NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18232 | 2djt | 10259 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -20.769 4.995 -10.150 2 HA2 GLY 1 1HA GLY 1 -21.000 3.954 -12.566 3 HA3 GLY 1 2HA GLY 1 -19.678 3.445 -11.526 4 H SER 2 H SER 2 -19.545 1.359 -10.961 5 HA SER 2 HA SER 2 -21.916 -0.333 -11.074 6 HB2 SER 2 1HB SER 2 -20.615 -0.274 -13.341 7 HB3 SER 2 2HB SER 2 -19.454 -1.298 -12.496 8 HG SER 2 HG SER 2 -21.484 -2.550 -11.933 9 H SER 3 H SER 3 -21.746 -2.244 -9.872 10 HA SER 3 HA SER 3 -20.084 -2.108 -7.601 11 HB2 SER 3 1HB SER 3 -22.358 -3.292 -7.877 12 HB3 SER 3 2HB SER 3 -21.426 -4.639 -8.531 13 HG SER 3 HG SER 3 -21.865 -4.088 -6.004 14 H GLY 4 H GLY 4 -20.017 -4.310 -10.403 15 HA2 GLY 4 1HA GLY 4 -18.093 -5.124 -11.466 16 HA3 GLY 4 2HA GLY 4 -17.126 -4.532 -10.123 17 H SER 5 H SER 5 -16.258 -6.819 -10.741 18 HA SER 5 HA SER 5 -17.273 -8.626 -8.696 19 HB2 SER 5 1HB SER 5 -16.990 -9.443 -11.597 20 HB3 SER 5 2HB SER 5 -17.275 -10.557 -10.260 21 HG SER 5 HG SER 5 -19.158 -9.704 -11.538 22 H SER 6 H SER 6 -15.676 -9.668 -7.665 23 HA SER 6 HA SER 6 -12.968 -9.451 -8.800 24 HB2 SER 6 1HB SER 6 -13.388 -8.239 -6.649 25 HB3 SER 6 2HB SER 6 -13.724 -9.794 -5.889 26 HG SER 6 HG SER 6 -11.291 -8.835 -6.953 27 H GLY 7 H GLY 7 -11.448 -11.206 -8.117 28 HA2 GLY 7 1HA GLY 7 -12.788 -13.783 -8.483 29 HA3 GLY 7 2HA GLY 7 -11.076 -13.462 -8.722 30 H GLN 8 H GLN 8 -11.285 -15.630 -7.441 31 HA GLN 8 HA GLN 8 -11.496 -15.161 -4.567 32 HB2 GLN 8 1HB GLN 8 -12.632 -17.126 -5.324 33 HB3 GLN 8 2HB GLN 8 -11.216 -17.675 -6.211 34 HG2 GLN 8 1HG GLN 8 -11.190 -17.342 -3.232 35 HG3 GLN 8 2HG GLN 8 -11.748 -18.824 -4.007 36 HE21 GLN 8 1HE2 GLN 8 -9.076 -17.052 -2.935 37 HE22 GLN 8 2HE2 GLN 8 -7.835 -18.081 -3.554 38 H ALA 9 H ALA 9 -9.164 -16.457 -6.918 39 HA ALA 9 HA ALA 9 -7.051 -16.458 -4.932 40 HB1 ALA 9 1HB ALA 9 -6.866 -18.288 -6.342 41 HB2 ALA 9 2HB ALA 9 -7.250 -17.344 -7.783 42 HB3 ALA 9 3HB ALA 9 -5.678 -17.165 -7.004 43 H SER 10 H SER 10 -8.107 -13.904 -5.363 44 HA SER 10 HA SER 10 -6.944 -12.268 -7.226 45 HB2 SER 10 1HB SER 10 -7.210 -10.435 -5.622 46 HB3 SER 10 2HB SER 10 -8.608 -11.508 -5.570 47 HG SER 10 HG SER 10 -7.681 -10.857 -3.485 48 H GLY 11 H GLY 11 -5.507 -13.543 -4.271 49 HA2 GLY 11 1HA GLY 11 -3.231 -13.915 -3.897 50 HA3 GLY 11 2HA GLY 11 -2.863 -12.960 -5.325 51 H HIS 12 H HIS 12 -4.133 -10.587 -4.756 52 HA HIS 12 HA HIS 12 -2.367 -9.525 -2.710 53 HB2 HIS 12 1HB HIS 12 -3.534 -7.321 -3.536 54 HB3 HIS 12 2HB HIS 12 -2.326 -8.116 -4.542 55 HD1 HIS 12 1HD HIS 12 -5.938 -7.264 -4.394 56 HD2 HIS 12 2HD HIS 12 -3.349 -9.390 -6.852 57 HE1 HIS 12 1HE HIS 12 -7.214 -7.672 -6.522 58 HE2 HIS 12 2HE HIS 12 -5.659 -9.033 -7.961 59 H PHE 13 H PHE 13 -3.029 -8.391 -0.885 60 HA PHE 13 HA PHE 13 -5.867 -8.702 -0.160 61 HB2 PHE 13 1HB PHE 13 -5.151 -9.060 2.172 62 HB3 PHE 13 2HB PHE 13 -4.507 -10.296 1.095 63 HD1 PHE 13 1HD PHE 13 -2.139 -10.384 0.576 64 HD2 PHE 13 2HD PHE 13 -3.709 -7.459 3.239 65 HE1 PHE 13 1HE PHE 13 0.136 -9.900 1.380 66 HE2 PHE 13 2HE PHE 13 -1.437 -6.970 4.047 67 HZ PHE 13 HZ PHE 13 0.489 -8.191 3.117 68 H SER 14 H SER 14 -6.585 -7.183 1.557 69 HA SER 14 HA SER 14 -5.364 -4.546 1.113 70 HB2 SER 14 1HB SER 14 -7.543 -3.607 1.737 71 HB3 SER 14 2HB SER 14 -7.720 -4.766 0.419 72 HG SER 14 HG SER 14 -7.987 -5.668 3.056 73 H VAL 15 H VAL 15 -5.434 -3.016 2.937 74 HA VAL 15 HA VAL 15 -5.132 -4.381 5.533 75 HB VAL 15 HB VAL 15 -3.475 -2.084 4.480 76 HG11 VAL 15 1HG1 VAL 15 -2.985 -1.582 6.585 77 HG12 VAL 15 2HG1 VAL 15 -4.096 -2.832 7.149 78 HG13 VAL 15 3HG1 VAL 15 -2.403 -3.226 6.846 79 HG21 VAL 15 1HG2 VAL 15 -3.127 -4.618 3.783 80 HG22 VAL 15 2HG2 VAL 15 -1.765 -3.543 4.098 81 HG23 VAL 15 3HG2 VAL 15 -2.302 -4.672 5.341 82 H GLU 16 H GLU 16 -6.622 -3.727 6.926 83 HA GLU 16 HA GLU 16 -7.671 -0.986 6.689 84 HB2 GLU 16 1HB GLU 16 -9.227 -3.016 6.406 85 HB3 GLU 16 2HB GLU 16 -9.043 -3.236 8.141 86 HG2 GLU 16 1HG GLU 16 -10.222 -1.341 8.650 87 HG3 GLU 16 2HG GLU 16 -9.852 -0.566 7.110 88 H LEU 17 H LEU 17 -7.073 0.389 8.217 89 HA LEU 17 HA LEU 17 -6.631 -0.601 10.942 90 HB2 LEU 17 1HB LEU 17 -4.778 1.231 9.427 91 HB3 LEU 17 2HB LEU 17 -4.653 0.862 11.145 92 HG LEU 17 HG LEU 17 -4.441 -1.237 8.996 93 HD11 LEU 17 1HD1 LEU 17 -2.653 0.820 9.324 94 HD12 LEU 17 2HD1 LEU 17 -2.294 -0.760 8.627 95 HD13 LEU 17 3HD1 LEU 17 -1.975 -0.457 10.335 96 HD21 LEU 17 1HD2 LEU 17 -3.308 -2.483 10.809 97 HD22 LEU 17 2HD2 LEU 17 -4.993 -2.109 11.173 98 HD23 LEU 17 3HD2 LEU 17 -3.699 -1.169 11.918 99 H VAL 18 H VAL 18 -6.650 1.136 12.568 100 HA VAL 18 HA VAL 18 -8.393 3.358 11.723 101 HB VAL 18 HB VAL 18 -8.252 2.007 14.422 102 HG11 VAL 18 1HG1 VAL 18 -9.609 4.472 13.453 103 HG12 VAL 18 2HG1 VAL 18 -10.436 3.462 14.641 104 HG13 VAL 18 3HG1 VAL 18 -8.849 4.138 15.009 105 HG21 VAL 18 1HG2 VAL 18 -9.567 1.186 12.127 106 HG22 VAL 18 2HG2 VAL 18 -9.916 0.670 13.777 107 HG23 VAL 18 3HG2 VAL 18 -10.813 2.010 13.064 108 H ARG 19 H ARG 19 -7.598 5.341 11.919 109 HA ARG 19 HA ARG 19 -5.052 6.028 12.565 110 HB2 ARG 19 1HB ARG 19 -7.117 7.442 11.694 111 HB3 ARG 19 2HB ARG 19 -7.194 7.939 13.379 112 HG2 ARG 19 1HG ARG 19 -5.047 8.908 13.297 113 HG3 ARG 19 2HG ARG 19 -4.676 8.133 11.756 114 HD2 ARG 19 1HD ARG 19 -6.099 9.555 10.566 115 HD3 ARG 19 2HD ARG 19 -6.962 10.054 12.020 116 HE ARG 19 HE ARG 19 -4.201 10.799 12.065 117 HH11 ARG 19 2HH1 ARG 19 -7.353 11.694 10.889 118 HH12 ARG 19 1HH1 ARG 19 -6.974 13.381 10.772 119 HH21 ARG 19 2HH2 ARG 19 -3.690 13.018 11.916 120 HH22 ARG 19 1HH2 ARG 19 -4.890 14.132 11.356 121 H GLY 20 H GLY 20 -4.016 5.342 14.348 122 HA2 GLY 20 1HA GLY 20 -5.241 5.079 16.900 123 HA3 GLY 20 2HA GLY 20 -3.518 4.988 16.565 124 H TYR 21 H TYR 21 -2.511 7.200 16.037 125 HA TYR 21 HA TYR 21 -3.751 9.467 17.315 126 HB2 TYR 21 1HB TYR 21 -2.959 8.634 19.341 127 HB3 TYR 21 2HB TYR 21 -1.511 7.951 18.611 128 HD1 TYR 21 1HD TYR 21 -3.077 11.019 19.885 129 HD2 TYR 21 2HD TYR 21 0.461 9.298 18.266 130 HE1 TYR 21 1HE TYR 21 -1.803 13.008 20.570 131 HE2 TYR 21 2HE TYR 21 1.745 11.282 18.947 132 HH TYR 21 HH TYR 21 0.339 13.787 20.938 133 H ALA 22 H ALA 22 -3.363 10.961 15.822 134 HA ALA 22 HA ALA 22 -2.316 12.235 14.247 135 HB1 ALA 22 1HB ALA 22 -0.245 11.810 16.350 136 HB2 ALA 22 2HB ALA 22 0.190 12.659 14.865 137 HB3 ALA 22 3HB ALA 22 -1.101 13.283 15.892 138 H GLY 23 H GLY 23 -2.676 9.851 13.183 139 HA2 GLY 23 1HA GLY 23 -1.604 9.242 11.036 140 HA3 GLY 23 2HA GLY 23 -0.085 9.197 11.919 141 H PHE 24 H PHE 24 -0.168 7.016 10.771 142 HA PHE 24 HA PHE 24 -1.618 5.064 12.433 143 HB2 PHE 24 1HB PHE 24 -0.744 4.995 9.555 144 HB3 PHE 24 2HB PHE 24 -1.103 3.511 10.432 145 HD1 PHE 24 1HD PHE 24 -3.392 3.158 11.354 146 HD2 PHE 24 2HD PHE 24 -2.462 6.376 8.728 147 HE1 PHE 24 1HE PHE 24 -5.786 3.445 10.864 148 HE2 PHE 24 2HE PHE 24 -4.854 6.669 8.235 149 HZ PHE 24 HZ PHE 24 -6.520 5.204 9.304 150 H GLY 25 H GLY 25 1.444 6.284 11.631 151 HA2 GLY 25 1HA GLY 25 3.501 5.752 12.547 152 HA3 GLY 25 2HA GLY 25 2.736 4.415 13.394 153 H LEU 26 H LEU 26 2.454 4.797 9.939 154 HA LEU 26 HA LEU 26 4.147 2.412 9.602 155 HB2 LEU 26 1HB LEU 26 1.764 2.123 9.037 156 HB3 LEU 26 2HB LEU 26 1.913 3.406 7.838 157 HG LEU 26 HG LEU 26 3.594 1.970 6.649 158 HD11 LEU 26 1HD1 LEU 26 3.503 0.480 8.988 159 HD12 LEU 26 2HD1 LEU 26 4.290 0.028 7.476 160 HD13 LEU 26 3HD1 LEU 26 2.640 -0.503 7.804 161 HD21 LEU 26 1HD2 LEU 26 1.693 1.795 5.470 162 HD22 LEU 26 2HD2 LEU 26 0.707 1.512 6.905 163 HD23 LEU 26 3HD2 LEU 26 1.607 0.181 6.176 164 H THR 27 H THR 27 5.883 2.508 8.311 165 HA THR 27 HA THR 27 6.241 4.931 6.668 166 HB THR 27 HB THR 27 8.609 3.442 7.724 167 HG1 THR 27 1HG THR 27 8.505 4.550 9.653 168 HG21 THR 27 1HG2 THR 27 8.711 6.320 7.802 169 HG22 THR 27 2HG2 THR 27 8.183 5.765 6.213 170 HG23 THR 27 3HG2 THR 27 9.708 5.191 6.886 171 H LEU 28 H LEU 28 7.278 4.704 4.673 172 HA LEU 28 HA LEU 28 7.516 1.930 3.707 173 HB2 LEU 28 1HB LEU 28 6.267 4.344 2.512 174 HB3 LEU 28 2HB LEU 28 7.076 3.214 1.428 175 HG LEU 28 HG LEU 28 4.973 2.276 3.351 176 HD11 LEU 28 1HD1 LEU 28 3.966 2.634 0.686 177 HD12 LEU 28 2HD1 LEU 28 4.516 4.174 1.346 178 HD13 LEU 28 3HD1 LEU 28 3.317 3.219 2.218 179 HD21 LEU 28 1HD2 LEU 28 6.000 1.263 0.702 180 HD22 LEU 28 2HD2 LEU 28 4.695 0.531 1.635 181 HD23 LEU 28 3HD2 LEU 28 6.331 0.575 2.292 182 H GLY 29 H GLY 29 9.253 1.399 2.414 183 HA2 GLY 29 1HA GLY 29 11.322 3.495 2.155 184 HA3 GLY 29 2HA GLY 29 11.691 1.819 2.536 185 H GLY 30 H GLY 30 12.217 3.835 0.210 186 HA2 GLY 30 1HA GLY 30 13.002 3.190 -1.928 187 HA3 GLY 30 2HA GLY 30 11.947 1.786 -1.865 188 H GLY 31 H GLY 31 10.444 1.882 -3.388 189 HA2 GLY 31 1HA GLY 31 8.562 2.694 -4.480 190 HA3 GLY 31 2HA GLY 31 8.731 4.199 -3.589 191 H ARG 32 H ARG 32 8.065 4.892 -5.874 192 HA ARG 32 HA ARG 32 10.223 4.914 -7.807 193 HB2 ARG 32 1HB ARG 32 7.617 4.813 -8.210 194 HB3 ARG 32 2HB ARG 32 7.752 6.564 -8.120 195 HG2 ARG 32 1HG ARG 32 9.568 5.032 -9.924 196 HG3 ARG 32 2HG ARG 32 7.905 5.359 -10.415 197 HD2 ARG 32 1HD ARG 32 8.236 7.649 -10.475 198 HD3 ARG 32 2HD ARG 32 9.619 7.579 -9.385 199 HE ARG 32 HE ARG 32 10.968 7.314 -11.203 200 HH11 ARG 32 2HH1 ARG 32 7.714 6.459 -12.098 201 HH12 ARG 32 1HH1 ARG 32 8.093 6.241 -13.774 202 HH21 ARG 32 2HH2 ARG 32 11.480 7.031 -13.408 203 HH22 ARG 32 1HH2 ARG 32 10.236 6.566 -14.518 204 H ASP 33 H ASP 33 11.876 6.229 -7.341 205 HA ASP 33 HA ASP 33 11.245 9.014 -6.612 206 HB2 ASP 33 1HB ASP 33 13.676 8.862 -5.594 207 HB3 ASP 33 2HB ASP 33 12.277 8.319 -4.673 208 H VAL 34 H VAL 34 12.572 10.641 -7.492 209 HA VAL 34 HA VAL 34 13.354 10.264 -10.154 210 HB VAL 34 HB VAL 34 14.683 12.498 -9.637 211 HG11 VAL 34 1HG1 VAL 34 12.206 13.555 -9.565 212 HG12 VAL 34 2HG1 VAL 34 12.947 12.896 -11.025 213 HG13 VAL 34 3HG1 VAL 34 11.828 11.912 -10.081 214 HG21 VAL 34 1HG2 VAL 34 14.123 11.918 -7.103 215 HG22 VAL 34 2HG2 VAL 34 14.222 13.579 -7.687 216 HG23 VAL 34 3HG2 VAL 34 12.650 12.803 -7.499 217 H ALA 35 H ALA 35 14.976 9.492 -7.277 218 HA ALA 35 HA ALA 35 17.599 9.489 -8.599 219 HB1 ALA 35 1HB ALA 35 17.999 10.504 -6.601 220 HB2 ALA 35 2HB ALA 35 16.718 9.623 -5.768 221 HB3 ALA 35 3HB ALA 35 18.252 8.827 -6.119 222 H GLY 36 H GLY 36 15.209 7.513 -8.753 223 HA2 GLY 36 1HA GLY 36 16.357 5.235 -9.514 224 HA3 GLY 36 2HA GLY 36 16.453 5.070 -7.767 225 H ASP 37 H ASP 37 15.000 3.414 -9.658 226 HA ASP 37 HA ASP 37 12.233 3.937 -8.795 227 HB2 ASP 37 1HB ASP 37 11.461 2.748 -10.723 228 HB3 ASP 37 2HB ASP 37 12.683 3.891 -11.274 229 H THR 38 H THR 38 11.817 2.794 -7.018 230 HA THR 38 HA THR 38 12.521 -0.065 -7.022 231 HB THR 38 HB THR 38 12.738 0.137 -4.499 232 HG1 THR 38 1HG THR 38 11.815 2.418 -4.677 233 HG21 THR 38 1HG2 THR 38 14.648 1.084 -6.545 234 HG22 THR 38 2HG2 THR 38 14.810 -0.204 -5.351 235 HG23 THR 38 3HG2 THR 38 15.045 1.478 -4.873 236 HA PRO 39 HA PRO 39 8.258 -0.769 -6.193 237 HB2 PRO 39 1HB PRO 39 8.428 -3.199 -4.994 238 HB3 PRO 39 2HB PRO 39 8.665 -2.966 -6.730 239 HG2 PRO 39 1HG PRO 39 10.708 -3.254 -4.560 240 HG3 PRO 39 2HG PRO 39 10.683 -3.981 -6.178 241 HD2 PRO 39 1HD PRO 39 12.177 -1.802 -5.582 242 HD3 PRO 39 2HD PRO 39 11.468 -2.064 -7.188 243 H LEU 40 H LEU 40 7.208 0.355 -4.677 244 HA LEU 40 HA LEU 40 8.035 1.041 -2.162 245 HB2 LEU 40 1HB LEU 40 5.372 0.765 -3.445 246 HB3 LEU 40 2HB LEU 40 5.421 0.987 -1.698 247 HG LEU 40 HG LEU 40 6.677 2.874 -3.687 248 HD11 LEU 40 1HD1 LEU 40 4.130 3.299 -2.148 249 HD12 LEU 40 2HD1 LEU 40 4.162 2.694 -3.803 250 HD13 LEU 40 3HD1 LEU 40 4.807 4.294 -3.437 251 HD21 LEU 40 1HD2 LEU 40 5.993 3.907 -1.073 252 HD22 LEU 40 2HD2 LEU 40 7.526 3.965 -1.943 253 HD23 LEU 40 3HD2 LEU 40 7.119 2.554 -0.965 254 H ALA 41 H ALA 41 8.228 0.072 -0.241 255 HA ALA 41 HA ALA 41 6.678 -2.274 0.432 256 HB1 ALA 41 1HB ALA 41 8.574 -3.730 0.842 257 HB2 ALA 41 2HB ALA 41 8.544 -3.230 -0.850 258 HB3 ALA 41 3HB ALA 41 9.683 -2.482 0.269 259 H VAL 42 H VAL 42 6.281 -2.342 2.562 260 HA VAL 42 HA VAL 42 6.669 -0.326 4.307 261 HB VAL 42 HB VAL 42 6.663 -3.264 5.010 262 HG11 VAL 42 1HG1 VAL 42 6.987 -0.916 6.662 263 HG12 VAL 42 2HG1 VAL 42 5.534 -1.816 7.099 264 HG13 VAL 42 3HG1 VAL 42 7.103 -2.621 7.094 265 HG21 VAL 42 1HG2 VAL 42 4.272 -1.666 5.517 266 HG22 VAL 42 2HG2 VAL 42 4.694 -1.782 3.809 267 HG23 VAL 42 3HG2 VAL 42 4.438 -3.248 4.755 268 H ARG 43 H ARG 43 8.184 0.381 5.756 269 HA ARG 43 HA ARG 43 10.841 -0.879 5.566 270 HB2 ARG 43 1HB ARG 43 10.401 1.539 4.679 271 HB3 ARG 43 2HB ARG 43 10.442 1.977 6.382 272 HG2 ARG 43 1HG ARG 43 12.669 0.356 5.251 273 HG3 ARG 43 2HG ARG 43 12.601 2.088 4.918 274 HD2 ARG 43 1HD ARG 43 12.721 2.631 7.215 275 HD3 ARG 43 2HD ARG 43 12.398 0.966 7.700 276 HE ARG 43 HE ARG 43 14.743 0.953 6.208 277 HH11 ARG 43 2HH1 ARG 43 13.576 2.273 9.211 278 HH12 ARG 43 1HH1 ARG 43 15.130 2.247 9.976 279 HH21 ARG 43 2HH2 ARG 43 16.794 0.914 7.205 280 HH22 ARG 43 1HH2 ARG 43 16.960 1.475 8.834 281 H GLY 44 H GLY 44 9.283 1.432 7.794 282 HA2 GLY 44 1HA GLY 44 10.183 -0.297 10.017 283 HA3 GLY 44 2HA GLY 44 10.158 1.458 10.104 284 H LEU 45 H LEU 45 8.867 -0.452 11.868 285 HA LEU 45 HA LEU 45 6.059 0.323 11.422 286 HB2 LEU 45 1HB LEU 45 7.247 -2.197 12.522 287 HB3 LEU 45 2HB LEU 45 5.605 -1.713 12.943 288 HG LEU 45 HG LEU 45 6.431 -1.978 10.074 289 HD11 LEU 45 1HD1 LEU 45 5.813 -4.155 12.024 290 HD12 LEU 45 2HD1 LEU 45 7.026 -4.104 10.746 291 HD13 LEU 45 3HD1 LEU 45 5.323 -4.311 10.337 292 HD21 LEU 45 1HD2 LEU 45 3.995 -2.572 9.895 293 HD22 LEU 45 2HD2 LEU 45 4.333 -0.915 10.395 294 HD23 LEU 45 3HD2 LEU 45 3.834 -2.113 11.590 295 H LEU 46 H LEU 46 5.622 1.970 12.738 296 HA LEU 46 HA LEU 46 6.958 2.838 14.948 297 HB2 LEU 46 1HB LEU 46 4.985 3.896 13.731 298 HB3 LEU 46 2HB LEU 46 3.959 2.930 14.789 299 HG LEU 46 HG LEU 46 5.404 4.125 16.665 300 HD11 LEU 46 1HD1 LEU 46 6.893 5.411 15.433 301 HD12 LEU 46 