118 -17.140 17.818 -11.876 899 H HIS 119 H HIS 119 -14.120 17.911 -18.873 900 HA HIS 119 HA HIS 119 -13.680 18.544 -21.038 901 HB2 HIS 119 1HB HIS 119 -16.323 20.020 -20.699 902 HB3 HIS 119 2HB HIS 119 -15.570 19.594 -22.236 903 HD1 HIS 119 HD1 HIS 119 -15.219 16.922 -22.621 904 HD2 HIS 119 HD2 HIS 119 -17.916 18.012 -19.635 905 HE1 HIS 119 HE1 HIS 119 -16.616 14.866 -22.134 906 HE2 HIS 119 HE2 HIS 119 -18.265 15.515 -20.314 907 H HIS 120 H HIS 120 -11.828 19.801 -20.664 908 HA HIS 120 HA HIS 120 -11.790 22.494 -19.795 909 HB2 HIS 120 1HB HIS 120 -9.826 21.008 -21.588 910 HB3 HIS 120 2HB HIS 120 -9.495 22.533 -20.766 911 HD1 HIS 120 HD1 HIS 120 -9.620 22.431 -18.064 912 HD2 HIS 120 HD2 HIS 120 -9.387 18.753 -20.013 913 HE1 HIS 120 HE1 HIS 120 -8.969 20.727 -16.305 914 HE2 HIS 120 HE2 HIS 120 -8.822 18.481 -17.478 915 H HIS 121 H HIS 121 -11.960 21.068 -23.037 916 HA HIS 121 HA HIS 121 -12.455 21.937 -25.087 917 HB2 HIS 121 1HB HIS 121 -14.594 22.448 -23.885 918 HB3 HIS 121 2HB HIS 121 -13.970 24.043 -23.482 919 HD1 HIS 121 HD1 HIS 121 -14.392 21.958 -26.659 920 HD2 HIS 121 HD2 HIS 121 -14.728 25.908 -25.371 921 HE1 HIS 121 HE1 HIS 121 -15.169 23.298 -28.661 922 HE2 HIS 121 HE2 HIS 121 -15.378 25.709 -27.893 923 H HIS 122 H HIS 122 -12.315 24.025 -26.475 924 HA HIS 122 HA HIS 122 -10.680 26.197 -25.562 925 HB2 HIS 122 1HB HIS 122 -8.964 24.371 -25.669 926 HB3 HIS 122 2HB HIS 122 -9.345 24.125 -27.368 927 HD1 HIS 122 HD1 HIS 122 -8.099 25.570 -29.006 928 HD2 HIS 122 HD2 HIS 122 -7.933 27.115 -25.138 929 HE1 HIS 122 HE1 HIS 122 -6.575 27.592 -29.107 930 HE2 HIS 122 HE2 HIS 122 -6.465 28.546 -26.755 Start of MODEL 9 1 H1 MET 1 1H MET 1 11.008 13.112 1.072 2 H2 MET 1 2H MET 1 10.185 14.080 -0.055 3 H3 MET 1 3H MET 1 10.656 12.502 -0.471 4 HA MET 1 HA MET 1 8.411 13.421 1.152 5 HB2 MET 1 1HB MET 1 8.847 11.006 -0.666 6 HB3 MET 1 2HB MET 1 7.314 11.470 0.072 7 HG2 MET 1 1HG MET 1 7.236 12.309 -2.188 8 HG3 MET 1 2HG MET 1 7.542 13.719 -1.177 9 HE1 MET 1 3HE MET 1 8.049 13.408 -4.386 10 HE2 MET 1 1HE MET 1 9.476 14.452 -4.462 11 HE3 MET 1 2HE MET 1 8.131 14.869 -3.405 12 H ASP 2 H ASP 2 10.027 10.266 0.725 13 HA ASP 2 HA ASP 2 10.594 8.604 2.168 14 HB2 ASP 2 1HB ASP 2 10.636 10.693 4.395 15 HB3 ASP 2 2HB ASP 2 11.500 9.163 4.342 16 H LEU 3 H LEU 3 7.774 9.518 1.758 17 HA LEU 3 HA LEU 3 6.417 8.894 4.256 18 HB2 LEU 3 1HB LEU 3 5.590 9.795 1.507 19 HB3 LEU 3 2HB LEU 3 4.375 8.888 2.394 20 HG LEU 3 HG LEU 3 4.575 10.504 4.296 21 HD11 LEU 3 1HD1 LEU 3 6.847 11.286 4.047 22 HD12 LEU 3 2HD1 LEU 3 5.802 12.682 3.847 23 HD13 LEU 3 3HD1 LEU 3 6.528 11.915 2.433 24 HD21 LEU 3 3HD2 LEU 3 3.453 12.405 3.166 25 HD22 LEU 3 1HD2 LEU 3 2.858 10.863 2.554 26 HD23 LEU 3 2HD2 LEU 3 4.007 11.805 1.603 27 HA PRO 4 HA PRO 4 6.095 4.493 3.686 28 HB2 PRO 4 1HB PRO 4 3.681 3.887 4.909 29 HB3 PRO 4 2HB PRO 4 5.105 4.437 5.832 30 HG2 PRO 4 1HG PRO 4 2.793 6.087 4.797 31 HG3 PRO 4 2HG PRO 4 3.474 6.050 6.433 32 HD2 PRO 4 1HD PRO 4 4.199 8.004 4.738 33 HD3 PRO 4 2HD PRO 4 5.411 7.264 5.813 34 H ILE 5 H ILE 5 3.580 6.555 2.424 35 HA ILE 5 HA ILE 5 2.867 4.508 0.346 36 HB ILE 5 HB ILE 5 1.020 6.590 1.601 37 HG12 ILE 5 1HG1 ILE 5 0.973 3.535 1.841 38 HG13 ILE 5 2HG1 ILE 5 1.592 4.604 3.092 39 HG21 ILE 5 1HG2 ILE 5 0.508 4.424 -0.499 40 HG22 ILE 5 2HG2 ILE 5 0.440 6.162 -0.777 41 HG23 ILE 5 3HG2 ILE 5 -0.756 5.396 0.246 42 HD11 ILE 5 3HD1 ILE 5 -0.722 3.921 3.563 43 HD12 ILE 5 1HD1 ILE 5 -1.258 4.632 2.049 44 HD13 ILE 5 2HD1 ILE 5 -0.605 5.663 3.321 45 H THR 6 H THR 6 3.189 5.127 -1.678 46 HA THR 6 HA THR 6 3.325 8.031 -2.389 47 HB THR 6 HB THR 6 5.314 5.948 -3.394 48 HG1 THR 6 HG1 THR 6 6.652 6.677 -1.890 49 HG21 THR 6 3HG2 THR 6 6.528 7.944 -4.243 50 HG22 THR 6 1HG2 THR 6 5.228 8.983 -3.660 51 HG23 THR 6 2HG2 THR 6 4.925 7.838 -4.967 52 H LEU 7 H LEU 7 1.975 8.476 -3.960 53 HA LEU 7 HA LEU 7 0.977 6.316 -5.748 54 HB2 LEU 7 1HB LEU 7 -0.259 9.041 -5.237 55 HB3 LEU 7 2HB LEU 7 -0.978 7.680 -6.082 56 HG LEU 7 HG LEU 7 -0.346 6.520 -3.582 57 HD11 LEU 7 1HD1 LEU 7 -1.076 8.051 -1.825 58 HD12 LEU 7 2HD1 LEU 7 -1.333 9.341 -3.002 59 HD13 LEU 7 3HD1 LEU 7 0.298 8.756 -2.680 60 HD21 LEU 7 3HD2 LEU 7 -2.810 6.798 -3.065 61 HD22 LEU 7 1HD2 LEU 7 -2.471 6.170 -4.673 62 HD23 LEU 7 2HD2 LEU 7 -2.930 7.854 -4.471 63 H SER 8 H SER 8 0.922 6.607 -7.971 64 HA SER 8 HA SER 8 2.987 8.334 -9.079 65 HB2 SER 8 1HB SER 8 2.483 7.171 -11.179 66 HB3 SER 8 2HB SER 8 2.656 6.008 -9.872 67 HG SER 8 HG SER 8 0.769 5.375 -10.586 68 H LYS 9 H LYS 9 0.721 9.680 -7.864 69 HA LYS 9 HA LYS 9 -1.070 10.671 -9.868 70 HB2 LYS 9 1HB LYS 9 -1.681 12.316 -8.092 71 HB3 LYS 9 2HB LYS 9 -1.700 10.652 -7.502 72 HG2 LYS 9 1HG LYS 9 0.539 10.970 -6.495 73 HG3 LYS 9 2HG LYS 9 0.592 12.621 -7.072 74 HD2 LYS 9 1HD LYS 9 -1.410 13.183 -5.719 75 HD3 LYS 9 2HD LYS 9 -1.467 11.523 -5.122 76 HE2 LYS 9 1HE LYS 9 0.839 13.472 -4.708 77 HE3 LYS 9 2HE LYS 9 -0.338 12.998 -3.481 78 HZ1 LYS 9 3HZ LYS 9 1.665 11.698 -3.261 79 HZ2 LYS 9 1HZ LYS 9 1.566 11.197 -4.880 80 HZ3 LYS 9 2HZ LYS 9 0.390 10.692 -3.761 81 H GLU 10 H GLU 10 1.333 10.855 -11.063 82 HA GLU 10 HA GLU 10 2.924 13.107 -10.756 83 HB2 GLU 10 1HB GLU 10 2.061 11.758 -13.347 84 HB3 GLU 10 2HB GLU 10 3.436 12.854 -13.191 85 HG2 GLU 10 1HG GLU 10 4.484 11.300 -11.559 86 HG3 GLU 10 2HG GLU 10 3.115 10.204 -11.726 87 H THR 11 H THR 11 -0.271 12.816 -12.124 88 HA THR 11 HA THR 11 -0.435 15.775 -12.374 89 HB THR 11 HB THR 11 -1.586 15.598 -14.513 90 HG1 THR 11 HG1 THR 11 -1.874 13.060 -13.725 91 HG21 THR 11 3HG2 THR 11 0.285 14.874 -15.900 92 HG22 THR 11 1HG2 THR 11 0.901 13.840 -14.611 93 HG23 THR 11 2HG2 THR 11 0.972 15.598 -14.445 94 HA PRO 12 HA PRO 12 -4.268 14.840 -10.178 95 HB2 PRO 12 1HB PRO 12 -5.456 17.284 -10.071 96 HB3 PRO 12 2HB PRO 12 -3.925 16.985 -9.209 97 HG2 PRO 12 1HG PRO 12 -4.324 18.265 -11.921 98 HG3 PRO 12 2HG PRO 12 -3.366 18.862 -10.545 99 HD2 PRO 12 1HD PRO 12 -2.190 17.479 -12.620 100 HD3 PRO 12 2HD PRO 12 -1.594 17.338 -10.944 101 H PHE 13 H PHE 13 -5.728 13.589 -11.271 102 HA PHE 13 HA PHE 13 -7.753 14.787 -12.923 103 HB2 PHE 13 1HB PHE 13 -5.759 14.520 -14.531 104 HB3 PHE 13 2HB PHE 13 -5.949 12.782 -14.368 105 HD1 PHE 13 HD2 PHE 13 -8.137 11.675 -15.099 106 HD2 PHE 13 HD1 PHE 13 -7.342 15.837 -15.888 107 HE1 PHE 13 HE2 PHE 13 -9.973 11.715 -16.760 108 HE2 PHE 13 HE1 PHE 13 -9.189 15.869 -17.537 109 HZ PHE 13 HZ PHE 13 -10.505 13.812 -17.974 110 H GLU 14 H GLU 14 -9.331 13.829 -11.747 111 HA GLU 14 HA GLU 14 -9.372 11.283 -10.617 112 HB2 GLU 14 1HB GLU 14 -11.840 11.551 -10.519 113 HB3 GLU 14 2HB GLU 14 -11.008 13.015 -10.002 114 HG2 GLU 14 1HG GLU 14 -12.147 12.606 -12.812 115 HG3 GLU 14 2HG GLU 14 -12.978 13.458 -11.527 116 H GLY 15 H GLY 15 -10.290 9.287 -11.266 117 HA2 GLY 15 1HA GLY 15 -11.187 7.705 -12.734 118 HA3 GLY 15 2HA GLY 15 -11.163 8.875 -14.046 119 H GLU 16 H GLU 16 -8.283 9.534 -13.242 120 HA GLU 16 HA GLU 16 -7.000 7.745 -15.074 121 HB2 GLU 16 1HB GLU 16 -6.302 10.147 -14.656 122 HB3 GLU 16 2HB GLU 16 -5.672 9.656 -13.094 123 HG2 GLU 16 1HG GLU 16 -3.825 9.725 -14.697 124 HG3 GLU 16 2HG GLU 16 -4.126 8.044 -14.286 125 H GLU 17 H GLU 17 -5.567 6.085 -14.694 126 HA GLU 17 HA GLU 17 -5.980 4.582 -12.278 127 HB2 GLU 17 1HB GLU 17 -5.611 3.577 -14.553 128 HB3 GLU 17 2HB GLU 17 -3.934 4.111 -14.490 129 HG2 GLU 17 1HG GLU 17 -3.596 2.751 -12.419 130 HG3 GLU 17 2HG GLU 17 -5.271 2.212 -12.512 131 H ILE 18 H ILE 18 -4.687 4.387 -10.535 132 HA ILE 18 HA ILE 18 -2.114 5.927 -10.430 133 HB ILE 18 HB ILE 18 -2.649 6.419 -8.057 134 HG12 ILE 18 1HG1 ILE 18 -5.396 5.258 -8.714 135 HG13 ILE 18 2HG1 ILE 18 -4.217 4.500 -7.656 136 HG21 ILE 18 1HG2 ILE 18 -4.331 8.186 -8.515 137 HG22 ILE 18 2HG2 ILE 18 -4.809 7.363 -9.995 138 HG23 ILE 18 3HG2 ILE 18 -3.202 8.066 -9.859 139 HD11 ILE 18 3HD1 ILE 18 -4.313 6.666 -6.248 140 HD12 ILE 18 1HD1 ILE 18 -5.719 5.606 -6.196 141 HD13 ILE 18 2HD1 ILE 18 -5.750 7.057 -7.188 142 H THR 19 H THR 19 -0.436 5.028 -9.327 143 HA THR 19 HA THR 19 -0.616 2.096 -8.871 144 HB THR 19 HB THR 19 1.874 3.852 -9.005 145 HG1 THR 19 HG1 THR 19 0.244 3.367 -10.916 146 HG21 THR 19 3HG2 THR 19 2.210 1.651 -7.895 147 HG22 THR 19 1HG2 THR 19 3.018 1.705 -9.462 148 HG23 THR 19 2HG2 THR 19 1.488 0.848 -9.288 149 H VAL 20 H VAL 20 -1.063 1.510 -6.858 150 HA VAL 20 HA VAL 20 -0.276 3.245 -4.576 151 HB VAL 20 HB VAL 20 -2.054 0.770 -4.601 152 HG11 VAL 20 1HG1 VAL 20 -1.092 1.262 -2.364 153 HG12 VAL 20 2HG1 VAL 20 -2.798 1.664 -2.384 154 HG13 VAL 20 3HG1 VAL 20 -1.602 2.944 -2.503 155 HG21 VAL 20 3HG2 VAL 20 -3.036 2.592 -5.968 156 HG22 VAL 20 1HG2 VAL 20 -2.788 3.728 -4.643 157 HG23 VAL 20 2HG2 VAL 20 -3.934 2.401 -4.466 158 H SER 21 H SER 21 1.578 2.804 -3.580 159 HA SER 21 HA SER 21 2.553 -0.021 -3.384 160 HB2 SER 21 1HB SER 21 4.259 2.454 -3.851 161 HB3 SER 21 2HB SER 21 4.816 0.803 -3.688 162 HG SER 21 HG SER 21 3.889 0.282 -5.599 163 H ALA 22 H ALA 22 3.048 -0.641 -1.389 164 HA ALA 22 HA ALA 22 3.103 1.366 0.838 165 HB1 ALA 22 3HB ALA 22 2.415 -1.597 0.873 166 HB2 ALA 22 1HB ALA 22 1.255 -0.272 0.933 167 HB3 ALA 22 2HB ALA 22 2.385 -0.513 2.267 168 H ARG 23 H ARG 23 4.971 1.617 1.906 169 HA ARG 23 HA ARG 23 7.288 -0.051 1.241 170 HB2 ARG 23 1HB ARG 23 7.052 2.345 3.081 171 HB3 ARG 23 2HB ARG 23 8.558 1.561 2.611 172 HG2 ARG 23 1HG ARG 23 8.055 2.078 0.211 173 HG3 ARG 23 2HG ARG 23 6.590 2.919 0.717 174 HD2 ARG 23 1HD ARG 23 7.979 4.491 2.050 175 HD3 ARG 23 2HD ARG 23 9.434 3.669 1.508 176 HE ARG 23 HE ARG 23 7.876 5.581 0.007 177 HH11 ARG 23 1HH2 ARG 23 9.904 2.765 -0.287 178 HH12 ARG 23 2HH2 ARG 23 10.395 3.131 -1.908 179 HH21 ARG 23 1HH1 ARG 23 8.525 6.039 -2.118 180 HH22 ARG 23 2HH1 ARG 23 9.619 4.974 -2.939 181 H VAL 24 H VAL 24 7.734 -1.855 2.309 182 HA VAL 24 HA VAL 24 6.796 -2.210 5.119 183 HB VAL 24 HB VAL 24 7.670 -4.403 3.182 184 HG11 VAL 24 1HG1 VAL 24 6.413 -5.864 4.734 185 HG12 VAL 24 2HG1 VAL 24 6.015 -4.468 5.735 186 HG13 VAL 24 3HG1 VAL 24 7.689 -4.994 5.588 187 HG21 VAL 24 3HG2 VAL 24 5.736 -3.248 2.182 188 HG22 VAL 24 1HG2 VAL 24 4.865 -3.332 3.716 189 HG23 VAL 24 2HG2 VAL 24 5.226 -4.809 2.818 190 H THR 25 H THR 25 8.344 -1.766 6.524 191 HA THR 25 HA THR 25 11.190 -1.999 5.819 192 HB THR 25 HB THR 25 9.883 -1.166 8.457 193 HG1 THR 25 HG1 THR 25 9.292 0.378 7.124 194 HG21 THR 25 3HG2 THR 25 12.693 -0.743 7.360 195 HG22 THR 25 1HG2 THR 25 12.268 -1.780 8.724 196 HG23 THR 25 2HG2 THR 25 12.067 -0.033 8.846 197 H ASN 26 H ASN 26 12.478 -3.674 6.388 198 HA ASN 26 HA ASN 26 11.299 -6.004 7.737 199 HB2 ASN 26 1HB ASN 26 12.665 -6.278 5.700 200 HB3 ASN 26 2HB ASN 26 14.072 -5.634 6.526 201 HD21 ASN 26 2HD2 ASN 26 11.721 -8.337 6.601 202 HD22 ASN 26 1HD2 ASN 26 12.747 -9.418 7.414 203 H ARG 27 H ARG 27 11.237 -5.852 9.898 204 HA ARG 27 HA ARG 27 13.476 -4.655 11.429 205 HB2 ARG 27 1HB ARG 27 10.715 -5.590 12.315 206 HB3 ARG 27 2HB ARG 27 11.860 -4.675 13.291 207 HG2 ARG 27 1HG ARG 27 10.568 -3.657 10.717 208 HG3 ARG 27 2HG ARG 27 10.032 -3.249 12.339 209 HD2 ARG 27 1HD ARG 27 12.335 -2.269 12.782 210 HD3 ARG 27 2HD ARG 27 12.695 -2.506 11.075 211 HE ARG 27 HE ARG 27 11.401 -0.688 10.565 212 HH11 