2HD1 LEU 46 5.627 6.562 15.861 302 HD13 LEU 46 3HD1 LEU 46 5.673 5.863 14.242 303 HD21 LEU 46 1HD2 LEU 46 3.640 5.861 16.770 304 HD22 LEU 46 2HD2 LEU 46 3.002 4.233 16.539 305 HD23 LEU 46 3HD2 LEU 46 3.085 5.349 15.176 306 H LYS 47 H LYS 47 7.576 1.678 16.650 307 HA LYS 47 HA LYS 47 6.560 -0.672 17.606 308 HB2 LYS 47 1HB LYS 47 8.682 0.496 18.326 309 HB3 LYS 47 2HB LYS 47 7.692 1.484 19.391 310 HG2 LYS 47 1HG LYS 47 7.480 -1.478 19.580 311 HG3 LYS 47 2HG LYS 47 8.892 -0.673 20.268 312 HD2 LYS 47 1HD LYS 47 7.667 0.399 21.879 313 HD3 LYS 47 2HD LYS 47 6.199 0.425 20.900 314 HE2 LYS 47 1HE LYS 47 5.903 -1.092 22.752 315 HE3 LYS 47 2HE LYS 47 5.968 -2.010 21.247 316 HZ1 LYS 47 1HZ LYS 47 7.604 -2.252 23.524 317 HZ2 LYS 47 2HZ LYS 47 8.570 -1.815 22.206 318 HZ3 LYS 47 3HZ LYS 47 7.599 -3.198 22.121 319 H ASP 48 H ASP 48 4.844 -1.314 18.760 320 HA ASP 48 HA ASP 48 2.882 -1.269 19.912 321 HB2 ASP 48 1HB ASP 48 4.243 -0.115 21.631 322 HB3 ASP 48 2HB ASP 48 3.839 1.431 20.888 323 H GLY 49 H GLY 49 3.079 -0.186 17.202 324 HA2 GLY 49 1HA GLY 49 1.025 1.912 17.219 325 HA3 GLY 49 2HA GLY 49 2.020 1.458 15.843 326 HA PRO 50 HA PRO 50 -2.268 -0.507 15.633 327 HB2 PRO 50 1HB PRO 50 -3.125 0.814 13.421 328 HB3 PRO 50 2HB PRO 50 -3.377 1.423 15.061 329 HG2 PRO 50 1HG PRO 50 -1.287 2.186 13.059 330 HG3 PRO 50 2HG PRO 50 -2.244 3.227 14.130 331 HD2 PRO 50 1HD PRO 50 0.314 2.530 14.680 332 HD3 PRO 50 2HD PRO 50 -0.894 2.807 15.950 333 H ALA 51 H ALA 51 0.310 0.194 13.388 334 HA ALA 51 HA ALA 51 -0.524 -1.760 11.441 335 HB1 ALA 51 1HB ALA 51 1.502 -1.204 10.268 336 HB2 ALA 51 2HB ALA 51 0.735 0.283 10.826 337 HB3 ALA 51 3HB ALA 51 2.136 -0.361 11.682 338 H GLN 52 H GLN 52 2.039 -1.525 13.891 339 HA GLN 52 HA GLN 52 3.133 -4.089 13.366 340 HB2 GLN 52 1HB GLN 52 4.430 -2.350 14.481 341 HB3 GLN 52 2HB GLN 52 3.310 -2.357 15.837 342 HG2 GLN 52 1HG GLN 52 5.285 -3.565 16.442 343 HG3 GLN 52 2HG GLN 52 3.939 -4.695 16.301 344 HE21 GLN 52 1HE2 GLN 52 3.742 -5.742 14.115 345 HE22 GLN 52 2HE2 GLN 52 5.209 -6.256 13.360 346 H ARG 53 H ARG 53 0.736 -2.890 15.667 347 HA ARG 53 HA ARG 53 0.447 -5.220 17.194 348 HB2 ARG 53 1HB ARG 53 -1.329 -2.878 16.607 349 HB3 ARG 53 2HB ARG 53 -1.967 -4.254 17.498 350 HG2 ARG 53 1HG ARG 53 -0.043 -3.969 19.096 351 HG3 ARG 53 2HG ARG 53 0.300 -2.443 18.277 352 HD2 ARG 53 1HD ARG 53 -1.041 -1.718 19.992 353 HD3 ARG 53 2HD ARG 53 -2.240 -1.986 18.727 354 HE ARG 53 HE ARG 53 -2.226 -4.349 19.992 355 HH11 ARG 53 2HH1 ARG 53 -2.428 -1.081 21.174 356 HH12 ARG 53 1HH1 ARG 53 -3.375 -1.503 22.562 357 HH21 ARG 53 2HH2 ARG 53 -3.473 -4.917 21.816 358 HH22 ARG 53 1HH2 ARG 53 -3.968 -3.685 22.926 359 H CYS 54 H CYS 54 -1.306 -4.134 14.300 360 HA CYS 54 HA CYS 54 -3.128 -6.226 14.115 361 HB2 CYS 54 1HB CYS 54 -3.064 -4.097 12.736 362 HB3 CYS 54 2HB CYS 54 -1.836 -4.875 11.745 363 HG CYS 54 HG CYS 54 -4.423 -6.882 12.027 364 H GLY 55 H GLY 55 0.223 -6.029 13.046 365 HA2 GLY 55 1HA GLY 55 1.710 -7.742 12.605 366 HA3 GLY 55 2HA GLY 55 0.444 -8.890 13.015 367 H ARG 56 H ARG 56 -1.056 -7.038 10.868 368 HA ARG 56 HA ARG 56 -0.843 -8.949 8.771 369 HB2 ARG 56 1HB ARG 56 -2.321 -6.402 9.208 370 HB3 ARG 56 2HB ARG 56 -2.130 -6.957 7.550 371 HG2 ARG 56 1HG ARG 56 -3.046 -9.195 8.396 372 HG3 ARG 56 2HG ARG 56 -3.561 -8.286 9.819 373 HD2 ARG 56 1HD ARG 56 -4.567 -6.661 8.017 374 HD3 ARG 56 2HD ARG 56 -4.498 -8.096 6.995 375 HE ARG 56 HE ARG 56 -5.717 -8.901 9.326 376 HH11 ARG 56 2HH1 ARG 56 -6.324 -6.531 6.849 377 HH12 ARG 56 1HH1 ARG 56 -8.046 -6.591 7.031 378 HH21 ARG 56 2HH2 ARG 56 -7.982 -8.989 9.575 379 HH22 ARG 56 1HH2 ARG 56 -8.988 -7.989 8.583 380 H LEU 57 H LEU 57 0.619 -5.837 9.406 381 HA LEU 57 HA LEU 57 1.967 -5.932 6.795 382 HB2 LEU 57 1HB LEU 57 1.315 -3.709 8.688 383 HB3 LEU 57 2HB LEU 57 2.624 -3.529 7.522 384 HG LEU 57 HG LEU 57 -0.250 -4.109 6.810 385 HD11 LEU 57 1HD1 LEU 57 0.676 -1.579 5.896 386 HD12 LEU 57 2HD1 LEU 57 0.949 -1.687 7.635 387 HD13 LEU 57 3HD1 LEU 57 -0.668 -1.942 6.979 388 HD21 LEU 57 1HD2 LEU 57 2.268 -4.011 5.302 389 HD22 LEU 57 2HD2 LEU 57 0.943 -3.081 4.600 390 HD23 LEU 57 3HD2 LEU 57 0.741 -4.805 4.917 391 H GLU 58 H GLU 58 4.104 -6.260 6.668 392 HA GLU 58 HA GLU 58 5.738 -5.961 9.083 393 HB2 GLU 58 1HB GLU 58 5.383 -8.446 7.444 394 HB3 GLU 58 2HB GLU 58 6.913 -8.142 8.255 395 HG2 GLU 58 1HG GLU 58 6.025 -8.411 10.343 396 HG3 GLU 58 2HG GLU 58 4.406 -7.933 9.836 397 H VAL 59 H VAL 59 8.037 -5.822 8.652 398 HA VAL 59 HA VAL 59 8.668 -4.099 6.546 399 HB VAL 59 HB VAL 59 10.587 -5.849 8.090 400 HG11 VAL 59 1HG1 VAL 59 12.298 -4.358 7.448 401 HG12 VAL 59 2HG1 VAL 59 11.403 -4.716 5.971 402 HG13 VAL 59 3HG1 VAL 59 11.146 -3.186 6.810 403 HG21 VAL 59 1HG2 VAL 59 9.505 -4.669 9.759 404 HG22 VAL 59 2HG2 VAL 59 10.857 -3.604 9.373 405 HG23 VAL 59 3HG2 VAL 59 9.249 -3.254 8.738 406 H GLY 60 H GLY 60 8.919 -4.473 4.449 407 HA2 GLY 60 1HA GLY 60 10.291 -5.697 2.790 408 HA3 GLY 60 2HA GLY 60 9.795 -7.169 3.611 409 H ASP 61 H ASP 61 7.038 -6.251 3.968 410 HA ASP 61 HA ASP 61 5.763 -7.433 1.884 411 HB2 ASP 61 1HB ASP 61 4.821 -5.090 3.543 412 HB3 ASP 61 2HB ASP 61 3.772 -6.004 2.464 413 H LEU 62 H LEU 62 4.986 -6.886 -0.114 414 HA LEU 62 HA LEU 62 6.110 -4.444 -1.281 415 HB2 LEU 62 1HB LEU 62 4.873 -6.791 -2.704 416 HB3 LEU 62 2HB LEU 62 5.821 -5.489 -3.419 417 HG LEU 62 HG LEU 62 6.956 -7.464 -1.448 418 HD11 LEU 62 1HD1 LEU 62 7.870 -8.678 -3.317 419 HD12 LEU 62 2HD1 LEU 62 7.120 -7.560 -4.456 420 HD13 LEU 62 3HD1 LEU 62 6.113 -8.616 -3.465 421 HD21 LEU 62 1HD2 LEU 62 7.995 -5.201 -3.049 422 HD22 LEU 62 2HD2 LEU 62 9.019 -6.631 -2.922 423 HD23 LEU 62 3HD2 LEU 62 8.489 -5.793 -1.463 424 H VAL 63 H VAL 63 4.874 -2.900 -2.258 425 HA VAL 63 HA VAL 63 1.966 -3.141 -1.870 426 HB VAL 63 HB VAL 63 3.438 -0.556 -2.326 427 HG11 VAL 63 1HG1 VAL 63 1.502 0.493 -1.656 428 HG12 VAL 63 2HG1 VAL 63 0.855 -0.921 -2.492 429 HG13 VAL 63 3HG1 VAL 63 0.940 -0.898 -0.730 430 HG21 VAL 63 1HG2 VAL 63 2.857 -0.651 0.370 431 HG22 VAL 63 2HG2 VAL 63 3.488 -2.262 0.027 432 HG23 VAL 63 3HG2 VAL 63 4.453 -0.838 -0.357 433 H LEU 64 H LEU 64 0.715 -3.302 -3.606 434 HA LEU 64 HA LEU 64 1.864 -2.654 -6.230 435 HB2 LEU 64 1HB LEU 64 -0.471 -4.405 -5.478 436 HB3 LEU 64 2HB LEU 64 0.043 -4.074 -7.131 437 HG LEU 64 HG LEU 64 1.565 -5.605 -5.026 438 HD11 LEU 64 1HD1 LEU 64 0.538 -6.507 -7.707 439 HD12 LEU 64 2HD1 LEU 64 -0.334 -6.745 -6.193 440 HD13 LEU 64 3HD1 LEU 64 1.243 -7.498 -6.430 441 HD21 LEU 64 1HD2 LEU 64 2.492 -4.188 -7.379 442 HD22 LEU 64 2HD2 LEU 64 2.849 -5.914 -7.459 443 HD23 LEU 64 3HD2 LEU 64 3.413 -4.958 -6.087 444 H HIS 65 H HIS 65 -0.896 -2.071 -4.134 445 HA HIS 65 HA HIS 65 -1.522 0.324 -5.659 446 HB2 HIS 65 1HB HIS 65 -3.660 -1.730 -5.067 447 HB3 HIS 65 2HB HIS 65 -3.873 -0.199 -5.911 448 HD1 HIS 65 1HD HIS 65 -1.979 -0.150 -8.105 449 HD2 HIS 65 2HD HIS 65 -3.678 -3.732 -6.863 450 HE1 HIS 65 1HE HIS 65 -1.759 -1.712 -10.063 451 HE2 HIS 65 2HE HIS 65 -2.870 -3.847 -9.318 452 H ILE 66 H ILE 66 -3.393 1.530 -4.517 453 HA ILE 66 HA ILE 66 -3.506 1.039 -1.652 454 HB ILE 66 HB ILE 66 -2.351 3.571 -2.818 455 HG12 ILE 66 1HG1 ILE 66 -1.259 1.603 -0.795 456 HG13 ILE 66 2HG1 ILE 66 -0.772 1.700 -2.484 457 HG21 ILE 66 1HG2 ILE 66 -2.276 3.759 -0.048 458 HG22 ILE 66 2HG2 ILE 66 -3.318 4.666 -1.142 459 HG23 ILE 66 3HG2 ILE 66 -3.898 3.170 -0.411 460 HD11 ILE 66 1HD1 ILE 66 0.571 3.453 -2.121 461 HD12 ILE 66 2HD1 ILE 66 -0.547 4.209 -0.985 462 HD13 ILE 66 3HD1 ILE 66 0.514 2.908 -0.445 463 H ASN 67 H ASN 67 -5.414 1.628 -0.791 464 HA ASN 67 HA ASN 67 -7.614 2.228 -0.748 465 HB2 ASN 67 1HB ASN 67 -6.132 4.633 -1.691 466 HB3 ASN 67 2HB ASN 67 -7.890 4.676 -1.779 467 HD21 ASN 67 1HD2 ASN 67 -5.316 5.410 0.100 468 HD22 ASN 67 2HD2 ASN 67 -6.077 5.422 1.651 469 H GLY 68 H GLY 68 -6.893 0.624 -2.975 470 HA2 GLY 68 1HA GLY 68 -7.867 -0.164 -4.900 471 HA3 GLY 68 2HA GLY 68 -9.194 0.946 -4.587 472 H GLU 69 H GLU 69 -5.964 2.173 -4.879 473 HA GLU 69 HA GLU 69 -6.646 3.228 -7.546 474 HB2 GLU 69 1HB GLU 69 -4.992 4.563 -5.395 475 HB3 GLU 69 2HB GLU 69 -5.336 5.226 -6.987 476 HG2 GLU 69 1HG GLU 69 -7.622 5.511 -6.484 477 HG3 GLU 69 2HG GLU 69 -7.498 4.530 -5.025 478 H SER 70 H SER 70 -4.988 3.402 -9.076 479 HA SER 70 HA SER 70 -2.941 1.400 -8.830 480 HB2 SER 70 1HB SER 70 -4.313 2.173 -10.946 481 HB3 SER 70 2HB SER 70 -3.007 3.348 -11.102 482 HG SER 70 HG SER 70 -2.587 0.558 -10.825 483 H THR 71 H THR 71 -0.889 1.670 -8.242 484 HA THR 71 HA THR 71 0.056 4.389 -7.707 485 HB THR 71 HB THR 71 0.152 2.539 -5.946 486 HG1 THR 71 1HG THR 71 1.464 4.029 -5.220 487 HG21 THR 71 1HG2 THR 71 1.857 0.918 -6.044 488 HG22 THR 71 2HG2 THR 71 2.642 1.706 -7.413 489 HG23 THR 71 3HG2 THR 71 1.103 0.875 -7.637 490 H GLN 72 H GLN 72 0.096 2.468 -10.273 491 HA GLN 72 HA GLN 72 2.770 2.167 -11.027 492 HB2 GLN 72 1HB GLN 72 0.199 2.397 -12.550 493 HB3 GLN 72 2HB GLN 72 1.729 2.362 -13.416 494 HG2 GLN 72 1HG GLN 72 2.258 0.220 -12.285 495 HG3 GLN 72 2HG GLN 72 0.644 0.245 -11.576 496 HE21 GLN 72 1HE2 GLN 72 -1.109 -0.254 -12.822 497 HE22 GLN 72 2HE2 GLN 72 -0.987 -0.871 -14.431 498 H GLY 73 H GLY 73 1.006 4.993 -10.550 499 HA2 GLY 73 1HA GLY 73 3.074 6.534 -11.976 500 HA3 GLY 73 2HA GLY 73 1.377 6.944 -12.176 501 H LEU 74 H LEU 74 2.032 5.823 -9.067 502 HA LEU 74 HA LEU 74 2.033 8.584 -8.057 503 HB2 LEU 74 1HB LEU 74 1.206 6.036 -6.675 504 HB3 LEU 74 2HB LEU 74 1.112 7.657 -5.991 505 HG LEU 74 HG LEU 74 -0.509 6.549 -8.279 506 HD11 LEU 74 1HD1 LEU 74 -1.524 5.780 -6.360 507 HD12 LEU 74 2HD1 LEU 74 -2.343 7.322 -6.605 508 HD13 LEU 74 3HD1 LEU 74 -1.049 7.191 -5.414 509 HD21 LEU 74 1HD2 LEU 74 -1.547 9.013 -7.535 510 HD22 LEU 74 2HD2 LEU 74 -0.673 8.640 -9.021 511 HD23 LEU 74 3HD2 LEU 74 0.195 9.277 -7.623 512 H THR 75 H THR 75 3.857 9.319 -7.214 513 HA THR 75 HA THR 75 6.090 7.599 -6.718 514 HB THR 75 HB THR 75 7.199 9.705 -5.899 515 HG1 THR 75 1HG THR 75 6.038 11.471 -5.657 516 HG21 THR 75 1HG2 THR 75 7.512 9.114 -8.184 517 HG22 THR 75 2HG2 THR 75 7.123 10.834 -8.155 518 HG23 THR 75 3HG2 THR 75 5.891 9.658 -8.614 519 H HIS 76 H HIS 76 7.369 8.360 -4.545 520 HA HIS 76 HA HIS 76 6.069 7.032 -2.441 521 HB2 HIS 76 1HB HIS 76 8.424 7.035 -2.373 522 HB3 HIS 76 2HB HIS 76 8.515 8.783 -2.565 523 HD1 HIS 76 1HD HIS 76 9.362 9.775 -0.476 524 HD2 HIS 76 2HD HIS 76 6.802 6.589 0.269 525 HE1 HIS 76 1HE HIS 76 9.186 9.625 2.028 526 HE2 HIS 76 2HE HIS 76 7.700 7.638 2.456 527 H ALA 77 H ALA 77 6.186 10.395 -3.356 528 HA ALA 77 HA ALA 77 5.018 11.303 -0.863 529 HB1 ALA 77 1HB ALA 77 5.533 12.831 -3.412 530 HB2 ALA 77 2HB ALA 77 5.109 13.519 -1.845 531 HB3 ALA 77 3HB ALA 77 6.654 12.695 -2.057 532 H GLN 78 H GLN 78 3.992 10.522 -4.112 533 HA GLN 78 HA GLN 78 1.413 11.726 -3.921 534 HB2 GLN 78 1HB GLN 78 2.652 9.726 -5.793 535 HB3 GLN 78 2HB GLN 78 0.945 10.134 -5.900 536 HG2 GLN 78 1HG GLN 78 1.477 12.445 -6.320 537 HG3 GLN 78 2HG GLN 78 3.195 12.124 -6.082 538 HE21 GLN 78 1HE2 GLN 78 4.352 11.068 -7.677 539 HE22 GLN 78 2HE2 GLN 78 3.743 10.854 -9.278 540 H ALA 79 H ALA 79 2.694 8.493 -3.334 541 HA ALA 79 HA ALA 79 0.232 7.175 -2.972 542 HB1 ALA 79 1HB ALA 79 2.355 6.111 -1.309 543 HB2 ALA 79 2HB ALA 79 1.522 5.382 -2.683 544 HB3 ALA 79 3HB ALA 79 2.902 6.447 -2.952 545 H VAL 80 H VAL 80 2.538 8.318 -0.495 546 HA VAL 80 HA VAL 80 1.137 7.813 1.779 547 HB VAL 80 HB VAL 80 2.847 10.199 1.107 548 HG11 VAL 80 1HG1 VAL 80 2.772 9.960 3.878 549 HG12 VAL 80 2HG1 VAL 80 2.051 11.243 2.904 550 HG13 VAL 80 3HG1 VAL 80 1.088 9.841 3.370 551 HG21 VAL 80 1HG2 VAL 80 4.286 8.921 2.872 552 HG22 VAL 80 2HG2 VAL 80 3.262 7.554 2.432 553 HG23 VAL 80 3HG2 VAL 80 4.235 8.360 1.201 554 H GLU 81 H GLU 81 0.765 10.681 -0.288 555 HA GLU 81 HA GLU 81 -1.061 12.123 1.164 556 HB2 GLU 81 1HB GLU 81 -0.114 12.962 -0.907 557 HB3 GLU 81 2HB GLU 81 -0.959 11.727 -1.830 558 HG2 GLU 81 1HG GLU 81 -2.306 13.537 -2.183 559 HG3 GLU 81 2HG GLU 81 -3.089 12.807 -0.783 560 H ARG 82 H ARG 82 -1.893 9.732 -1.352 561 HA ARG 82 HA ARG 82 -4.622 9.722 -1.080 562 HB2 ARG 82 1HB ARG 82 -2.808 7.364 -1.615 563 HB3 ARG 82 2HB ARG 82 -4.547 7.365 -1.875 564 HG2 ARG 82 1HG ARG 82 -2.534 9.110 -3.279 565 HG3 ARG 82 2HG ARG 82 -3.374 7.715 -3.960 566 HD2 ARG 82 1HD ARG 82 -4.635 9.477 -4.761 567 HD3 ARG 82 2HD ARG 82 -5.522 9.019 -3.308 568 HE ARG 82 HE ARG 82 -3.718 10.961 -2.534 569 HH11 ARG 82 2HH1 ARG 82 -6.400 10.698 -4.738 570 HH12 ARG 82 1HH1 ARG 82 -6.846 12.367 -4.601 571 HH21 ARG 82 2HH2 ARG 82 -4.295 13.160 -2.345 572 HH22 ARG 82 1HH2 ARG 82 -5.647 13.766 -3.239 573 H ILE 83 H ILE 83 -2.235 8.097 0.934 574 HA ILE 83 HA ILE 83 -4.017 6.515 2.435 575 HB ILE 83 HB ILE 83 -1.451 7.660 3.516 576 HG12 ILE 83 1HG1 ILE 83 -1.854 5.395 1.560 577 HG13 ILE 83 2HG1 ILE 83 -0.862 6.834 1.348 578 HG21 ILE 83 1HG2 ILE 83 -2.416 4.877 3.953 579 HG22 ILE 83 2HG2 ILE 83 -1.455 5.915 5.003 580 HG23 ILE 83 3HG2 ILE 83 -3.187 6.197 4.832 581 HD11 ILE 83 1HD1 ILE 83 0.107 5.569 3.646 582 HD12 ILE 83 2HD1 ILE 83 -0.164 4.293 2.458 583 HD13 ILE 83 3HD1 ILE 83 0.870 5.665 2.059 584 H ARG 84 H ARG 84 -2.442 9.592 3.330 585 HA ARG 84 HA ARG 84 -3.822 10.008 5.709 586 HB2 ARG 84 1HB ARG 84 -2.603 11.954 3.753 587 HB3 ARG 84 2HB ARG 84 -3.295 12.460 5.289 588 HG2 ARG 84 1HG ARG 84 -1.146 10.375 5.136 589 HG3 ARG 84 2HG ARG 84 -0.778 12.100 5.188 590 HD2 ARG 84 1HD ARG 84 -2.552 10.783 7.223 591 HD3 ARG 84 2HD ARG 84 -0.799 10.833 7.404 592 HE ARG 84 HE ARG 84 -2.635 12.989 7.811 593 HH11 ARG 84 2HH1 ARG 84 0.626 12.187 6.893 594 HH12 ARG 84 1HH1 ARG 84 1.278 13.716 7.380 595 HH21 ARG 84 2HH2 ARG 84 -1.789 15.006 8.457 596 HH22 ARG 84 1HH2 ARG 84 -0.096 15.319 8.270 597 H ALA 85 H ALA 85 -4.573 11.242 2.455 598 HA ALA 85 HA ALA 85 -6.955 12.566 3.202 599 HB1 ALA 85 1HB ALA 85 -7.143 11.773 0.492 600 HB2 ALA 85 2HB ALA 85 -6.712 13.354 1.144 601 HB3 ALA 85 3HB ALA 85 -5.454 12.161 0.820 602 H GLY 86 H GLY 86 -6.222 9.254 2.639 603 HA2 GLY 86 1HA GLY 86 -8.519 8.130 1.683 604 HA3 GLY 86 2HA GLY 86 -7.534 7.382 2.932 605 H GLY 87 H GLY 87 -8.000 9.418 4.923 606 HA2 GLY 87 1HA GLY 87 -10.009 10.382 5.983 607 HA3 GLY 87 2HA GLY 87 -10.867 8.941 5.458 608 HA PRO 88 HA PRO 88 -9.688 8.242 9.851 609 HB2 PRO 88 1HB PRO 88 -12.016 7.010 10.505 610 HB3 PRO 88 2HB PRO 88 -11.820 8.766 10.529 611 HG2 PRO 88 1HG PRO 88 -13.055 7.026 8.428 612 HG3 PRO 88 2HG PRO 88 -13.621 8.579 9.070 613 HD2 PRO 88 1HD PRO 88 -12.315 8.369 6.708 614 HD3 PRO 88 2HD PRO 88 -12.171 9.795 7.755 615 H GLN 89 H GLN 89 -10.479 6.305 7.162 616 HA GLN 89 HA GLN 89 -9.481 3.911 8.558 617 HB2 GLN 89 1HB GLN 89 -11.446 4.004 6.263 618 HB3 GLN 89 2HB GLN 89 -10.833 2.546 7.033 619 HG2 GLN 89 1HG GLN 89 -11.820 3.536 9.194 620 HG3 GLN 89 2HG GLN 89 -12.729 4.589 8.112 621 HE21 GLN 89 1HE2 GLN 89 -13.902 2.741 9.855 622 HE22 GLN 89 2HE2 GLN 89 -14.697 1.531 8.913 623 H LEU 90 H LEU 90 -7.777 2.882 7.683 624 HA LEU 90 HA LEU 90 -6.613 4.043 5.262 625 HB2 LEU 90 1HB LEU 90 -4.951 4.034 6.824 626 HB3 LEU 90 2HB LEU 90 -5.560 2.586 7.623 627 HG LEU 90 HG LEU 90 -4.344 2.330 4.912 628 HD11 LEU 90 1HD1 LEU 90 -2.135 1.981 6.067 629 HD12 LEU 90 2HD1 LEU 90 -2.836 2.776 7.476 630 HD13 LEU 90 3HD1 LEU 90 -2.681 3.654 5.954 631 HD21 LEU 90 1HD2 LEU 90 -4.347 0.154 5.402 632 HD22 LEU 90 2HD2 LEU 90 -5.410 0.575 6.745 633 HD23 LEU 90 3HD2 LEU 90 -3.671 0.427 7.008 634 H HIS 91 H HIS 91 -6.135 2.864 3.450 635 HA HIS 91 HA HIS 91 -6.746 0.005 3.430 636 HB2 HIS 91 1HB HIS 91 -8.778 1.410 2.729 637 HB3 HIS 91 2HB HIS 91 -7.856 1.802 1.281 638 HD1 HIS 91 1HD HIS 91 -7.898 0.127 -0.580 639 HD2 HIS 91 2HD HIS 91 -9.367 -1.421 2.985 640 HE1 HIS 91 1HE HIS 91 -8.843 -2.130 -1.164 641 HE2 HIS 91 2HE HIS 91 -9.802 -3.010 0.992 642 H LEU 92 H LEU 92 -4.877 -0.846 2.785 643 HA LEU 92 HA LEU 92 -3.606 0.271 0.379 644 HB2 LEU 92 1HB LEU 92 -2.059 -0.923 2.661 645 HB3 LEU 92 2HB LEU 92 -1.438 -0.026 1.278 646 HG LEU 92 HG LEU 92 -3.073 1.141 3.531 647 HD11 LEU 92 1HD1 LEU 92 -0.172 0.800 3.089 648 HD12 LEU 92 2HD1 LEU 92 -1.090 0.913 4.591 649 HD13 LEU 92 3HD1 LEU 92 -0.703 2.374 3.683 650 HD21 LEU 92 1HD2 LEU 92 -1.552 2.940 1.820 651 HD22 LEU 92 2HD2 LEU 92 -3.225 3.041 2.368 652 HD23 LEU 92 3HD2 LEU 92 -2.817 2.069 0.953 653 H VAL 93 H VAL 93 -2.827 -1.189 -1.091 654 HA VAL 93 HA VAL 93 -3.667 -3.958 -0.691 655 HB VAL 93 HB VAL 93 -2.578 -2.755 -3.231 656 HG11 VAL 93 1HG1 VAL 93 -3.173 -4.675 -4.259 657 HG12 VAL 93 2HG1 VAL 93 -3.007 -5.346 -2.635 658 HG13 VAL 93 3HG1 VAL 93 -4.600 -4.900 -3.248 659 HG21 VAL 93 1HG2 VAL 93 -4.418 -1.373 -2.731 660 HG22 VAL 93 2HG2 VAL 93 -5.034 -2.576 -3.864 661 HG23 VAL 93 3HG2 VAL 93 -5.380 -2.729 -2.141 662 H ILE 94 H ILE 94 -2.217 -5.296 0.154 663 HA ILE 94 HA ILE 94 0.596 -5.023 -0.685 664 HB ILE 94 HB ILE 94 -0.493 -5.968 1.967 665 HG12 ILE 94 1HG1 ILE 94 -0.410 -3.537 1.726 666 HG13 ILE 94 2HG1 ILE 94 0.819 -4.081 2.863 667 HG21 ILE 94 1HG2 ILE 94 1.387 -7.363 1.243 668 HG22 ILE 94 2HG2 ILE 94 2.368 -5.916 1.016 669 HG23 ILE 94 3HG2 ILE 94 1.814 -6.361 2.630 670 HD11 ILE 94 1HD1 ILE 94 1.733 -2.374 1.451 671 HD12 ILE 94 2HD1 ILE 94 2.495 -3.915 1.056 672 HD13 ILE 94 3HD1 ILE 94 1.245 -3.255 0.003 673 H ARG 95 H ARG 95 1.512 -6.731 -1.638 674 HA ARG 95 HA ARG 95 0.166 -9.341 -1.417 675 HB2 ARG 95 1HB ARG 95 -0.377 -8.525 -3.591 676 HB3 ARG 95 2HB ARG 95 1.275 -7.994 -3.876 677 HG2 ARG 95 1HG ARG 95 1.923 -10.449 -3.707 678 HG3 ARG 95 2HG ARG 95 0.197 -10.791 -3.833 679 HD2 ARG 95 1HD ARG 95 0.338 -9.214 -5.913 680 HD3 ARG 95 2HD ARG 95 2.054 -9.613 -5.852 681 HE ARG 95 HE ARG 95 0.935 -12.038 -5.767 682 HH11 ARG 95 2HH1 ARG 95 0.330 -9.295 -7.822 683 HH12 ARG 95 1HH1 ARG 95 -0.159 -10.254 -9.180 684 HH21 ARG 95 2HH2 ARG 95 0.294 -13.313 -7.546 685 HH22 ARG 95 1HH2 ARG 95 -0.180 -12.540 -9.021 686 H ARG 96 H ARG 96 1.546 -10.352 -0.050 687 HA ARG 96 HA ARG 96 4.288 -10.042 0.147 688 HB2 ARG 96 1HB ARG 96 2.905 -11.254 1.791 689 HB3 ARG 96 2HB ARG 96 2.699 -12.566 0.640 690 HG2 ARG 96 1HG ARG 96 5.190 -12.847 0.658 691 HG3 ARG 96 2HG ARG 96 5.236 -11.697 1.996 692 HD2 ARG 96 1HD ARG 96 3.431 -13.315 3.014 693 HD3 ARG 96 2HD ARG 96 4.163 -14.475 1.907 694 HE ARG 96 HE ARG 96 6.221 -13.237 3.318 695 HH11 ARG 96 2HH1 ARG 96 3.512 -15.335 3.936 696 HH12 ARG 96 1HH1 ARG 96 4.256 -16.112 5.294 697 HH21 ARG 96 2HH2 ARG 96 7.211 -14.252 5.104 698 HH22 ARG 96 1HH2 ARG 96 6.360 -15.495 5.958 699 HA PRO 97 HA PRO 97 5.906 -11.843 -3.538 700 HB2 PRO 97 1HB PRO 97 8.448 -12.272 -2.686 701 HB3 PRO 97 2HB PRO 97 7.826 -10.666 -3.081 702 HG2 PRO 97 1HG PRO 97 8.144 -11.967 -0.404 703 HG3 PRO 97 2HG PRO 97 8.519 -10.304 -0.891 704 HD2 PRO 97 1HD PRO 97 6.257 -10.955 0.448 705 HD3 PRO 97 2HD PRO 97 6.321 -9.627 -0.729 706 H LEU 98 H LEU 98 7.134 -13.811 -4.244 707 HA LEU 98 HA LEU 98 6.189 -16.120 -2.721 708 HB2 LEU 98 1HB LEU 98 5.699 -15.813 -5.178 709 HB3 LEU 98 2HB LEU 98 7.412 -16.103 -5.471 710 HG LEU 98 HG LEU 98 5.678 -18.106 -4.051 711 HD11 LEU 98 1HD1 LEU 98 5.828 -17.458 -6.929 712 HD12 LEU 98 2HD1 LEU 98 4.525 -18.189 -5.994 713 HD13 LEU 98 3HD1 LEU 98 5.906 -19.165 -6.495 714 HD21 LEU 98 1HD2 LEU 98 8.411 -18.047 -5.235 715 HD22 LEU 98 2HD2 LEU 98 7.507 -19.562 -5.245 716 HD23 LEU 98 3HD2 LEU 98 7.853 -18.750 -3.717 717 H SER 99 H SER 99 7.628 -16.633 -1.170 718 HA SER 99 HA SER 99 10.358 -17.274 -2.048 719 HB2 SER 99 1HB SER 99 11.328 -16.299 -0.081 720 HB3 SER 99 2HB SER 99 10.285 -15.077 -0.809 721 HG SER 99 HG SER 99 8.655 -16.094 0.747 722 H GLY 100 H GLY 100 11.477 -18.788 -0.585 723 HA2 GLY 100 1HA GLY 100 9.563 -20.768 0.424 724 HA3 GLY 100 2HA GLY 100 11.244 -21.074 0.013 725 HA PRO 101 HA PRO 101 10.484 -20.000 4.652 726 HB2 PRO 101 1HB PRO 101 9.893 -22.442 5.682 727 HB3 PRO 101 2HB PRO 101 8.655 -21.305 5.135 728 HG2 PRO 101 1HG PRO 101 9.808 -23.676 3.717 729 HG3 PRO 101 2HG PRO 101 8.118 -23.149 3.825 730 HD2 PRO 101 1HD PRO 101 9.658 -22.667 1.651 731 HD3 PRO 101 2HD PRO 101 8.377 -21.557 2.180 732 H SER 102 H SER 102 12.304 -19.993 5.822 733 HA SER 102 HA SER 102 14.615 -21.373 4.976 734 HB2 SER 102 1HB SER 102 15.718 -20.365 6.864 735 HB3 SER 102 2HB SER 102 14.584 -19.183 6.211 736 HG SER 102 HG SER 102 14.693 -19.758 8.642 737 H SER 103 H SER 103 15.667 -23.150 5.774 738 HA SER 103 HA SER 103 14.319 -24.670 7.901 739 HB2 SER 103 1HB SER 103 15.450 -25.864 5.359 740 HB3 SER 103 2HB SER 103 14.664 -26.745 6.669 741 HG SER 103 HG SER 103 12.904 -26.388 5.588 742 H GLY 104 H GLY 104 15.700 -24.754 9.546 743 HA2 GLY 104 1HA GLY 104 17.733 -24.676 10.672 744 HA3 GLY 104 2HA GLY 104 17.964 -26.166 9.769 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -28.756 -14.255 -11.015 2 HA2 GLY 1 1HA GLY 1 -27.761 -12.087 -11.349 3 HA3 GLY 1 2HA GLY 1 -27.592 -11.944 -9.605 4 H SER 2 H SER 2 -25.416 -11.338 -10.963 5 HA SER 2 HA SER 2 -23.714 -13.489 -11.646 6 HB2 SER 2 1HB SER 2 -23.179 -11.336 -12.521 7 HB3 SER 2 2HB SER 2 -23.160 -10.611 -10.913 8 HG SER 2 HG SER 2 -21.230 -11.487 -10.519 9 H SER 3 H SER 3 -22.564 -14.832 -10.423 10 HA SER 3 HA SER 3 -22.771 -14.741 -7.576 11 HB2 SER 3 1HB SER 3 -21.292 -16.751 -7.659 12 HB3 SER 3 2HB SER 3 -22.712 -16.889 -8.697 13 HG SER 3 HG SER 3 -20.151 -17.078 -9.378 14 H GLY 4 H GLY 4 -20.093 -14.292 -9.872 15 HA2 GLY 4 1HA GLY 4 -18.539 -12.451 -9.397 16 HA3 GLY 4 2HA GLY 4 -18.621 -12.923 -7.706 17 H SER 5 H SER 5 -16.403 -13.214 -7.512 18 HA SER 5 HA SER 5 -14.951 -14.924 -9.298 19 HB2 SER 5 1HB SER 5 -13.074 -14.593 -7.752 20 HB3 SER 5 2HB SER 5 -13.853 -13.055 -8.124 21 HG SER 5 HG SER 5 -14.130 -12.839 -6.064 22 H SER 6 H SER 6 -13.799 -16.867 -8.586 23 HA SER 6 HA SER 6 -15.573 -18.569 -7.016 24 HB2 SER 6 1HB SER 6 -14.343 -20.436 -7.968 25 HB3 SER 6 2HB SER 6 -14.793 -19.320 -9.257 26 HG SER 6 HG SER 6 -12.608 -18.412 -8.918 27 H GLY 7 H GLY 7 -14.232 -16.720 -5.462 28 HA2 GLY 7 1HA GLY 7 -13.382 -17.108 -3.261 29 HA3 GLY 7 2HA GLY 7 -12.515 -18.506 -3.879 30 H GLN 8 H GLN 8 -10.606 -17.711 -2.870 31 HA GLN 8 HA GLN 8 -9.243 -15.703 -4.510 32 HB2 GLN 8 1HB GLN 8 -10.028 -14.513 -2.527 33 HB3 GLN 8 2HB GLN 8 -9.276 -15.715 -1.487 34 HG2 GLN 8 1HG GLN 8 -7.585 -14.247 -3.446 35 HG3 GLN 8 2HG GLN 8 -8.108 -13.426 -1.975 36 HE21 GLN 8 1HE2 GLN 8 -7.886 -15.010 0.011 37 HE22 GLN 8 2HE2 GLN 8 -6.322 -15.729 0.161 38 H ALA 9 H ALA 9 -7.019 -15.978 -4.695 39 HA ALA 9 HA ALA 9 -5.705 -18.104 -3.223 40 HB1 ALA 9 1HB ALA 9 -6.145 -19.654 -4.772 41 HB2 ALA 9 2HB ALA 9 -6.673 -18.455 -5.954 42 HB3 ALA 9 3HB ALA 9 -4.955 -18.808 -5.763 43 H SER 10 H SER 10 -3.805 -17.299 -2.653 44 HA SER 10 HA SER 10 -2.050 -15.809 -2.566 45 HB2 SER 10 1HB SER 10 -1.844 -17.322 -5.141 46 HB3 SER 10 2HB SER 10 -0.659 -16.064 -4.791 47 HG SER 10 HG SER 10 0.064 -18.059 -4.013 48 H GLY 11 H GLY 11 -4.522 -14.575 -3.440 49 HA2 GLY 11 1HA GLY 11 -3.659 -12.677 -5.496 50 HA3 GLY 11 2HA GLY 11 -5.289 -12.845 -4.860 51 H HIS 12 H HIS 12 -3.304 -10.543 -5.161 52 HA HIS 12 HA HIS 12 -2.303 -9.558 -2.840 53 HB2 HIS 12 1HB HIS 12 -3.226 -7.262 -3.751 54 HB3 HIS 12 2HB HIS 12 -1.961 -8.129 -4.616 55 HD1 HIS 12 1HD HIS 12 -5.614 -7.284 -4.806 56 HD2 HIS 12 2HD HIS 12 -2.671 -9.076 -7.128 57 HE1 HIS 12 1HE HIS 12 -6.623 -7.534 -7.096 58 HE2 HIS 12 2HE HIS 12 -4.855 -8.697 -8.461 59 H PHE 13 H PHE 13 -3.030 -8.758 -0.948 60 HA PHE 13 HA PHE 13 -5.944 -8.762 -0.534 61 HB2 PHE 13 1HB PHE 13 -5.384 -9.070 1.885 62 HB3 PHE 13 2HB PHE 13 -4.857 -10.400 0.858 63 HD1 PHE 13 2HD PHE 13 -3.749 -7.485 2.802 64 HD2 PHE 13 1HD PHE 13 -2.549 -10.913 0.583 65 HE1 PHE 13 2HE PHE 13 -1.461 -7.245 3.674 66 HE2 PHE 13 1HE PHE 13 -0.259 -10.679 1.453 67 HZ PHE 13 HZ PHE 13 0.288 -8.842 3.000 68 H SER 14 H SER 14 -6.473 -7.310 1.509 69 HA SER 14 HA SER 14 -5.248 -4.679 0.998 70 HB2 SER 14 1HB SER 14 -7.478 -3.764 1.805 71 HB3 SER 14 2HB SER 14 -7.510 -4.592 0.248 72 HG SER 14 HG SER 14 -8.044 -6.005 2.622 73 H VAL 15 H VAL 15 -5.355 -3.158 2.851 74 HA VAL 15 HA VAL 15 -5.097 -4.573 5.425 75 HB VAL 15 HB VAL 15 -3.408 -2.285 4.407 76 HG11 VAL 15 1HG1 VAL 15 -2.166 -2.785 6.617 77 HG12 VAL 15 2HG1 VAL 15 -3.634 -1.806 6.669 78 HG13 VAL 15 3HG1 VAL 15 -3.691 -3.510 7.124 79 HG21 VAL 15 1HG2 VAL 15 -1.840 -3.782 3.871 80 HG22 VAL 15 2HG2 VAL 15 -2.068 -4.683 5.370 81 HG23 VAL 15 3HG2 VAL 15 -3.118 -4.993 3.988 82 H GLU 16 H GLU 16 -6.592 -3.938 6.820 83 HA GLU 16 HA GLU 16 -7.657 -1.202 6.602 84 HB2 GLU 16 1HB GLU 16 -9.127 -3.384 6.396 85 HB3 GLU 16 2HB GLU 16 -9.055 -3.340 8.152 86 HG2 GLU 16 1HG GLU 16 -10.957 -2.148 7.812 87 HG3 GLU 16 2HG GLU 16 -9.778 -0.838 7.786 88 H LEU 17 H LEU 17 -7.370 0.181 8.233 89 HA LEU 17 HA LEU 17 -6.850 -0.797 10.924 90 HB2 LEU 17 1HB LEU 17 -4.945 1.089 9.549 91 HB3 LEU 17 2HB LEU 17 -4.823 0.483 11.200 92 HG LEU 17 HG LEU 17 -4.719 -1.368 8.837 93 HD11 LEU 17 1HD1 LEU 17 -2.893 0.674 9.251 94 HD12 LEU 17 2HD1 LEU 17 -2.641 -0.788 8.300 95 HD13 LEU 17 3HD1 LEU 17 -2.141 -0.740 9.990 96 HD21 LEU 17 1HD2 LEU 17 -3.117 -2.377 10.770 97 HD22 LEU 17 2HD2 LEU 17 -4.826 -2.774 10.589 98 HD23 LEU 17 3HD2 LEU 17 -4.324 -1.539 11.745 99 H VAL 18 H VAL 18 -6.573 1.156 12.451 100 HA VAL 18 HA VAL 18 -8.352 3.337 11.573 101 HB VAL 18 HB VAL 18 -8.307 2.008 14.286 102 HG11 VAL 18 1HG1 VAL 18 -10.497 3.814 13.863 103 HG12 VAL 18 2HG1 VAL 18 -9.283 3.810 15.144 104 HG13 VAL 18 3HG1 VAL 18 -8.964 4.655 13.628 105 HG21 VAL 18 1HG2 VAL 18 -10.817 1.733 13.539 106 HG22 VAL 18 2HG2 VAL 18 -10.114 1.841 11.925 107 HG23 VAL 18 3HG2 VAL 18 -9.585 0.576 13.034 108 H ARG 19 H ARG 19 -7.389 5.248 11.638 109 HA ARG 19 HA ARG 19 -4.869 5.866 12.356 110 HB2 ARG 19 1HB ARG 19 -6.574 7.394 11.286 111 HB3 ARG 19 2HB ARG 19 -7.166 7.745 12.905 112 HG2 ARG 19 1HG ARG 19 -5.049 8.700 13.528 113 HG3 ARG 19 2HG ARG 19 -4.342 8.227 11.982 114 HD2 ARG 19 1HD ARG 19 -5.553 9.818 10.800 115 HD3 ARG 19 2HD ARG 19 -6.765 9.980 12.069 116 HE ARG 19 HE ARG 19 -4.315 10.826 13.103 117 HH11 ARG 19 2HH1 ARG 19 -6.625 11.781 10.680 118 HH12 ARG 19 1HH1 ARG 19 -6.250 13.468 10.800 119 HH21 ARG 19 2HH2 ARG 19 -3.812 13.045 13.270 120 HH22 ARG 19 1HH2 ARG 19 -4.649 14.186 12.273 121 H GLY 20 H GLY 20 -3.790 5.430 14.164 122 HA2 GLY 20 1HA GLY 20 -5.075 5.149 16.705 123 HA3 GLY 20 2HA GLY 20 -3.346 5.078 16.399 124 H TYR 21 H TYR 21 -3.179 6.258 18.431 125 HA TYR 21 HA TYR 21 -4.237 8.785 18.905 126 HB2 TYR 21 1HB TYR 21 -2.619 9.011 20.623 127 HB3 TYR 21 2HB TYR 21 -2.963 7.288 20.521 128 HD1 TYR 21 2HD TYR 21 -1.334 5.825 19.210 129 HD2 TYR 21 1HD TYR 21 -0.426 9.807 20.403 130 HE1 TYR 21 2HE TYR 21 1.063 5.359 18.917 131 HE2 TYR 21 1HE TYR 21 1.974 9.353 20.112 132 HH TYR 21 HH TYR 21 3.131 6.501 18.571 133 H ALA 22 H ALA 22 -1.149 7.900 17.383 134 HA ALA 22 HA ALA 22 -1.111 10.553 16.115 135 HB1 ALA 22 1HB ALA 22 1.228 9.180 17.431 136 HB2 ALA 22 2HB ALA 22 1.353 10.611 16.407 137 HB3 ALA 22 3HB ALA 22 0.462 10.689 17.927 138 H GLY 23 H GLY 23 -1.792 9.749 14.142 139 HA2 GLY 23 1HA GLY 23 -1.572 8.796 12.066 140 HA3 GLY 23 2HA GLY 23 0.158 8.800 12.376 141 H PHE 24 H PHE 24 -0.751 6.796 10.878 142 HA PHE 24 HA PHE 24 -1.515 4.504 12.426 143 HB2 PHE 24 1HB PHE 24 -0.611 4.828 9.562 144 HB3 PHE 24 2HB PHE 24 -1.059 3.276 10.261 145 HD1 PHE 24 1HD PHE 24 -3.380 2.856 10.960 146 HD2 PHE 24 2HD PHE 24 -2.253 6.432 8.946 147 HE1 PHE 24 1HE PHE 24 -5.742 3.299 10.431 148 HE2 PHE 24 2HE PHE 24 -4.613 6.881 8.415 149 HZ PHE 24 HZ PHE 24 -6.361 5.314 9.158 150 H GLY 25 H GLY 25 1.441 6.038 11.644 151 HA2 GLY 25 1HA GLY 25 3.578 5.560 12.373 152 HA3 GLY 25 2HA GLY 25 2.932 4.149 13.199 153 H LEU 26 H LEU 26 2.401 4.650 9.793 154 HA LEU 26 HA LEU 26 4.102 2.318 9.248 155 HB2 