ARG 27 1HH2 ARG 27 10.530 -1.811 13.749 213 HH12 ARG 27 2HH2 ARG 27 9.461 -0.483 14.056 214 HH21 ARG 27 1HH1 ARG 27 9.995 1.026 10.986 215 HH22 ARG 27 2HH1 ARG 27 9.162 1.116 12.500 216 H GLY 28 H GLY 28 12.989 -6.078 13.816 217 HA2 GLY 28 1HA GLY 28 13.504 -8.026 14.927 218 HA3 GLY 28 2HA GLY 28 13.314 -8.922 13.420 219 H ALA 29 H ALA 29 15.171 -10.009 13.065 220 HA ALA 29 HA ALA 29 17.664 -8.605 12.657 221 HB1 ALA 29 3HB ALA 29 18.948 -9.750 14.430 222 HB2 ALA 29 1HB ALA 29 17.466 -10.507 15.024 223 HB3 ALA 29 2HB ALA 29 17.666 -8.760 15.128 224 H ALA 30 H ALA 30 15.686 -10.601 11.479 225 HA ALA 30 HA ALA 30 17.720 -12.447 10.365 226 HB1 ALA 30 3HB ALA 30 16.583 -13.670 12.200 227 HB2 ALA 30 1HB ALA 30 16.186 -14.360 10.625 228 HB3 ALA 30 2HB ALA 30 15.021 -13.329 11.460 229 H GLU 31 H GLU 31 17.171 -13.293 8.331 230 HA GLU 31 HA GLU 31 15.824 -11.463 6.616 231 HB2 GLU 31 1HB GLU 31 17.702 -12.964 5.924 232 HB3 GLU 31 2HB GLU 31 16.619 -14.347 6.034 233 HG2 GLU 31 1HG GLU 31 15.152 -13.333 4.310 234 HG3 GLU 31 2HG GLU 31 16.218 -11.940 4.219 235 H ALA 32 H ALA 32 13.675 -11.226 6.465 236 HA ALA 32 HA ALA 32 11.825 -13.337 7.330 237 HB1 ALA 32 3HB ALA 32 11.446 -10.965 7.963 238 HB2 ALA 32 1HB ALA 32 10.104 -11.610 7.017 239 HB3 ALA 32 2HB ALA 32 11.286 -10.540 6.262 240 H HIS 33 H HIS 33 10.198 -14.190 5.985 241 HA HIS 33 HA HIS 33 10.441 -13.783 3.055 242 HB2 HIS 33 1HB HIS 33 11.857 -15.777 3.743 243 HB3 HIS 33 2HB HIS 33 10.391 -16.563 4.326 244 HD1 HIS 33 HD1 HIS 33 9.034 -17.812 2.574 245 HD2 HIS 33 HD2 HIS 33 11.713 -15.123 0.851 246 HE1 HIS 33 HE1 HIS 33 8.880 -18.148 0.063 247 HE2 HIS 33 HE2 HIS 33 10.500 -16.506 -0.996 248 H ASN 34 H ASN 34 8.660 -14.931 1.907 249 HA ASN 34 HA ASN 34 6.398 -14.916 1.483 250 HB2 ASN 34 1HB ASN 34 6.340 -16.170 4.249 251 HB3 ASN 34 2HB ASN 34 5.039 -16.254 3.060 252 HD21 ASN 34 2HD2 ASN 34 7.211 -18.271 4.293 253 HD22 ASN 34 1HD2 ASN 34 7.679 -19.143 2.915 254 H VAL 35 H VAL 35 6.855 -12.452 1.856 255 HA VAL 35 HA VAL 35 5.064 -11.390 4.007 256 HB VAL 35 HB VAL 35 7.316 -9.932 2.570 257 HG11 VAL 35 1HG1 VAL 35 5.660 -9.215 5.036 258 HG12 VAL 35 2HG1 VAL 35 5.549 -8.428 3.464 259 HG13 VAL 35 3HG1 VAL 35 7.019 -8.274 4.421 260 HG21 VAL 35 3HG2 VAL 35 8.240 -11.746 3.974 261 HG22 VAL 35 1HG2 VAL 35 7.236 -11.234 5.332 262 HG23 VAL 35 2HG2 VAL 35 8.539 -10.195 4.752 263 HA PRO 36 HA PRO 36 3.042 -10.346 -0.053 264 HB2 PRO 36 1HB PRO 36 0.533 -11.244 0.393 265 HB3 PRO 36 2HB PRO 36 1.847 -12.399 0.061 266 HG2 PRO 36 1HG PRO 36 0.710 -11.580 2.746 267 HG3 PRO 36 2HG PRO 36 1.012 -13.222 2.117 268 HD2 PRO 36 1HD PRO 36 2.822 -11.918 3.739 269 HD3 PRO 36 2HD PRO 36 3.338 -13.090 2.523 270 H VAL 37 H VAL 37 1.173 -8.887 -0.446 271 HA VAL 37 HA VAL 37 0.589 -7.053 1.847 272 HB VAL 37 HB VAL 37 1.336 -6.165 -0.974 273 HG11 VAL 37 1HG1 VAL 37 1.388 -3.889 0.075 274 HG12 VAL 37 2HG1 VAL 37 0.803 -4.588 1.583 275 HG13 VAL 37 3HG1 VAL 37 -0.226 -4.597 0.153 276 HG21 VAL 37 3HG2 VAL 37 2.916 -6.059 1.631 277 HG22 VAL 37 1HG2 VAL 37 3.412 -5.310 0.111 278 HG23 VAL 37 2HG2 VAL 37 3.300 -7.062 0.232 279 H ALA 38 H ALA 38 -1.449 -6.399 1.991 280 HA ALA 38 HA ALA 38 -3.348 -6.998 -0.246 281 HB1 ALA 38 3HB ALA 38 -3.569 -8.637 1.605 282 HB2 ALA 38 1HB ALA 38 -5.001 -7.613 1.473 283 HB3 ALA 38 2HB ALA 38 -3.814 -7.319 2.752 284 H VAL 39 H VAL 39 -4.013 -5.118 -1.017 285 HA VAL 39 HA VAL 39 -4.353 -2.771 0.772 286 HB VAL 39 HB VAL 39 -4.274 -2.873 -2.280 287 HG11 VAL 39 1HG1 VAL 39 -3.939 -0.430 -2.070 288 HG12 VAL 39 2HG1 VAL 39 -4.037 -0.544 -0.316 289 HG13 VAL 39 3HG1 VAL 39 -5.453 -0.888 -1.304 290 HG21 VAL 39 3HG2 VAL 39 -2.090 -3.577 -1.341 291 HG22 VAL 39 1HG2 VAL 39 -2.076 -2.166 -0.281 292 HG23 VAL 39 2HG2 VAL 39 -1.959 -1.960 -2.027 293 H TYR 40 H TYR 40 -6.306 -1.892 1.072 294 HA TYR 40 HA TYR 40 -8.616 -2.668 -0.604 295 HB2 TYR 40 1HB TYR 40 -9.961 -3.265 1.436 296 HB3 TYR 40 2HB TYR 40 -8.646 -4.396 1.119 297 HD1 TYR 40 HD2 TYR 40 -6.580 -4.394 2.516 298 HD2 TYR 40 HD1 TYR 40 -9.866 -1.745 3.399 299 HE1 TYR 40 HE2 TYR 40 -5.594 -3.900 4.736 300 HE2 TYR 40 HE1 TYR 40 -8.861 -1.255 5.615 301 HH TYR 40 HH TYR 40 -5.917 -1.608 6.414 302 H LEU 41 H LEU 41 -9.808 -0.937 -1.029 303 HA LEU 41 HA LEU 41 -9.283 1.582 0.378 304 HB2 LEU 41 1HB LEU 41 -9.557 1.335 -2.168 305 HB3 LEU 41 2HB LEU 41 -11.276 1.123 -1.888 306 HG LEU 41 HG LEU 41 -10.871 3.439 -0.400 307 HD11 LEU 41 1HD1 LEU 41 -8.441 3.482 -1.008 308 HD12 LEU 41 2HD1 LEU 41 -9.302 4.929 -1.518 309 HD13 LEU 41 3HD1 LEU 41 -8.887 3.688 -2.702 310 HD21 LEU 41 3HD2 LEU 41 -11.324 3.340 -3.400 311 HD22 LEU 41 1HD2 LEU 41 -11.666 4.738 -2.381 312 HD23 LEU 41 2HD2 LEU 41 -12.563 3.236 -2.159 313 H GLY 42 H GLY 42 -10.479 2.299 2.025 314 HA2 GLY 42 1HA GLY 42 -12.736 2.918 2.793 315 HA3 GLY 42 2HA GLY 42 -13.255 1.267 2.476 316 H ASN 43 H ASN 43 -13.910 1.145 4.672 317 HA ASN 43 HA ASN 43 -11.689 0.923 6.655 318 HB2 ASN 43 1HB ASN 43 -14.618 1.515 7.103 319 HB3 ASN 43 2HB ASN 43 -13.388 1.409 8.366 320 HD21 ASN 43 2HD2 ASN 43 -15.031 3.823 7.316 321 HD22 ASN 43 1HD2 ASN 43 -13.852 4.992 6.966 322 HA PRO 44 HA PRO 44 -12.428 -3.521 6.882 323 HB2 PRO 44 1HB PRO 44 -12.237 -3.108 9.889 324 HB3 PRO 44 2HB PRO 44 -11.454 -4.350 8.881 325 HG2 PRO 44 1HG PRO 44 -10.052 -2.249 9.751 326 HG3 PRO 44 2HG PRO 44 -9.824 -2.857 8.094 327 HD2 PRO 44 1HD PRO 44 -11.303 -0.370 8.991 328 HD3 PRO 44 2HD PRO 44 -10.350 -0.663 7.515 329 H ALA 45 H ALA 45 -14.152 -1.431 9.186 330 HA ALA 45 HA ALA 45 -16.339 -3.292 9.647 331 HB1 ALA 45 3HB ALA 45 -15.617 -1.658 11.355 332 HB2 ALA 45 1HB ALA 45 -17.312 -1.418 10.923 333 HB3 ALA 45 2HB ALA 45 -16.073 -0.332 10.287 334 H GLN 46 H GLN 46 -15.682 -2.288 6.845 335 HA GLN 46 HA GLN 46 -18.398 -2.049 5.919 336 HB2 GLN 46 1HB GLN 46 -17.998 0.295 6.708 337 HB3 GLN 46 2HB GLN 46 -16.629 0.419 5.611 338 HG2 GLN 46 1HG GLN 46 -18.142 0.062 3.669 339 HG3 GLN 46 2HG GLN 46 -19.510 -0.110 4.765 340 HE21 GLN 46 2HE2 GLN 46 -20.695 1.790 4.220 341 HE22 GLN 46 1HE2 GLN 46 -20.062 3.358 4.364 342 H GLY 47 H GLY 47 -15.355 -0.693 4.652 343 HA2 GLY 47 1HA GLY 47 -15.651 -1.781 2.065 344 HA3 GLY 47 2HA GLY 47 -14.152 -1.170 2.757 345 H GLY 48 H GLY 48 -12.638 -2.611 3.563 346 HA2 GLY 48 1HA GLY 48 -11.526 -4.611 3.826 347 HA3 GLY 48 2HA GLY 48 -13.080 -5.314 4.257 348 H VAL 49 H VAL 49 -12.292 -3.775 1.179 349 HA VAL 49 HA VAL 49 -12.809 -6.345 -0.244 350 HB VAL 49 HB VAL 49 -12.927 -3.498 -1.331 351 HG11 VAL 49 1HG1 VAL 49 -13.819 -6.172 -2.508 352 HG12 VAL 49 2HG1 VAL 49 -12.487 -5.181 -3.099 353 HG13 VAL 49 3HG1 VAL 49 -14.142 -4.598 -3.236 354 HG21 VAL 49 3HG2 VAL 49 -14.695 -3.876 0.353 355 HG22 VAL 49 1HG2 VAL 49 -15.164 -5.375 -0.444 356 HG23 VAL 49 2HG2 VAL 49 -15.403 -3.827 -1.255 357 H GLU 50 H GLU 50 -11.023 -7.376 -0.861 358 HA GLU 50 HA GLU 50 -8.445 -6.104 -1.031 359 HB2 GLU 50 1HB GLU 50 -8.786 -8.501 -0.404 360 HB3 GLU 50 2HB GLU 50 -9.280 -8.852 -2.059 361 HG2 GLU 50 1HG GLU 50 -7.047 -8.080 -2.876 362 HG3 GLU 50 2HG GLU 50 -6.569 -7.736 -1.217 363 H ILE 51 H ILE 51 -7.450 -5.219 -2.755 364 HA ILE 51 HA ILE 51 -8.905 -5.051 -5.346 365 HB ILE 51 HB ILE 51 -6.467 -3.475 -4.392 366 HG12 ILE 51 1HG1 ILE 51 -9.401 -2.592 -4.492 367 HG13 ILE 51 2HG1 ILE 51 -8.593 -3.101 -3.018 368 HG21 ILE 51 1HG2 ILE 51 -6.711 -3.548 -6.877 369 HG22 ILE 51 2HG2 ILE 51 -7.102 -1.952 -6.279 370 HG23 ILE 51 3HG2 ILE 51 -8.395 -3.050 -6.730 371 HD11 ILE 51 3HD1 ILE 51 -8.572 -0.670 -3.171 372 HD12 ILE 51 1HD1 ILE 51 -7.781 -0.741 -4.742 373 HD13 ILE 51 2HD1 ILE 51 -6.927 -1.283 -3.297 374 H GLY 52 H GLY 52 -5.702 -5.822 -4.026 375 HA2 GLY 52 1HA GLY 52 -5.219 -7.967 -5.797 376 HA3 GLY 52 2HA GLY 52 -4.433 -6.518 -6.432 377 H ARG 53 H ARG 53 -2.928 -8.688 -5.716 378 HA ARG 53 HA ARG 53 -1.219 -7.569 -3.628 379 HB2 ARG 53 1HB ARG 53 -1.205 -9.685 -2.299 380 HB3 ARG 53 2HB ARG 53 -2.778 -8.883 -2.267 381 HG2 ARG 53 1HG ARG 53 -3.608 -10.422 -4.026 382 HG3 ARG 53 2HG ARG 53 -2.044 -11.228 -4.074 383 HD2 ARG 53 1HD ARG 53 -2.299 -11.883 -1.700 384 HD3 ARG 53 2HD ARG 53 -3.873 -11.083 -1.652 385 HE ARG 53 HE ARG 53 -3.901 -12.914 -3.788 386 HH11 ARG 53 1HH2 ARG 53 -3.688 -12.901 -0.315 387 HH12 ARG 53 2HH2 ARG 53 -4.452 -14.445 -0.133 388 HH21 ARG 53 1HH1 ARG 53 -4.897 -14.927 -3.538 389 HH22 ARG 53 2HH1 ARG 53 -5.134 -15.588 -1.954 390 H ASP 54 H ASP 54 0.782 -8.891 -3.380 391 HA ASP 54 HA ASP 54 1.492 -10.755 -5.490 392 HB2 ASP 54 1HB ASP 54 1.626 -8.558 -6.670 393 HB3 ASP 54 2HB ASP 54 2.802 -8.000 -5.485 394 H THR 55 H THR 55 2.752 -12.183 -4.467 395 HA THR 55 HA THR 55 4.066 -11.575 -1.960 396 HB THR 55 HB THR 55 4.375 -14.079 -3.687 397 HG1 THR 55 HG1 THR 55 2.343 -14.282 -3.241 398 HG21 THR 55 3HG2 THR 55 4.872 -15.165 -1.514 399 HG22 THR 55 1HG2 THR 55 4.701 -13.615 -0.693 400 HG23 THR 55 2HG2 THR 55 6.025 -13.871 -1.828 401 H ILE 56 H ILE 56 6.122 -10.947 -1.642 402 HA ILE 56 HA ILE 56 7.808 -10.282 -3.923 403 HB ILE 56 HB ILE 56 8.324 -9.994 -0.924 404 HG12 ILE 56 1HG1 ILE 56 7.421 -7.817 -2.893 405 HG13 ILE 56 2HG1 ILE 56 6.277 -8.716 -1.911 406 HG21 ILE 56 1HG2 ILE 56 10.448 -9.869 -2.148 407 HG22 ILE 56 2HG2 ILE 56 9.995 -8.208 -1.745 408 HG23 ILE 56 3HG2 ILE 56 9.740 -8.823 -3.378 409 HD11 ILE 56 3HD1 ILE 56 8.592 -7.172 -0.695 410 HD12 ILE 56 1HD1 ILE 56 7.193 -7.876 0.120 411 HD13 ILE 56 2HD1 ILE 56 6.984 -6.492 -0.946 412 H SER 57 H SER 57 9.973 -11.039 -4.185 413 HA SER 57 HA SER 57 10.236 -13.873 -3.982 414 HB2 SER 57 1HB SER 57 12.551 -13.478 -4.794 415 HB3 SER 57 2HB SER 57 11.379 -12.541 -5.721 416 HG SER 57 HG SER 57 12.902 -11.611 -3.512 417 H ARG 58 H ARG 58 11.918 -11.226 -2.293 418 HA ARG 58 HA ARG 58 11.926 -12.454 0.251 419 HB2 ARG 58 1HB ARG 58 14.408 -12.991 0.396 420 HB3 ARG 58 2HB ARG 58 13.508 -14.096 -0.631 421 HG2 ARG 58 1HG ARG 58 14.214 -12.826 -2.647 422 HG3 ARG 58 2HG ARG 58 15.122 -11.710 -1.628 423 HD2 ARG 58 1HD ARG 58 16.619 -13.413 -2.586 424 HD3 ARG 58 2HD ARG 58 16.529 -13.595 -0.831 425 HE ARG 58 HE ARG 58 14.544 -15.210 -2.062 426 HH11 ARG 58 1HH2 ARG 58 17.988 -15.001 -1.634 427 HH12 ARG 58 2HH2 ARG 58 18.235 -16.711 -1.750 428 HH21 ARG 58 1HH1 ARG 58 14.873 -17.429 -2.205 429 HH22 ARG 58 2HH1 ARG 58 16.470 -18.085 -2.074 430 H ILE 59 H ILE 59 12.708 -11.069 1.812 431 HA ILE 59 HA ILE 59 13.715 -8.432 0.853 432 HB ILE 59 HB ILE 59 12.123 -8.974 3.380 433 HG12 ILE 59 1HG1 ILE 59 11.239 -7.701 0.739 434 HG13 ILE 59 2HG1 ILE 59 10.800 -9.323 1.250 435 HG21 ILE 59 1HG2 ILE 59 13.050 -6.391 2.029 436 HG22 ILE 59 2HG2 ILE 59 13.587 -6.990 3.587 437 HG23 ILE 59 3HG2 ILE 59 11.936 -6.435 3.383 438 HD11 ILE 59 3HD1 ILE 59 8.980 -7.766 1.741 439 HD12 ILE 59 1HD1 ILE 59 10.049 -6.761 2.706 440 HD13 ILE 59 2HD1 ILE 59 9.649 -8.394 3.237 441 HA PRO 60 HA PRO 60 17.261 -9.818 3.414 442 HB2 PRO 60 1HB PRO 60 19.107 -7.920 2.761 443 HB3 PRO 60 2HB PRO 60 18.621 -9.173 1.595 444 HG2 PRO 60 1HG PRO 60 17.606 -6.337 1.824 445 HG3 PRO 60 2HG PRO 60 18.188 -7.190 0.373 446 HD2 PRO 60 1HD PRO 60 15.517 -6.989 0.931 447 HD3 PRO 60 2HD PRO 60 16.179 -8.449 0.150 448 H VAL 61 H VAL 61 18.474 -8.985 5.270 449 HA VAL 61 HA VAL 61 16.831 -7.450 7.049 450 HB VAL 61 HB VAL 61 19.731 -8.305 7.444 451 HG11 VAL 61 1HG1 VAL 61 19.124 -8.217 9.868 452 HG12 VAL 61 2HG1 VAL 61 17.524 -7.613 9.438 453 HG13 VAL 61 3HG1 VAL 61 18.952 -6.633 9.114 454 HG21 VAL 61 3HG2 VAL 61 18.740 -10.303 8.566 455 HG22 VAL 61 1HG2 VAL 61 18.293 -10.242 6.862 456 HG23 VAL 61 2HG2 VAL 61 17.129 -9.760 8.097 457 H GLY 62 H GLY 62 16.983 -5.329 7.686 458 HA2 GLY 62 1HA GLY 62 17.675 -3.142 7.782 459 HA3 GLY 62 2HA GLY 62 19.263 -3.646 7.212 460 H GLY 63 H GLY 63 16.608 -4.679 5.315 461 HA2 GLY 63 1HA GLY 63 17.113 -2.592 3.236 462 HA3 GLY 63 2HA GLY 63 16.748 -4.282 2.922 463 H THR 64 H THR 64 15.098 -3.138 1.576 464 HA THR 64 HA THR 64 12.551 -2.858 3.102 465 HB THR 64 HB THR 64 11.889 -1.003 1.663 466 HG1 THR 64 HG1 THR 64 12.846 -1.165 -0.214 467 HG21 THR 64 3HG2 THR 64 13.459 0.719 2.441 468 HG22 THR 64 1HG2 THR 64 14.684 -0.510 2.759 469 HG23 THR 64 2HG2 THR 64 13.207 -0.467 3.724 470 H GLY 65 H GLY 65 10.701 -2.842 1.465 471 HA2 GLY 65 1HA GLY 65 10.939 -4.265 -1.010 472 HA3 GLY 65 2HA GLY 65 10.532 -5.379 0.294 473 H LEU 66 H LEU 66 9.142 -3.655 -2.089 474 HA LEU 66 HA LEU 66 6.533 -3.482 -0.662 475 HB2 LEU 66 1HB LEU 66 6.049 -1.455 -2.101 476 HB3 LEU 66 2HB LEU 66 7.227 -1.204 -0.839 477 HG LEU 66 HG LEU 66 8.489 -2.063 -3.426 478 HD11 LEU 66 1HD1 LEU 66 8.275 0.125 -4.526 479 HD12 LEU 66 2HD1 LEU 66 7.192 0.675 -3.248 480 HD13 LEU 66 3HD1 LEU 66 6.693 -0.632 -4.326 481 HD21 LEU 66 3HD2 LEU 66 9.750 -1.279 -1.397 482 HD22 LEU 66 1HD2 LEU 66 9.017 0.317 -1.591 483 HD23 LEU 66 2HD2 LEU 66 10.104 -0.317 -2.833 484 H ALA 67 H ALA 67 4.716 -3.599 -2.043 485 HA ALA 67 HA ALA 67 5.091 -5.403 -4.347 486 HB1 ALA 67 3HB ALA 67 3.656 -6.180 -2.480 487 HB2 ALA 67 1HB ALA 67 2.717 -5.952 -3.957 488 HB3 ALA 67 2HB ALA 67 2.639 -4.752 -2.664 489 H ARG 68 H ARG 68 3.657 -5.086 -6.148 490 HA ARG 68 HA ARG 68 3.031 -2.190 -6.666 491 HB2 ARG 68 1HB ARG 68 5.039 -3.096 -7.926 492 HB3 ARG 68 2HB ARG 68 3.959 -4.214 -8.755 493 HG2 ARG 68 1HG ARG 68 2.632 -2.255 -9.597 494 HG3 ARG 68 2HG ARG 68 3.762 -1.163 -8.802 495 HD2 ARG 68 1HD ARG 68 4.506 -3.165 -10.969 496 HD3 ARG 68 2HD ARG 68 4.280 -1.434 -11.222 497 HE ARG 68 HE ARG 68 6.160 -1.784 -9.151 498 HH11 ARG 68 1HH2 ARG 68 5.834 -2.322 -12.577 499 HH12 ARG 68 2HH2 ARG 68 7.530 -2.159 -12.892 500 HH21 ARG 68 1HH1 ARG 68 8.364 -1.576 -9.577 501 HH22 ARG 68 2HH1 ARG 68 8.959 -1.738 -11.195 502 H VAL 69 H VAL 69 0.978 -1.805 -6.996 503 HA VAL 69 HA VAL 69 -0.744 -3.781 -8.377 504 HB VAL 69 HB VAL 69 -2.555 -3.307 -6.646 505 HG11 VAL 69 1HG1 VAL 69 -1.242 -5.428 -6.599 506 HG12 VAL 69 2HG1 VAL 69 -1.699 -4.912 -4.978 507 HG13 VAL 69 3HG1 VAL 69 -0.052 -4.662 -5.549 508 HG21 VAL 69 3HG2 VAL 69 -1.883 -2.420 -4.455 509 HG22 VAL 69 1HG2 VAL 69 -1.489 -1.245 -5.702 510 HG23 VAL 69 2HG2 VAL 69 -0.218 -2.235 -5.002 511 H GLN 70 H GLN 70 -2.601 -2.882 -9.280 512 HA GLN 70 HA GLN 70 -2.499 0.081 -9.731 513 HB2 GLN 70 1HB GLN 70 -3.298 -2.053 -11.764 514 HB3 GLN 70 2HB GLN 70 -3.176 -0.315 -12.031 515 HG2 GLN 70 1HG GLN 70 -1.139 -1.246 -12.918 516 HG3 GLN 70 2HG GLN 70 -0.677 -0.512 -11.390 517 HE21 GLN 70 2HE2 GLN 70 0.907 -1.888 -10.524 518 HE22 GLN 70 1HE2 GLN 70 0.769 -3.576 -10.423 519 H TRP 71 H TRP 71 -4.395 1.160 -9.694 520 HA TRP 71 HA TRP 71 -6.940 -0.335 -9.464 521 HB2 TRP 71 1HB TRP 71 -6.140 0.067 -7.137 522 HB3 TRP 71 2HB TRP 71 -6.044 1.784 -7.464 523 HD1 TRP 71 HD1 TRP 71 -8.798 -0.932 -7.949 524 HE1 TRP 71 HE1 TRP 71 -11.058 0.091 -7.252 525 HE3 TRP 71 HE3 TRP 71 -7.254 3.705 -6.498 526 HZ2 TRP 71 HZ2 TRP 71 -12.076 2.561 -6.222 527 HZ3 TRP 71 HZ3 TRP 71 -8.876 5.377 -5.667 528 HH2 TRP 71 HH2 TRP 71 -11.287 4.811 -5.522 529 H LYS 72 H LYS 72 -8.595 0.632 -10.411 530 HA LYS 72 HA LYS 72 -8.099 3.207 -11.817 531 HB2 LYS 72 1HB LYS 72 -8.775 1.186 -13.145 532 HB3 LYS 72 2HB LYS 72 -10.312 1.155 -12.282 533 HG2 LYS 72 1HG LYS 72 -10.835 3.439 -13.116 534 HG3 LYS 72 2HG LYS 72 -9.278 3.496 -13.947 535 HD2 LYS 72 1HD LYS 72 -9.960 1.553 -15.344 536 HD3 LYS 72 2HD LYS 72 -11.525 1.523 -14.527 537 HE2 LYS 72 1HE LYS 72 -11.996 3.823 -15.337 538 HE3 LYS 72 2HE LYS 72 -10.427 3.860 -16.146 539 HZ1 LYS 72 3HZ LYS 72 -12.673 3.094 -17.329 540 HZ2 LYS 72 1HZ LYS 72 -12.124 1.591 -16.768 541 HZ3 LYS 72 2HZ LYS 72 -11.137 2.529 -17.784 542 H ALA 73 H ALA 73 -8.998 4.993 -11.041 543 HA ALA 73 HA ALA 73 -10.791 4.968 -8.793 544 HB1 ALA 73 3HB ALA 73 -9.164 6.790 -9.147 545 HB2 ALA 73 1HB ALA 73 -10.808 7.429 -9.096 546 HB3 ALA 73 2HB ALA 73 -9.978 7.245 -10.640 547 H THR 74 H THR 74 -12.983 5.200 -8.750 548 HA THR 74 HA THR 74 -14.559 6.110 -10.990 549 HB THR 74 HB THR 74 -14.127 3.892 -11.896 550 HG1 THR 74 HG1 THR 74 -16.160 3.588 -12.292 551 HG21 THR 74 3HG2 THR 74 -15.063 2.795 -9.214 552 HG22 THR 74 1HG2 THR 74 -13.403 2.757 -9.809 553 HG23 THR 74 2HG2 THR 74 -14.661 1.835 -10.632 554 H ARG 75 H ARG 75 -16.735 6.400 -10.457 555 HA ARG 75 HA ARG 75 -17.907 5.446 -8.025 556 HB2 ARG 75 1HB ARG 75 -16.321 7.152 -7.093 557 HB3 ARG 75 2HB ARG 75 -17.104 8.390 -8.071 558 HG2 ARG 75 1HG ARG 75 -19.262 7.948 -6.894 559 HG3 ARG 75 2HG ARG 75 -18.473 6.704 -5.928 560 HD2 ARG 75 1HD ARG 75 -17.702 9.646 -5.959 561 HD3 ARG 75 2HD ARG 75 -18.650 8.855 -4.698 562 HE ARG 75 HE ARG 75 -16.246 7.420 -5.028 563 HH11 ARG 75 1HH2 ARG 75 -17.367 10.528 -3.927 564 HH12 ARG 75 2HH2 ARG 75 -16.066 10.736 -2.803 565 HH21 ARG 75 1HH1 ARG 75 -14.557 7.717 -3.570 566 HH22 ARG 75 2HH1 ARG 75 -14.484 9.153 -2.605 567 H LYS 76 H LYS 76 -19.457 4.888 -9.655 568 HA LYS 76 HA LYS 76 -20.779 6.876 -11.248 569 HB2 LYS 76 1HB LYS 76 -20.730 4.437 -11.821 570 HB3 LYS 76 2HB LYS 76 -21.787 4.104 -10.452 571 HG2 LYS 76 1HG LYS 76 -23.539 5.571 -11.445 572 HG3 LYS 76 2HG LYS 76 -22.467 5.929 -12.798 573 HD2 LYS 76 1HD LYS 76 -22.471 3.517 -13.423 574 HD3 LYS 76 2HD LYS 76 -23.553 3.174 -12.071 575 HE2 LYS 76 1HE LYS 76 -24.825 3.404 -14.198 576 HE3 LYS 76 2HE LYS 76 -25.271 4.671 -13.054 577 HZ1 LYS 76 3HZ LYS 76 -23.028 5.382 -14.691 578 HZ2 LYS 76 1HZ LYS 76 -24.458 6.241 -14.383 579 HZ3 LYS 76 2HZ LYS 76 -24.424 5.064 -15.608 580 H LEU 77 H LEU 77 -22.316 8.283 -10.631 581 HA LEU 77 HA LEU 77 -24.320 7.652 -8.658 582 HB2 LEU 77 1HB LEU 77 -22.242 8.320 -7.283 583 HB3 LEU 77 2HB LEU 77 -22.431 9.937 -7.939 584 HG LEU 77 HG LEU 77 -24.952 9.723 -7.015 585 HD11 LEU 77 1HD1 LEU 77 -23.500 7.717 -5.230 586 HD12 LEU 77 2HD1 LEU 77 -24.785 7.318 -6.362 587 HD13 LEU 77 3HD1 LEU 77 -25.133 8.330 -4.970 588 HD21 LEU 77 3HD2 LEU 77 -22.590 10.106 -5.128 589 HD22 LEU 77 1HD2 LEU 77 -24.242 10.637 -4.803 590 HD23 LEU 77 2HD2 LEU 77 -23.328 11.358 -6.126 591 H ALA 78 H ALA 78 -26.120 8.530 -9.437 592 HA ALA 78 HA ALA 78 -26.178 10.441 -11.538 593 HB1 ALA 78 3HB ALA 78 -27.980 8.788 -11.145 594 HB2 ALA 78 1HB ALA 78 -28.623 10.432 -11.154 595 HB3 ALA 78 2HB ALA 78 -28.384 9.583 -9.624 596 H GLY 79 H GLY 79 -26.652 10.688 -8.028 597 HA2 GLY 79 1HA GLY 79 -27.427 13.410 -7.923 598 HA3 GLY 79 2HA GLY 79 -26.756 12.459 -6.602 599 H ARG 80 H ARG 80 -26.168 15.206 -7.165 600 HA ARG 80 HA ARG 80 -23.691 15.581 -8.502 601 HB2 ARG 80 1HB ARG 80 -24.879 17.162 -6.190 602 HB3 ARG 80 2HB ARG 80 -23.640 17.739 -7.304 603 HG2 ARG 80 1HG ARG 80 -26.489 16.979 -8.082 604 HG3 ARG 80 2HG ARG 80 -25.897 18.620 -7.878 605 HD2 ARG 80 1HD ARG 80 -24.184 18.142 -9.709 606 HD3 ARG 80 2HD ARG 80 -25.041 16.632 -10.017 607 HE ARG 80 HE ARG 80 -26.946 18.677 -10.072 608 HH11 ARG 80 1HH2 ARG 80 -24.120 17.654 -11.825 609 HH12 ARG 80 2HH2 ARG 80 -24.672 18.274 -13.346 610 HH21 ARG 80 1HH1 ARG 80 -27.667 19.477 -12.089 611 HH22 ARG 80 2HH1 ARG 80 -26.667 19.301 -13.494 612 H ALA 81 H ALA 81 -22.055 16.871 -6.720 613 HA ALA 81 HA ALA 81 -21.394 15.208 -4.446 614 HB1 ALA 81 3HB ALA 81 -20.583 13.767 -6.298 615 HB2 ALA 81 1HB ALA 81 -19.238 14.381 -5.336 616 HB3 ALA 81 2HB ALA 81 -19.601 15.098 -6.908 617 H ALA 82 H ALA 82 -19.614 16.040 -3.251 618 HA ALA 82 HA ALA 82 -18.140 18.388 -4.062 619 HB1 ALA 82 3HB ALA 82 -20.405 18.795 -2.066 620 HB2 ALA 82 1HB ALA 82 -20.366 19.430 -3.708 621 HB3 ALA 82 2HB ALA 82 -19.201 20.005 -2.518 622 H ASN 83 H ASN 83 -17.867 15.725 -2.781 623 HA ASN 83 HA ASN 83 -15.901 16.476 -0.802 624 HB2 ASN 83 1HB ASN 83 -16.984 15.227 1.085 625 HB3 ASN 83 2HB ASN 83 -17.843 16.693 0.626 626 HD21 ASN 83 2HD2 ASN 83 -18.201 13.295 1.079 627 HD22 ASN 83 1HD2 ASN 83 -19.764 13.159 0.431 628 HA PRO 84 HA PRO 84 -15.154 12.394 -2.882 629 HB2 PRO 84 1HB PRO 84 -12.403 12.493 -3.072 630 HB3 PRO 84 2HB PRO 84 -13.467 13.338 -4.216 631 HG2 PRO 84 1HG PRO 84 -11.980 14.470 -1.849 632 HG3 PRO 84 2HG PRO 84 -12.191 15.155 -3.466 633 HD2 PRO 84 1HD PRO 84 -13.716 15.943 -1.299 634 HD3 PRO 84 2HD PRO 84 -14.330 16.019 -2.968 635 H GLY 85 H GLY 85 -12.334 13.054 -0.869 636 HA2 GLY 85 1HA GLY 85 -11.498 11.983 1.011 637 HA3 GLY 85 2HA GLY 85 -13.168 11.707 1.490 638 H VAL 86 H VAL 86 -10.526 10.475 -0.499 639 HA VAL 86 HA VAL 86 -11.650 7.704 -0.340 640 HB VAL 86 HB VAL 86 -10.282 7.343 -2.479 641 HG11 VAL 86 1HG1 VAL 86 -12.748 7.574 -2.546 642 HG12 VAL 86 2HG1 VAL 86 -12.021 8.329 -3.963 643 HG13 VAL 86 3HG1 VAL 86 -12.590 9.329 -2.626 644 HG21 VAL 86 3HG2 VAL 86 -9.727 9.333 -3.833 645 HG22 VAL 86 1HG2 VAL 86 -8.871 9.416 -2.299 646 HG23 VAL 86 2HG2 VAL 86 -10.303 10.401 -2.556 647 HA PRO 87 HA PRO 87 -7.506 8.125 1.907 648 HB2 PRO 87 1HB PRO 87 -8.289 6.754 4.220 649 HB3 PRO 87 2HB PRO 87 -8.460 8.514 4.021 650 HG2 PRO 87 1HG PRO 87 -10.523 6.373 3.469 651 HG3 PRO 87 2HG PRO 87 -10.699 7.844 4.458 652 HD2 PRO 87 1HD PRO 87 -11.608 7.864 1.972 653 HD3 PRO 87 2HD PRO 87 -10.656 9.261 2.518 654 H VAL 88 H VAL 88 -5.964 6.562 1.803 655 HA VAL 88 HA VAL 88 -6.736 3.902 0.737 656 HB VAL 88 HB VAL 88 -3.980 5.210 0.831 657 HG11 VAL 88 1HG1 VAL 88 -3.927 2.729 0.586 658 HG12 VAL 88 2HG1 VAL 88 -3.441 3.515 -0.909 659 HG13 VAL 88 3HG1 VAL 88 -5.061 2.835 -0.760 660 HG21 VAL 88 3HG2 VAL 88 -4.407 5.694 -1.587 661 HG22 VAL 88 1HG2 VAL 88 -5.532 6.559 -0.545 662 HG23 VAL 88 2HG2 VAL 88 -6.058 5.111 -1.406 663 H TYR 89 H TYR 89 -6.013 2.010 1.654 664 HA TYR 89 HA TYR 89 -4.636 2.133 4.291 665 HB2 TYR 89 1HB TYR 89 -7.170 0.560 3.675 666 HB3 TYR 89 2HB TYR 89 -6.225 0.424 5.156 667 HD1 TYR 89 HD2 TYR 89 -5.873 2.514 6.621 668 HD2 TYR 89 HD1 TYR 89 -8.795 2.384 3.452 669 HE1 TYR 89 HE2 TYR 89 -7.037 4.475 7.599 670 HE2 TYR 89 HE1 TYR 89 -9.950 4.316 4.462 671 HH TYR 89 HH TYR 89 -8.687 5.930 7.379 672 H ALA 90 H ALA 90 -3.205 0.585 4.622 673 HA ALA 90 HA ALA 90 -3.093 -1.806 2.889 674 HB1 ALA 90 3HB ALA 90 -0.795 0.168 3.193 675 HB2 ALA 90 1HB ALA 90 -1.747 -0.078 1.731 676 HB3 ALA 90 2HB ALA 90 -0.724 -1.378 2.343 677 H VAL 91 H VAL 91 -2.431 -3.542 3.970 678 HA VAL 91 HA VAL 91 -0.938 -3.256 6.529 679 HB VAL 91 HB VAL 91 -3.444 -4.988 6.231 680 HG11 VAL 91 1HG1 VAL 91 -1.788 -5.870 7.864 681 HG12 VAL 91 2HG1 VAL 91 -3.190 -5.234 8.714 682 HG13 VAL 91 3HG1 VAL 91 -1.700 -4.293 8.647 683 HG21 VAL 91 3HG2 VAL 91 -4.117 -2.621 6.267 684 HG22 VAL 91 1HG2 VAL 91 -3.055 -2.298 7.637 685 HG23 VAL 91 2HG2 