LEU 26 1HB LEU 26 1.575 2.445 8.676 156 HB3 LEU 26 2HB LEU 26 2.105 3.443 7.324 157 HG LEU 26 HG LEU 26 3.310 1.641 6.354 158 HD11 LEU 26 1HD1 LEU 26 3.044 -0.646 7.686 159 HD12 LEU 26 2HD1 LEU 26 3.061 0.460 9.058 160 HD13 LEU 26 3HD1 LEU 26 4.414 0.438 7.928 161 HD21 LEU 26 1HD2 LEU 26 1.525 -0.124 6.179 162 HD22 LEU 26 2HD2 LEU 26 0.999 1.523 5.828 163 HD23 LEU 26 3HD2 LEU 26 0.613 0.786 7.384 164 H THR 27 H THR 27 5.912 2.545 8.112 165 HA THR 27 HA THR 27 6.275 5.012 6.537 166 HB THR 27 HB THR 27 8.433 3.508 8.032 167 HG1 THR 27 1HG THR 27 8.365 5.250 9.463 168 HG21 THR 27 1HG2 THR 27 9.227 4.631 5.997 169 HG22 THR 27 2HG2 THR 27 9.848 5.413 7.451 170 HG23 THR 27 3HG2 THR 27 8.515 6.144 6.558 171 H LEU 28 H LEU 28 7.561 4.853 4.642 172 HA LEU 28 HA LEU 28 7.889 2.106 3.628 173 HB2 LEU 28 1HB LEU 28 6.730 4.535 2.329 174 HB3 LEU 28 2HB LEU 28 7.506 3.298 1.343 175 HG LEU 28 HG LEU 28 5.263 2.647 3.236 176 HD11 LEU 28 1HD1 LEU 28 3.666 3.266 1.767 177 HD12 LEU 28 2HD1 LEU 28 4.677 2.942 0.360 178 HD13 LEU 28 3HD1 LEU 28 4.890 4.436 1.272 179 HD21 LEU 28 1HD2 LEU 28 6.920 1.199 1.351 180 HD22 LEU 28 2HD2 LEU 28 5.202 1.014 0.999 181 HD23 LEU 28 3HD2 LEU 28 5.826 0.591 2.594 182 H GLY 29 H GLY 29 9.669 1.692 2.302 183 HA2 GLY 29 1HA GLY 29 11.689 3.848 2.225 184 HA3 GLY 29 2HA GLY 29 12.102 2.189 2.629 185 H GLY 30 H GLY 30 11.697 4.463 0.133 186 HA2 GLY 30 1HA GLY 30 12.929 3.829 -1.933 187 HA3 GLY 30 2HA GLY 30 12.029 2.321 -1.877 188 H GLY 31 H GLY 31 10.449 2.229 -3.319 189 HA2 GLY 31 1HA GLY 31 8.561 2.841 -4.498 190 HA3 GLY 31 2HA GLY 31 8.508 4.324 -3.556 191 H ARG 32 H ARG 32 7.832 4.500 -6.146 192 HA ARG 32 HA ARG 32 9.947 4.990 -7.946 193 HB2 ARG 32 1HB ARG 32 7.415 4.665 -8.400 194 HB3 ARG 32 2HB ARG 32 7.297 6.395 -8.106 195 HG2 ARG 32 1HG ARG 32 8.979 6.756 -9.898 196 HG3 ARG 32 2HG ARG 32 8.916 5.026 -10.241 197 HD2 ARG 32 1HD ARG 32 6.328 5.492 -10.386 198 HD3 ARG 32 2HD ARG 32 6.869 7.138 -10.712 199 HE ARG 32 HE ARG 32 7.552 6.460 -12.786 200 HH11 ARG 32 2HH1 ARG 32 7.085 3.657 -10.773 201 HH12 ARG 32 1HH1 ARG 32 7.311 2.528 -12.068 202 HH21 ARG 32 2HH2 ARG 32 7.851 4.983 -14.498 203 HH22 ARG 32 1HH2 ARG 32 7.748 3.284 -14.186 204 H ASP 33 H ASP 33 11.513 6.395 -7.429 205 HA ASP 33 HA ASP 33 10.698 9.114 -6.635 206 HB2 ASP 33 1HB ASP 33 12.834 7.334 -5.571 207 HB3 ASP 33 2HB ASP 33 13.189 9.056 -5.677 208 H VAL 34 H VAL 34 12.165 10.832 -7.311 209 HA VAL 34 HA VAL 34 12.807 10.667 -10.047 210 HB VAL 34 HB VAL 34 12.251 12.773 -8.786 211 HG11 VAL 34 1HG1 VAL 34 15.159 12.854 -8.046 212 HG12 VAL 34 2HG1 VAL 34 13.845 13.889 -7.484 213 HG13 VAL 34 3HG1 VAL 34 13.939 12.212 -6.947 214 HG21 VAL 34 1HG2 VAL 34 12.949 13.667 -10.696 215 HG22 VAL 34 2HG2 VAL 34 14.570 13.790 -10.012 216 HG23 VAL 34 3HG2 VAL 34 14.107 12.357 -10.929 217 H ALA 35 H ALA 35 14.770 10.391 -7.133 218 HA ALA 35 HA ALA 35 17.210 10.102 -8.698 219 HB1 ALA 35 1HB ALA 35 16.915 11.333 -6.407 220 HB2 ALA 35 2HB ALA 35 17.127 9.712 -5.743 221 HB3 ALA 35 3HB ALA 35 18.387 10.424 -6.752 222 H GLY 36 H GLY 36 15.000 8.104 -8.798 223 HA2 GLY 36 1HA GLY 36 16.117 5.786 -9.305 224 HA3 GLY 36 2HA GLY 36 16.251 5.765 -7.553 225 H ASP 37 H ASP 37 14.693 4.123 -9.558 226 HA ASP 37 HA ASP 37 12.013 4.535 -8.404 227 HB2 ASP 37 1HB ASP 37 12.858 3.363 -11.054 228 HB3 ASP 37 2HB ASP 37 11.230 3.183 -10.408 229 H THR 38 H THR 38 11.574 3.146 -6.837 230 HA THR 38 HA THR 38 12.403 0.342 -7.164 231 HB THR 38 HB THR 38 12.634 0.322 -4.598 232 HG1 THR 38 1HG THR 38 13.449 2.510 -3.929 233 HG21 THR 38 1HG2 THR 38 14.461 0.421 -6.536 234 HG22 THR 38 2HG2 THR 38 14.900 0.465 -4.828 235 HG23 THR 38 3HG2 THR 38 14.822 1.961 -5.757 236 HA PRO 39 HA PRO 39 8.263 -0.730 -6.169 237 HB2 PRO 39 1HB PRO 39 8.618 -3.088 -4.870 238 HB3 PRO 39 2HB PRO 39 8.842 -2.908 -6.614 239 HG2 PRO 39 1HG PRO 39 10.894 -2.946 -4.434 240 HG3 PRO 39 2HG PRO 39 10.931 -3.739 -6.019 241 HD2 PRO 39 1HD PRO 39 12.248 -1.428 -5.515 242 HD3 PRO 39 2HD PRO 39 11.567 -1.810 -7.109 243 H LEU 40 H LEU 40 7.138 0.390 -4.703 244 HA LEU 40 HA LEU 40 7.956 1.140 -2.168 245 HB2 LEU 40 1HB LEU 40 5.313 0.913 -3.516 246 HB3 LEU 40 2HB LEU 40 5.347 1.209 -1.779 247 HG LEU 40 HG LEU 40 6.655 2.963 -3.857 248 HD11 LEU 40 1HD1 LEU 40 4.492 3.499 -4.251 249 HD12 LEU 40 2HD1 LEU 40 4.731 4.491 -2.813 250 HD13 LEU 40 3HD1 LEU 40 3.944 2.919 -2.678 251 HD21 LEU 40 1HD2 LEU 40 6.342 3.174 -0.873 252 HD22 LEU 40 2HD2 LEU 40 6.712 4.561 -1.899 253 HD23 LEU 40 3HD2 LEU 40 7.830 3.198 -1.820 254 H ALA 41 H ALA 41 8.185 0.104 -0.301 255 HA ALA 41 HA ALA 41 6.487 -2.152 0.370 256 HB1 ALA 41 1HB ALA 41 8.671 -3.427 1.032 257 HB2 ALA 41 2HB ALA 41 8.063 -3.500 -0.622 258 HB3 ALA 41 3HB ALA 41 9.398 -2.420 -0.220 259 H VAL 42 H VAL 42 6.211 -2.405 2.542 260 HA VAL 42 HA VAL 42 6.571 -0.346 4.293 261 HB VAL 42 HB VAL 42 6.502 -3.295 4.941 262 HG11 VAL 42 1HG1 VAL 42 6.945 -1.012 6.649 263 HG12 VAL 42 2HG1 VAL 42 5.459 -1.858 7.087 264 HG13 VAL 42 3HG1 VAL 42 6.991 -2.731 7.036 265 HG21 VAL 42 1HG2 VAL 42 4.249 -1.355 5.279 266 HG22 VAL 42 2HG2 VAL 42 4.567 -2.089 3.707 267 HG23 VAL 42 3HG2 VAL 42 4.195 -3.109 5.098 268 H ARG 43 H ARG 43 8.125 0.390 5.654 269 HA ARG 43 HA ARG 43 10.765 -0.890 5.444 270 HB2 ARG 43 1HB ARG 43 10.479 1.484 4.622 271 HB3 ARG 43 2HB ARG 43 10.188 1.947 6.293 272 HG2 ARG 43 1HG ARG 43 12.663 0.434 5.625 273 HG3 ARG 43 2HG ARG 43 12.569 2.154 5.239 274 HD2 ARG 43 1HD ARG 43 12.131 2.699 7.539 275 HD3 ARG 43 2HD ARG 43 12.015 0.992 7.964 276 HE ARG 43 HE ARG 43 14.538 1.477 6.840 277 HH11 ARG 43 2HH1 ARG 43 12.698 2.217 9.701 278 HH12 ARG 43 1HH1 ARG 43 14.092 2.354 10.720 279 HH21 ARG 43 2HH2 ARG 43 16.381 1.655 8.171 280 HH22 ARG 43 1HH2 ARG 43 16.187 2.035 9.849 281 H GLY 44 H GLY 44 9.207 1.275 7.815 282 HA2 GLY 44 1HA GLY 44 10.117 -0.586 9.925 283 HA3 GLY 44 2HA GLY 44 10.130 1.161 10.113 284 H LEU 45 H LEU 45 8.845 -0.678 11.861 285 HA LEU 45 HA LEU 45 6.022 0.039 11.412 286 HB2 LEU 45 1HB LEU 45 7.299 -2.439 12.442 287 HB3 LEU 45 2HB LEU 45 5.750 -1.959 13.130 288 HG LEU 45 HG LEU 45 6.267 -2.482 10.203 289 HD11 LEU 45 1HD1 LEU 45 6.323 -4.440 11.891 290 HD12 LEU 45 2HD1 LEU 45 5.316 -4.578 10.450 291 HD13 LEU 45 3HD1 LEU 45 4.582 -4.177 12.002 292 HD21 LEU 45 1HD2 LEU 45 4.262 -0.983 11.419 293 HD22 LEU 45 2HD2 LEU 45 3.522 -2.552 11.098 294 HD23 LEU 45 3HD2 LEU 45 4.255 -1.635 9.780 295 H LEU 46 H LEU 46 5.663 1.793 12.627 296 HA LEU 46 HA LEU 46 6.996 2.658 14.861 297 HB2 LEU 46 1HB LEU 46 5.055 3.706 13.447 298 HB3 LEU 46 2HB LEU 46 4.039 3.031 14.720 299 HG LEU 46 HG LEU 46 4.649 5.452 14.987 300 HD11 LEU 46 1HD1 LEU 46 5.222 5.210 17.401 301 HD12 LEU 46 2HD1 LEU 46 5.425 3.481 17.127 302 HD13 LEU 46 3HD1 LEU 46 3.850 4.233 16.878 303 HD21 LEU 46 1HD2 LEU 46 7.354 4.430 15.804 304 HD22 LEU 46 2HD2 LEU 46 6.826 6.100 15.593 305 HD23 LEU 46 3HD2 LEU 46 7.032 5.055 14.187 306 H LYS 47 H LYS 47 7.362 1.682 16.730 307 HA LYS 47 HA LYS 47 6.126 -0.592 17.693 308 HB2 LYS 47 1HB LYS 47 8.296 0.425 18.485 309 HB3 LYS 47 2HB LYS 47 7.340 1.555 19.436 310 HG2 LYS 47 1HG LYS 47 8.145 -0.313 20.782 311 HG3 LYS 47 2HG LYS 47 6.382 -0.282 20.701 312 HD2 LYS 47 1HD LYS 47 7.535 -2.546 20.421 313 HD3 LYS 47 2HD LYS 47 6.307 -2.108 19.231 314 HE2 LYS 47 1HE LYS 47 7.961 -1.533 17.620 315 HE3 LYS 47 2HE LYS 47 9.252 -1.635 18.816 316 HZ1 LYS 47 1HZ LYS 47 7.617 -3.908 17.826 317 HZ2 LYS 47 2HZ LYS 47 8.831 -4.015 18.998 318 HZ3 LYS 47 3HZ LYS 47 9.225 -3.586 17.410 319 H ASP 48 H ASP 48 4.653 -0.956 19.429 320 HA ASP 48 HA ASP 48 2.573 -0.714 20.340 321 HB2 ASP 48 1HB ASP 48 2.329 1.168 21.835 322 HB3 ASP 48 2HB ASP 48 4.001 0.618 21.889 323 H GLY 49 H GLY 49 2.842 0.008 17.512 324 HA2 GLY 49 1HA GLY 49 0.844 2.148 17.247 325 HA3 GLY 49 2HA GLY 49 1.865 1.535 15.955 326 HA PRO 50 HA PRO 50 -2.451 -0.376 15.840 327 HB2 PRO 50 1HB PRO 50 -3.233 0.721 13.484 328 HB3 PRO 50 2HB PRO 50 -3.514 1.500 15.046 329 HG2 PRO 50 1HG PRO 50 -1.365 2.023 13.028 330 HG3 PRO 50 2HG PRO 50 -2.329 3.182 13.962 331 HD2 PRO 50 1HD PRO 50 0.203 2.509 14.645 332 HD3 PRO 50 2HD PRO 50 -1.030 2.933 15.850 333 H ALA 51 H ALA 51 -0.234 0.316 13.140 334 HA ALA 51 HA ALA 51 -0.931 -1.925 11.582 335 HB1 ALA 51 1HB ALA 51 0.694 -1.247 10.141 336 HB2 ALA 51 2HB ALA 51 0.510 0.241 11.069 337 HB3 ALA 51 3HB ALA 51 1.835 -0.865 11.430 338 H GLN 52 H GLN 52 1.965 -1.409 13.607 339 HA GLN 52 HA GLN 52 3.050 -3.941 13.397 340 HB2 GLN 52 1HB GLN 52 4.237 -2.085 14.439 341 HB3 GLN 52 2HB GLN 52 3.097 -2.078 15.777 342 HG2 GLN 52 1HG GLN 52 5.244 -3.148 16.329 343 HG3 GLN 52 2HG GLN 52 3.861 -4.224 16.518 344 HE21 GLN 52 1HE2 GLN 52 6.919 -3.908 15.257 345 HE22 GLN 52 2HE2 GLN 52 6.905 -5.251 14.171 346 H ARG 53 H ARG 53 0.791 -2.751 15.878 347 HA ARG 53 HA ARG 53 0.555 -5.074 17.371 348 HB2 ARG 53 1HB ARG 53 -1.185 -2.709 16.888 349 HB3 ARG 53 2HB ARG 53 -1.919 -4.112 17.653 350 HG2 ARG 53 1HG ARG 53 0.194 -3.959 19.210 351 HG3 ARG 53 2HG ARG 53 0.186 -2.279 18.670 352 HD2 ARG 53 1HD ARG 53 -1.070 -2.514 20.736 353 HD3 ARG 53 2HD ARG 53 -2.141 -2.062 19.410 354 HE ARG 53 HE ARG 53 -3.239 -4.052 19.670 355 HH11 ARG 53 2HH1 ARG 53 -0.173 -4.222 21.311 356 HH12 ARG 53 1HH1 ARG 53 -0.509 -5.751 22.055 357 HH21 ARG 53 2HH2 ARG 53 -3.693 -6.064 20.644 358 HH22 ARG 53 1HH2 ARG 53 -2.510 -6.798 21.674 359 H CYS 54 H CYS 54 -1.251 -4.079 14.489 360 HA CYS 54 HA CYS 54 -3.044 -6.236 14.424 361 HB2 CYS 54 1HB CYS 54 -3.332 -4.186 13.086 362 HB3 CYS 54 2HB CYS 54 -1.942 -4.635 12.106 363 HG CYS 54 HG CYS 54 -3.742 -5.401 10.363 364 H GLY 55 H GLY 55 0.228 -5.867 13.175 365 HA2 GLY 55 1HA GLY 55 1.764 -7.539 12.697 366 HA3 GLY 55 2HA GLY 55 0.517 -8.734 13.020 367 H ARG 56 H ARG 56 -1.423 -7.785 11.186 368 HA ARG 56 HA ARG 56 -1.059 -9.215 8.961 369 HB2 ARG 56 1HB ARG 56 -2.465 -6.620 9.402 370 HB3 ARG 56 2HB ARG 56 -2.336 -7.231 7.758 371 HG2 ARG 56 1HG ARG 56 -3.433 -9.302 8.433 372 HG3 ARG 56 2HG ARG 56 -3.551 -8.701 10.089 373 HD2 ARG 56 1HD ARG 56 -4.809 -6.714 9.073 374 HD3 ARG 56 2HD ARG 56 -4.952 -7.711 7.626 375 HE ARG 56 HE ARG 56 -6.428 -7.989 10.055 376 HH11 ARG 56 2HH1 ARG 56 -5.118 -9.732 7.341 377 HH12 ARG 56 1HH1 ARG 56 -6.276 -11.017 7.441 378 HH21 ARG 56 2HH2 ARG 56 -7.958 -9.675 10.197 379 HH22 ARG 56 1HH2 ARG 56 -7.892 -10.983 9.065 380 H LEU 57 H LEU 57 0.311 -6.016 9.514 381 HA LEU 57 HA LEU 57 1.669 -6.127 6.921 382 HB2 LEU 57 1HB LEU 57 1.203 -3.936 8.918 383 HB3 LEU 57 2HB LEU 57 2.384 -3.768 7.621 384 HG LEU 57 HG LEU 57 -0.603 -3.893 7.453 385 HD11 LEU 57 1HD1 LEU 57 1.253 -1.847 7.379 386 HD12 LEU 57 2HD1 LEU 57 -0.425 -1.761 6.846 387 HD13 LEU 57 3HD1 LEU 57 0.852 -2.118 5.683 388 HD21 LEU 57 1HD2 LEU 57 -0.100 -3.953 4.899 389 HD22 LEU 57 2HD2 LEU 57 -0.180 -5.459 5.814 390 HD23 LEU 57 3HD2 LEU 57 1.386 -4.760 5.401 391 H GLU 58 H GLU 58 3.773 -6.571 6.737 392 HA GLU 58 HA GLU 58 5.472 -6.397 9.128 393 HB2 GLU 58 1HB GLU 58 4.932 -8.774 7.421 394 HB3 GLU 58 2HB GLU 58 6.578 -8.544 7.995 395 HG2 GLU 58 1HG GLU 58 4.242 -8.480 9.869 396 HG3 GLU 58 2HG GLU 58 5.008 -9.994 9.390 397 H VAL 59 H VAL 59 7.806 -6.422 8.605 398 HA VAL 59 HA VAL 59 8.379 -4.567 6.527 399 HB VAL 59 HB VAL 59 10.331 -6.216 8.138 400 HG11 VAL 59 1HG1 VAL 59 11.194 -3.576 7.349 401 HG12 VAL 59 2HG1 VAL 59 11.972 -5.139 7.090 402 HG13 VAL 59 3HG1 VAL 59 10.763 -4.554 5.947 403 HG21 VAL 59 1HG2 VAL 59 9.317 -3.433 8.701 404 HG22 VAL 59 2HG2 VAL 59 8.753 -4.886 9.525 405 HG23 VAL 59 3HG2 VAL 59 10.434 -4.378 9.685 406 H GLY 60 H GLY 60 8.940 -4.902 4.471 407 HA2 GLY 60 1HA GLY 60 10.249 -6.086 2.822 408 HA3 GLY 60 2HA GLY 60 9.927 -7.572 3.704 409 H ASP 61 H ASP 61 7.145 -5.754 3.630 410 HA ASP 61 HA ASP 61 5.877 -7.558 1.803 411 HB2 ASP 61 1HB ASP 61 4.932 -5.167 3.370 412 HB3 ASP 61 2HB ASP 61 3.885 -5.978 2.208 413 H LEU 62 H LEU 62 4.739 -6.971 -0.123 414 HA LEU 62 HA LEU 62 6.003 -4.718 -1.534 415 HB2 LEU 62 1HB LEU 62 4.701 -7.167 -2.713 416 HB3 LEU 62 2HB LEU 62 5.570 -5.911 -3.593 417 HG LEU 62 HG LEU 62 6.830 -7.771 -1.579 418 HD11 LEU 62 1HD1 LEU 62 5.898 -8.740 -3.800 419 HD12 LEU 62 2HD1 LEU 62 7.539 -9.142 -3.294 420 HD13 LEU 62 3HD1 LEU 62 7.275 -7.912 -4.530 421 HD21 LEU 62 1HD2 LEU 62 8.031 -5.696 -1.763 422 HD22 LEU 62 2HD2 LEU 62 7.979 -5.773 -3.525 423 HD23 LEU 62 3HD2 LEU 62 8.929 -6.951 -2.617 424 H VAL 63 H VAL 63 4.756 -3.016 -1.890 425 HA VAL 63 HA VAL 63 1.870 -3.237 -1.638 426 HB VAL 63 HB VAL 63 3.414 -0.724 -2.252 427 HG11 VAL 63 1HG1 VAL 63 0.922 -0.760 -2.482 428 HG12 VAL 63 2HG1 VAL 63 0.827 -1.108 -0.755 429 HG13 VAL 63 3HG1 VAL 63 1.535 0.409 -1.312 430 HG21 VAL 63 1HG2 VAL 63 4.510 -1.241 -0.322 431 HG22 VAL 63 2HG2 VAL 63 3.072 -0.491 0.371 432 HG23 VAL 63 3HG2 VAL 63 3.196 -2.248 0.287 433 H LEU 64 H LEU 64 0.573 -3.526 -3.318 434 HA LEU 64 HA LEU 64 1.604 -3.069 -6.016 435 HB2 LEU 64 1HB LEU 64 -0.883 -4.485 -5.069 436 HB3 LEU 64 2HB LEU 64 -0.362 -4.359 -6.747 437 HG LEU 64 HG LEU 64 0.990 -5.882 -4.524 438 HD11 LEU 64 1HD1 LEU 64 0.306 -7.809 -5.586 439 HD12 LEU 64 2HD1 LEU 64 0.070 -7.002 -7.135 440 HD13 LEU 64 3HD1 LEU 64 -1.086 -6.754 -5.827 441 HD21 LEU 64 1HD2 LEU 64 2.365 -6.606 -6.688 442 HD22 LEU 64 2HD2 LEU 64 2.858 -5.264 -5.655 443 HD23 LEU 64 3HD2 LEU 64 1.983 -4.948 -7.154 444 H HIS 65 H HIS 65 -0.956 -2.049 -3.838 445 HA HIS 65 HA HIS 65 -1.388 0.316 -5.456 446 HB2 HIS 65 1HB HIS 65 -3.762 -1.409 -4.747 447 HB3 HIS 65 2HB HIS 65 -3.741 0.030 -5.762 448 HD1 HIS 65 1HD HIS 65 -2.172 -0.317 -8.029 449 HD2 HIS 65 2HD HIS 65 -3.698 -3.704 -6.168 450 HE1 HIS 65 1HE HIS 65 -2.065 -2.140 -9.758 451 HE2 HIS 65 2HE HIS 65 -3.072 -4.158 -8.637 452 H ILE 66 H ILE 66 -3.405 1.537 -4.301 453 HA ILE 66 HA ILE 66 -3.377 1.221 -1.428 454 HB ILE 66 HB ILE 66 -2.216 3.702 -2.698 455 HG12 