VAL 91 -4.475 -3.328 7.836 686 H VAL 92 H VAL 92 0.398 -4.932 7.004 687 HA VAL 92 HA VAL 92 0.986 -6.806 4.802 688 HB VAL 92 HB VAL 92 2.785 -5.397 5.869 689 HG11 VAL 92 1HG1 VAL 92 1.885 -5.564 8.241 690 HG12 VAL 92 2HG1 VAL 92 3.613 -5.888 8.102 691 HG13 VAL 92 3HG1 VAL 92 2.481 -7.221 8.301 692 HG21 VAL 92 3HG2 VAL 92 3.353 -7.504 4.686 693 HG22 VAL 92 1HG2 VAL 92 3.124 -8.412 6.180 694 HG23 VAL 92 2HG2 VAL 92 4.440 -7.250 6.049 695 H ASP 93 H ASP 93 0.974 -9.015 5.048 696 HA ASP 93 HA ASP 93 -0.097 -10.192 7.572 697 HB2 ASP 93 1HB ASP 93 -1.124 -10.739 4.779 698 HB3 ASP 93 2HB ASP 93 -1.631 -11.584 6.242 699 HA PRO 94 HA PRO 94 3.437 -12.730 5.943 700 HB2 PRO 94 1HB PRO 94 4.946 -12.933 8.199 701 HB3 PRO 94 2HB PRO 94 4.941 -11.447 7.223 702 HG2 PRO 94 1HG PRO 94 3.510 -12.002 9.813 703 HG3 PRO 94 2HG PRO 94 4.322 -10.520 9.275 704 HD2 PRO 94 1HD PRO 94 1.544 -10.956 9.103 705 HD3 PRO 94 2HD PRO 94 2.412 -9.744 8.155 706 H ASP 95 H ASP 95 2.358 -13.354 9.304 707 HA ASP 95 HA ASP 95 2.217 -16.251 8.731 708 HB2 ASP 95 1HB ASP 95 3.318 -15.358 10.817 709 HB3 ASP 95 2HB ASP 95 1.746 -14.806 11.367 710 H ASN 96 H ASN 96 0.269 -14.120 7.735 711 HA ASN 96 HA ASN 96 -1.941 -13.918 7.317 712 HB2 ASN 96 1HB ASN 96 -1.703 -16.345 6.735 713 HB3 ASN 96 2HB ASN 96 -2.164 -16.768 8.376 714 HD21 ASN 96 2HD2 ASN 96 -3.407 -14.843 5.583 715 HD22 ASN 96 1HD2 ASN 96 -5.038 -15.216 5.874 716 H ARG 97 H ARG 97 -2.563 -12.343 8.698 717 HA ARG 97 HA ARG 97 -3.510 -11.301 10.492 718 HB2 ARG 97 1HB ARG 97 -4.838 -14.011 10.891 719 HB3 ARG 97 2HB ARG 97 -5.398 -12.471 11.545 720 HG2 ARG 97 1HG ARG 97 -5.731 -11.595 9.253 721 HG3 ARG 97 2HG ARG 97 -5.125 -13.109 8.570 722 HD2 ARG 97 1HD ARG 97 -7.590 -13.103 8.563 723 HD3 ARG 97 2HD ARG 97 -6.991 -14.340 9.670 724 HE ARG 97 HE ARG 97 -7.405 -11.891 11.065 725 HH11 ARG 97 1HH2 ARG 97 -9.147 -14.522 9.591 726 HH12 ARG 97 2HH2 ARG 97 -10.529 -14.347 10.622 727 HH21 ARG 97 1HH1 ARG 97 -9.208 -11.685 12.402 728 HH22 ARG 97 2HH1 ARG 97 -10.562 -12.747 12.207 729 H VAL 98 H VAL 98 -1.590 -11.004 11.681 730 HA VAL 98 HA VAL 98 -0.599 -13.015 13.540 731 HB VAL 98 HB VAL 98 0.129 -10.064 13.263 732 HG11 VAL 98 1HG1 VAL 98 0.865 -10.966 15.445 733 HG12 VAL 98 2HG1 VAL 98 2.268 -10.789 14.396 734 HG13 VAL 98 3HG1 VAL 98 1.555 -12.382 14.648 735 HG21 VAL 98 3HG2 VAL 98 1.455 -12.524 12.081 736 HG22 VAL 98 1HG2 VAL 98 2.025 -10.870 11.908 737 HG23 VAL 98 2HG2 VAL 98 0.498 -11.361 11.180 738 H ALA 99 H ALA 99 -1.419 -9.631 14.251 739 HA ALA 99 HA ALA 99 -3.483 -10.226 16.144 740 HB1 ALA 99 3HB ALA 99 -1.542 -11.065 17.438 741 HB2 ALA 99 1HB ALA 99 -2.222 -9.623 18.191 742 HB3 ALA 99 2HB ALA 99 -0.736 -9.512 17.245 743 H GLU 100 H GLU 100 -4.270 -8.324 17.207 744 HA GLU 100 HA GLU 100 -4.347 -6.022 15.557 745 HB2 GLU 100 1HB GLU 100 -5.091 -6.308 18.494 746 HB3 GLU 100 2HB GLU 100 -5.567 -4.966 17.451 747 HG2 GLU 100 1HG GLU 100 -6.778 -6.546 15.967 748 HG3 GLU 100 2HG GLU 100 -6.307 -7.887 17.006 749 H SER 101 H SER 101 -1.859 -7.079 17.490 750 HA SER 101 HA SER 101 -0.876 -4.459 18.406 751 HB2 SER 101 1HB SER 101 -0.562 -6.455 19.818 752 HB3 SER 101 2HB SER 101 0.352 -7.237 18.533 753 HG SER 101 HG SER 101 0.998 -4.833 19.909 754 H ASP 102 H ASP 102 0.371 -7.078 16.302 755 HA ASP 102 HA ASP 102 2.535 -5.585 15.241 756 HB2 ASP 102 1HB ASP 102 2.282 -8.088 15.174 757 HB3 ASP 102 2HB ASP 102 1.075 -7.898 13.912 758 H LYS 103 H LYS 103 -0.762 -6.147 14.012 759 HA LYS 103 HA LYS 103 -0.555 -4.859 11.533 760 HB2 LYS 103 1HB LYS 103 -2.908 -5.019 13.455 761 HB3 LYS 103 2HB LYS 103 -3.047 -4.480 11.779 762 HG2 LYS 103 1HG LYS 103 -2.203 -6.672 10.993 763 HG3 LYS 103 2HG LYS 103 -2.039 -7.219 12.663 764 HD2 LYS 103 1HD LYS 103 -4.487 -6.942 12.997 765 HD3 LYS 103 2HD LYS 103 -4.654 -6.393 11.330 766 HE2 LYS 103 1HE LYS 103 -3.825 -8.586 10.521 767 HE3 LYS 103 2HE LYS 103 -3.648 -9.135 12.189 768 HZ1 LYS 103 3HZ LYS 103 -6.019 -8.902 10.576 769 HZ2 LYS 103 1HZ LYS 103 -6.192 -8.222 12.120 770 HZ3 LYS 103 2HZ LYS 103 -5.733 -9.850 11.956 771 H ALA 104 H ALA 104 -1.815 -3.416 14.563 772 HA ALA 104 HA ALA 104 -2.021 -0.779 13.708 773 HB1 ALA 104 3HB ALA 104 -1.231 -1.777 16.471 774 HB2 ALA 104 1HB ALA 104 -2.883 -1.615 15.876 775 HB3 ALA 104 2HB ALA 104 -1.885 -0.178 16.105 776 H ASN 105 H ASN 105 0.827 -2.546 14.844 777 HA ASN 105 HA ASN 105 2.590 -0.233 14.837 778 HB2 ASN 105 1HB ASN 105 3.193 -3.213 14.959 779 HB3 ASN 105 2HB ASN 105 4.343 -1.917 15.288 780 HD21 ASN 105 2HD2 ASN 105 2.337 -0.235 16.738 781 HD22 ASN 105 1HD2 ASN 105 2.070 -1.012 18.222 782 H ASN 106 H ASN 106 1.063 -1.081 12.335 783 HA ASN 106 HA ASN 106 3.158 -0.532 10.444 784 HB2 ASN 106 1HB ASN 106 3.539 -2.992 10.867 785 HB3 ASN 106 2HB ASN 106 1.915 -3.317 10.274 786 HD21 ASN 106 2HD2 ASN 106 1.696 -3.561 8.008 787 HD22 ASN 106 1HD2 ASN 106 2.915 -3.187 6.887 788 H VAL 107 H VAL 107 0.799 0.769 11.053 789 HA VAL 107 HA VAL 107 -0.988 0.257 8.708 790 HB VAL 107 HB VAL 107 -2.083 0.105 10.940 791 HG11 VAL 107 1HG1 VAL 107 -2.328 2.051 12.388 792 HG12 VAL 107 2HG1 VAL 107 -1.480 3.086 11.243 793 HG13 VAL 107 3HG1 VAL 107 -0.605 1.821 12.094 794 HG21 VAL 107 3HG2 VAL 107 -3.376 0.883 8.937 795 HG22 VAL 107 1HG2 VAL 107 -2.984 2.554 9.345 796 HG23 VAL 107 2HG2 VAL 107 -3.984 1.594 10.430 797 H PHE 108 H PHE 108 -1.334 1.839 7.259 798 HA PHE 108 HA PHE 108 -0.341 4.581 7.730 799 HB2 PHE 108 1HB PHE 108 0.607 2.892 5.373 800 HB3 PHE 108 2HB PHE 108 1.030 4.573 5.697 801 HD1 PHE 108 HD1 PHE 108 2.045 5.065 8.115 802 HD2 PHE 108 HD2 PHE 108 2.113 1.184 6.221 803 HE1 PHE 108 HE1 PHE 108 3.931 4.378 9.562 804 HE2 PHE 108 HE2 PHE 108 3.991 0.513 7.688 805 HZ PHE 108 HZ PHE 108 4.901 2.107 9.355 806 H SER 109 H SER 109 -1.176 6.100 6.286 807 HA SER 109 HA SER 109 -2.991 5.390 4.161 808 HB2 SER 109 1HB SER 109 -4.168 6.509 6.734 809 HB3 SER 109 2HB SER 109 -5.042 6.300 5.219 810 HG SER 109 HG SER 109 -4.185 4.001 5.493 811 H ARG 110 H ARG 110 -3.548 7.145 2.910 812 HA ARG 110 HA ARG 110 -2.693 9.856 3.768 813 HB2 ARG 110 1HB ARG 110 -0.770 8.775 2.587 814 HB3 ARG 110 2HB ARG 110 -1.789 8.552 1.168 815 HG2 ARG 110 1HG ARG 110 -2.118 11.040 1.036 816 HG3 ARG 110 2HG ARG 110 -1.074 11.229 2.440 817 HD2 ARG 110 1HD ARG 110 0.781 10.138 1.156 818 HD3 ARG 110 2HD ARG 110 -0.279 10.091 -0.262 819 HE ARG 110 HE ARG 110 -0.210 12.738 0.718 820 HH11 ARG 110 1HH2 ARG 110 1.883 10.394 -0.770 821 HH12 ARG 110 2HH2 ARG 110 2.871 11.582 -1.553 822 HH21 ARG 110 1HH1 ARG 110 1.082 14.281 -0.308 823 HH22 ARG 110 2HH1 ARG 110 2.418 13.781 -1.291 824 H ILE 111 H ILE 111 -4.061 11.376 3.150 825 HA ILE 111 HA ILE 111 -6.442 10.656 1.626 826 HB ILE 111 HB ILE 111 -5.557 13.279 2.926 827 HG12 ILE 111 1HG1 ILE 111 -7.417 12.724 4.558 828 HG13 ILE 111 2HG1 ILE 111 -7.624 11.178 3.749 829 HG21 ILE 111 1HG2 ILE 111 -7.067 13.895 1.112 830 HG22 ILE 111 2HG2 ILE 111 -8.028 13.929 2.586 831 HG23 ILE 111 3HG2 ILE 111 -8.153 12.556 1.485 832 HD11 ILE 111 3HD1 ILE 111 -5.664 10.308 4.640 833 HD12 ILE 111 1HD1 ILE 111 -6.152 11.386 5.935 834 HD13 ILE 111 2HD1 ILE 111 -4.885 11.884 4.820 835 H VAL 112 H VAL 112 -6.574 10.823 -0.501 836 HA VAL 112 HA VAL 112 -4.576 12.403 -2.036 837 HB VAL 112 HB VAL 112 -6.595 10.366 -3.093 838 HG11 VAL 112 1HG1 VAL 112 -5.666 11.931 -4.796 839 HG12 VAL 112 2HG1 VAL 112 -5.053 10.303 -5.049 840 HG13 VAL 112 3HG1 VAL 112 -4.030 11.523 -4.288 841 HG21 VAL 112 3HG2 VAL 112 -4.708 8.764 -3.096 842 HG22 VAL 112 1HG2 VAL 112 -5.051 9.296 -1.456 843 HG23 VAL 112 2HG2 VAL 112 -3.670 9.962 -2.324 844 H LYS 113 H LYS 113 -5.147 14.139 -3.224 845 HA LYS 113 HA LYS 113 -8.040 14.799 -3.541 846 HB2 LYS 113 1HB LYS 113 -6.859 16.052 -1.599 847 HB3 LYS 113 2HB LYS 113 -5.951 16.918 -2.834 848 HG2 LYS 113 1HG LYS 113 -8.097 17.685 -3.853 849 HG3 LYS 113 2HG LYS 113 -8.994 16.819 -2.605 850 HD2 LYS 113 1HD LYS 113 -7.901 18.235 -0.857 851 HD3 LYS 113 2HD LYS 113 -7.073 19.135 -2.127 852 HE2 LYS 113 1HE LYS 113 -9.280 19.798 -3.079 853 HE3 LYS 113 2HE LYS 113 -10.087 18.922 -1.774 854 HZ1 LYS 113 3HZ LYS 113 -9.930 21.249 -1.241 855 HZ2 LYS 113 1HZ LYS 113 -8.250 21.236 -1.470 856 HZ3 LYS 113 2HZ LYS 113 -8.938 20.363 -0.185 857 H VAL 114 H VAL 114 -8.555 15.175 -5.557 858 HA VAL 114 HA VAL 114 -6.529 16.162 -7.511 859 HB VAL 114 HB VAL 114 -7.583 14.655 -9.194 860 HG11 VAL 114 1HG1 VAL 114 -5.549 13.920 -7.972 861 HG12 VAL 114 2HG1 VAL 114 -6.589 12.544 -8.337 862 HG13 VAL 114 3HG1 VAL 114 -6.558 13.218 -6.708 863 HG21 VAL 114 3HG2 VAL 114 -9.822 14.365 -8.180 864 HG22 VAL 114 1HG2 VAL 114 -9.110 13.554 -6.786 865 HG23 VAL 114 2HG2 VAL 114 -9.062 12.790 -8.376 866 H LEU 115 H LEU 115 -7.162 17.740 -8.805 867 HA LEU 115 HA LEU 115 -10.017 18.645 -8.780 868 HB2 LEU 115 1HB LEU 115 -7.497 20.348 -8.743 869 HB3 LEU 115 2HB LEU 115 -9.144 20.965 -8.830 870 HG LEU 115 HG LEU 115 -8.048 19.303 -6.506 871 HD11 LEU 115 1HD1 LEU 115 -8.064 21.436 -5.227 872 HD12 LEU 115 2HD1 LEU 115 -8.543 22.303 -6.688 873 HD13 LEU 115 3HD1 LEU 115 -6.964 21.522 -6.605 874 HD21 LEU 115 3HD2 LEU 115 -10.432 19.007 -6.498 875 HD22 LEU 115 1HD2 LEU 115 -10.739 20.673 -6.979 876 HD23 LEU 115 2HD2 LEU 115 -10.175 20.302 -5.351 877 H GLU 116 H GLU 116 -10.913 18.734 -10.691 878 HA GLU 116 HA GLU 116 -9.375 18.278 -13.122 879 HB2 GLU 116 1HB GLU 116 -11.622 18.247 -14.195 880 HB3 GLU 116 2HB GLU 116 -11.521 17.152 -12.822 881 HG2 GLU 116 1HG GLU 116 -12.642 18.835 -11.378 882 HG3 GLU 116 2HG GLU 116 -12.762 19.930 -12.749 883 H HIS 117 H HIS 117 -10.851 20.950 -11.443 884 HA HIS 117 HA HIS 117 -10.974 22.784 -13.639 885 HB2 HIS 117 1HB HIS 117 -10.813 23.284 -10.638 886 HB3 HIS 117 2HB HIS 117 -11.278 24.477 -11.854 887 HD1 HIS 117 HD1 HIS 117 -13.396 23.534 -13.445 888 HD2 HIS 117 HD2 HIS 117 -13.005 21.990 -9.593 889 HE1 HIS 117 HE1 HIS 117 -15.644 22.538 -12.841 890 HE2 HIS 117 HE2 HIS 117 -15.422 21.592 -10.494 891 H HIS 118 H HIS 118 -9.671 24.763 -13.717 892 HA HIS 118 HA HIS 118 -7.664 25.759 -14.130 893 HB2 HIS 118 1HB HIS 118 -7.812 25.844 -11.576 894 HB3 HIS 118 2HB HIS 118 -6.737 24.452 -11.528 895 HD1 HIS 118 HD1 HIS 118 -5.801 26.491 -14.347 896 HD2 HIS 118 HD2 HIS 118 -5.046 26.677 -10.253 897 HE1 HIS 118 HE1 HIS 118 -3.862 28.084 -14.053 898 HE2 HIS 118 HE2 HIS 118 -3.383 28.209 -11.564 899 H HIS 119 H HIS 119 -7.194 24.528 -15.980 900 HA HIS 119 HA HIS 119 -5.765 22.005 -15.871 901 HB2 HIS 119 1HB HIS 119 -6.190 23.941 -18.186 902 HB3 HIS 119 2HB HIS 119 -5.636 22.270 -18.324 903 HD1 HIS 119 HD1 HIS 119 -7.409 20.436 -17.286 904 HD2 HIS 119 HD2 HIS 119 -8.945 24.192 -18.246 905 HE1 HIS 119 HE1 HIS 119 -9.924 20.171 -17.414 906 HE2 HIS 119 HE2 HIS 119 -10.876 22.452 -17.998 907 H HIS 120 H HIS 120 -4.699 24.699 -14.706 908 HA HIS 120 HA HIS 120 -2.685 25.766 -14.462 909 HB2 HIS 120 1HB HIS 120 -1.607 23.086 -15.418 910 HB3 HIS 120 2HB HIS 120 -0.689 24.316 -14.549 911 HD1 HIS 120 HD1 HIS 120 -1.544 24.853 -12.052 912 HD2 HIS 120 HD2 HIS 120 -3.115 21.397 -13.779 913 HE1 HIS 120 HE1 HIS 120 -2.547 23.499 -10.161 914 HE2 HIS 120 HE2 HIS 120 -3.509 21.389 -11.197 915 H HIS 121 H HIS 121 -0.353 25.905 -15.765 916 HA HIS 121 HA HIS 121 0.647 26.917 -17.554 917 HB2 HIS 121 1HB HIS 121 0.313 24.591 -18.446 918 HB3 HIS 121 2HB HIS 121 -1.197 25.116 -19.182 919 HD1 HIS 121 HD1 HIS 121 -1.047 26.453 -21.357 920 HD2 HIS 121 HD2 HIS 121 2.673 25.804 -19.595 921 HE1 HIS 121 HE1 HIS 121 0.684 27.247 -23.027 922 HE2 HIS 121 HE2 HIS 121 2.959 26.857 -21.966 923 H HIS 122 H HIS 122 -2.114 27.859 -16.538 924 HA HIS 122 HA HIS 122 -3.512 29.065 -18.703 925 HB2 HIS 122 1HB HIS 122 -4.489 28.719 -16.435 926 HB3 HIS 122 2HB HIS 122 -3.409 29.950 -15.788 927 HD1 HIS 122 HD1 HIS 122 -6.007 29.664 -18.581 928 HD2 HIS 122 HD2 HIS 122 -4.570 32.473 -15.856 929 HE1 HIS 122 HE1 HIS 122 -7.356 31.775 -18.949 930 HE2 HIS 122 HE2 HIS 122 -6.494 33.497 -17.295 Start of MODEL 10 1 H1 MET 1 1H MET 1 12.825 12.962 3.083 2 H2 MET 1 2H MET 1 12.281 14.216 4.091 3 H3 MET 1 3H MET 1 12.585 14.515 2.446 4 HA MET 1 HA MET 1 10.231 13.499 3.715 5 HB2 MET 1 1HB MET 1 10.924 14.510 0.924 6 HB3 MET 1 2HB MET 1 9.279 14.201 1.483 7 HG2 MET 1 1HG MET 1 9.581 15.874 3.295 8 HG3 MET 1 2HG MET 1 11.220 16.193 2.724 9 HE1 MET 1 3HE MET 1 11.019 18.674 2.291 10 HE2 MET 1 1HE MET 1 9.472 18.538 3.135 11 HE3 MET 1 2HE MET 1 9.582 19.450 1.632 12 H ASP 2 H ASP 2 9.416 11.486 3.561 13 HA ASP 2 HA ASP 2 9.672 9.794 1.260 14 HB2 ASP 2 1HB ASP 2 11.979 9.554 2.231 15 HB3 ASP 2 2HB ASP 2 11.269 8.961 3.725 16 H LEU 3 H LEU 3 7.374 10.097 1.782 17 HA LEU 3 HA LEU 3 6.263 9.028 4.149 18 HB2 LEU 3 1HB LEU 3 5.105 9.853 1.515 19 HB3 LEU 3 2HB LEU 3 4.064 9.029 2.668 20 HG LEU 3 HG LEU 3 3.903 11.507 2.820 21 HD11 LEU 3 1HD1 LEU 3 3.727 11.699 5.118 22 HD12 LEU 3 2HD1 LEU 3 5.095 10.644 5.453 23 HD13 LEU 3 3HD1 LEU 3 3.571 9.965 4.876 24 HD21 LEU 3 3HD2 LEU 3 5.717 12.883 3.657 25 HD22 LEU 3 1HD2 LEU 3 6.302 12.007 2.242 26 HD23 LEU 3 2HD2 LEU 3 6.753 11.474 3.863 27 HA PRO 4 HA PRO 4 6.512 4.619 3.356 28 HB2 PRO 4 1HB PRO 4 3.723 4.489 4.561 29 HB3 PRO 4 2HB PRO 4 5.152 3.500 4.953 30 HG2 PRO 4 1HG PRO 4 4.449 5.446 6.586 31 HG3 PRO 4 2HG PRO 4 6.164 5.260 6.160 32 HD2 PRO 4 1HD PRO 4 4.159 7.276 5.042 33 HD3 PRO 4 2HD PRO 4 5.831 7.520 5.584 34 H ILE 5 H ILE 5 3.598 6.370 2.476 35 HA ILE 5 HA ILE 5 3.004 4.456 0.242 36 HB ILE 5 HB ILE 5 1.157 6.418 1.674 37 HG12 ILE 5 1HG1 ILE 5 1.130 3.351 1.734 38 HG13 ILE 5 2HG1 ILE 5 1.879 4.321 2.989 39 HG21 ILE 5 1HG2 ILE 5 0.612 4.367 -0.531 40 HG22 ILE 5 2HG2 ILE 5 0.465 6.115 -0.686 41 HG23 ILE 5 3HG2 ILE 5 -0.648 5.233 0.346 42 HD11 ILE 5 3HD1 ILE 5 -0.252 5.409 3.478 43 HD12 ILE 5 1HD1 ILE 5 -0.384 3.659 3.630 44 HD13 ILE 5 2HD1 ILE 5 -1.040 4.468 2.208 45 H THR 6 H THR 6 3.263 5.168 -1.765 46 HA THR 6 HA THR 6 3.239 8.100 -2.354 47 HB THR 6 HB THR 6 5.259 6.133 -3.525 48 HG1 THR 6 HG1 THR 6 6.641 7.649 -2.192 49 HG21 THR 6 3HG2 THR 6 5.047 9.172 -3.646 50 HG22 THR 6 1HG2 THR 6 4.742 8.070 -4.990 51 HG23 THR 6 2HG2 THR 6 6.363 8.215 -4.317 52 H LEU 7 H LEU 7 1.774 8.524 -3.820 53 HA LEU 7 HA LEU 7 0.790 6.418 -5.672 54 HB2 LEU 7 1HB LEU 7 -0.432 9.103 -4.953 55 HB3 LEU 7 2HB LEU 7 -1.218 7.774 -5.807 56 HG LEU 7 HG LEU 7 -0.285 7.763 -2.892 57 HD11 LEU 7 1HD1 LEU 7 -2.314 9.076 -3.275 58 HD12 LEU 7 2HD1 LEU 7 -2.692 7.614 -2.374 59 HD13 LEU 7 3HD1 LEU 7 -3.070 7.709 -4.094 60 HD21 LEU 7 3HD2 LEU 7 -1.468 5.529 -4.592 61 HD22 LEU 7 1HD2 LEU 7 -1.579 5.514 -2.828 62 HD23 LEU 7 2HD2 LEU 7 -0.006 5.494 -3.608 63 H SER 8 H SER 8 0.662 6.785 -7.885 64 HA SER 8 HA SER 8 2.512 8.820 -8.983 65 HB2 SER 8 1HB SER 8 2.808 6.505 -9.747 66 HB3 SER 8 2HB SER 8 1.130 6.447 -10.285 67 HG SER 8 HG SER 8 1.581 7.894 -11.856 68 H LYS 9 H LYS 9 0.991 10.548 -8.452 69 HA LYS 9 HA LYS 9 -1.239 10.875 -10.385 70 HB2 LYS 9 1HB LYS 9 -1.975 12.634 -8.525 71 HB3 LYS 9 2HB LYS 9 -2.322 10.919 -8.315 72 HG2 LYS 9 1HG LYS 9 -1.440 11.884 -6.231 73 HG3 LYS 9 2HG LYS 9 -0.335 10.668 -6.858 74 HD2 LYS 9 1HD LYS 9 1.130 12.431 -7.772 75 HD3 LYS 9 2HD LYS 9 -0.008 13.673 -7.248 76 HE2 LYS 9 1HE LYS 9 0.372 13.019 -4.896 77 HE3 LYS 9 2HE LYS 9 1.472 11.740 -5.417 78 HZ1 LYS 9 3HZ LYS 9 2.477 13.879 -6.679 79 HZ2 LYS 9 1HZ LYS 9 3.021 13.313 -5.176 80 HZ3 LYS 9 2HZ LYS 9 1.905 14.592 -5.246 81 H GLU 10 H GLU 10 0.919 11.389 -11.637 82 HA GLU 10 HA GLU 10 2.296 13.784 -11.294 83 HB2 GLU 10 1HB GLU 10 2.844 11.972 -12.949 84 HB3 GLU 10 2HB GLU 10 1.510 12.527 -13.951 85 HG2 GLU 10 1HG GLU 10 3.578 13.494 -14.821 86 HG3 GLU 10 2HG GLU 10 2.641 14.795 -14.100 87 H THR 11 H THR 11 -0.879 13.221 -12.680 88 HA THR 11 HA THR 11 -1.315 16.167 -12.900 89 HB THR 11 HB THR 11 -1.239 15.412 -15.162 90 HG1 THR 11 HG1 THR 11 -3.782 15.215 -15.417 91 HG21 THR 11 3HG2 THR 11 -2.516 13.469 -15.984 92 HG22 THR 11 1HG2 THR 11 -3.086 13.133 -14.360 93 HG23 THR 11 2HG2 THR 11 -1.376 12.967 -14.743 94 HA PRO 12 HA PRO 12 -4.765 14.946 -10.205 95 HB2 PRO 12 1HB PRO 12 -5.827 17.342 -9.595 96 HB3 PRO 12 2HB PRO 12 -4.162 16.957 -9.084 97 HG2 PRO 12 1HG PRO 12 -5.038 18.531 -11.514 98 HG3 PRO 12 2HG PRO 12 -3.863 18.991 -10.267 99 HD2 PRO 12 1HD PRO 12 -3.064 17.839 -12.645 100 HD3 PRO 12 2HD PRO 12 -2.184 17.559 -11.120 101 H PHE 13 H PHE 13 -6.208 13.787 -11.431 102 HA PHE 13 HA PHE 13 -8.551 15.090 -12.427 103 HB2 PHE 13 1HB PHE 13 -6.814 15.455 -14.330 104 HB3 PHE 13 2HB PHE 13 -6.912 13.729 -14.621 105 HD1 PHE 13 HD2 PHE 13 -8.840 16.920 -14.605 106 HD2 PHE 13 HD1 PHE 13 -8.922 12.745 -15.678 107 HE1 PHE 13 HE2 PHE 13 -10.914 17.293 -15.911 108 HE2 PHE 13 HE1 PHE 13 -10.999 13.131 -16.980 109 HZ PHE 13 HZ PHE 13 -11.993 15.401 -17.097 110 H GLU 14 H GLU 14 -10.082 13.724 -11.812 111 HA GLU 14 HA GLU 14 -9.728 11.072 -11.023 112 HB2 GLU 14 1HB GLU 14 -11.693 12.708 -10.540 113 HB3 GLU 14 2HB GLU 14 -12.381 12.153 -12.060 114 HG2 GLU 14 1HG GLU 14 -13.376 10.791 -10.314 115 HG3 GLU 14 2HG GLU 14 -12.211 9.756 -11.141 116 H GLY 15 H GLY 15 -10.340 9.059 -11.970 117 HA2 GLY 15 1HA GLY 15 -10.914 7.599 -13.740 118 HA3 GLY 15 2HA GLY 15 -10.838 8.930 -14.884 119 H GLU 16 H GLU 16 -8.188 9.711 -13.553 120 HA GLU 16 HA GLU 16 -6.475 8.277 -15.395 121 HB2 GLU 16 1HB GLU 16 -5.819 10.218 -13.141 122 HB3 GLU 16 2HB GLU 16 -4.609 9.570 -14.246 123 HG2 GLU 16 1HG GLU 16 -7.028 11.214 -15.102 124 HG3 GLU 16 2HG GLU 16 -5.392 11.841 -14.919 125 H GLU 17 H GLU 17 -5.460 6.429 -15.087 126 HA GLU 17 HA GLU 17 -5.762 4.886 -12.719 127 HB2 GLU 17 1HB GLU 17 -5.400 3.942 -15.019 128 HB3 GLU 17 2HB GLU 17 -3.725 4.490 -14.960 129 HG2 GLU 17 1HG GLU 17 -3.338 3.068 -12.953 130 HG3 GLU 17 2HG GLU 17 -5.014 2.533 -13.005 131 H ILE 18 H ILE 18 -4.544 4.799 -10.914 132 HA ILE 18 HA ILE 18 -1.906 6.231 -10.832 133 HB ILE 18 HB ILE 18 -2.420 6.667 -8.404 134 HG12 ILE 18 1HG1 ILE 18 -5.279 5.839 -9.139 135 HG13 ILE 18 2HG1 ILE 18 -4.191 4.839 -8.186 136 HG21 ILE 18 1HG2 ILE 18 -2.764 8.422 -10.123 137 HG22 ILE 18 2HG2 ILE 18 -3.974 8.558 -8.853 138 HG23 ILE 18 3HG2 ILE 18 -4.406 7.837 -10.401 139 HD11 ILE 18 3HD1 ILE 18 -5.148 7.620 -7.425 140 HD12 ILE 18 1HD1 ILE 18 -4.009 6.648 -6.493 141 HD13 ILE 18 2HD1 ILE 18 -5.671 6.107 -6.699 142 H THR 19 H THR 19 -0.257 5.307 -9.704 143 HA THR 19 HA THR 19 -0.450 2.389 -9.320 144 HB THR 19 HB THR 19 1.973 4.238 -9.323 145 HG1 THR 19 HG1 THR 19 2.169 3.708 -11.407 146 HG21 THR 19 3HG2 THR 19 1.707 1.203 -9.385 147 HG22 THR 19 1HG2 THR 19 2.500 2.166 -8.136 148 HG23 THR 19 2HG2 THR 19 3.196 2.067 -9.752 149 H VAL 20 H VAL 20 -0.782 1.611 -7.346 150 HA VAL 20 HA VAL 20 -0.237 3.304 -4.956 151 HB VAL 20 HB VAL 20 -1.811 0.688 -5.112 152 HG11 VAL 20 1HG1 VAL 20 -2.778 1.541 -2.965 153 HG12 VAL 20 2HG1 VAL 20 -1.684 2.914 -3.020 154 HG13 VAL 20 3HG1 VAL 20 -1.041 1.281 -2.837 155 HG21 VAL 20 3HG2 VAL 20 -3.838 2.136 -5.127 156 HG22 VAL 20 1HG2 VAL 20 -2.867 2.392 -6.572 157 HG23 VAL 20 2HG2 VAL 20 -2.818 3.565 -5.259 158 H SER 21 H SER 21 1.585 2.927 -3.855 159 HA SER 21 HA SER 21 2.832 0.206 -3.866 160 HB2 SER 21 1HB SER 21 5.011 1.358 -3.705 161 HB3 SER 21 2HB SER 21 4.183 1.809 -5.184 162 HG SER 21 HG SER 21 5.124 3.426 -3.430 163 H ALA 22 H ALA 22 3.256 -0.629 -1.937 164 HA ALA 22 HA ALA 22 3.023 1.066 0.526 165 HB1 ALA 22 3HB ALA 22 2.088 -1.771 0.006 166 HB2 ALA 22 1HB ALA 22 1.057 -0.365 0.243 167 HB3 ALA 22 2HB ALA 22 2.040 -0.972 1.579 168 H ARG 23 H ARG 23 4.892 1.152 1.574 169 HA ARG 23 HA ARG 23 7.042 -0.782 1.054 170 HB2 ARG 23 1HB ARG 23 6.936 1.682 2.841 171 HB3 ARG 23 2HB ARG 23 8.381 0.714 2.528 172 HG2 ARG 23 1HG ARG 23 8.159 1.212 0.086 173 HG3 ARG 23 2HG ARG 23 6.761 2.225 0.433 174 HD2 ARG 23 1HD ARG 23 8.183 3.685 1.848 175 HD3 ARG 23 2HD ARG 23 9.576 2.666 1.496 176 HE ARG 23 HE ARG 23 8.322 3.624 -0.908 177 HH11 ARG 23 1HH2 ARG 23 10.434 4.523 1.701 178 HH12 ARG 23 2HH2 ARG 23 11.266 5.735 0.785 179 HH21 ARG 23 1HH1 ARG 23 9.414 5.225 -2.097 180 HH22 ARG 23 2HH1 ARG 23 10.684 6.137 -1.355 181 H VAL 24 H VAL 24 7.330 -2.552 2.234 182 HA VAL 24 HA VAL 24 6.075 -2.795 4.932 183 HB VAL 24 HB VAL 24 6.111 -5.195 4.549 184 HG11 VAL 24 1HG1 VAL 24 4.484 -5.301 2.705 185 HG12 VAL 24 2HG1 VAL 24 5.049 -3.756 2.077 186 HG13 VAL 24 3HG1 VAL 24 4.213 -3.824 3.623 187 HG21 VAL 24 3HG2 VAL 24 6.784 -6.110 2.266 188 HG22 VAL 24 1HG2 VAL 24 8.140 -5.549 3.237 189 HG23 VAL 24 2HG2 VAL 24 7.511 -4.545 1.941 190 H THR 25 H THR 25 7.362 -2.937 6.659 191 HA THR 25 HA THR 25 10.289 -2.995 6.308 192 HB THR 25 HB THR 25 8.618 -2.608 8.831 193 HG1 THR 25 HG1 THR 25 8.221 -0.981 7.362 194 HG21 THR 25 3HG2 THR 25 10.955 -3.261 9.326 195 HG22 THR 25 1HG2 THR 25 10.710 -1.555 9.692 196 HG23 THR 25 2HG2 THR 25 11.547 -2.025 8.215 197 H ASN 26 H ASN 26 11.418 -4.833 6.510 198 HA ASN 26 HA ASN 26 10.182 -7.320 7.292 199 HB2 ASN 26 1HB ASN 26 11.992 -7.114 5.582 200 HB3 ASN 26 2HB ASN 26 13.143 -6.735 6.845 201 HD21 ASN 26 2HD2 ASN 26 13.531 -9.042 5.248 202 HD22 ASN 26 1HD2 ASN 26 13.265 -10.428 6.188 203 H ARG 27 H ARG 27 9.813 -7.838 9.361 204 HA ARG 27 HA ARG 27 11.699 -6.940 11.511 205 HB2 ARG 27 1HB ARG 27 8.729 -7.613 11.639 206 HB3 ARG 27 2HB ARG 27 9.734 -7.147 13.016 207 HG2 ARG 27 1HG ARG 27 10.213 -4.962 11.917 208 HG3 ARG 27 2HG ARG 27 9.195 -5.428 10.556 209 HD2 ARG 27 1HD ARG 27 7.916 -3.990 12.078 210 HD3 ARG 27 2HD ARG 27 7.251 -5.623 12.117 211 HE ARG 27 HE ARG 27 7.900 -5.787 14.338 212 HH11 ARG 27 1HH2 ARG 27 9.624 -3.174 12.817 213 HH12 ARG 27 2HH2 ARG 27 10.385 -2.651 14.283 214 HH21 ARG 27 1HH1 ARG 27 8.899 -5.095 16.243 215 HH22 ARG 27 2HH1 ARG 27 9.976 -3.737 16.218 216 H GLY 28 H GLY 28 13.091 -8.670 11.500 217 HA2 GLY 28 1HA GLY 28 12.228 -11.059 12.857 218 HA3 GLY 28 2HA GLY 28 12.617 -11.352 11.161 219 H ALA 29 H ALA 29 13.971 -12.352 13.526 220 HA ALA 29 HA ALA 29 16.510 -10.942 13.777 221 HB1 ALA 29 3HB ALA 29 15.629 -13.681 14.767 222 HB2 ALA 29 1HB ALA 29 15.515 -12.176 15.677 223 HB3 ALA 29 2HB ALA 29 17.099 -12.833 15.254 224 H ALA 30 H ALA 30 15.233 -12.706 11.332 225 HA ALA 30 HA ALA 30 17.876 -13.444 10.254 226 HB1 ALA 30 3HB ALA 30 15.605 -15.452 10.535 227 HB2 ALA 30 1HB ALA 30 17.112 -15.476 11.448 228 HB3 ALA 30 2HB ALA 30 17.135 -15.737 9.703 229 H GLU 31 H GLU 31 17.636 -14.236 7.967 230 HA GLU 31 HA GLU 