ILE 66 1HG1 ILE 66 -1.014 1.667 -0.808 456 HG13 ILE 66 2HG1 ILE 66 -0.636 1.828 -2.520 457 HG21 ILE 66 1HG2 ILE 66 -3.702 3.450 -0.317 458 HG22 ILE 66 2HG2 ILE 66 -2.016 3.665 0.150 459 HG23 ILE 66 3HG2 ILE 66 -2.800 4.851 -0.893 460 HD11 ILE 66 1HD1 ILE 66 0.527 3.806 -2.201 461 HD12 ILE 66 2HD1 ILE 66 -0.232 4.115 -0.639 462 HD13 ILE 66 3HD1 ILE 66 0.972 2.836 -0.797 463 H ASN 67 H ASN 67 -5.337 1.684 -0.683 464 HA ASN 67 HA ASN 67 -7.532 2.315 -0.683 465 HB2 ASN 67 1HB ASN 67 -6.245 4.894 -1.606 466 HB3 ASN 67 2HB ASN 67 -7.886 4.756 -0.981 467 HD21 ASN 67 1HD2 ASN 67 -4.664 5.263 -0.218 468 HD22 ASN 67 2HD2 ASN 67 -4.781 5.126 1.500 469 H GLY 68 H GLY 68 -7.134 0.827 -2.866 470 HA2 GLY 68 1HA GLY 68 -8.000 0.334 -4.933 471 HA3 GLY 68 2HA GLY 68 -9.192 1.582 -4.602 472 H GLU 69 H GLU 69 -5.906 2.565 -4.554 473 HA GLU 69 HA GLU 69 -6.301 3.901 -7.146 474 HB2 GLU 69 1HB GLU 69 -5.953 5.275 -5.022 475 HB3 GLU 69 2HB GLU 69 -4.297 4.684 -5.035 476 HG2 GLU 69 1HG GLU 69 -4.640 6.944 -6.047 477 HG3 GLU 69 2HG GLU 69 -3.825 5.771 -7.079 478 H SER 70 H SER 70 -4.783 3.755 -8.745 479 HA SER 70 HA SER 70 -2.944 1.529 -8.554 480 HB2 SER 70 1HB SER 70 -2.514 2.050 -10.975 481 HB3 SER 70 2HB SER 70 -4.205 1.721 -10.597 482 HG SER 70 HG SER 70 -4.705 3.711 -11.095 483 H THR 71 H THR 71 -0.934 1.741 -7.859 484 HA THR 71 HA THR 71 0.305 4.358 -7.702 485 HB THR 71 HB THR 71 0.499 2.807 -5.799 486 HG1 THR 71 1HG THR 71 3.045 3.206 -7.008 487 HG21 THR 71 1HG2 THR 71 2.557 1.108 -6.923 488 HG22 THR 71 2HG2 THR 71 1.017 0.897 -7.757 489 HG23 THR 71 3HG2 THR 71 1.113 0.670 -6.011 490 H GLN 72 H GLN 72 -0.093 2.563 -10.234 491 HA GLN 72 HA GLN 72 2.396 1.823 -11.238 492 HB2 GLN 72 1HB GLN 72 -0.028 1.495 -12.181 493 HB3 GLN 72 2HB GLN 72 0.313 2.988 -13.046 494 HG2 GLN 72 1HG GLN 72 0.957 1.421 -14.582 495 HG3 GLN 72 2HG GLN 72 2.485 1.750 -13.766 496 HE21 GLN 72 1HE2 GLN 72 2.072 -0.566 -15.196 497 HE22 GLN 72 2HE2 GLN 72 2.035 -1.909 -14.110 498 H GLY 73 H GLY 73 1.076 4.944 -10.706 499 HA2 GLY 73 1HA GLY 73 3.463 6.128 -11.948 500 HA3 GLY 73 2HA GLY 73 1.880 6.763 -12.370 501 H LEU 74 H LEU 74 2.163 5.651 -9.159 502 HA LEU 74 HA LEU 74 2.202 8.429 -8.216 503 HB2 LEU 74 1HB LEU 74 1.320 5.908 -6.818 504 HB3 LEU 74 2HB LEU 74 1.239 7.534 -6.143 505 HG LEU 74 HG LEU 74 -0.362 6.422 -8.441 506 HD11 LEU 74 1HD1 LEU 74 -1.544 5.763 -6.623 507 HD12 LEU 74 2HD1 LEU 74 -2.152 7.414 -6.738 508 HD13 LEU 74 3HD1 LEU 74 -0.873 7.024 -5.588 509 HD21 LEU 74 1HD2 LEU 74 -0.382 8.503 -9.248 510 HD22 LEU 74 2HD2 LEU 74 0.366 9.167 -7.795 511 HD23 LEU 74 3HD2 LEU 74 -1.378 8.908 -7.849 512 H THR 75 H THR 75 4.009 9.184 -7.357 513 HA THR 75 HA THR 75 6.221 7.475 -6.741 514 HB THR 75 HB THR 75 7.358 9.565 -6.026 515 HG1 THR 75 1HG THR 75 4.743 10.518 -6.229 516 HG21 THR 75 1HG2 THR 75 5.936 10.009 -8.643 517 HG22 THR 75 2HG2 THR 75 7.188 8.783 -8.439 518 HG23 THR 75 3HG2 THR 75 7.573 10.486 -8.194 519 H HIS 76 H HIS 76 7.436 8.355 -4.554 520 HA HIS 76 HA HIS 76 6.132 7.059 -2.446 521 HB2 HIS 76 1HB HIS 76 8.627 7.553 -2.709 522 HB3 HIS 76 2HB HIS 76 8.268 9.155 -2.071 523 HD1 HIS 76 1HD HIS 76 7.466 9.272 0.428 524 HD2 HIS 76 2HD HIS 76 8.738 5.524 -0.834 525 HE1 HIS 76 1HE HIS 76 7.804 7.934 2.530 526 HE2 HIS 76 2HE HIS 76 8.655 5.697 1.745 527 H ALA 77 H ALA 77 6.332 10.479 -3.293 528 HA ALA 77 HA ALA 77 5.050 11.443 -0.948 529 HB1 ALA 77 1HB ALA 77 6.456 12.882 -2.317 530 HB2 ALA 77 2HB ALA 77 5.324 12.731 -3.662 531 HB3 ALA 77 3HB ALA 77 4.828 13.548 -2.180 532 H GLN 78 H GLN 78 3.899 10.582 -4.182 533 HA GLN 78 HA GLN 78 1.233 11.446 -3.811 534 HB2 GLN 78 1HB GLN 78 2.539 9.518 -5.713 535 HB3 GLN 78 2HB GLN 78 0.798 9.764 -5.718 536 HG2 GLN 78 1HG GLN 78 2.829 11.953 -6.086 537 HG3 GLN 78 2HG GLN 78 2.010 11.111 -7.400 538 HE21 GLN 78 1HE2 GLN 78 2.016 13.952 -6.321 539 HE22 GLN 78 2HE2 GLN 78 0.339 14.349 -6.194 540 H ALA 79 H ALA 79 2.591 8.145 -3.784 541 HA ALA 79 HA ALA 79 0.362 6.738 -3.029 542 HB1 ALA 79 1HB ALA 79 2.090 5.330 -3.477 543 HB2 ALA 79 2HB ALA 79 3.275 6.336 -2.643 544 HB3 ALA 79 3HB ALA 79 2.178 5.312 -1.715 545 H VAL 80 H VAL 80 2.461 8.708 -1.022 546 HA VAL 80 HA VAL 80 1.283 7.850 1.457 547 HB VAL 80 HB VAL 80 3.053 10.226 0.863 548 HG11 VAL 80 1HG1 VAL 80 2.583 8.990 3.558 549 HG12 VAL 80 2HG1 VAL 80 3.307 10.552 3.169 550 HG13 VAL 80 3HG1 VAL 80 1.575 10.302 2.949 551 HG21 VAL 80 1HG2 VAL 80 3.794 7.679 0.610 552 HG22 VAL 80 2HG2 VAL 80 4.876 8.921 1.239 553 HG23 VAL 80 3HG2 VAL 80 4.020 7.853 2.350 554 H GLU 81 H GLU 81 0.957 10.631 -0.698 555 HA GLU 81 HA GLU 81 -0.735 12.161 0.958 556 HB2 GLU 81 1HB GLU 81 0.374 13.216 -0.890 557 HB3 GLU 81 2HB GLU 81 -0.375 12.115 -2.038 558 HG2 GLU 81 1HG GLU 81 -2.454 13.142 -1.857 559 HG3 GLU 81 2HG GLU 81 -2.036 13.930 -0.337 560 H ARG 82 H ARG 82 -1.287 9.317 -0.840 561 HA ARG 82 HA ARG 82 -4.126 9.724 -1.185 562 HB2 ARG 82 1HB ARG 82 -2.393 7.278 -1.582 563 HB3 ARG 82 2HB ARG 82 -4.103 7.368 -1.985 564 HG2 ARG 82 1HG ARG 82 -1.983 9.138 -3.180 565 HG3 ARG 82 2HG ARG 82 -2.592 7.659 -3.925 566 HD2 ARG 82 1HD ARG 82 -4.915 8.750 -3.648 567 HD3 ARG 82 2HD ARG 82 -4.014 10.250 -3.430 568 HE ARG 82 HE ARG 82 -3.002 9.183 -5.725 569 HH11 ARG 82 2HH1 ARG 82 -6.190 10.026 -4.610 570 HH12 ARG 82 1HH1 ARG 82 -6.788 10.398 -6.193 571 HH21 ARG 82 2HH2 ARG 82 -3.777 9.670 -7.815 572 HH22 ARG 82 1HH2 ARG 82 -5.414 10.194 -8.015 573 H ILE 83 H ILE 83 -1.986 8.091 1.059 574 HA ILE 83 HA ILE 83 -4.034 6.627 2.406 575 HB ILE 83 HB ILE 83 -1.339 7.399 3.519 576 HG12 ILE 83 1HG1 ILE 83 -1.997 4.879 1.991 577 HG13 ILE 83 2HG1 ILE 83 -1.270 6.292 1.233 578 HG21 ILE 83 1HG2 ILE 83 -2.491 4.792 4.163 579 HG22 ILE 83 2HG2 ILE 83 -1.754 5.999 5.215 580 HG23 ILE 83 3HG2 ILE 83 -3.444 6.158 4.739 581 HD11 ILE 83 1HD1 ILE 83 0.577 6.093 2.939 582 HD12 ILE 83 2HD1 ILE 83 -0.104 4.519 3.352 583 HD13 ILE 83 3HD1 ILE 83 0.494 4.820 1.721 584 H ARG 84 H ARG 84 -2.302 9.650 3.090 585 HA ARG 84 HA ARG 84 -3.536 10.192 5.558 586 HB2 ARG 84 1HB ARG 84 -2.438 12.210 5.502 587 HB3 ARG 84 2HB ARG 84 -1.482 11.304 4.336 588 HG2 ARG 84 1HG ARG 84 -2.626 12.347 2.502 589 HG3 ARG 84 2HG ARG 84 -3.745 13.148 3.606 590 HD2 ARG 84 1HD ARG 84 -0.798 13.583 3.868 591 HD3 ARG 84 2HD ARG 84 -1.716 14.461 2.646 592 HE ARG 84 HE ARG 84 -3.013 14.709 5.125 593 HH11 ARG 84 2HH1 ARG 84 -0.119 15.748 3.493 594 HH12 ARG 84 1HH1 ARG 84 0.020 17.219 4.398 595 HH21 ARG 84 2HH2 ARG 84 -2.841 16.642 6.324 596 HH22 ARG 84 1HH2 ARG 84 -1.529 17.726 6.009 597 H ALA 85 H ALA 85 -4.421 11.029 2.244 598 HA ALA 85 HA ALA 85 -6.697 12.595 3.059 599 HB1 ALA 85 1HB ALA 85 -6.246 11.559 0.283 600 HB2 ALA 85 2HB ALA 85 -7.036 13.049 0.798 601 HB3 ALA 85 3HB ALA 85 -5.285 12.887 0.932 602 H GLY 86 H GLY 86 -6.076 9.309 2.812 603 HA2 GLY 86 1HA GLY 86 -8.468 8.297 1.736 604 HA3 GLY 86 2HA GLY 86 -7.411 7.443 2.851 605 H GLY 87 H GLY 87 -7.859 9.842 4.740 606 HA2 GLY 87 1HA GLY 87 -9.674 10.620 6.087 607 HA3 GLY 87 2HA GLY 87 -10.615 9.232 5.561 608 HA PRO 88 HA PRO 88 -9.147 8.311 9.829 609 HB2 PRO 88 1HB PRO 88 -11.478 7.162 10.616 610 HB3 PRO 88 2HB PRO 88 -11.193 8.905 10.690 611 HG2 PRO 88 1HG PRO 88 -12.669 7.313 8.629 612 HG3 PRO 88 2HG PRO 88 -13.108 8.863 9.371 613 HD2 PRO 88 1HD PRO 88 -11.997 8.690 6.908 614 HD3 PRO 88 2HD PRO 88 -11.703 10.063 7.994 615 H GLN 89 H GLN 89 -10.486 6.465 7.227 616 HA GLN 89 HA GLN 89 -9.553 3.962 8.455 617 HB2 GLN 89 1HB GLN 89 -11.610 4.579 6.365 618 HB3 GLN 89 2HB GLN 89 -10.860 2.989 6.410 619 HG2 GLN 89 1HG GLN 89 -12.701 2.617 7.698 620 HG3 GLN 89 2HG GLN 89 -11.536 3.081 8.937 621 HE21 GLN 89 1HE2 GLN 89 -11.785 4.997 10.019 622 HE22 GLN 89 2HE2 GLN 89 -13.202 5.978 9.889 623 H LEU 90 H LEU 90 -7.773 3.011 7.714 624 HA LEU 90 HA LEU 90 -6.533 4.084 5.286 625 HB2 LEU 90 1HB LEU 90 -4.994 4.188 7.013 626 HB3 LEU 90 2HB LEU 90 -5.513 2.651 7.701 627 HG LEU 90 HG LEU 90 -4.177 2.646 5.036 628 HD11 LEU 90 1HD1 LEU 90 -2.033 2.295 6.525 629 HD12 LEU 90 2HD1 LEU 90 -2.906 3.357 7.629 630 HD13 LEU 90 3HD1 LEU 90 -2.529 3.902 5.995 631 HD21 LEU 90 1HD2 LEU 90 -4.019 0.455 5.417 632 HD22 LEU 90 2HD2 LEU 90 -5.151 0.715 6.744 633 HD23 LEU 90 3HD2 LEU 90 -3.415 0.698 7.056 634 H HIS 91 H HIS 91 -6.302 2.915 3.480 635 HA HIS 91 HA HIS 91 -6.746 0.014 3.609 636 HB2 HIS 91 1HB HIS 91 -8.786 1.382 2.821 637 HB3 HIS 91 2HB HIS 91 -7.854 1.673 1.355 638 HD1 HIS 91 1HD HIS 91 -8.122 -0.025 -0.428 639 HD2 HIS 91 2HD HIS 91 -9.138 -1.527 3.310 640 HE1 HIS 91 1HE HIS 91 -9.002 -2.342 -0.851 641 HE2 HIS 91 2HE HIS 91 -9.690 -3.199 1.416 642 H LEU 92 H LEU 92 -5.001 -0.972 2.857 643 HA LEU 92 HA LEU 92 -3.641 0.155 0.508 644 HB2 LEU 92 1HB LEU 92 -2.166 -1.120 2.795 645 HB3 LEU 92 2HB LEU 92 -1.494 -0.238 1.425 646 HG LEU 92 HG LEU 92 -3.203 1.066 3.534 647 HD11 LEU 92 1HD1 LEU 92 -0.613 1.910 3.937 648 HD12 LEU 92 2HD1 LEU 92 -0.440 0.175 3.675 649 HD13 LEU 92 3HD1 LEU 92 -1.506 0.772 4.947 650 HD21 LEU 92 1HD2 LEU 92 -2.763 3.026 2.498 651 HD22 LEU 92 2HD2 LEU 92 -2.578 1.980 1.091 652 HD23 LEU 92 3HD2 LEU 92 -1.154 2.520 1.982 653 H VAL 93 H VAL 93 -2.939 -1.306 -0.988 654 HA VAL 93 HA VAL 93 -3.816 -4.070 -0.587 655 HB VAL 93 HB VAL 93 -2.816 -2.921 -3.181 656 HG11 VAL 93 1HG1 VAL 93 -3.849 -5.440 -2.320 657 HG12 VAL 93 2HG1 VAL 93 -4.958 -4.731 -3.496 658 HG13 VAL 93 3HG1 VAL 93 -3.261 -4.968 -3.914 659 HG21 VAL 93 1HG2 VAL 93 -5.500 -2.586 -1.890 660 HG22 VAL 93 2HG2 VAL 93 -4.492 -1.378 -2.688 661 HG23 VAL 93 3HG2 VAL 93 -5.330 -2.599 -3.645 662 H ILE 94 H ILE 94 -2.319 -5.387 0.220 663 HA ILE 94 HA ILE 94 0.442 -5.144 -0.784 664 HB ILE 94 HB ILE 94 -0.408 -6.258 1.891 665 HG12 ILE 94 1HG1 ILE 94 -0.759 -3.804 1.700 666 HG13 ILE 94 2HG1 ILE 94 0.482 -4.228 2.874 667 HG21 ILE 94 1HG2 ILE 94 1.905 -6.408 2.409 668 HG22 ILE 94 2HG2 ILE 94 1.683 -7.168 0.835 669 HG23 ILE 94 3HG2 ILE 94 2.356 -5.542 0.941 670 HD11 ILE 94 1HD1 ILE 94 1.621 -3.800 0.262 671 HD12 ILE 94 2HD1 ILE 94 0.692 -2.402 0.802 672 HD13 ILE 94 3HD1 ILE 94 2.002 -3.030 1.802 673 H ARG 95 H ARG 95 1.509 -6.980 -1.431 674 HA ARG 95 HA ARG 95 0.046 -9.523 -1.299 675 HB2 ARG 95 1HB ARG 95 -0.478 -8.871 -3.484 676 HB3 ARG 95 2HB ARG 95 1.100 -8.141 -3.746 677 HG2 ARG 95 1HG ARG 95 2.082 -10.439 -3.677 678 HG3 ARG 95 2HG ARG 95 0.434 -11.071 -3.649 679 HD2 ARG 95 1HD ARG 95 0.013 -9.783 -5.764 680 HD3 ARG 95 2HD ARG 95 1.742 -9.437 -5.814 681 HE ARG 95 HE ARG 95 1.443 -12.193 -5.566 682 HH11 ARG 95 2HH1 ARG 95 0.717 -9.680 -7.862 683 HH12 ARG 95 1HH1 ARG 95 0.847 -10.721 -9.241 684 HH21 ARG 95 2HH2 ARG 95 1.617 -13.575 -7.373 685 HH22 ARG 95 1HH2 ARG 95 1.358 -12.937 -8.961 686 H ARG 96 H ARG 96 1.361 -10.642 0.019 687 HA ARG 96 HA ARG 96 4.147 -10.354 0.198 688 HB2 ARG 96 1HB ARG 96 2.504 -11.459 1.848 689 HB3 ARG 96 2HB ARG 96 2.701 -12.905 0.866 690 HG2 ARG 96 1HG ARG 96 5.217 -12.580 1.245 691 HG3 ARG 96 2HG ARG 96 4.733 -11.481 2.539 692 HD2 ARG 96 1HD ARG 96 3.260 -13.408 3.364 693 HD3 ARG 96 2HD ARG 96 4.209 -14.425 2.280 694 HE ARG 96 HE ARG 96 5.967 -12.949 3.883 695 HH11 ARG 96 2HH1 ARG 96 3.616 -15.502 4.164 696 HH12 ARG 96 1HH1 ARG 96 4.391 -16.243 5.525 697 HH21 ARG 96 2HH2 ARG 96 6.996 -13.916 5.674 698 HH22 ARG 96 1HH2 ARG 96 6.313 -15.339 6.384 699 HA PRO 97 HA PRO 97 5.454 -12.460 -3.470 700 HB2 PRO 97 1HB PRO 97 8.089 -12.628 -2.840 701 HB3 PRO 97 2HB PRO 97 7.323 -11.127 -3.372 702 HG2 PRO 97 1HG PRO 97 7.985 -12.035 -0.597 703 HG3 PRO 97 2HG PRO 97 8.196 -10.434 -1.332 704 HD2 PRO 97 1HD PRO 97 6.124 -11.023 0.309 705 HD3 PRO 97 2HD PRO 97 5.984 -9.865 -1.029 706 H LEU 98 H LEU 98 7.352 -14.301 -3.731 707 HA LEU 98 HA LEU 98 6.556 -16.473 -1.905 708 HB2 LEU 98 1HB LEU 98 7.274 -17.873 -4.027 709 HB3 LEU 98 2HB LEU 98 5.643 -17.233 -3.836 710 HG LEU 98 HG LEU 98 7.656 -15.603 -5.311 711 HD11 LEU 98 1HD1 LEU 98 6.457 -18.173 -6.238 712 HD12 LEU 98 2HD1 LEU 98 8.074 -17.522 -6.507 713 HD13 LEU 98 3HD1 LEU 98 6.698 -16.856 -7.387 714 HD21 LEU 98 1HD2 LEU 98 4.803 -15.657 -4.876 715 HD22 LEU 98 2HD2 LEU 98 5.187 -15.657 -6.598 716 HD23 LEU 98 3HD2 LEU 98 5.814 -14.381 -5.554 717 H SER 99 H SER 99 8.289 -16.314 -0.511 718 HA SER 99 HA SER 99 10.983 -16.519 -1.642 719 HB2 SER 99 1HB SER 99 10.387 -14.803 0.154 720 HB3 SER 99 2HB SER 99 10.287 -16.162 1.273 721 HG SER 99 HG SER 99 12.355 -15.752 1.466 722 H GLY 100 H GLY 100 12.510 -18.041 -0.661 723 HA2 GLY 100 1HA GLY 100 11.966 -20.112 1.048 724 HA3 GLY 100 2HA GLY 100 11.361 -20.663 -0.507 725 HA PRO 101 HA PRO 101 15.385 -22.141 -1.447 726 HB2 PRO 101 1HB PRO 101 15.272 -22.111 -4.160 727 HB3 PRO 101 2HB PRO 101 14.405 -23.296 -3.175 728 HG2 PRO 101 1HG PRO 101 13.388 -20.786 -4.450 729 HG3 PRO 101 2HG PRO 101 12.630 -22.387 -4.372 730 HD2 PRO 101 1HD PRO 101 11.922 -20.358 -2.725 731 HD3 PRO 101 2HD PRO 101 11.868 -22.060 -2.221 732 H SER 102 H SER 102 16.568 -20.327 -0.628 733 HA SER 102 HA SER 102 16.988 -17.876 -1.735 734 HB2 SER 102 1HB SER 102 18.011 -18.546 0.377 735 HB3 SER 102 2HB SER 102 19.079 -19.665 -0.470 736 HG SER 102 HG SER 102 19.681 -17.595 -1.670 737 H SER 103 H SER 103 18.755 -20.849 -2.570 738 HA SER 103 HA SER 103 19.328 -19.687 -5.200 739 HB2 SER 103 1HB SER 103 21.309 -20.595 -3.171 740 HB3 SER 103 2HB SER 103 21.633 -21.001 -4.856 741 HG SER 103 HG SER 103 22.100 -18.720 -3.670 742 H GLY 104 H GLY 104 19.014 -21.067 -6.843 743 HA2 GLY 104 1HA GLY 104 19.225 -23.262 -7.826 744 HA3 GLY 104 2HA GLY 104 18.912 -23.950 -6.240 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -21.895 -10.493 11.921 2 HA2 GLY 1 1HA GLY 1 -21.577 -9.538 9.410 3 HA3 GLY 1 2HA GLY 1 -20.033 -10.319 9.718 4 H SER 2 H SER 2 -21.591 -11.188 7.654 5 HA SER 2 HA SER 2 -22.752 -13.701 8.662 6 HB2 SER 2 1HB SER 2 -24.433 -12.425 7.511 7 HB3 SER 2 2HB SER 2 -23.354 -12.132 6.147 8 HG SER 2 HG SER 2 -24.365 -13.831 5.388 9 H SER 3 H SER 3 -22.090 -15.635 7.820 10 HA SER 3 HA SER 3 -19.541 -16.090 7.068 11 HB2 SER 3 1HB SER 3 -20.885 -17.978 7.565 12 HB3 SER 3 2HB SER 3 -22.038 -17.591 6.288 13 HG SER 3 HG SER 3 -20.789 -18.535 4.871 14 H GLY 4 H GLY 4 -18.408 -16.460 5.115 15 HA2 GLY 4 1HA GLY 4 -17.736 -15.905 2.992 16 HA3 GLY 4 2HA GLY 4 -19.417 -16.135 2.536 17 H SER 5 H SER 5 -17.112 -13.781 3.811 18 HA SER 5 HA SER 5 -18.931 -11.602 3.103 19 HB2 SER 5 1HB SER 5 -17.373 -10.155 4.326 20 HB3 SER 5 2HB SER 5 -17.862 -11.525 5.323 21 HG SER 5 HG SER 5 -15.822 -12.501 4.367 22 H SER 6 H SER 6 -18.233 -9.840 1.793 23 HA SER 6 HA SER 6 -16.798 -10.656 -0.521 24 HB2 SER 6 1HB SER 6 -17.794 -7.933 0.348 25 HB3 SER 6 2HB SER 6 -17.106 -8.278 -1.239 26 HG SER 6 HG SER 6 -18.950 -9.087 -1.814 27 H GLY 7 H GLY 7 -14.663 -10.968 -0.458 28 HA2 GLY 7 1HA GLY 7 -12.820 -8.907 -0.258 29 HA3 GLY 7 2HA GLY 7 -12.915 -9.629 1.342 30 H GLN 8 H GLN 8 -13.081 -12.251 0.956 31 HA GLN 8 HA GLN 8 -10.617 -13.231 0.655 32 HB2 GLN 8 1HB GLN 8 -12.823 -14.481 1.123 33 HB3 GLN 8 2HB GLN 8 -12.892 -14.732 -0.616 34 HG2 GLN 8 1HG GLN 8 -11.925 -16.670 0.314 35 HG3 GLN 8 2HG GLN 8 -10.618 -15.774 -0.458 36 HE21 GLN 8 1HE2 GLN 8 -9.328 -17.182 0.965 37 HE22 GLN 8 2HE2 GLN 8 -9.009 -16.643 2.576 38 H ALA 9 H ALA 9 -9.136 -13.616 -0.889 39 HA ALA 9 HA ALA 9 -9.787 -13.883 -3.658 40 HB1 ALA 9 1HB ALA 9 -8.170 -11.435 -3.043 41 HB2 ALA 9 2HB ALA 9 -8.976 -11.886 -4.545 42 HB3 ALA 9 3HB ALA 9 -9.929 -11.367 -3.155 43 H SER 10 H SER 10 -7.854 -14.195 -5.002 44 HA SER 10 HA SER 10 -5.602 -15.197 -3.388 45 HB2 SER 10 1HB SER 10 -5.173 -16.777 -5.238 46 HB3 SER 10 2HB SER 10 -6.795 -16.977 -4.574 47 HG SER 10 HG SER 10 -6.374 -15.277 -6.774 48 H GLY 11 H GLY 11 -4.079 -13.649 -3.404 49 HA2 GLY 11 1HA GLY 11 -2.236 -13.142 -5.196 50 HA3 GLY 11 2HA GLY 11 -3.543 -12.194 -5.891 51 H HIS 12 H HIS 12 -4.162 -10.273 -4.930 52 HA HIS 12 HA HIS 12 -2.280 -9.258 -2.913 53 HB2 HIS 12 1HB HIS 12 -3.407 -7.008 -3.761 54 HB3 HIS 12 2HB HIS 12 -2.077 -7.759 -4.637 55 HD1 HIS 12 1HD HIS 12 -5.805 -7.278 -4.798 56 HD2 HIS 12 2HD HIS 12 -2.695 -8.671 -7.174 57 HE1 HIS 12 1HE HIS 12 -6.791 -7.568 -7.093 58 HE2 HIS 12 2HE HIS 12 -4.912 -8.493 -8.494 59 H PHE 13 H PHE 13 -2.984 -8.918 -0.917 60 HA PHE 13 HA PHE 13 -5.862 -8.988 -0.404 61 HB2 PHE 13 1HB PHE 13 -5.123 -9.219 2.003 62 HB3 PHE 13 2HB PHE 13 -4.643 -10.537 0.939 63 HD1 PHE 13 2HD PHE 13 -3.471 -7.599 2.802 64 HD2 PHE 13 1HD PHE 13 -2.346 -10.963 0.449 65 HE1 PHE 13 2HE PHE 13 -1.127 -7.285 3.480 66 HE2 PHE 13 1HE PHE 13 0.000 -10.655 1.125 67 HZ PHE 13 HZ PHE 13 0.612 -8.813 2.641 68 H SER 14 H SER 14 -6.447 -7.600 1.652 69 HA SER 14 HA SER 14 -5.450 -4.873 1.148 70 HB2 SER 14 1HB SER 14 -7.699 -4.101 1.927 71 HB3 SER 14 2HB SER 14 -7.757 -5.058 0.447 72 HG SER 14 HG SER 14 -9.137 -5.495 2.579 73 H VAL 15 H VAL 15 -5.449 -3.410 2.979 74 HA VAL 15 HA VAL 15 -5.128 -4.813 5.553 75 HB VAL 15 HB VAL 15 -3.552 -2.430 4.567 76 HG11 VAL 15 1HG1 VAL 15 -2.530 -2.287 6.610 77 HG12 VAL 15 2HG1 VAL 15 -4.146 -2.794 7.108 78 HG13 VAL 15 3HG1 VAL 15 -2.841 -3.977 7.008 79 HG21 VAL 15 1HG2 VAL 15 -2.926 -5.353 4.772 80 HG22 VAL 15 2HG2 VAL 15 -2.671 -4.254 3.417 81 HG23 VAL 15 3HG2 VAL 15 -1.646 -4.143 4.847 82 H GLU 16 H GLU 16 -6.542 -4.195 7.037 83 HA GLU 16 HA GLU 16 -7.750 -1.520 6.805 84 HB2 GLU 16 1HB GLU 16 -8.839 -3.979 8.188 85 HB3 GLU 16 2HB GLU 16 -9.651 -2.425 8.063 86 HG2 GLU 16 1HG GLU 16 -9.704 -2.669 5.620 87 HG3 GLU 16 2HG GLU 16 -8.945 -4.252 5.778 88 H LEU 17 H LEU 17 -7.129 -0.073 8.254 89 HA LEU 17 HA LEU 17 -6.468 -0.965 10.971 90 HB2 LEU 17 1HB LEU 17 -4.866 1.067 9.428 91 HB3 LEU 17 2HB LEU 17 -4.545 0.486 11.060 92 HG LEU 17 HG LEU 17 -4.420 -1.260 8.606 93 HD11 LEU 17 1HD1 LEU 17 -1.897 -0.611 9.886 94 HD12 LEU 17 2HD1 LEU 17 -2.691 0.805 9.199 95 HD13 LEU 17 3HD1 LEU 17 -2.341 -0.590 8.179 96 HD21 LEU 17 1HD2 LEU 17 -3.779 -1.618 11.507 97 HD22 LEU 17 2HD2 LEU 17 -2.932 -2.561 10.281 98 HD23 LEU 17 3HD2 LEU 17 -4.687 -2.672 10.423 99 H VAL 18 H VAL 18 -6.338 0.942 12.502 100 HA VAL 18 HA VAL 18 -8.314 2.993 11.739 101 HB VAL 18 HB VAL 18 -7.999 1.739 14.469 102 HG11 VAL 18 1HG1 VAL 18 -10.181 3.583 13.532 103 HG12 VAL 18 2HG1 VAL 18 -9.810 3.073 15.180 104 HG13 VAL 18 3HG1 VAL 18 -8.719 4.166 14.327 105 HG21 VAL 18 1HG2 VAL 18 -10.325 1.458 12.579 106 HG22 VAL 18 2HG2 VAL 18 -9.015 0.281 12.678 107 HG23 VAL 18 3HG2 VAL 18 -10.036 0.584 14.084 108 H ARG 19 H ARG 19 -7.445 4.950 11.708 109 HA ARG 19 HA ARG 19 -4.942 5.722 12.387 110 HB2 ARG 19 1HB ARG 19 -6.414 7.208 11.190 111 HB3 ARG 19 2HB ARG 19 -7.479 7.347 12.583 112 HG2 ARG 19 1HG ARG 19 -5.777 8.536 13.816 113 HG3 ARG 19 2HG ARG 19 -4.630 8.315 12.493 114 HD2 ARG 19 1HD ARG 19 -6.362 9.533 11.048 115 HD3 ARG 19 2HD ARG 19 -7.102 10.015 12.574 116 HE ARG 19 HE ARG 19 -5.378 11.490 12.909 117 HH11 ARG 19 2HH1 ARG 19 -4.531 9.283 10.353 118 HH12 ARG 19 1HH1 ARG 19 -3.104 10.154 9.897 119 HH21 ARG 19 2HH2 ARG 19 -3.501 12.644 12.318 120 HH22 ARG 19 1HH2 ARG 19 -2.518 12.065 11.017 121 H GLY 20 H GLY 20 -3.810 5.662 14.207 122 HA2 GLY 20 1HA GLY 20 -5.199 5.529 16.768 123 HA3 GLY 20 2HA GLY 20 -3.491 5.222 16.492 124 H TYR 21 H TYR 21 -2.835 6.542 18.192 125 HA TYR 21 HA TYR 21 -3.670 9.114 18.758 126 HB2 TYR 21 1HB TYR 21 -2.202 7.894 20.255 127 HB3 TYR 21 2HB TYR 21 -0.911 7.912 19.059 128 HD1 TYR 21 1HD TYR 21 -3.075 10.261 20.996 129 HD2 TYR 21 2HD TYR 21 0.716 9.553 19.198 130 HE1 TYR 21 1HE TYR 21 -2.240 12.373 21.940 131 HE2 TYR 21 2HE TYR 21 1.562 11.663 20.138 132 HH TYR 21 HH TYR 21 0.038 13.334 22.571 133 H ALA 22 H ALA 22 -0.884 8.172 16.742 134 HA ALA 22 HA ALA 22 -1.224 10.682 15.249 135 HB1 ALA 22 1HB ALA 22 0.896 10.163 16.993 136 HB2 ALA 22 2HB ALA 22 1.552 9.938 15.371 137 HB3 ALA 22 3HB ALA 22 0.779 11.462 15.805 138 H GLY 23 H GLY 23 -1.794 10.070 13.263 139 HA2 GLY 23 1HA GLY 23 -1.862 8.913 11.278 140 HA3 GLY 23 2HA GLY 23 -0.121 8.788 11.479 141 H PHE 24 H PHE 24 0.029 6.731 10.613 142 HA PHE 24 HA PHE 24 -1.242 4.598 12.200 143 HB2 PHE 24 1HB PHE 24 -0.521 4.671 9.268 144 HB3 PHE 24 2HB PHE 24 -0.946 3.188 10.116 145 HD1 PHE 24 2HD PHE 24 -2.202 6.479 9.031 146 HD2 PHE 24 1HD PHE 24 -3.196 2.649 10.598 147 HE1 PHE 24 2HE PHE 24 -4.585 6.933 8.620 148 HE2 PHE 24 1HE PHE 24 -5.580 3.096 10.188 149 HZ PHE 24 HZ PHE 24 -6.278 5.241 9.200 150 H GLY 25 H GLY 25 1.605 6.131 11.729 151 HA2 GLY 25 1HA GLY 25 3.769 5.620 12.301 152 HA3 GLY 25 2HA GLY 25 3.137 4.166 13.058 153 H LEU 26 H LEU 26 2.480 4.680 9.709 154 HA LEU 26 HA LEU 26 4.259 2.446 9.056 155 HB2 LEU 26 1HB LEU 26 1.735 2.538 8.504 156 HB3 LEU 26 2HB LEU 26 2.222 3.622 7.202 157 HG LEU 26 HG LEU 26 3.551 1.877 6.190 158 HD11 LEU 26 1HD1 LEU 26 2.841 -0.451 7.545 159 HD12 LEU 26 2HD1 LEU 26 3.327 0.685 8.803 160 HD13 LEU 26 3HD1 LEU 26 4.434 0.305 7.484 161 HD21 LEU 26 1HD2 LEU 26 1.493 1.658 5.261 162 HD22 LEU 26 2HD2 LEU 26 0.691 1.425 6.815 163 HD23 LEU 26 3HD2 LEU 26 1.575 0.092 6.069 164 H THR 27 H THR 27 6.070 2.751 7.944 165 HA THR 27 HA THR 27 6.397 5.284 6.471 166 HB THR 27 HB THR 27 8.454 3.726 8.039 167 HG1 THR 27 1HG THR 27 8.045 5.209 9.481 168 HG21 THR 27 1HG2 THR 27 8.773 5.527 5.760 169 HG22 THR 27 2HG2 THR 27 9.933 4.424 6.502 170 HG23 THR 27 3HG2 THR 27 9.683 6.031 7.184 171 H LEU 28 H LEU 28 7.395 5.227 4.472 172 HA LEU 28 HA LEU 28 7.761 2.538 3.326 173 HB2 LEU 28 1HB LEU 28 6.609 5.059 2.243 174 HB3 LEU 28 2HB LEU 28 7.428 3.964 1.132 175 HG LEU 28 HG LEU 28 5.187 3.042 2.911 176 HD11 LEU 28 1HD1 LEU 28 4.177 4.790 1.695 177 HD12 LEU 28 2HD1 LEU 28 3.770 3.307 0.832 178 HD13 LEU 28 3HD1 LEU 28 5.039 4.365 0.216 179 HD21 LEU 28 1HD2 LEU 28 6.757 1.419 1.778 180 HD22 LEU 28 2HD2 LEU 28 6.104 1.993 0.244 181 HD23 LEU 28 3HD2 LEU 28 5.043 1.214 1.418 182 H GLY 29 H GLY 29 9.751 2.005 2.718 183 HA2 GLY 29 1HA GLY 29 11.727 4.170 2.397 184 HA3 GLY 29 2HA GLY 29 12.107 2.526 2.886 185 H GLY 30 H GLY 30 12.675 4.519 0.494 186 HA2 GLY 30 1HA GLY 30 13.753 3.704 -1.498 187 HA3 GLY 30 2HA GLY 30 12.614 2.366 -1.515 188 H GLY 31 H GLY 31 11.474 2.543 -3.337 189 HA2 GLY 31 1HA GLY 31 9.772 3.401 -4.669 190 HA3 GLY 31 2HA GLY 31 9.793 4.868 -3.702 191 H ARG 32 H ARG 32 9.841 6.344 -5.340 192 HA ARG 32 HA ARG 32 11.744 6.097 -7.501 193 HB2 ARG 32 1HB ARG 32 9.328 7.176 -7.476 194 HB3 ARG 32 2HB ARG 32 10.220 8.613 -6.993 195 HG2 ARG 32 1HG ARG 32 11.707 8.000 -9.065 196 HG3 ARG 32 2HG ARG 32 10.256 7.132 -9.571 197 HD2 ARG 32 1HD ARG 32 10.286 9.394 -10.480 198 HD3 ARG 32 2HD ARG 32 8.949 9.183 -9.351 199 HE ARG 32 HE ARG 32 10.963 10.207 -7.826 200 HH11 ARG 32 2HH1 ARG 32 9.356 11.194 -10.753 201 HH12 ARG 32 1HH1 ARG 32 9.580 12.886 -10.460 202 HH21 ARG 32 2HH2 ARG 32 11.264 12.433 -7.429 203 HH22 ARG 32 1HH2 ARG 32 10.666 13.590 -8.570 204 H ASP 33 H ASP 33 13.816 6.419 -6.955 205 HA ASP 33 HA ASP 33 14.469 8.890 -5.489 206 HB2 ASP 33 1HB ASP 33 14.874 6.534 -4.371 207 HB3 ASP 33 2HB ASP 33 16.305 6.533 -5.398 208 H VAL 34 H VAL 34 16.589 9.803 -5.991 209 HA VAL 34 HA VAL 34 17.008 10.000 -8.783 210 HB VAL 34 HB VAL 34 17.533 11.738 -6.952 211 HG11 VAL 34 1HG1 VAL 34 18.971 10.300 -5.595 212 HG12 VAL 34 2HG1 VAL 34 20.119 10.184 -6.930 213 HG13 VAL 34 3HG1 VAL 34 19.835 11.736 -6.142 214 HG21 VAL 34 1HG2 VAL 34 18.558 12.900 -8.570 215 HG22 VAL 34 2HG2 VAL 34 19.865 11.725 -8.716 216 HG23 VAL 34 3HG2 VAL 34 18.337 11.452 -9.554 217 H ALA 35 H ALA 35 18.349 7.963 -6.327 218 HA ALA 35 HA ALA 35 20.640 7.180 -7.917 219 HB1 ALA 35 1HB ALA 35 21.032 7.236 -5.588 220 HB2 ALA 35 2HB ALA 35 19.589 6.281 -5.247 221 HB3 ALA 35 3HB ALA 35 20.977 5.530 -6.033 222 H GLY 36 H GLY 36 17.606 6.646 -8.516 223 HA2 GLY 36 1HA GLY 36 17.355 4.853 -10.282 224 HA3 GLY 36 2HA GLY 36 17.906 3.753 -9.027 225 H ASP 37 H ASP 37 15.447 3.552 -10.448 226 HA ASP 37 HA ASP 37 13.386 4.426 -8.592 227 HB2 ASP 37 1HB ASP 37 11.950 3.068 -10.335 228 HB3 ASP 37 2HB ASP 37 12.571 4.667 -10.736 229 H THR 38 H THR 38 13.279 3.250 -6.779 230 HA THR 38 HA THR 38 13.513 0.329 -6.963 231 HB THR 38 HB THR 38 13.579 0.503 -4.405 232 HG1 THR 38 1HG THR 38 14.294 2.609 -3.687 233 HG21 THR 38 1HG2 THR 38 15.978 1.182 -4.422 234 HG22 THR 38 2HG2 THR 38 15.778 1.692 -6.098 235 HG23 THR 38 3HG2 THR 38 15.570 -0.004 -5.661 236 HA PRO 39 HA PRO 39 9.200 -0.258 -6.327 237 HB2 PRO 39 1HB PRO 39 9.239 -2.700 -5.142 238 HB3 PRO 39 2HB PRO 39 9.567 -2.462 -6.862 239 HG2 PRO 39 1HG PRO 39 11.493 -2.827 -4.600 240 HG3 PRO 39 2HG PRO 39 11.524 -3.542 -6.223 241 HD2 PRO 39 1HD PRO 39 13.053 -1.414 -5.539 242 HD3 PRO 39 2HD PRO 39 12.414 -1.644 -7.180 243 H LEU 40 H LEU 40 8.090 0.861 -4.855 244 HA LEU 40 HA LEU 40 8.865 1.425 -2.254 245 HB2 LEU 40 1HB LEU 40 6.277 1.504 -3.720 246 HB3 LEU 40 2HB LEU 40 6.256 1.713 -1.971 247 HG LEU 40 HG LEU 40 7.957 3.421 -3.769 248 HD11 LEU 40 1HD1 LEU 40 6.260 4.955 -4.063 249 HD12 LEU 40 2HD1 LEU 40 5.304 4.314 -2.728 250 HD13 LEU 40 3HD1 LEU 40 5.403 3.425 -4.247 251 HD21 LEU 40 1HD2 LEU 40 8.240 3.186 -1.195 252 HD22 LEU 40 2HD2 LEU 40 6.791 4.189 -1.126 253 HD23 LEU 40 3HD2 LEU 40 8.242 4.789 -1.931 254 H ALA 41 H ALA 41 8.505 0.524 -0.273 255 HA ALA 41 HA ALA 41 6.721 -1.668 0.143 256 HB1 ALA 41 1HB ALA 41 8.188 -3.454 0.403 257 HB2 ALA 41 2HB ALA 41 8.778 -2.652 -1.054 258 HB3 ALA 41 3HB ALA 41 9.604 -2.406 0.485 259 H VAL 42 H VAL 42 6.344 -2.048 2.303 260 HA VAL 42 HA VAL 42 6.689 -0.085 4.154 261 HB VAL 42 HB VAL 42 6.460 -3.056 4.615 262 HG11 VAL 42 1HG1 VAL 42 6.993 -0.917 6.513 263 HG12 VAL 42 2HG1 VAL 42 5.527 -1.823 6.894 264 HG13 VAL 42 3HG1 VAL 42 7.068 -2.666 6.727 265 HG21 VAL 42 1HG2 VAL 42 4.235 -2.785 4.479 266 HG22 VAL 42 2HG2 VAL 42 4.268 -1.250 5.345 267 HG23 VAL 42 3HG2 VAL 42 4.635 -1.297 3.621 268 H ARG 43 H ARG 43 8.398 0.797 5.095 269 HA ARG 43 HA ARG 43 10.929 -0.654 5.137 270 HB2 ARG 43 1HB ARG 43 10.981 1.614 4.268 271 HB3 ARG 43 2HB ARG 43 10.262 2.229 5.750 272 HG2 ARG 43 1HG ARG 43 12.840 2.396 5.324 273 HG3 ARG 43 2HG ARG 43 12.206 2.052 6.934 274 HD2 ARG 43 1HD ARG 43 12.729 -0.229 6.773 275 HD3 ARG 43 2HD ARG 43 12.932 -0.145 5.024 276 HE ARG 43 HE ARG 43 15.107 0.439 5.366 277 HH11 ARG 43 2HH1 ARG 43 13.308 1.121 8.267 278 HH12 ARG 43 1HH1 ARG 43 14.706 1.576 9.183 279 HH21 ARG 43 2HH2 ARG 43 16.956 1.036 6.562 280 HH22 ARG 43 1HH2 ARG 43 16.781 1.528 8.212 281 H GLY 44 H GLY 44 9.344 1.543 7.464 282 HA2 GLY 44 1HA GLY 44 10.192 -0.316 9.601 283 HA3 GLY 44 2HA GLY 44 10.206 1.432 9.786 284 H LEU 45 H LEU 45 8.866 -0.422 11.492 285 HA LEU 45 HA LEU 45 6.077 0.406 11.029 286 HB2 LEU 45 1HB LEU 45 7.184 -2.206 11.988 287 HB3 LEU 45 2HB LEU 45 5.559 -1.698 12.444 288 HG LEU 45 HG LEU 45 6.369 -1.821 9.561 289 HD11 LEU 45 1HD1 LEU 45 6.822 -4.003 10.874 290 HD12 LEU 45 2HD1 LEU 45 5.895 -4.078 9.377 291 HD13 LEU 45 3HD1 LEU 45 5.064 -4.137 10.931 292 HD21 LEU 45 1HD2 LEU 45 3.693 -2.632 10.276 293 HD22 LEU 45 2HD2 LEU 45 4.228 -1.348 9.191 294 HD23 LEU 45 3HD2 LEU 45 4.070 -1.033 10.920 295 H LEU 46 H LEU 46 5.858 2.092 12.384 296 HA LEU 46 HA LEU 46 7.167 2.624 14.731 297 HB2 LEU 46 1HB LEU 46 5.390 3.974 13.372 298 HB3 LEU 46 2HB LEU 46 4.257 3.260 14.517 299 HG LEU 46 HG LEU 46 5.997 4.256 16.265 300 HD11 LEU 46 1HD1 LEU 46 7.572 5.148 14.718 301 HD12 LEU 46 2HD1 LEU 46 6.709 6.507 15.438 302 HD13 LEU 46 3HD1 LEU 46 6.304 5.969 13.808 303 HD21 LEU 46 1HD2 LEU 46 3.658 4.773 16.285 304 HD22 LEU 46 2HD2 LEU 46 3.814 5.765 14.836 305 HD23 LEU 46 3HD2 LEU 46 4.560 6.287 16.347 306 H LYS 47 H LYS 47 7.343 1.529 16.560 307 HA LYS 47 HA LYS 47 5.887 -0.736 17.245 308 HB2 LYS 47 1HB LYS 47 8.001 -0.386 18.277 309 HB3 LYS 47 2HB LYS 47 7.509 1.174 18.921 310 HG2 LYS 47 1HG LYS 47 