31 16.182 -12.305 6.442 231 HB2 GLU 31 1HB GLU 31 17.581 -14.868 5.561 232 HB3 GLU 31 2HB GLU 31 16.972 -13.628 4.468 233 HG2 GLU 31 1HG GLU 31 19.351 -13.219 4.775 234 HG3 GLU 31 2HG GLU 31 18.485 -11.945 5.630 235 H ALA 32 H ALA 32 14.119 -12.354 5.786 236 HA ALA 32 HA ALA 32 12.546 -14.895 5.871 237 HB1 ALA 32 3HB ALA 32 11.823 -13.171 7.499 238 HB2 ALA 32 1HB ALA 32 10.594 -13.432 6.259 239 HB3 ALA 32 2HB ALA 32 11.636 -12.007 6.190 240 H HIS 33 H HIS 33 10.855 -15.089 4.284 241 HA HIS 33 HA HIS 33 10.806 -13.356 1.958 242 HB2 HIS 33 1HB HIS 33 11.454 -15.313 0.405 243 HB3 HIS 33 2HB HIS 33 12.777 -14.569 1.303 244 HD1 HIS 33 HD1 HIS 33 10.577 -16.707 3.363 245 HD2 HIS 33 HD2 HIS 33 14.071 -17.142 1.154 246 HE1 HIS 33 HE1 HIS 33 11.622 -18.884 4.121 247 HE2 HIS 33 HE2 HIS 33 13.759 -19.175 2.778 248 H ASN 34 H ASN 34 8.647 -13.189 2.409 249 HA ASN 34 HA ASN 34 6.748 -14.592 1.098 250 HB2 ASN 34 1HB ASN 34 5.641 -16.107 2.917 251 HB3 ASN 34 2HB ASN 34 7.082 -16.754 2.168 252 HD21 ASN 34 2HD2 ASN 34 6.055 -14.853 5.046 253 HD22 ASN 34 1HD2 ASN 34 7.300 -15.422 6.050 254 H VAL 35 H VAL 35 6.788 -12.046 1.639 255 HA VAL 35 HA VAL 35 4.769 -11.502 3.766 256 HB VAL 35 HB VAL 35 6.824 -9.642 2.512 257 HG11 VAL 35 1HG1 VAL 35 4.865 -9.240 4.828 258 HG12 VAL 35 2HG1 VAL 35 4.777 -8.441 3.259 259 HG13 VAL 35 3HG1 VAL 35 6.112 -8.089 4.345 260 HG21 VAL 35 3HG2 VAL 35 7.891 -9.777 4.807 261 HG22 VAL 35 1HG2 VAL 35 7.885 -11.343 3.995 262 HG23 VAL 35 2HG2 VAL 35 6.711 -10.996 5.263 263 HA PRO 36 HA PRO 36 2.727 -10.559 -0.299 264 HB2 PRO 36 1HB PRO 36 0.405 -11.902 -0.028 265 HB3 PRO 36 2HB PRO 36 1.917 -12.792 -0.327 266 HG2 PRO 36 1HG PRO 36 0.519 -12.333 2.306 267 HG3 PRO 36 2HG PRO 36 1.146 -13.853 1.635 268 HD2 PRO 36 1HD PRO 36 2.587 -12.317 3.422 269 HD3 PRO 36 2HD PRO 36 3.382 -13.345 2.226 270 H VAL 37 H VAL 37 2.489 -8.393 0.113 271 HA VAL 37 HA VAL 37 0.881 -7.320 2.218 272 HB VAL 37 HB VAL 37 2.784 -6.124 1.156 273 HG11 VAL 37 1HG1 VAL 37 2.349 -6.790 -1.210 274 HG12 VAL 37 2HG1 VAL 37 2.580 -5.053 -1.028 275 HG13 VAL 37 3HG1 VAL 37 0.958 -5.704 -1.242 276 HG21 VAL 37 3HG2 VAL 37 0.150 -4.618 0.890 277 HG22 VAL 37 1HG2 VAL 37 1.741 -3.901 1.132 278 HG23 VAL 37 2HG2 VAL 37 1.014 -4.870 2.408 279 H ALA 38 H ALA 38 -1.199 -6.519 2.154 280 HA ALA 38 HA ALA 38 -2.846 -7.011 -0.291 281 HB1 ALA 38 3HB ALA 38 -4.646 -7.726 1.247 282 HB2 ALA 38 1HB ALA 38 -3.563 -7.506 2.628 283 HB3 ALA 38 2HB ALA 38 -3.222 -8.752 1.431 284 H VAL 39 H VAL 39 -3.645 -5.126 -0.989 285 HA VAL 39 HA VAL 39 -4.183 -2.915 0.937 286 HB VAL 39 HB VAL 39 -3.703 -2.752 -2.075 287 HG11 VAL 39 1HG1 VAL 39 -3.820 -0.612 0.100 288 HG12 VAL 39 2HG1 VAL 39 -5.039 -0.871 -1.147 289 HG13 VAL 39 3HG1 VAL 39 -3.432 -0.327 -1.591 290 HG21 VAL 39 3HG2 VAL 39 -1.803 -2.199 0.248 291 HG22 VAL 39 1HG2 VAL 39 -1.461 -1.862 -1.449 292 HG23 VAL 39 2HG2 VAL 39 -1.657 -3.524 -0.907 293 H TYR 40 H TYR 40 -6.150 -1.943 0.920 294 HA TYR 40 HA TYR 40 -8.199 -2.659 -1.055 295 HB2 TYR 40 1HB TYR 40 -9.786 -3.408 0.757 296 HB3 TYR 40 2HB TYR 40 -8.431 -4.509 0.505 297 HD1 TYR 40 HD1 TYR 40 -6.516 -4.591 2.115 298 HD2 TYR 40 HD2 TYR 40 -9.962 -2.104 2.869 299 HE1 TYR 40 HE1 TYR 40 -5.818 -4.315 4.483 300 HE2 TYR 40 HE2 TYR 40 -9.248 -1.844 5.226 301 HH TYR 40 HH TYR 40 -6.983 -1.969 6.481 302 H LEU 41 H LEU 41 -9.316 -0.888 -1.507 303 HA LEU 41 HA LEU 41 -8.986 1.547 0.031 304 HB2 LEU 41 1HB LEU 41 -9.242 1.389 -2.516 305 HB3 LEU 41 2HB LEU 41 -10.951 1.079 -2.254 306 HG LEU 41 HG LEU 41 -10.698 3.371 -0.723 307 HD11 LEU 41 1HD1 LEU 41 -8.264 3.585 -1.248 308 HD12 LEU 41 2HD1 LEU 41 -9.194 4.980 -1.792 309 HD13 LEU 41 3HD1 LEU 41 -8.660 3.768 -2.960 310 HD21 LEU 41 3HD2 LEU 41 -12.332 3.119 -2.543 311 HD22 LEU 41 1HD2 LEU 41 -11.061 3.332 -3.740 312 HD23 LEU 41 2HD2 LEU 41 -11.516 4.674 -2.694 313 H GLY 42 H GLY 42 -10.274 2.272 1.638 314 HA2 GLY 42 1HA GLY 42 -12.594 2.732 2.356 315 HA3 GLY 42 2HA GLY 42 -12.965 1.033 2.089 316 H ASN 43 H ASN 43 -13.648 0.980 4.291 317 HA ASN 43 HA ASN 43 -11.449 0.922 6.298 318 HB2 ASN 43 1HB ASN 43 -14.389 1.505 6.649 319 HB3 ASN 43 2HB ASN 43 -13.212 1.448 7.956 320 HD21 ASN 43 2HD2 ASN 43 -13.523 3.064 4.718 321 HD22 ASN 43 1HD2 ASN 43 -12.912 4.556 5.253 322 HA PRO 44 HA PRO 44 -12.175 -3.517 6.710 323 HB2 PRO 44 1HB PRO 44 -11.941 -2.968 9.693 324 HB3 PRO 44 2HB PRO 44 -11.180 -4.265 8.738 325 HG2 PRO 44 1HG PRO 44 -9.738 -2.162 9.459 326 HG3 PRO 44 2HG PRO 44 -9.587 -2.806 7.808 327 HD2 PRO 44 1HD PRO 44 -11.061 -0.310 8.718 328 HD3 PRO 44 2HD PRO 44 -10.108 -0.595 7.243 329 H ALA 45 H ALA 45 -13.857 -1.381 9.011 330 HA ALA 45 HA ALA 45 -15.966 -3.166 9.703 331 HB1 ALA 45 3HB ALA 45 -15.371 -1.167 11.037 332 HB2 ALA 45 1HB ALA 45 -17.077 -1.142 10.583 333 HB3 ALA 45 2HB ALA 45 -15.918 -0.126 9.723 334 H GLN 46 H GLN 46 -15.700 -0.621 7.234 335 HA GLN 46 HA GLN 46 -18.382 -0.805 6.281 336 HB2 GLN 46 1HB GLN 46 -16.673 1.064 5.872 337 HB3 GLN 46 2HB GLN 46 -15.963 0.054 4.620 338 HG2 GLN 46 1HG GLN 46 -18.870 0.992 4.673 339 HG3 GLN 46 2HG GLN 46 -17.596 1.736 3.714 340 HE21 GLN 46 2HE2 GLN 46 -16.530 0.241 2.039 341 HE22 GLN 46 1HE2 GLN 46 -17.502 -0.952 1.324 342 H GLY 47 H GLY 47 -15.368 -2.062 4.811 343 HA2 GLY 47 1HA GLY 47 -15.866 -4.643 4.317 344 HA3 GLY 47 2HA GLY 47 -16.890 -3.908 3.084 345 H GLY 48 H GLY 48 -13.569 -4.259 4.223 346 HA2 GLY 48 1HA GLY 48 -12.264 -2.821 2.156 347 HA3 GLY 48 2HA GLY 48 -11.549 -4.094 3.139 348 H VAL 49 H VAL 49 -11.879 -3.339 0.058 349 HA VAL 49 HA VAL 49 -12.517 -6.094 -0.929 350 HB VAL 49 HB VAL 49 -12.523 -3.454 -2.466 351 HG11 VAL 49 1HG1 VAL 49 -13.741 -4.795 -4.187 352 HG12 VAL 49 2HG1 VAL 49 -13.519 -6.242 -3.204 353 HG13 VAL 49 3HG1 VAL 49 -12.122 -5.432 -3.909 354 HG21 VAL 49 3HG2 VAL 49 -14.841 -5.074 -1.321 355 HG22 VAL 49 1HG2 VAL 49 -15.006 -3.663 -2.369 356 HG23 VAL 49 2HG2 VAL 49 -14.317 -3.486 -0.761 357 H GLU 50 H GLU 50 -10.862 -7.253 -1.652 358 HA GLU 50 HA GLU 50 -8.176 -6.253 -1.689 359 HB2 GLU 50 1HB GLU 50 -8.806 -8.636 -1.206 360 HB3 GLU 50 2HB GLU 50 -9.243 -8.843 -2.897 361 HG2 GLU 50 1HG GLU 50 -6.980 -9.714 -2.559 362 HG3 GLU 50 2HG GLU 50 -6.864 -8.253 -3.532 363 H ILE 51 H ILE 51 -7.214 -5.106 -3.253 364 HA ILE 51 HA ILE 51 -8.436 -4.883 -5.945 365 HB ILE 51 HB ILE 51 -6.112 -3.322 -4.719 366 HG12 ILE 51 1HG1 ILE 51 -9.045 -2.492 -5.016 367 HG13 ILE 51 2HG1 ILE 51 -8.337 -3.042 -3.504 368 HG21 ILE 51 1HG2 ILE 51 -7.806 -2.870 -7.231 369 HG22 ILE 51 2HG2 ILE 51 -6.084 -3.242 -7.193 370 HG23 ILE 51 3HG2 ILE 51 -6.658 -1.696 -6.595 371 HD11 ILE 51 3HD1 ILE 51 -7.479 -0.590 -5.069 372 HD12 ILE 51 1HD1 ILE 51 -6.698 -1.177 -3.597 373 HD13 ILE 51 2HD1 ILE 51 -8.364 -0.617 -3.550 374 H GLY 52 H GLY 52 -5.334 -5.695 -4.411 375 HA2 GLY 52 1HA GLY 52 -4.653 -7.738 -6.221 376 HA3 GLY 52 2HA GLY 52 -3.883 -6.249 -6.768 377 H ARG 53 H ARG 53 -2.296 -8.319 -6.055 378 HA ARG 53 HA ARG 53 -0.767 -7.200 -3.850 379 HB2 ARG 53 1HB ARG 53 -0.732 -9.324 -2.545 380 HB3 ARG 53 2HB ARG 53 -2.337 -8.596 -2.590 381 HG2 ARG 53 1HG ARG 53 -3.000 -10.147 -4.413 382 HG3 ARG 53 2HG ARG 53 -1.402 -10.886 -4.372 383 HD2 ARG 53 1HD ARG 53 -1.775 -11.576 -2.020 384 HD3 ARG 53 2HD ARG 53 -3.383 -10.851 -2.067 385 HE ARG 53 HE ARG 53 -3.191 -12.646 -4.218 386 HH11 ARG 53 1HH2 ARG 53 -3.197 -12.704 -0.735 387 HH12 ARG 53 2HH2 ARG 53 -3.897 -14.285 -0.640 388 HH21 ARG 53 1HH1 ARG 53 -4.099 -14.701 -4.074 389 HH22 ARG 53 2HH1 ARG 53 -4.406 -15.412 -2.524 390 H ASP 54 H ASP 54 1.236 -8.528 -3.489 391 HA ASP 54 HA ASP 54 2.137 -10.273 -5.618 392 HB2 ASP 54 1HB ASP 54 2.255 -8.024 -6.715 393 HB3 ASP 54 2HB ASP 54 3.343 -7.474 -5.448 394 H THR 55 H THR 55 3.243 -11.705 -4.438 395 HA THR 55 HA THR 55 4.496 -11.052 -1.922 396 HB THR 55 HB THR 55 4.789 -13.606 -3.570 397 HG1 THR 55 HG1 THR 55 2.658 -13.353 -3.254 398 HG21 THR 55 3HG2 THR 55 5.059 -13.052 -0.583 399 HG22 THR 55 1HG2 THR 55 6.390 -13.412 -1.684 400 HG23 THR 55 2HG2 THR 55 5.174 -14.638 -1.341 401 H ILE 56 H ILE 56 6.645 -10.761 -1.490 402 HA ILE 56 HA ILE 56 8.350 -9.971 -3.693 403 HB ILE 56 HB ILE 56 9.108 -10.215 -0.742 404 HG12 ILE 56 1HG1 ILE 56 7.049 -8.881 -0.845 405 HG13 ILE 56 2HG1 ILE 56 8.416 -7.832 -0.502 406 HG21 ILE 56 1HG2 ILE 56 11.070 -9.793 -2.107 407 HG22 ILE 56 2HG2 ILE 56 10.628 -8.223 -1.436 408 HG23 ILE 56 3HG2 ILE 56 10.228 -8.603 -3.099 409 HD11 ILE 56 3HD1 ILE 56 7.114 -6.663 -2.094 410 HD12 ILE 56 1HD1 ILE 56 6.873 -8.094 -3.091 411 HD13 ILE 56 2HD1 ILE 56 8.452 -7.309 -3.038 412 H SER 57 H SER 57 10.194 -11.012 -4.440 413 HA SER 57 HA SER 57 10.275 -13.863 -4.277 414 HB2 SER 57 1HB SER 57 12.359 -11.918 -5.324 415 HB3 SER 57 2HB SER 57 12.349 -13.655 -5.619 416 HG SER 57 HG SER 57 11.356 -12.258 -7.265 417 H ARG 58 H ARG 58 12.448 -11.346 -2.995 418 HA ARG 58 HA ARG 58 13.159 -13.098 -0.722 419 HB2 ARG 58 1HB ARG 58 14.825 -13.624 -2.494 420 HB3 ARG 58 2HB ARG 58 15.283 -11.923 -2.567 421 HG2 ARG 58 1HG ARG 58 15.984 -12.013 -0.175 422 HG3 ARG 58 2HG ARG 58 15.506 -13.707 -0.100 423 HD2 ARG 58 1HD ARG 58 17.196 -14.264 -1.812 424 HD3 ARG 58 2HD ARG 58 17.659 -12.565 -1.927 425 HE ARG 58 HE ARG 58 18.456 -14.430 0.126 426 HH11 ARG 58 1HH2 ARG 58 17.774 -11.086 -0.535 427 HH12 ARG 58 2HH2 ARG 58 18.746 -10.494 0.768 428 HH21 ARG 58 1HH1 ARG 58 19.719 -13.637 1.846 429 HH22 ARG 58 2HH1 ARG 58 19.830 -11.929 2.120 430 H ILE 59 H ILE 59 13.277 -11.987 1.086 431 HA ILE 59 HA ILE 59 13.481 -9.014 0.981 432 HB ILE 59 HB ILE 59 12.042 -10.605 3.121 433 HG12 ILE 59 1HG1 ILE 59 10.971 -9.292 0.601 434 HG13 ILE 59 2HG1 ILE 59 10.948 -11.008 0.936 435 HG21 ILE 59 1HG2 ILE 59 11.084 -8.417 3.705 436 HG22 ILE 59 2HG2 ILE 59 11.882 -7.657 2.328 437 HG23 ILE 59 3HG2 ILE 59 12.836 -8.260 3.674 438 HD11 ILE 59 3HD1 ILE 59 9.059 -8.949 1.689 439 HD12 ILE 59 1HD1 ILE 59 9.601 -9.836 3.110 440 HD13 ILE 59 2HD1 ILE 59 8.893 -10.700 1.751 441 HA PRO 60 HA PRO 60 17.094 -10.252 3.546 442 HB2 PRO 60 1HB PRO 60 18.599 -7.992 3.355 443 HB3 PRO 60 2HB PRO 60 18.430 -9.102 1.976 444 HG2 PRO 60 1HG PRO 60 16.925 -6.549 2.511 445 HG3 PRO 60 2HG PRO 60 17.724 -7.067 1.012 446 HD2 PRO 60 1HD PRO 60 15.023 -7.381 1.408 447 HD3 PRO 60 2HD PRO 60 15.950 -8.541 0.429 448 H VAL 61 H VAL 61 17.933 -9.601 5.622 449 HA VAL 61 HA VAL 61 15.922 -8.596 7.407 450 HB VAL 61 HB VAL 61 17.501 -10.377 8.041 451 HG11 VAL 61 1HG1 VAL 61 19.659 -8.225 7.978 452 HG12 VAL 61 2HG1 VAL 61 19.494 -9.537 6.811 453 HG13 VAL 61 3HG1 VAL 61 19.869 -9.897 8.495 454 HG21 VAL 61 3HG2 VAL 61 17.901 -7.887 9.769 455 HG22 VAL 61 1HG2 VAL 61 18.063 -9.562 10.293 456 HG23 VAL 61 2HG2 VAL 61 16.483 -8.935 9.823 457 H GLY 62 H GLY 62 15.881 -6.676 8.594 458 HA2 GLY 62 1HA GLY 62 16.264 -4.471 9.093 459 HA3 GLY 62 2HA GLY 62 17.908 -4.665 8.495 460 H GLY 63 H GLY 63 15.876 -5.748 6.125 461 HA2 GLY 63 1HA GLY 63 16.033 -3.218 4.582 462 HA3 GLY 63 2HA GLY 63 15.878 -4.847 3.938 463 H THR 64 H THR 64 14.137 -3.747 2.703 464 HA THR 64 HA THR 64 11.536 -4.043 4.088 465 HB THR 64 HB THR 64 10.707 -1.960 3.177 466 HG1 THR 64 HG1 THR 64 11.540 -1.519 1.312 467 HG21 THR 64 3HG2 THR 64 