7.529 -0.353 20.728 311 HG3 LYS 47 2HG LYS 47 5.837 -0.040 20.337 312 HD2 LYS 47 1HD LYS 47 5.974 -2.143 18.885 313 HD3 LYS 47 2HD LYS 47 7.480 -2.484 19.739 314 HE2 LYS 47 1HE LYS 47 6.033 -3.605 21.093 315 HE3 LYS 47 2HE LYS 47 5.951 -2.016 21.852 316 HZ1 LYS 47 1HZ LYS 47 4.060 -2.840 19.730 317 HZ2 LYS 47 2HZ LYS 47 3.909 -1.566 20.831 318 HZ3 LYS 47 3HZ LYS 47 3.768 -3.165 21.365 319 H ASP 48 H ASP 48 4.377 -1.097 18.984 320 HA ASP 48 HA ASP 48 2.355 -0.746 19.973 321 HB2 ASP 48 1HB ASP 48 3.935 1.702 20.614 322 HB3 ASP 48 2HB ASP 48 2.218 1.697 21.009 323 H GLY 49 H GLY 49 2.633 -0.129 17.114 324 HA2 GLY 49 1HA GLY 49 0.635 2.011 16.801 325 HA3 GLY 49 2HA GLY 49 1.689 1.410 15.530 326 HA PRO 50 HA PRO 50 -2.606 -0.639 15.517 327 HB2 PRO 50 1HB PRO 50 -3.653 0.662 13.377 328 HB3 PRO 50 2HB PRO 50 -3.843 1.237 15.037 329 HG2 PRO 50 1HG PRO 50 -1.912 2.131 12.932 330 HG3 PRO 50 2HG PRO 50 -2.858 3.108 14.070 331 HD2 PRO 50 1HD PRO 50 -0.241 2.538 14.465 332 HD3 PRO 50 2HD PRO 50 -1.387 2.738 15.806 333 H ALA 51 H ALA 51 -0.150 0.175 13.195 334 HA ALA 51 HA ALA 51 -1.008 -1.810 11.269 335 HB1 ALA 51 1HB ALA 51 1.549 -0.214 11.321 336 HB2 ALA 51 2HB ALA 51 0.878 -1.104 9.953 337 HB3 ALA 51 3HB ALA 51 0.045 0.322 10.572 338 H GLN 52 H GLN 52 1.734 -1.362 13.490 339 HA GLN 52 HA GLN 52 2.953 -3.851 12.895 340 HB2 GLN 52 1HB GLN 52 4.202 -1.994 13.887 341 HB3 GLN 52 2HB GLN 52 3.220 -2.096 15.342 342 HG2 GLN 52 1HG GLN 52 5.353 -3.134 15.724 343 HG3 GLN 52 2HG GLN 52 4.086 -4.359 15.744 344 HE21 GLN 52 1HE2 GLN 52 6.924 -3.212 14.192 345 HE22 GLN 52 2HE2 GLN 52 7.087 -4.497 13.049 346 H ARG 53 H ARG 53 0.607 -2.808 15.302 347 HA ARG 53 HA ARG 53 0.641 -5.183 16.847 348 HB2 ARG 53 1HB ARG 53 -1.289 -2.902 16.551 349 HB3 ARG 53 2HB ARG 53 -1.719 -4.314 17.508 350 HG2 ARG 53 1HG ARG 53 -0.111 -3.884 19.109 351 HG3 ARG 53 2HG ARG 53 0.856 -2.891 18.017 352 HD2 ARG 53 1HD ARG 53 -0.447 -1.036 18.330 353 HD3 ARG 53 2HD ARG 53 -1.894 -1.980 18.684 354 HE ARG 53 HE ARG 53 0.170 -2.173 20.686 355 HH11 ARG 53 2HH1 ARG 53 -2.630 -0.419 19.589 356 HH12 ARG 53 1HH1 ARG 53 -2.999 0.229 21.153 357 HH21 ARG 53 2HH2 ARG 53 -0.305 -1.326 22.750 358 HH22 ARG 53 1HH2 ARG 53 -1.675 -0.287 22.950 359 H CYS 54 H CYS 54 -0.983 -4.250 13.911 360 HA CYS 54 HA CYS 54 -3.020 -6.196 13.907 361 HB2 CYS 54 1HB CYS 54 -2.669 -4.117 12.377 362 HB3 CYS 54 2HB CYS 54 -1.721 -5.217 11.383 363 HG CYS 54 HG CYS 54 -4.983 -5.799 12.234 364 H GLY 55 H GLY 55 0.349 -6.283 12.923 365 HA2 GLY 55 1HA GLY 55 1.721 -8.114 12.601 366 HA3 GLY 55 2HA GLY 55 0.360 -9.151 13.000 367 H ARG 56 H ARG 56 -0.616 -7.035 10.640 368 HA ARG 56 HA ARG 56 -0.332 -9.106 8.598 369 HB2 ARG 56 1HB ARG 56 -2.015 -6.594 8.643 370 HB3 ARG 56 2HB ARG 56 -2.019 -7.791 7.354 371 HG2 ARG 56 1HG ARG 56 -2.727 -9.481 9.081 372 HG3 ARG 56 2HG ARG 56 -2.963 -8.126 10.186 373 HD2 ARG 56 1HD ARG 56 -5.071 -8.285 9.333 374 HD3 ARG 56 2HD ARG 56 -4.364 -7.181 8.153 375 HE ARG 56 HE ARG 56 -4.508 -8.830 6.560 376 HH11 ARG 56 2HH1 ARG 56 -5.082 -10.194 9.711 377 HH12 ARG 56 1HH1 ARG 56 -5.611 -11.724 9.096 378 HH21 ARG 56 2HH2 ARG 56 -5.203 -10.841 5.737 379 HH22 ARG 56 1HH2 ARG 56 -5.679 -12.092 6.835 380 H LEU 57 H LEU 57 0.919 -6.032 9.463 381 HA LEU 57 HA LEU 57 2.105 -5.702 6.790 382 HB2 LEU 57 1HB LEU 57 1.350 -3.782 8.943 383 HB3 LEU 57 2HB LEU 57 2.660 -3.365 7.840 384 HG LEU 57 HG LEU 57 -0.078 -4.129 6.858 385 HD11 LEU 57 1HD1 LEU 57 -0.363 -2.240 8.353 386 HD12 LEU 57 2HD1 LEU 57 -0.554 -1.730 6.676 387 HD13 LEU 57 3HD1 LEU 57 0.941 -1.375 7.540 388 HD21 LEU 57 1HD2 LEU 57 1.055 -4.076 4.934 389 HD22 LEU 57 2HD2 LEU 57 2.448 -3.283 5.672 390 HD23 LEU 57 3HD2 LEU 57 1.067 -2.324 5.136 391 H GLU 58 H GLU 58 4.125 -6.392 6.624 392 HA GLU 58 HA GLU 58 5.896 -6.129 8.966 393 HB2 GLU 58 1HB GLU 58 5.991 -8.266 6.829 394 HB3 GLU 58 2HB GLU 58 7.083 -8.128 8.200 395 HG2 GLU 58 1HG GLU 58 5.460 -8.774 9.724 396 HG3 GLU 58 2HG GLU 58 4.137 -8.393 8.623 397 H VAL 59 H VAL 59 8.297 -6.313 8.189 398 HA VAL 59 HA VAL 59 8.701 -4.122 6.353 399 HB VAL 59 HB VAL 59 10.777 -5.802 7.765 400 HG11 VAL 59 1HG1 VAL 59 10.898 -3.161 6.328 401 HG12 VAL 59 2HG1 VAL 59 12.157 -3.715 7.434 402 HG13 VAL 59 3HG1 VAL 59 11.797 -4.636 5.972 403 HG21 VAL 59 1HG2 VAL 59 10.401 -4.688 9.658 404 HG22 VAL 59 2HG2 VAL 59 10.336 -3.138 8.818 405 HG23 VAL 59 3HG2 VAL 59 8.890 -4.140 8.931 406 H GLY 60 H GLY 60 8.951 -4.351 4.236 407 HA2 GLY 60 1HA GLY 60 10.316 -5.280 2.440 408 HA3 GLY 60 2HA GLY 60 10.184 -6.841 3.236 409 H ASP 61 H ASP 61 7.262 -5.237 3.422 410 HA ASP 61 HA ASP 61 6.061 -7.032 1.514 411 HB2 ASP 61 1HB ASP 61 5.011 -5.005 3.465 412 HB3 ASP 61 2HB ASP 61 3.952 -5.678 2.229 413 H LEU 62 H LEU 62 5.479 -6.603 -0.520 414 HA LEU 62 HA LEU 62 6.116 -3.997 -1.624 415 HB2 LEU 62 1HB LEU 62 4.969 -6.326 -3.129 416 HB3 LEU 62 2HB LEU 62 5.946 -4.996 -3.747 417 HG LEU 62 HG LEU 62 7.045 -7.047 -1.841 418 HD11 LEU 62 1HD1 LEU 62 6.300 -8.321 -3.706 419 HD12 LEU 62 2HD1 LEU 62 8.039 -8.096 -3.885 420 HD13 LEU 62 3HD1 LEU 62 6.922 -7.130 -4.848 421 HD21 LEU 62 1HD2 LEU 62 8.776 -5.653 -1.886 422 HD22 LEU 62 2HD2 LEU 62 8.039 -4.674 -3.154 423 HD23 LEU 62 3HD2 LEU 62 8.996 -6.094 -3.580 424 H VAL 63 H VAL 63 4.692 -2.474 -2.205 425 HA VAL 63 HA VAL 63 1.872 -2.952 -1.645 426 HB VAL 63 HB VAL 63 2.868 -0.303 -2.584 427 HG11 VAL 63 1HG1 VAL 63 0.460 -0.943 -1.936 428 HG12 VAL 63 2HG1 VAL 63 1.049 -0.882 -0.274 429 HG13 VAL 63 3HG1 VAL 63 1.131 0.555 -1.294 430 HG21 VAL 63 1HG2 VAL 63 3.241 -0.063 0.084 431 HG22 VAL 63 2HG2 VAL 63 3.813 -1.711 -0.178 432 HG23 VAL 63 3HG2 VAL 63 4.537 -0.374 -1.071 433 H LEU 64 H LEU 64 0.404 -3.312 -3.172 434 HA LEU 64 HA LEU 64 1.188 -2.998 -5.974 435 HB2 LEU 64 1HB LEU 64 -1.008 -4.536 -4.614 436 HB3 LEU 64 2HB LEU 64 -0.941 -4.327 -6.363 437 HG LEU 64 HG LEU 64 -0.002 -6.493 -5.216 438 HD11 LEU 64 1HD1 LEU 64 1.987 -5.716 -7.145 439 HD12 LEU 64 2HD1 LEU 64 0.381 -5.203 -7.660 440 HD13 LEU 64 3HD1 LEU 64 0.687 -6.899 -7.285 441 HD21 LEU 64 1HD2 LEU 64 2.340 -4.601 -5.035 442 HD22 LEU 64 2HD2 LEU 64 2.404 -6.348 -4.799 443 HD23 LEU 64 3HD2 LEU 64 1.492 -5.338 -3.676 444 H HIS 65 H HIS 65 -1.385 -2.098 -3.716 445 HA HIS 65 HA HIS 65 -1.975 0.232 -5.350 446 HB2 HIS 65 1HB HIS 65 -4.155 -1.716 -4.575 447 HB3 HIS 65 2HB HIS 65 -4.369 -0.200 -5.444 448 HD1 HIS 65 1HD HIS 65 -2.539 -0.280 -7.717 449 HD2 HIS 65 2HD HIS 65 -4.385 -3.737 -6.337 450 HE1 HIS 65 1HE HIS 65 -2.485 -1.889 -9.649 451 HE2 HIS 65 2HE HIS 65 -3.683 -3.942 -8.818 452 H ILE 66 H ILE 66 -3.961 1.413 -4.166 453 HA ILE 66 HA ILE 66 -3.854 1.144 -1.285 454 HB ILE 66 HB ILE 66 -2.817 3.633 -2.645 455 HG12 ILE 66 1HG1 ILE 66 -1.527 1.683 -0.724 456 HG13 ILE 66 2HG1 ILE 66 -1.152 1.855 -2.435 457 HG21 ILE 66 1HG2 ILE 66 -3.509 4.804 -0.894 458 HG22 ILE 66 2HG2 ILE 66 -4.219 3.355 -0.184 459 HG23 ILE 66 3HG2 ILE 66 -2.543 3.777 0.165 460 HD11 ILE 66 1HD1 ILE 66 0.317 3.445 -1.996 461 HD12 ILE 66 2HD1 ILE 66 -0.889 4.383 -1.116 462 HD13 ILE 66 3HD1 ILE 66 0.055 3.153 -0.277 463 H ASN 67 H ASN 67 -5.860 1.413 -0.587 464 HA ASN 67 HA ASN 67 -8.057 2.004 -0.493 465 HB2 ASN 67 1HB ASN 67 -6.612 4.512 -1.189 466 HB3 ASN 67 2HB ASN 67 -8.369 4.530 -1.306 467 HD21 ASN 67 1HD2 ASN 67 -5.852 5.157 0.676 468 HD22 ASN 67 2HD2 ASN 67 -6.635 5.008 2.209 469 H GLY 68 H GLY 68 -7.395 0.556 -2.774 470 HA2 GLY 68 1HA GLY 68 -8.386 -0.089 -4.746 471 HA3 GLY 68 2HA GLY 68 -9.627 1.116 -4.435 472 H GLU 69 H GLU 69 -6.534 2.459 -4.387 473 HA GLU 69 HA GLU 69 -6.969 3.574 -7.067 474 HB2 GLU 69 1HB GLU 69 -5.100 4.607 -4.933 475 HB3 GLU 69 2HB GLU 69 -5.621 5.440 -6.391 476 HG2 GLU 69 1HG GLU 69 -7.683 4.583 -4.430 477 HG3 GLU 69 2HG GLU 69 -6.678 5.981 -4.051 478 H SER 70 H SER 70 -5.469 3.416 -8.663 479 HA SER 70 HA SER 70 -3.470 1.364 -8.381 480 HB2 SER 70 1HB SER 70 -4.190 3.155 -10.714 481 HB3 SER 70 2HB SER 70 -3.022 1.835 -10.792 482 HG SER 70 HG SER 70 -4.658 0.578 -11.124 483 H THR 71 H THR 71 -1.624 1.820 -7.379 484 HA THR 71 HA THR 71 -0.505 4.475 -7.365 485 HB THR 71 HB THR 71 -0.274 3.194 -5.347 486 HG1 THR 71 1HG THR 71 1.621 4.096 -5.156 487 HG21 THR 71 1HG2 THR 71 0.097 1.020 -7.065 488 HG22 THR 71 2HG2 THR 71 0.130 1.000 -5.302 489 HG23 THR 71 3HG2 THR 71 1.628 1.201 -6.210 490 H GLN 72 H GLN 72 -0.597 2.361 -9.750 491 HA GLN 72 HA GLN 72 2.019 1.851 -10.552 492 HB2 GLN 72 1HB GLN 72 0.179 0.784 -11.671 493 HB3 GLN 72 2HB GLN 72 -0.470 2.334 -12.190 494 HG2 GLN 72 1HG GLN 72 1.341 2.669 -13.702 495 HG3 GLN 72 2HG GLN 72 2.200 1.268 -13.066 496 HE21 GLN 72 1HE2 GLN 72 -0.253 2.393 -15.190 497 HE22 GLN 72 2HE2 GLN 72 -0.641 0.870 -15.907 498 H GLY 73 H GLY 73 0.318 4.814 -10.401 499 HA2 GLY 73 1HA GLY 73 2.538 6.128 -11.834 500 HA3 GLY 73 2HA GLY 73 0.871 6.604 -12.126 501 H LEU 74 H LEU 74 1.875 5.698 -8.931 502 HA LEU 74 HA LEU 74 1.755 8.533 -8.135 503 HB2 LEU 74 1HB LEU 74 0.970 6.118 -6.510 504 HB3 LEU 74 2HB LEU 74 0.859 7.800 -5.996 505 HG LEU 74 HG LEU 74 -0.787 6.412 -8.103 506 HD11 LEU 74 1HD1 LEU 74 -1.866 7.919 -5.773 507 HD12 LEU 74 2HD1 LEU 74 -1.221 6.297 -5.520 508 HD13 LEU 74 3HD1 LEU 74 -2.551 6.551 -6.650 509 HD21 LEU 74 1HD2 LEU 74 -0.168 9.252 -7.719 510 HD22 LEU 74 2HD2 LEU 74 -1.889 8.880 -7.812 511 HD23 LEU 74 3HD2 LEU 74 -0.812 8.409 -9.127 512 H THR 75 H THR 75 3.561 9.336 -7.312 513 HA THR 75 HA THR 75 5.832 7.672 -6.796 514 HB THR 75 HB THR 75 6.904 9.840 -6.053 515 HG1 THR 75 1HG THR 75 5.509 11.361 -5.585 516 HG21 THR 75 1HG2 THR 75 6.747 8.869 -8.462 517 HG22 THR 75 2HG2 THR 75 7.297 10.529 -8.234 518 HG23 THR 75 3HG2 THR 75 5.639 10.211 -8.742 519 H HIS 76 H HIS 76 7.150 8.402 -4.692 520 HA HIS 76 HA HIS 76 5.915 7.170 -2.518 521 HB2 HIS 76 1HB HIS 76 8.325 7.322 -2.658 522 HB3 HIS 76 2HB HIS 76 8.258 9.081 -2.585 523 HD1 HIS 76 1HD HIS 76 9.084 9.814 -0.383 524 HD2 HIS 76 2HD HIS 76 6.803 6.353 -0.092 525 HE1 HIS 76 1HE HIS 76 8.984 9.279 2.072 526 HE2 HIS 76 2HE HIS 76 7.671 7.135 2.216 527 H ALA 77 H ALA 77 5.750 10.431 -3.633 528 HA ALA 77 HA ALA 77 4.712 11.450 -1.118 529 HB1 ALA 77 1HB ALA 77 4.374 13.285 -3.287 530 HB2 ALA 77 2HB ALA 77 5.433 13.404 -1.881 531 HB3 ALA 77 3HB ALA 77 5.995 12.593 -3.343 532 H GLN 78 H GLN 78 3.551 10.624 -4.344 533 HA GLN 78 HA GLN 78 0.916 11.612 -3.986 534 HB2 GLN 78 1HB GLN 78 2.131 9.633 -5.904 535 HB3 GLN 78 2HB GLN 78 0.416 10.022 -5.930 536 HG2 GLN 78 1HG GLN 78 1.321 12.489 -6.042 537 HG3 GLN 78 2HG GLN 78 2.756 11.690 -6.682 538 HE21 GLN 78 1HE2 GLN 78 2.809 11.415 -8.788 539 HE22 GLN 78 2HE2 GLN 78 1.444 11.366 -9.846 540 H ALA 79 H ALA 79 2.224 8.296 -3.895 541 HA ALA 79 HA ALA 79 -0.084 6.945 -3.205 542 HB1 ALA 79 1HB ALA 79 1.295 5.207 -3.204 543 HB2 ALA 79 2HB ALA 79 2.640 6.331 -3.405 544 HB3 ALA 79 3HB ALA 79 2.149 5.823 -1.789 545 H VAL 80 H VAL 80 1.983 8.932 -1.222 546 HA VAL 80 HA VAL 80 0.859 8.044 1.276 547 HB VAL 80 HB VAL 80 2.645 10.381 0.599 548 HG11 VAL 80 1HG1 VAL 80 1.109 9.828 2.994 549 HG12 VAL 80 2HG1 VAL 80 2.841 9.909 3.320 550 HG13 VAL 80 3HG1 VAL 80 2.024 11.267 2.547 551 HG21 VAL 80 1HG2 VAL 80 4.423 9.087 1.220 552 HG22 VAL 80 2HG2 VAL 80 3.461 8.090 2.310 553 HG23 VAL 80 3HG2 VAL 80 3.363 7.838 0.567 554 H GLU 81 H GLU 81 0.374 10.719 -0.954 555 HA GLU 81 HA GLU 81 -1.236 12.330 0.691 556 HB2 GLU 81 1HB GLU 81 -0.159 12.734 -1.693 557 HB3 GLU 81 2HB GLU 81 -1.742 12.207 -2.248 558 HG2 GLU 81 1HG GLU 81 -2.080 14.453 -2.138 559 HG3 GLU 81 2HG GLU 81 -2.589 13.985 -0.516 560 H ARG 82 H ARG 82 -1.909 9.440 -1.104 561 HA ARG 82 HA ARG 82 -4.758 9.741 -1.121 562 HB2 ARG 82 1HB ARG 82 -3.062 7.268 -1.512 563 HB3 ARG 82 2HB ARG 82 -4.780 7.397 -1.864 564 HG2 ARG 82 1HG ARG 82 -2.566 8.921 -3.221 565 HG3 ARG 82 2HG ARG 82 -3.475 7.566 -3.895 566 HD2 ARG 82 1HD ARG 82 -5.554 8.975 -3.544 567 HD3 ARG 82 2HD ARG 82 -4.467 10.327 -3.231 568 HE ARG 82 HE ARG 82 -3.733 9.152 -5.660 569 HH11 ARG 82 2HH1 ARG 82 -6.375 10.947 -4.275 570 HH12 ARG 82 1HH1 ARG 82 -6.844 11.669 -5.779 571 HH21 ARG 82 2HH2 ARG 82 -4.341 10.095 -7.646 572 HH22 ARG 82 1HH2 ARG 82 -5.687 11.183 -7.696 573 H ILE 83 H ILE 83 -2.399 8.180 0.967 574 HA ILE 83 HA ILE 83 -4.307 6.792 2.568 575 HB ILE 83 HB ILE 83 -1.523 7.591 3.405 576 HG12 ILE 83 1HG1 ILE 83 -2.360 5.107 1.896 577 HG13 ILE 83 2HG1 ILE 83 -1.527 6.479 1.175 578 HG21 ILE 83 1HG2 ILE 83 -1.952 5.151 4.450 579 HG22 ILE 83 2HG2 ILE 83 -2.334 6.653 5.290 580 HG23 ILE 83 3HG2 ILE 83 -3.602 5.774 4.436 581 HD11 ILE 83 1HD1 ILE 83 0.207 5.039 1.570 582 HD12 ILE 83 2HD1 ILE 83 0.235 6.014 3.039 583 HD13 ILE 83 3HD1 ILE 83 -0.505 4.414 3.057 584 H ARG 84 H ARG 84 -2.415 9.767 3.069 585 HA ARG 84 HA ARG 84 -3.382 10.436 5.586 586 HB2 ARG 84 1HB ARG 84 -2.402 12.509 5.278 587 HB3 ARG 84 2HB ARG 84 -1.527 11.529 4.109 588 HG2 ARG 84 1HG ARG 84 -2.840 12.391 2.305 589 HG3 ARG 84 2HG ARG 84 -3.913 13.230 3.426 590 HD2 ARG 84 1HD ARG 84 -0.985 13.816 3.458 591 HD3 ARG 84 2HD ARG 84 -2.003 14.529 2.207 592 HE ARG 84 HE ARG 84 -3.245 15.007 4.643 593 HH11 ARG 84 2HH1 ARG 84 -0.270 15.844 3.041 594 HH12 ARG 84 1HH1 ARG 84 -0.106 17.363 3.857 595 HH21 ARG 84 2HH2 ARG 84 -3.040 17.005 5.724 596 HH22 ARG 84 1HH2 ARG 84 -1.682 18.023 5.383 597 H ALA 85 H ALA 85 -4.717 11.144 2.390 598 HA ALA 85 HA ALA 85 -6.948 12.611 3.514 599 HB1 ALA 85 1HB ALA 85 -6.513 13.576 1.516 600 HB2 ALA 85 2HB ALA 85 -5.896 12.084 0.804 601 HB3 ALA 85 3HB ALA 85 -7.635 12.342 0.941 602 H GLY 86 H GLY 86 -6.232 9.429 3.358 603 HA2 GLY 86 1HA GLY 86 -8.572 8.248 2.305 604 HA3 GLY 86 2HA GLY 86 -7.458 7.490 3.434 605 H GLY 87 H GLY 87 -7.923 9.774 5.353 606 HA2 GLY 87 1HA GLY 87 -9.723 10.539 6.729 607 HA3 GLY 87 2HA GLY 87 -10.687 9.184 6.161 608 HA PRO 88 HA PRO 88 -9.232 8.093 10.390 609 HB2 PRO 88 1HB PRO 88 -11.571 6.931 