12.157 -1.767 5.254 468 HG22 THR 64 1HG2 THR 64 12.116 -0.299 4.276 469 HG23 THR 64 2HG2 THR 64 13.511 -1.369 4.196 470 H GLY 65 H GLY 65 9.822 -3.529 2.173 471 HA2 GLY 65 1HA GLY 65 10.613 -4.975 -0.305 472 HA3 GLY 65 2HA GLY 65 9.272 -5.592 0.652 473 H LEU 66 H LEU 66 9.299 -4.549 -2.072 474 HA LEU 66 HA LEU 66 7.206 -2.468 -1.775 475 HB2 LEU 66 1HB LEU 66 9.792 -2.251 -3.249 476 HB3 LEU 66 2HB LEU 66 8.417 -1.805 -4.245 477 HG LEU 66 HG LEU 66 8.835 -0.597 -1.461 478 HD11 LEU 66 1HD1 LEU 66 9.788 0.541 -4.121 479 HD12 LEU 66 2HD1 LEU 66 10.830 -0.058 -2.827 480 HD13 LEU 66 3HD1 LEU 66 9.842 1.379 -2.566 481 HD21 LEU 66 3HD2 LEU 66 7.271 0.368 -3.904 482 HD22 LEU 66 1HD2 LEU 66 7.367 1.211 -2.356 483 HD23 LEU 66 2HD2 LEU 66 6.550 -0.338 -2.463 484 H ALA 67 H ALA 67 5.647 -2.422 -3.363 485 HA ALA 67 HA ALA 67 5.488 -4.690 -5.261 486 HB1 ALA 67 3HB ALA 67 3.382 -3.983 -3.174 487 HB2 ALA 67 1HB ALA 67 4.374 -5.440 -3.182 488 HB3 ALA 67 2HB ALA 67 3.187 -5.177 -4.459 489 H ARG 68 H ARG 68 3.995 -4.349 -6.931 490 HA ARG 68 HA ARG 68 3.176 -1.492 -7.330 491 HB2 ARG 68 1HB ARG 68 5.032 -2.278 -8.832 492 HB3 ARG 68 2HB ARG 68 3.959 -3.514 -9.480 493 HG2 ARG 68 1HG ARG 68 2.389 -1.750 -10.269 494 HG3 ARG 68 2HG ARG 68 3.437 -0.513 -9.577 495 HD2 ARG 68 1HD ARG 68 3.835 -0.699 -11.992 496 HD3 ARG 68 2HD ARG 68 5.266 -1.223 -11.102 497 HE ARG 68 HE ARG 68 3.609 -3.463 -11.611 498 HH11 ARG 68 1HH2 ARG 68 5.625 -1.179 -13.307 499 HH12 ARG 68 2HH2 ARG 68 6.063 -2.303 -14.550 500 HH21 ARG 68 1HH1 ARG 68 4.195 -4.908 -13.239 501 HH22 ARG 68 2HH1 ARG 68 5.258 -4.405 -14.510 502 H VAL 69 H VAL 69 1.072 -1.223 -7.308 503 HA VAL 69 HA VAL 69 -0.740 -3.296 -8.445 504 HB VAL 69 HB VAL 69 -1.239 -1.771 -5.845 505 HG11 VAL 69 1HG1 VAL 69 -3.318 -2.315 -7.087 506 HG12 VAL 69 2HG1 VAL 69 -3.188 -3.321 -5.650 507 HG13 VAL 69 3HG1 VAL 69 -2.801 -3.996 -7.233 508 HG21 VAL 69 3HG2 VAL 69 -0.493 -4.696 -6.304 509 HG22 VAL 69 1HG2 VAL 69 -0.969 -4.003 -4.753 510 HG23 VAL 69 2HG2 VAL 69 0.522 -3.480 -5.528 511 H GLN 70 H GLN 70 -2.070 -2.473 -9.888 512 HA GLN 70 HA GLN 70 -2.321 0.477 -10.187 513 HB2 GLN 70 1HB GLN 70 -3.045 -1.799 -12.074 514 HB3 GLN 70 2HB GLN 70 -3.175 -0.081 -12.452 515 HG2 GLN 70 1HG GLN 70 -0.580 -1.518 -11.745 516 HG3 GLN 70 2HG GLN 70 -1.087 -1.099 -13.379 517 HE21 GLN 70 2HE2 GLN 70 1.190 -0.100 -11.429 518 HE22 GLN 70 1HE2 GLN 70 1.092 1.587 -11.590 519 H TRP 71 H TRP 71 -4.252 1.515 -10.039 520 HA TRP 71 HA TRP 71 -6.736 -0.051 -9.652 521 HB2 TRP 71 1HB TRP 71 -5.853 0.503 -7.381 522 HB3 TRP 71 2HB TRP 71 -5.840 2.212 -7.807 523 HD1 TRP 71 HD1 TRP 71 -8.473 -0.642 -8.029 524 HE1 TRP 71 HE1 TRP 71 -10.742 0.291 -7.294 525 HE3 TRP 71 HE3 TRP 71 -7.124 4.142 -6.903 526 HZ2 TRP 71 HZ2 TRP 71 -11.862 2.767 -6.373 527 HZ3 TRP 71 HZ3 TRP 71 -8.805 5.776 -6.100 528 HH2 TRP 71 HH2 TRP 71 -11.175 5.089 -5.824 529 H LYS 72 H LYS 72 -8.201 0.639 -11.004 530 HA LYS 72 HA LYS 72 -7.984 3.283 -12.298 531 HB2 LYS 72 1HB LYS 72 -8.334 1.244 -13.668 532 HB3 LYS 72 2HB LYS 72 -9.864 0.950 -12.857 533 HG2 LYS 72 1HG LYS 72 -10.801 3.044 -13.722 534 HG3 LYS 72 2HG LYS 72 -9.250 3.522 -14.405 535 HD2 LYS 72 1HD LYS 72 -10.543 0.906 -15.315 536 HD3 LYS 72 2HD LYS 72 -11.100 2.431 -15.995 537 HE2 LYS 72 1HE LYS 72 -8.217 1.454 -16.085 538 HE3 LYS 72 2HE LYS 72 -9.359 1.396 -17.424 539 HZ1 LYS 72 3HZ LYS 72 -8.926 3.495 -17.900 540 HZ2 LYS 72 1HZ LYS 72 -7.710 3.497 -16.717 541 HZ3 LYS 72 2HZ LYS 72 -9.285 3.996 -16.317 542 H ALA 73 H ALA 73 -9.196 4.965 -11.679 543 HA ALA 73 HA ALA 73 -11.032 4.768 -9.466 544 HB1 ALA 73 3HB ALA 73 -10.514 7.055 -11.393 545 HB2 ALA 73 1HB ALA 73 -9.724 6.808 -9.840 546 HB3 ALA 73 2HB ALA 73 -11.446 7.181 -9.905 547 H THR 74 H THR 74 -13.236 4.680 -9.460 548 HA THR 74 HA THR 74 -14.788 4.970 -11.953 549 HB THR 74 HB THR 74 -14.191 2.606 -11.996 550 HG1 THR 74 HG1 THR 74 -16.587 2.033 -11.063 551 HG21 THR 74 3HG2 THR 74 -13.565 2.307 -9.627 552 HG22 THR 74 1HG2 THR 74 -14.758 1.102 -10.110 553 HG23 THR 74 2HG2 THR 74 -15.251 2.487 -9.143 554 H ARG 75 H ARG 75 -17.203 4.220 -11.228 555 HA ARG 75 HA ARG 75 -19.074 4.970 -10.160 556 HB2 ARG 75 1HB ARG 75 -17.301 4.797 -7.694 557 HB3 ARG 75 2HB ARG 75 -19.055 4.920 -7.668 558 HG2 ARG 75 1HG ARG 75 -17.725 2.618 -9.169 559 HG3 ARG 75 2HG ARG 75 -17.931 2.523 -7.425 560 HD2 ARG 75 1HD ARG 75 -20.371 2.786 -7.665 561 HD3 ARG 75 2HD ARG 75 -20.198 2.991 -9.399 562 HE ARG 75 HE ARG 75 -20.077 0.702 -9.608 563 HH11 ARG 75 1HH2 ARG 75 -19.243 1.574 -6.340 564 HH12 ARG 75 2HH2 ARG 75 -19.101 -0.068 -5.807 565 HH21 ARG 75 1HH1 ARG 75 -19.901 -1.429 -8.887 566 HH22 ARG 75 2HH1 ARG 75 -19.471 -1.759 -7.242 567 H LYS 76 H LYS 76 -16.703 6.866 -10.880 568 HA LYS 76 HA LYS 76 -17.978 9.319 -9.804 569 HB2 LYS 76 1HB LYS 76 -14.985 8.731 -9.692 570 HB3 LYS 76 2HB LYS 76 -15.718 10.302 -9.357 571 HG2 LYS 76 1HG LYS 76 -17.039 9.274 -7.510 572 HG3 LYS 76 2HG LYS 76 -16.241 7.733 -7.815 573 HD2 LYS 76 1HD LYS 76 -14.038 8.774 -7.313 574 HD3 LYS 76 2HD LYS 76 -14.852 10.302 -6.971 575 HE2 LYS 76 1HE LYS 76 -15.268 7.682 -5.471 576 HE3 LYS 76 2HE LYS 76 -14.413 9.100 -4.863 577 HZ1 LYS 76 3HZ LYS 76 -16.705 10.219 -5.519 578 HZ2 LYS 76 1HZ LYS 76 -16.447 9.514 -3.999 579 HZ3 LYS 76 2HZ LYS 76 -17.274 8.649 -5.205 580 H LEU 77 H LEU 77 -17.891 11.055 -11.134 581 HA LEU 77 HA LEU 77 -16.235 11.260 -13.438 582 HB2 LEU 77 1HB LEU 77 -17.744 9.488 -14.301 583 HB3 LEU 77 2HB LEU 77 -19.136 10.494 -13.929 584 HG LEU 77 HG LEU 77 -18.344 12.182 -15.615 585 HD11 LEU 77 1HD1 LEU 77 -15.975 11.961 -15.721 586 HD12 LEU 77 2HD1 LEU 77 -16.517 11.331 -17.265 587 HD13 LEU 77 3HD1 LEU 77 -16.050 10.217 -15.979 588 HD21 LEU 77 3HD2 LEU 77 -18.853 10.824 -17.625 589 HD22 LEU 77 1HD2 LEU 77 -19.930 10.411 -16.291 590 HD23 LEU 77 2HD2 LEU 77 -18.581 9.347 -16.699 591 H ALA 78 H ALA 78 -19.650 12.166 -13.215 592 HA ALA 78 HA ALA 78 -19.137 14.909 -13.792 593 HB1 ALA 78 3HB ALA 78 -21.520 15.230 -13.325 594 HB2 ALA 78 1HB ALA 78 -21.598 13.653 -12.531 595 HB3 ALA 78 2HB ALA 78 -21.286 13.755 -14.261 596 H GLY 79 H GLY 79 -19.970 13.239 -10.746 597 HA2 GLY 79 1HA GLY 79 -19.587 13.801 -8.547 598 HA3 GLY 79 2HA GLY 79 -18.390 14.963 -9.111 599 H ARG 80 H ARG 80 -21.891 14.786 -9.754 600 HA ARG 80 HA ARG 80 -22.319 17.583 -9.445 601 HB2 ARG 80 1HB ARG 80 -24.320 15.288 -9.298 602 HB3 ARG 80 2HB ARG 80 -24.733 16.993 -9.502 603 HG2 ARG 80 1HG ARG 80 -23.412 17.038 -11.626 604 HG3 ARG 80 2HG ARG 80 -23.076 15.318 -11.427 605 HD2 ARG 80 1HD ARG 80 -25.850 16.532 -11.693 606 HD3 ARG 80 2HD ARG 80 -24.981 15.707 -12.986 607 HE ARG 80 HE ARG 80 -26.390 14.472 -10.792 608 HH11 ARG 80 1HH2 ARG 80 -23.739 14.096 -13.013 609 HH12 ARG 80 2HH2 ARG 80 -23.703 12.370 -12.877 610 HH21 ARG 80 1HH1 ARG 80 -26.335 12.221 -10.630 611 HH22 ARG 80 2HH1 ARG 80 -25.169 11.312 -11.531 612 H ALA 81 H ALA 81 -22.678 14.839 -7.240 613 HA ALA 81 HA ALA 81 -22.409 16.491 -4.898 614 HB1 ALA 81 3HB ALA 81 -24.673 16.093 -3.968 615 HB2 ALA 81 1HB ALA 81 -25.152 15.307 -5.475 616 HB3 ALA 81 2HB ALA 81 -24.762 17.026 -5.463 617 H ALA 82 H ALA 82 -21.131 14.191 -5.989 618 HA ALA 82 HA ALA 82 -21.947 11.752 -4.820 619 HB1 ALA 82 3HB ALA 82 -19.135 12.690 -5.510 620 HB2 ALA 82 1HB ALA 82 -20.269 11.956 -6.642 621 HB3 ALA 82 2HB ALA 82 -19.643 11.016 -5.286 622 H ASN 83 H ASN 83 -19.626 10.918 -3.402 623 HA ASN 83 HA ASN 83 -19.678 12.554 -0.899 624 HB2 ASN 83 1HB ASN 83 -21.193 10.555 -0.756 625 HB3 ASN 83 2HB ASN 83 -19.804 9.511 -1.039 626 HD21 ASN 83 2HD2 ASN 83 -18.568 8.954 0.817 627 HD22 ASN 83 1HD2 ASN 83 -18.752 9.687 2.336 628 HA PRO 84 HA PRO 84 -15.267 11.920 -2.347 629 HB2 PRO 84 1HB PRO 84 -15.127 14.170 -0.295 630 HB3 PRO 84 2HB PRO 84 -14.186 13.982 -1.799 631 HG2 PRO 84 1HG PRO 84 -16.223 15.639 -1.825 632 HG3 PRO 84 2HG PRO 84 -16.080 14.470 -3.161 633 HD2 PRO 84 1HD PRO 84 -17.898 14.303 -0.722 634 HD3 PRO 84 2HD PRO 84 -18.295 13.968 -2.423 635 H GLY 85 H GLY 85 -13.232 11.964 -0.681 636 HA2 GLY 85 1HA GLY 85 -12.310 11.208 1.351 637 HA3 GLY 85 2HA GLY 85 -13.894 10.664 1.896 638 H VAL 86 H VAL 86 -11.194 9.954 -0.258 639 HA VAL 86 HA VAL 86 -11.910 7.043 -0.264 640 HB VAL 86 HB VAL 86 -10.660 7.023 -2.512 641 HG11 VAL 86 1HG1 VAL 86 -12.631 7.729 -3.812 642 HG12 VAL 86 2HG1 VAL 86 -13.264 8.605 -2.417 643 HG13 VAL 86 3HG1 VAL 86 -13.137 6.848 -2.371 644 HG21 VAL 86 3HG2 VAL 86 -9.590 9.278 -2.265 645 HG22 VAL 86 1HG2 VAL 86 -11.177 10.033 -2.364 646 HG23 VAL 86 2HG2 VAL 86 -10.527 9.159 -3.748 647 HA PRO 87 HA PRO 87 -7.676 7.967 1.632 648 HB2 PRO 87 1HB PRO 87 -8.058 6.595 4.007 649 HB3 PRO 87 2HB PRO 87 -8.579 8.288 3.801 650 HG2 PRO 87 1HG PRO 87 -10.228 5.778 3.370 651 HG3 PRO 87 2HG PRO 87 -10.592 7.161 4.438 652 HD2 PRO 87 1HD PRO 87 -11.704 7.119 2.038 653 HD3 PRO 87 2HD PRO 87 -10.946 8.641 2.561 654 H VAL 88 H VAL 88 -5.971 6.496 1.647 655 HA VAL 88 HA VAL 88 -6.571 3.770 0.582 656 HB VAL 88 HB VAL 88 -3.934 5.308 0.521 657 HG11 VAL 88 1HG1 VAL 88 -3.345 3.624 -1.223 658 HG12 VAL 88 2HG1 VAL 88 -4.894 2.821 -0.971 659 HG13 VAL 88 3HG1 VAL 88 -3.689 2.840 0.316 660 HG21 VAL 88 3HG2 VAL 88 -6.082 5.001 -1.627 661 HG22 VAL 88 1HG2 VAL 88 -4.501 5.743 -1.868 662 HG23 VAL 88 2HG2 VAL 88 -5.669 6.499 -0.792 663 H TYR 89 H TYR 89 -6.574 2.243 2.093 664 HA TYR 89 HA TYR 89 -4.734 2.405 4.442 665 HB2 TYR 89 1HB TYR 89 -7.431 1.062 4.010 666 HB3 TYR 89 2HB TYR 89 -6.375 0.573 5.336 667 HD1 TYR 89 HD1 TYR 89 -5.628 2.291 7.054 668 HD2 TYR 89 HD2 TYR 89 -8.733 3.159 4.193 669 HE1 TYR 89 HE1 TYR 89 -6.373 4.210 8.431 670 HE2 TYR 89 HE2 TYR 89 -9.471 5.067 5.598 671 HH TYR 89 HH TYR 89 -7.858 6.592 7.610 672 H ALA 90 H ALA 90 -3.475 0.683 4.974 673 HA ALA 90 HA ALA 90 -3.362 -1.690 3.217 674 HB1 ALA 90 3HB ALA 90 -0.943 -1.368 2.826 675 HB2 ALA 90 1HB ALA 90 -0.999 0.174 3.689 676 HB3 ALA 90 2HB ALA 90 -1.867 -0.016 2.167 677 H VAL 91 H VAL 91 -2.583 -3.475 4.228 678 HA VAL 91 HA VAL 91 -1.540 -3.235 7.019 679 HB VAL 91 HB VAL 91 -3.666 -5.208 6.061 680 HG11 VAL 91 1HG1 VAL 91 -3.823 -5.764 8.505 681 HG12 VAL 91 2HG1 VAL 91 -2.457 -4.695 8.819 682 HG13 VAL 91 3HG1 VAL 91 -2.235 -6.151 7.849 683 HG21 VAL 91 3HG2 VAL 91 -3.898 -2.754 7.864 684 HG22 VAL 91 1HG2 VAL 91 -5.188 -3.922 7.570 685 HG23 VAL 91 2HG2 VAL 91 -4.593 -2.921 6.252 686 H VAL 92 H VAL 92 0.082 -4.598 7.507 687 HA VAL 92 HA VAL 92 1.327 -6.139 5.359 688 HB VAL 92 HB VAL 92 3.185 -6.364 6.966 689 HG11 VAL 92 1HG1 VAL 92 3.715 -3.955 7.199 690 HG12 VAL 92 2HG1 VAL 92 2.020 -3.543 6.939 691 HG13 VAL 92 3HG1 VAL 92 2.958 -4.271 5.641 692 HG21 VAL 92 3HG2 VAL 92 1.280 -5.018 8.946 693 HG22 VAL 92 1HG2 VAL 92 3.011 -5.209 9.223 694 HG23 VAL 92 2HG2 VAL 92 1.983 -6.628 9.102 695 H ASP 93 H ASP 93 1.343 -8.341 5.205 696 HA ASP 93 HA ASP 93 -0.578 -9.944 6.222 697 HB2 ASP 93 1HB ASP 93 0.541 -11.738 5.177 698 HB3 ASP 93 2HB ASP 93 1.389 -10.379 4.453 699 HA PRO 94 HA PRO 94 0.112 -10.949 10.510 700 HB2 PRO 94 1HB PRO 94 0.483 -13.875 9.738 701 HB3 PRO 94 2HB PRO 94 -0.535 -13.185 11.031 702 HG2 PRO 94 1HG PRO 94 -1.700 -13.962 8.799 703 HG3 PRO 94 2HG PRO 94 -2.138 -12.376 9.481 704 HD2 PRO 94 1HD PRO 94 -0.257 -12.955 7.159 705 HD3 PRO 94 2HD PRO 94 -1.529 -11.720 7.290 706 H ASP 95 H ASP 95 1.941 -10.612 11.699 707 HA ASP 95 HA ASP 95 4.586 -11.295 10.633 708 HB2 ASP 95 1HB ASP 95 5.392 -9.855 12.485 709 HB3 ASP 95 2HB ASP 95 4.197 -9.027 11.492 710 H ASN 96 H ASN 96 2.697 -13.363 11.698 711 HA ASN 96 HA ASN 96 2.854 -15.317 12.817 712 HB2 ASN 96 1HB ASN 96 5.335 -15.150 12.102 713 HB3 ASN 96 2HB ASN 96 5.667 -14.600 13.735 714 HD21 ASN 96 2HD2 ASN 96 4.290 -17.373 11.923 715 HD22 ASN 96 1HD2 ASN 96 4.645 -18.522 13.122 716 H ARG 97 H ARG 97 2.901 -12.358 14.161 717 HA ARG 97 HA ARG 97 2.170 -13.386 16.857 718 HB2 ARG 97 1HB ARG 97 3.969 -11.053 16.147 719 HB3 ARG 97 2HB ARG 97 3.306 -11.280 17.764 720 HG2 ARG 97 1HG ARG 97 4.969 -13.463 16.407 721 HG3 ARG 97 2HG ARG 97 5.735 -12.167 17.316 722 HD2 ARG 97 1HD ARG 97 4.522 -12.823 19.351 723 HD3 ARG 97 2HD ARG 97 3.653 -14.071 18.480 724 HE ARG 97 HE ARG 97 6.341 -14.241 19.479 725 HH11 ARG 97 1HH2 ARG 97 4.198 -15.322 16.964 726 HH12 ARG 97 2HH2 ARG 97 5.073 -16.787 16.666 727 HH21 ARG 97 1HH1 ARG 97 7.470 -16.167 19.091 728 HH22 ARG 97 2HH1 ARG 97 6.921 -17.263 17.868 729 H VAL 98 H VAL 98 0.017 -13.255 15.996 730 HA VAL 98 HA VAL 98 -1.183 -10.876 15.070 731 HB VAL 98 HB VAL 98 -2.534 -13.115 16.646 732 HG11 VAL 98 1HG1 VAL 98 -3.619 -11.134 14.596 733 HG12 VAL 98 2HG1 VAL 98 -3.968 -11.112 16.323 734 HG13 VAL 98 3HG1 VAL 98 -4.544 -12.445 15.329 735 HG21 VAL 98 3HG2 VAL 98 -2.957 -14.151 14.424 736 HG22 VAL 98 1HG2 VAL 98 -1.228 -14.033 14.742 737 HG23 VAL 98 2HG2 VAL 98 -2.003 -12.886 13.651 738 H ALA 99 H ALA 99 -1.479 -9.017 16.121 739 HA ALA 99 HA ALA 99 -2.579 -8.804 18.750 740 HB1 ALA 99 3HB ALA 99 -0.349 -9.444 19.528 741 HB2 ALA 99 1HB ALA 99 -0.562 -7.722 19.838 742 HB3 ALA 99 2HB ALA 99 0.398 -8.264 18.462 743 H GLU 100 H GLU 100 -3.367 -6.782 19.095 744 HA GLU 100 HA GLU 100 -3.498 -4.942 16.900 745 HB2 GLU 100 1HB GLU 100 -4.299 -4.614 19.820 746 HB3 GLU 100 2HB GLU 100 -4.756 -3.517 18.514 747 HG2 GLU 100 1HG GLU 100 -5.928 -5.376 17.360 748 HG3 GLU 100 2HG GLU 100 -5.471 -6.474 18.657 749 H SER 101 H SER 101 -2.175 -4.510 20.196 750 HA SER 101 HA SER 101 -0.947 -2.073 19.973 751 HB2 SER 101 1HB SER 101 0.313 -4.502 21.295 752 HB3 SER 101 2HB SER 101 0.673 -2.817 21.666 753 HG SER 101 HG SER 101 -1.836 -2.857 21.914 754 H ASP 102 H ASP 102 0.599 -5.162 18.969 755 HA ASP 102 HA ASP 102 2.967 -3.974 17.903 756 HB2 ASP 102 1HB ASP 102 1.656 -6.613 17.152 757 HB3 ASP 102 2HB ASP 102 3.316 -6.150 16.790 758 H LYS 103 H LYS 103 0.228 -5.443 16.108 759 HA LYS 103 HA LYS 103 0.843 -4.601 13.551 760 HB2 LYS 103 1HB LYS 103 -1.075 -6.076 14.143 761 HB3 LYS 103 2HB LYS 103 -1.945 -4.674 14.757 762 HG2 LYS 103 1HG LYS 103 -1.987 -3.661 12.506 763 HG3 LYS 103 2HG LYS 103 -0.964 -4.951 11.879 764 HD2 LYS 103 1HD LYS 103 -3.285 -5.389 11.234 765 HD3 LYS 103 2HD LYS 103 -2.780 -6.606 12.402 766 HE2 LYS 103 1HE LYS 103 -4.097 -5.590 14.157 767 HE3 LYS 103 2HE LYS 103 -4.294 -4.092 13.246 768 HZ1 LYS 103 3HZ LYS 103 -5.956 -4.942 12.048 769 HZ2 LYS 103 1HZ LYS 103 -6.092 -6.057 13.319 770 HZ3 LYS 103 2HZ LYS 103 -5.241 -6.476 11.909 771 H ALA 104 H ALA 104 -1.079 -2.755 15.925 772 HA ALA 104 HA ALA 104 -1.631 -0.447 14.481 773 HB1 ALA 104 3HB ALA 104 -0.861 -0.607 17.414 774 HB2 ALA 104 1HB ALA 104 -2.475 -0.883 16.765 775 HB3 ALA 104 2HB ALA 104 -1.745 0.720 16.653 776 H ASN 105 H ASN 105 1.434 -1.636 15.264 777 HA ASN 105 HA ASN 105 2.793 1.015 15.000 778 HB2 ASN 105 1HB ASN 105 4.132 -1.630 15.714 779 HB3 ASN 105 2HB ASN 105 4.766 -0.002 15.903 780 HD21 ASN 105 2HD2 ASN 105 4.159 -2.193 17.957 781 HD22 ASN 105 1HD2 ASN 105 3.185 -1.418 19.112 782 H ASN 106 H ASN 106 1.461 -0.541 12.804 783 HA ASN 106 HA ASN 106 3.630 -0.322 10.844 784 HB2 ASN 106 1HB ASN 106 2.134 -2.936 11.293 785 HB3 ASN 106 2HB ASN 106 3.233 -2.612 9.952 786 HD21 ASN 106 2HD2 ASN 106 5.473 -1.576 10.967 787 HD22 ASN 106 1HD2 ASN 106 6.127 -2.528 12.211 788 H VAL 107 H VAL 107 0.977 0.922 11.532 789 HA VAL 107 HA VAL 107 -0.601 0.312 9.075 790 HB VAL 107 HB VAL 107 -1.376 1.972 11.517 791 HG11 VAL 107 1HG1 VAL 107 -3.016 0.928 9.158 792 HG12 VAL 107 2HG1 VAL 107 -2.634 2.620 9.471 793 HG13 VAL 107 3HG1 VAL 107 -3.689 1.742 10.570 794 HG21 VAL 107 3HG2 VAL 107 -2.766 0.006 12.124 795 HG22 VAL 107 1HG2 VAL 107 -1.060 -0.433 12.071 796 HG23 VAL 107 2HG2 VAL 107 -2.126 -0.881 10.741 797 H PHE 108 H PHE 108 -0.813 1.779 7.482 798 HA PHE 108 HA PHE 108 0.136 4.564 7.849 799 HB2 PHE 108 1HB PHE 108 1.046 2.788 5.542 800 HB3 PHE 108 2HB PHE 108 1.541 4.447 5.868 801 HD1 PHE 108 HD1 PHE 108 2.512 4.888 8.332 802 HD2 PHE 108 HD2 PHE 108 2.516 1.039 6.365 803 HE1 PHE 108 HE1 PHE 108 4.327 4.115 9.822 804 HE2 PHE 108 HE2 PHE 108 4.336 0.288 7.869 805 HZ PHE 108 HZ PHE 108 5.243 1.823 9.595 806 H SER 109 H SER 109 -1.009 6.025 6.728 807 HA SER 109 HA SER 109 -2.571 5.406 4.375 808 HB2 SER 109 1HB SER 109 -4.029 5.960 6.988 809 HB3 SER 109 2HB SER 109 -4.783 5.865 5.396 810 HG SER 109 HG SER 109 -3.704 3.868 7.019 811 H ARG 110 H ARG 110 -3.044 7.257 3.269 812 HA ARG 110 HA ARG 110 -2.751 9.899 4.621 813 HB2 ARG 110 1HB ARG 110 -1.371 10.721 2.792 814 HB3 ARG 110 2HB ARG 110 -0.618 9.274 3.462 815 HG2 ARG 110 1HG ARG 110 -1.639 7.925 1.605 816 HG3 ARG 110 2HG ARG 110 -2.298 9.411 0.917 817 HD2 ARG 110 1HD ARG 110 0.655 8.847 1.343 818 HD3 ARG 110 2HD ARG 110 -0.195 8.778 -0.203 819 HE ARG 110 HE ARG 110 -0.670 11.306 0.920 820 HH11 ARG 110 1HH2 ARG 110 1.989 9.444 -0.355 821 HH12 ARG 110 2HH2 ARG 110 2.873 10.839 -0.877 822 HH21 ARG 110 1HH1 ARG 110 0.499 13.102 0.236 823 HH22 ARG 110 2HH1 ARG 110 2.033 12.901 -0.542 824 H ILE 111 H ILE 111 -3.921 11.571 3.712 825 HA ILE 111 HA ILE 111 -6.276 10.745 2.161 826 HB ILE 111 HB ILE 111 -5.507 13.272 3.679 827 HG12 ILE 111 1HG1 ILE 111 -7.488 12.688 5.074 828 HG13 ILE 111 2HG1 ILE 111 -7.804 11.291 4.052 829 HG21 ILE 111 1HG2 ILE 111 -7.899 14.082 3.129 830 HG22 ILE 111 2HG2 ILE 111 -7.946 12.831 1.887 831 HG23 ILE 111 3HG2 ILE 111 -6.773 14.141 1.774 832 HD11 ILE 111 3HD1 ILE 111 -6.553 10.937 6.305 833 HD12 ILE 111 1HD1 ILE 111 -5.138 11.575 5.470 834 HD13 ILE 111 2HD1 ILE 111 -5.940 10.115 4.876 835 H VAL 112 H VAL 112 -6.578 11.198 0.080 836 HA VAL 112 HA VAL 112 -4.927 13.240 -1.302 837 HB VAL 112 HB VAL 112 -3.753 11.055 -1.520 838 HG11 VAL 112 1HG1 VAL 112 -6.233 10.079 -3.012 839 HG12 VAL 112 2HG1 VAL 112 -5.797 9.587 -1.376 840 HG13 VAL 112 3HG1 VAL 112 -4.751 9.180 -2.728 841 HG21 VAL 112 3HG2 VAL 112 -5.029 11.982 -4.137 842 HG22 VAL 112 1HG2 VAL 112 -3.516 11.096 -3.979 843 HG23 VAL 112 2HG2 VAL 112 -3.638 12.739 -3.363 844 H LYS 113 H LYS 113 -5.999 14.292 -2.866 845 HA LYS 113 HA LYS 113 -8.610 13.264 -3.846 846 HB2 LYS 113 1HB LYS 113 -8.111 16.049 -2.706 847 HB3 LYS 113 2HB LYS 113 -9.592 15.524 -3.512 848 HG2 LYS 113 1HG LYS 113 -9.890 13.756 -1.758 849 HG3 LYS 113 2HG LYS 113 -8.451 14.360 -0.936 850 HD2 LYS 113 1HD LYS 113 -9.545 16.573 -0.638 851 HD3 LYS 113 2HD LYS 113 -10.990 15.959 -1.443 852 HE2 LYS 113 1HE LYS 113 -11.248 14.236 0.329 853 HE3 LYS 113 2HE LYS 113 -9.804 14.851 1.135 854 HZ1 LYS 113 3HZ LYS 113 -12.261 16.432 0.603 855 HZ2 LYS 113 1HZ LYS 113 -10.891 16.959 1.455 856 HZ3 LYS 113 2HZ LYS 113 -11.862 15.718 2.093 857 H VAL 114 H VAL 114 -9.272 14.195 -5.804 858 HA VAL 114 HA VAL 114 -7.136 15.543 -7.408 859 HB VAL 114 HB VAL 114 -7.905 14.148 -9.340 860 HG11 VAL 114 1HG1 VAL 114 -6.960 12.555 -6.917 861 HG12 VAL 114 2HG1 VAL 114 -5.923 13.464 -8.016 862 HG13 VAL 114 3HG1 VAL 114 -6.798 12.050 -8.601 863 HG21 VAL 114 3HG2 VAL 114 -9.532 12.683 -7.204 864 HG22 VAL 114 1HG2 VAL 114 -9.269 12.096 -8.842 865 HG23 VAL 114 2HG2 VAL 114 -10.185 13.570 -8.580 866 H LEU 115 H LEU 115 -7.756 17.269 -8.515 867 HA LEU 115 HA LEU 115 -10.547 18.199 -8.307 868 HB2 LEU 115 1HB LEU 115 -8.089 19.616 -9.433 869 HB3 LEU 115 2HB LEU 115 -9.637 20.354 -9.012 870 HG LEU 115 HG LEU 115 -7.694 19.038 -7.055 871 HD11 LEU 115 1HD1 LEU 115 -8.427 21.962 -7.446 872 HD12 LEU 115 2HD1 LEU 115 -6.898 21.215 -7.909 873 HD13 LEU 115 3HD1 LEU 115 -7.341 21.332 -6.207 874 HD21 LEU 115 3HD2 LEU 115 -9.275 20.179 -5.312 875 HD22 LEU 115 1HD2 LEU 115 -9.849 18.704 -6.078 876 HD23 LEU 115 2HD2 LEU 115 -10.453 20.268 -6.625 877 H GLU 116 H GLU 116 -11.909 17.644 -9.854 878 HA GLU 116 HA GLU 116 -11.046 16.716 -12.464 879 HB2 GLU 116 1HB GLU 116 -13.042 15.794 -11.273 880 HB3 GLU 116 2HB GLU 116 -13.861 17.342 -11.471 881 HG2 GLU 116 1HG GLU 116 -13.683 17.114 -13.949 882 HG3 GLU 116 2HG GLU 116 -12.854 15.576 -13.745 883 H HIS 117 H HIS 117 -13.304 19.330 -11.537 884 HA HIS 117 HA HIS 117 -12.972 20.697 -14.068 885 HB2 HIS 117 1HB HIS 117 -14.385 21.543 -11.500 886 HB3 HIS 117 2HB HIS 117 -14.555 22.317 -13.078 887 HD1 HIS 117 HD1 HIS 117 -15.437 20.585 -15.046 888 HD2 HIS 117 HD2 HIS 117 -16.193 19.495 -11.092 889 HE1 HIS 117 HE1 HIS 117 -17.263 18.832 -15.121 890 HE2 HIS 117 HE2 HIS 117 -17.735 18.158 -12.720 891 H HIS 118 H HIS 118 -12.113 22.795 -14.326 892 HA HIS 118 HA HIS 118 -9.643 23.275 -13.006 893 HB2 HIS 118 1HB HIS 118 -11.326 25.165 -14.705 894 HB3 HIS 118 2HB HIS 118 -9.618 25.376 -14.314 895 HD1 HIS 118 HD1 HIS 118 -8.126 23.091 -15.023 896 HD2 HIS 118 HD2 HIS 118 -11.656 23.850 -17.106 897 HE1 HIS 118 HE1 HIS 118 -7.992 21.754 -17.171 898 HE2 HIS 118 HE2 HIS 118 -10.138 22.206 -18.452 899 H HIS 119 H HIS 119 -9.159 24.456 -11.224 900 HA HIS 119 HA HIS 119 -11.199 25.289 -9.416 901 HB2 HIS 119 1HB HIS 119 -8.922 24.559 -8.699 902 HB3 HIS 119 2HB HIS 119 -8.237 26.023 -9.397 903 HD1 HIS 119 HD1 HIS 119 -10.610 24.902 -6.648 904 HD2 HIS 119 HD2 HIS 119 -8.475 28.304 -7.765 905 HE1 HIS 119 HE1 HIS 119 -10.883 26.571 -4.762 906 HE2 HIS 119 HE2 HIS 119 -9.588 28.651 -5.428 907 H HIS 120 H HIS 120 -9.065 27.063 -11.633 908 HA HIS 120 HA HIS 120 -9.830 29.687 -10.892 909 HB2 HIS 120 1HB HIS 120 -8.864 28.648 -13.587 910 HB3 HIS 120 2HB HIS 120 -8.864 30.336 -13.075 911 HD1 HIS 120 HD1 HIS 120 -7.427 30.755 -10.744 912 HD2 HIS 120 HD2 HIS 120 -6.523 27.328 -12.939 913 HE1 HIS 120 HE1 HIS 120 -5.150 29.975 -9.951 914 HE2 HIS 120 HE2 HIS 120 -4.586 27.887 -11.280 915 H HIS 121 H HIS 121 -12.023 30.004 -10.729 916 HA HIS 121 HA HIS 121 -13.976 29.057 -12.579 917 HB2 HIS 121 1HB HIS 121 -14.526 29.738 -10.254 918 HB3 HIS 121 2HB HIS 121 -14.140 31.409 -10.648 919 HD1 HIS 121 HD1 HIS 121 -16.556 28.662 -11.742 920 HD2 HIS 121 HD2 HIS 121 -16.274 32.822 -11.749 921 HE1 HIS 121 HE1 HIS 121 -18.766 29.530 -12.627 922 HE2 HIS 121 HE2 HIS 121 -18.608 32.063 -12.639 923 H HIS 122 H HIS 122 -12.264 32.160 -12.257 924 HA HIS 122 HA HIS 122 -13.610 33.543 -14.337 925 HB2 HIS 122 1HB HIS 122 -11.630 35.069 -14.249 926 HB3 HIS 122 2HB HIS 122 -12.279 34.718 -12.648 927 HD1 HIS 122 HD1 HIS 122 -10.844 33.308 -11.045 928 HD2 HIS 122 HD2 HIS 122 -9.086 33.836 -14.788 929 HE1 HIS 122 HE1 HIS 122 -8.448 32.517 -10.828 930 HE2 HIS 122 HE2 HIS 122 -7.362 32.832 -13.103
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