11.130 610 HB3 PRO 88 2HB PRO 88 -11.276 8.668 11.268 611 HG2 PRO 88 1HG PRO 88 -12.757 7.161 9.147 612 HG3 PRO 88 2HG PRO 88 -13.187 8.686 9.944 613 HD2 PRO 88 1HD PRO 88 -12.072 8.594 7.478 614 HD3 PRO 88 2HD PRO 88 -11.771 9.926 8.613 615 H GLN 89 H GLN 89 -10.609 6.340 7.735 616 HA GLN 89 HA GLN 89 -9.605 3.809 8.852 617 HB2 GLN 89 1HB GLN 89 -11.704 4.342 6.748 618 HB3 GLN 89 2HB GLN 89 -11.069 2.741 7.103 619 HG2 GLN 89 1HG GLN 89 -12.935 2.717 8.396 620 HG3 GLN 89 2HG GLN 89 -11.777 3.366 9.555 621 HE21 GLN 89 1HE2 GLN 89 -13.053 4.615 10.782 622 HE22 GLN 89 2HE2 GLN 89 -13.988 5.944 10.197 623 H LEU 90 H LEU 90 -7.935 2.819 7.907 624 HA LEU 90 HA LEU 90 -6.872 3.990 5.436 625 HB2 LEU 90 1HB LEU 90 -5.145 4.062 6.928 626 HB3 LEU 90 2HB LEU 90 -5.679 2.615 7.781 627 HG LEU 90 HG LEU 90 -4.590 2.318 5.024 628 HD11 LEU 90 1HD1 LEU 90 -2.362 2.468 5.652 629 HD12 LEU 90 2HD1 LEU 90 -2.737 2.404 7.373 630 HD13 LEU 90 3HD1 LEU 90 -3.094 3.862 6.448 631 HD21 LEU 90 1HD2 LEU 90 -4.322 0.658 7.528 632 HD22 LEU 90 2HD2 LEU 90 -3.835 0.198 5.896 633 HD23 LEU 90 3HD2 LEU 90 -5.544 0.416 6.278 634 H HIS 91 H HIS 91 -6.320 2.727 3.668 635 HA HIS 91 HA HIS 91 -6.910 -0.127 3.744 636 HB2 HIS 91 1HB HIS 91 -9.012 1.149 3.091 637 HB3 HIS 91 2HB HIS 91 -8.160 1.617 1.623 638 HD1 HIS 91 1HD HIS 91 -7.960 -0.117 -0.222 639 HD2 HIS 91 2HD HIS 91 -9.657 -1.618 3.261 640 HE1 HIS 91 1HE HIS 91 -8.857 -2.385 -0.835 641 HE2 HIS 91 2HE HIS 91 -9.954 -3.238 1.266 642 H LEU 92 H LEU 92 -5.029 -0.936 3.073 643 HA LEU 92 HA LEU 92 -3.873 0.140 0.589 644 HB2 LEU 92 1HB LEU 92 -2.194 -1.010 2.791 645 HB3 LEU 92 2HB LEU 92 -1.686 -0.036 1.413 646 HG LEU 92 HG LEU 92 -3.185 0.925 3.849 647 HD11 LEU 92 1HD1 LEU 92 -0.991 2.407 3.793 648 HD12 LEU 92 2HD1 LEU 92 -0.352 0.985 2.969 649 HD13 LEU 92 3HD1 LEU 92 -1.035 0.832 4.587 650 HD21 LEU 92 1HD2 LEU 92 -2.348 3.138 2.471 651 HD22 LEU 92 2HD2 LEU 92 -3.990 2.494 2.474 652 HD23 LEU 92 3HD2 LEU 92 -2.876 2.062 1.177 653 H VAL 93 H VAL 93 -3.031 -1.343 -0.849 654 HA VAL 93 HA VAL 93 -3.768 -4.136 -0.323 655 HB VAL 93 HB VAL 93 -2.990 -3.047 -3.013 656 HG11 VAL 93 1HG1 VAL 93 -3.859 -4.969 -3.868 657 HG12 VAL 93 2HG1 VAL 93 -3.384 -5.570 -2.278 658 HG13 VAL 93 3HG1 VAL 93 -5.062 -5.126 -2.589 659 HG21 VAL 93 1HG2 VAL 93 -5.571 -2.714 -1.545 660 HG22 VAL 93 2HG2 VAL 93 -4.701 -1.562 -2.558 661 HG23 VAL 93 3HG2 VAL 93 -5.575 -2.902 -3.299 662 H ILE 94 H ILE 94 -2.172 -5.406 0.337 663 HA ILE 94 HA ILE 94 0.532 -4.944 -0.741 664 HB ILE 94 HB ILE 94 -0.281 -6.039 1.950 665 HG12 ILE 94 1HG1 ILE 94 -0.336 -3.671 2.005 666 HG13 ILE 94 2HG1 ILE 94 1.217 -4.117 2.703 667 HG21 ILE 94 1HG2 ILE 94 2.080 -6.359 2.411 668 HG22 ILE 94 2HG2 ILE 94 1.594 -7.317 1.013 669 HG23 ILE 94 3HG2 ILE 94 2.491 -5.816 0.785 670 HD11 ILE 94 1HD1 ILE 94 1.829 -2.413 1.313 671 HD12 ILE 94 2HD1 ILE 94 2.060 -3.801 0.248 672 HD13 ILE 94 3HD1 ILE 94 0.608 -2.811 0.104 673 H ARG 95 H ARG 95 1.734 -6.700 -1.427 674 HA ARG 95 HA ARG 95 0.404 -9.319 -1.422 675 HB2 ARG 95 1HB ARG 95 -0.089 -8.408 -3.587 676 HB3 ARG 95 2HB ARG 95 1.580 -7.901 -3.813 677 HG2 ARG 95 1HG ARG 95 2.297 -10.211 -3.932 678 HG3 ARG 95 2HG ARG 95 0.648 -10.757 -3.620 679 HD2 ARG 95 1HD ARG 95 -0.114 -9.813 -5.694 680 HD3 ARG 95 2HD ARG 95 1.457 -9.066 -5.979 681 HE ARG 95 HE ARG 95 2.106 -11.657 -5.836 682 HH11 ARG 95 2HH1 ARG 95 -0.414 -10.002 -7.577 683 HH12 ARG 95 1HH1 ARG 95 -0.445 -11.145 -8.878 684 HH21 ARG 95 2HH2 ARG 95 2.075 -13.168 -7.544 685 HH22 ARG 95 1HH2 ARG 95 0.970 -12.946 -8.858 686 H ARG 96 H ARG 96 1.704 -10.812 -0.604 687 HA ARG 96 HA ARG 96 4.466 -10.291 -0.101 688 HB2 ARG 96 1HB ARG 96 3.235 -11.612 1.485 689 HB3 ARG 96 2HB ARG 96 2.774 -12.768 0.242 690 HG2 ARG 96 1HG ARG 96 4.898 -13.704 0.146 691 HG3 ARG 96 2HG ARG 96 5.652 -12.303 0.910 692 HD2 ARG 96 1HD ARG 96 4.970 -12.922 3.024 693 HD3 ARG 96 2HD ARG 96 3.618 -13.880 2.420 694 HE ARG 96 HE ARG 96 6.128 -14.982 1.644 695 HH11 ARG 96 2HH1 ARG 96 3.892 -14.716 4.299 696 HH12 ARG 96 1HH1 ARG 96 4.402 -16.194 5.047 697 HH21 ARG 96 2HH2 ARG 96 6.808 -16.929 2.619 698 HH22 ARG 96 1HH2 ARG 96 6.061 -17.451 4.090 699 HA PRO 97 HA PRO 97 6.027 -11.735 -3.991 700 HB2 PRO 97 1HB PRO 97 8.652 -11.743 -3.299 701 HB3 PRO 97 2HB PRO 97 7.758 -10.261 -3.658 702 HG2 PRO 97 1HG PRO 97 8.444 -11.464 -1.004 703 HG3 PRO 97 2HG PRO 97 8.518 -9.768 -1.516 704 HD2 PRO 97 1HD PRO 97 6.476 -10.757 -0.036 705 HD3 PRO 97 2HD PRO 97 6.254 -9.449 -1.217 706 H LEU 98 H LEU 98 8.013 -13.366 -4.494 707 HA LEU 98 HA LEU 98 7.075 -15.917 -3.640 708 HB2 LEU 98 1HB LEU 98 9.570 -15.198 -5.170 709 HB3 LEU 98 2HB LEU 98 8.885 -16.814 -5.015 710 HG LEU 98 HG LEU 98 7.231 -14.643 -6.223 711 HD11 LEU 98 1HD1 LEU 98 9.774 -15.284 -7.208 712 HD12 LEU 98 2HD1 LEU 98 8.495 -14.387 -8.026 713 HD13 LEU 98 3HD1 LEU 98 8.623 -16.133 -8.241 714 HD21 LEU 98 1HD2 LEU 98 5.910 -16.462 -6.224 715 HD22 LEU 98 2HD2 LEU 98 7.268 -17.579 -6.075 716 HD23 LEU 98 3HD2 LEU 98 6.844 -16.909 -7.652 717 H SER 99 H SER 99 7.853 -17.285 -2.133 718 HA SER 99 HA SER 99 9.542 -16.281 -0.088 719 HB2 SER 99 1HB SER 99 7.674 -18.157 -0.059 720 HB3 SER 99 2HB SER 99 9.049 -19.217 -0.368 721 HG SER 99 HG SER 99 9.037 -17.317 1.728 722 H GLY 100 H GLY 100 11.609 -17.009 0.567 723 HA2 GLY 100 1HA GLY 100 13.462 -18.612 0.035 724 HA3 GLY 100 2HA GLY 100 13.196 -18.165 -1.643 725 HA PRO 101 HA PRO 101 15.225 -14.410 0.698 726 HB2 PRO 101 1HB PRO 101 16.622 -15.110 2.919 727 HB3 PRO 101 2HB PRO 101 14.925 -14.616 2.967 728 HG2 PRO 101 1HG PRO 101 16.099 -17.370 3.003 729 HG3 PRO 101 2HG PRO 101 14.768 -16.708 3.970 730 HD2 PRO 101 1HD PRO 101 14.353 -18.262 1.792 731 HD3 PRO 101 2HD PRO 101 13.235 -16.968 2.268 732 H SER 102 H SER 102 16.379 -17.474 -0.091 733 HA SER 102 HA SER 102 19.122 -17.333 0.151 734 HB2 SER 102 1HB SER 102 17.481 -18.534 -2.091 735 HB3 SER 102 2HB SER 102 19.204 -18.829 -1.854 736 HG SER 102 HG SER 102 17.173 -19.393 0.049 737 H SER 103 H SER 103 20.458 -15.771 -0.445 738 HA SER 103 HA SER 103 19.826 -14.153 -2.803 739 HB2 SER 103 1HB SER 103 20.270 -12.864 -0.809 740 HB3 SER 103 2HB SER 103 21.786 -13.723 -0.537 741 HG SER 103 HG SER 103 22.707 -12.657 -2.185 742 H GLY 104 H GLY 104 20.982 -14.239 -4.633 743 HA2 GLY 104 1HA GLY 104 22.571 -14.881 -6.160 744 HA3 GLY 104 2HA GLY 104 23.707 -14.918 -4.819 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -14.679 -0.793 3.590 2 HA2 GLY 1 1HA GLY 1 -13.750 0.066 1.001 3 HA3 GLY 1 2HA GLY 1 -14.421 -1.508 1.402 4 H SER 2 H SER 2 -14.916 1.180 -0.403 5 HA SER 2 HA SER 2 -17.804 1.293 -0.146 6 HB2 SER 2 1HB SER 2 -16.301 3.308 -0.612 7 HB3 SER 2 2HB SER 2 -16.136 2.674 -2.250 8 HG SER 2 HG SER 2 -17.928 4.264 -1.664 9 H SER 3 H SER 3 -19.262 0.829 -1.850 10 HA SER 3 HA SER 3 -19.039 -1.595 -3.072 11 HB2 SER 3 1HB SER 3 -20.539 0.769 -4.223 12 HB3 SER 3 2HB SER 3 -20.871 -0.934 -4.534 13 HG SER 3 HG SER 3 -21.270 -1.114 -2.231 14 H GLY 4 H GLY 4 -17.495 -2.313 -4.384 15 HA2 GLY 4 1HA GLY 4 -17.110 -1.647 -6.984 16 HA3 GLY 4 2HA GLY 4 -16.049 -0.532 -6.135 17 H SER 5 H SER 5 -16.773 -3.962 -6.601 18 HA SER 5 HA SER 5 -14.562 -5.022 -5.261 19 HB2 SER 5 1HB SER 5 -16.420 -6.427 -5.978 20 HB3 SER 5 2HB SER 5 -16.041 -6.108 -7.670 21 HG SER 5 HG SER 5 -14.920 -7.893 -5.941 22 H SER 6 H SER 6 -12.460 -5.216 -5.737 23 HA SER 6 HA SER 6 -11.229 -3.661 -7.679 24 HB2 SER 6 1HB SER 6 -10.221 -4.793 -5.583 25 HB3 SER 6 2HB SER 6 -9.965 -6.186 -6.633 26 HG SER 6 HG SER 6 -8.846 -3.604 -6.806 27 H GLY 7 H GLY 7 -12.124 -7.085 -7.769 28 HA2 GLY 7 1HA GLY 7 -12.903 -7.988 -9.895 29 HA3 GLY 7 2HA GLY 7 -11.671 -7.017 -10.686 30 H GLN 8 H GLN 8 -9.793 -7.960 -11.169 31 HA GLN 8 HA GLN 8 -9.288 -10.595 -11.201 32 HB2 GLN 8 1HB GLN 8 -7.823 -8.870 -12.205 33 HB3 GLN 8 2HB GLN 8 -7.185 -8.505 -10.607 34 HG2 GLN 8 1HG GLN 8 -5.955 -10.423 -10.503 35 HG3 GLN 8 2HG GLN 8 -7.038 -11.308 -11.576 36 HE21 GLN 8 1HE2 GLN 8 -4.103 -10.942 -11.598 37 HE22 GLN 8 2HE2 GLN 8 -3.731 -10.329 -13.170 38 H ALA 9 H ALA 9 -9.841 -11.867 -9.501 39 HA ALA 9 HA ALA 9 -9.016 -11.253 -6.810 40 HB1 ALA 9 1HB ALA 9 -10.331 -13.721 -7.939 41 HB2 ALA 9 2HB ALA 9 -10.107 -13.368 -6.225 42 HB3 ALA 9 3HB ALA 9 -11.153 -12.343 -7.207 43 H SER 10 H SER 10 -7.241 -11.933 -5.785 44 HA SER 10 HA SER 10 -5.900 -14.358 -6.282 45 HB2 SER 10 1HB SER 10 -4.965 -11.972 -7.796 46 HB3 SER 10 2HB SER 10 -3.732 -13.011 -7.084 47 HG SER 10 HG SER 10 -4.074 -14.321 -8.675 48 H GLY 11 H GLY 11 -3.429 -14.011 -5.402 49 HA2 GLY 11 1HA GLY 11 -3.441 -13.848 -2.737 50 HA3 GLY 11 2HA GLY 11 -2.071 -13.259 -3.667 51 H HIS 12 H HIS 12 -3.041 -10.983 -4.810 52 HA HIS 12 HA HIS 12 -2.586 -8.974 -3.119 53 HB2 HIS 12 1HB HIS 12 -4.952 -8.619 -4.919 54 HB3 HIS 12 2HB HIS 12 -3.614 -7.518 -4.607 55 HD1 HIS 12 1HD HIS 12 -4.404 -10.680 -6.519 56 HD2 HIS 12 2HD HIS 12 -1.538 -7.675 -6.392 57 HE1 HIS 12 1HE HIS 12 -2.947 -11.055 -8.534 58 HE2 HIS 12 2HE HIS 12 -1.169 -9.277 -8.389 59 H PHE 13 H PHE 13 -3.341 -8.314 -1.228 60 HA PHE 13 HA PHE 13 -6.187 -8.747 -0.613 61 HB2 PHE 13 1HB PHE 13 -5.615 -9.307 1.684 62 HB3 PHE 13 2HB PHE 13 -4.781 -10.398 0.583 63 HD1 PHE 13 2HD PHE 13 -4.376 -7.539 2.857 64 HD2 PHE 13 1HD PHE 13 -2.406 -10.434 0.438 65 HE1 PHE 13 2HE PHE 13 -2.232 -6.959 3.915 66 HE2 PHE 13 1HE PHE 13 -0.258 -9.859 1.493 67 HZ PHE 13 HZ PHE 13 -0.169 -8.119 3.233 68 H SER 14 H SER 14 -6.957 -7.345 1.201 69 HA SER 14 HA SER 14 -5.777 -4.670 0.914 70 HB2 SER 14 1HB SER 14 -7.975 -3.815 1.617 71 HB3 SER 14 2HB SER 14 -8.124 -4.874 0.215 72 HG SER 14 HG SER 14 -9.369 -5.091 2.516 73 H VAL 15 H VAL 15 -5.790 -3.255 2.803 74 HA VAL 15 HA VAL 15 -5.433 -4.761 5.314 75 HB VAL 15 HB VAL 15 -3.940 -2.290 4.421 76 HG11 VAL 15 1HG1 VAL 15 -3.045 -2.095 6.482 77 HG12 VAL 15 2HG1 VAL 15 -4.521 -2.926 6.977 78 HG13 VAL 15 3HG1 VAL 15 -3.027 -3.837 6.755 79 HG21 VAL 15 1HG2 VAL 15 -2.552 -4.835 5.016 80 HG22 VAL 15 2HG2 VAL 15 -3.471 -4.760 3.513 81 HG23 VAL 15 3HG2 VAL 15 -2.183 -3.594 3.818 82 H GLU 16 H GLU 16 -6.517 -4.080 7.066 83 HA GLU 16 HA GLU 16 -7.949 -1.511 6.875 84 HB2 GLU 16 1HB GLU 16 -9.243 -3.808 6.808 85 HB3 GLU 16 2HB GLU 16 -9.001 -3.753 8.548 86 HG2 GLU 16 1HG GLU 16 -10.084 -1.523 8.574 87 HG3 GLU 16 2HG GLU 16 -10.430 -1.716 6.857 88 H LEU 17 H LEU 17 -7.520 -0.083 8.423 89 HA LEU 17 HA LEU 17 -6.818 -0.943 11.099 90 HB2 LEU 17 1HB LEU 17 -4.925 0.646 9.377 91 HB3 LEU 17 2HB LEU 17 -4.771 0.479 11.125 92 HG LEU 17 HG LEU 17 -4.712 -1.865 9.234 93 HD11 LEU 17 1HD1 LEU 17 -2.244 -0.779 10.486 94 HD12 LEU 17 2HD1 LEU 17 -2.866 0.001 9.033 95 HD13 LEU 17 3HD1 LEU 17 -2.445 -1.712 9.003 96 HD21 LEU 17 1HD2 LEU 17 -5.199 -1.974 11.818 97 HD22 LEU 17 2HD2 LEU 17 -3.448 -1.787 11.928 98 HD23 LEU 17 3HD2 LEU 17 -4.136 -3.147 11.040 99 H VAL 18 H VAL 18 -6.398 1.065 12.512 100 HA VAL 18 HA VAL 18 -8.144 3.268 11.622 101 HB VAL 18 HB VAL 18 -7.987 2.133 14.419 102 HG11 VAL 18 1HG1 VAL 18 -9.800 4.272 13.311 103 HG12 VAL 18 2HG1 VAL 18 -9.743 3.689 14.975 104 HG13 VAL 18 3HG1 VAL 18 -8.375 4.576 14.303 105 HG21 VAL 18 1HG2 VAL 18 -10.124 1.926 12.303 106 HG22 VAL 18 2HG2 VAL 18 -9.187 0.608 13.007 107 HG23 VAL 18 3HG2 VAL 18 -10.356 1.485 13.995 108 H ARG 19 H ARG 19 -7.068 5.114 11.501 109 HA ARG 19 HA ARG 19 -4.496 5.647 12.122 110 HB2 ARG 19 1HB ARG 19 -6.109 7.173 10.938 111 HB3 ARG 19 2HB ARG 19 -6.699 7.674 12.517 112 HG2 ARG 19 1HG ARG 19 -4.494 8.525 13.090 113 HG3 ARG 19 2HG ARG 19 -3.873 7.990 11.527 114 HD2 ARG 19 1HD ARG 19 -5.539 9.476 10.429 115 HD3 ARG 19 2HD ARG 19 -5.986 10.082 12.024 116 HE ARG 19 HE ARG 19 -3.203 10.338 11.646 117 HH11 ARG 19 2HH1 ARG 19 -6.225 11.709 10.594 118 HH12 ARG 19 1HH1 ARG 19 -5.551 13.270 10.263 119 HH21 ARG 19 2HH2 ARG 19 -2.304 12.389 11.214 120 HH22 ARG 19 1HH2 ARG 19 -3.320 13.656 10.616 121 H GLY 20 H GLY 20 -3.311 5.644 13.911 122 HA2 GLY 20 1HA GLY 20 -4.450 6.637 16.409 123 HA3 GLY 20 2HA GLY 20 -3.906 4.966 16.401 124 H TYR 21 H TYR 21 -2.883 7.043 18.062 125 HA TYR 21 HA TYR 21 -0.916 7.919 18.795 126 HB2 TYR 21 1HB TYR 21 -0.379 5.385 18.242 127 HB3 TYR 21 2HB TYR 21 0.639 6.108 17.002 128 HD1 TYR 21 2HD TYR 21 1.570 8.542 18.446 129 HD2 TYR 21 1HD TYR 21 1.178 4.514 19.759 130 HE1 TYR 21 2HE TYR 21 3.338 8.920 20.114 131 HE2 TYR 21 1HE TYR 21 2.944 4.881 21.431 132 HH TYR 21 HH TYR 21 5.000 6.591 21.592 133 H ALA 22 H ALA 22 -1.992 9.497 16.939 134 HA ALA 22 HA ALA 22 -1.584 11.125 15.397 135 HB1 ALA 22 1HB ALA 22 -0.068 12.199 16.699 136 HB2 ALA 22 2HB ALA 22 0.971 10.782 16.853 137 HB3 ALA 22 3HB ALA 22 1.006 11.745 15.376 138 H GLY 23 H GLY 23 -1.960 8.843 14.107 139 HA2 GLY 23 1HA GLY 23 -1.559 8.611 11.700 140 HA3 GLY 23 2HA GLY 23 0.150 8.844 12.039 141 H PHE 24 H PHE 24 -1.566 6.611 10.823 142 HA PHE 24 HA PHE 24 -1.693 4.341 12.317 143 HB2 PHE 24 1HB PHE 24 -0.749 4.603 9.456 144 HB3 PHE 24 2HB PHE 24 -1.202 3.080 10.214 145 HD1 PHE 24 1HD PHE 24 -3.554 2.738 10.964 146 HD2 PHE 24 2HD PHE 24 -2.374 6.084 8.612 147 HE1 PHE 24 1HE PHE 24 -5.903 3.127 10.344 148 HE2 PHE 24 2HE PHE 24 -4.721 6.478 7.989 149 HZ PHE 24 HZ PHE 24 -6.489 4.999 8.855 150 H GLY 25 H GLY 25 1.168 5.999 11.279 151 HA2 GLY 25 1HA GLY 25 3.337 5.737 12.044 152 HA3 GLY 25 2HA GLY 25 2.799 4.358 12.991 153 H LEU 26 H LEU 26 2.207 4.584 9.559 154 HA LEU 26 HA LEU 26 4.094 2.361 9.156 155 HB2 LEU 26 1HB LEU 26 1.619 2.003 8.752 156 HB3 LEU 26 2HB LEU 26 1.781 3.093 7.377 157 HG LEU 26 HG LEU 26 3.391 1.531 6.358 158 HD11 LEU 26 1HD1 LEU 26 4.355 -0.088 7.521 159 HD12 LEU 26 2HD1 LEU 26 2.785 -0.793 7.906 160 HD13 LEU 26 3HD1 LEU 26 3.477 0.446 8.954 161 HD21 LEU 26 1HD2 LEU 26 1.552 -0.451 6.344 162 HD22 LEU 26 2HD2 LEU 26 1.419 1.031 5.395 163 HD23 LEU 26 3HD2 LEU 26 0.579 0.894 6.941 164 H THR 27 H THR 27 5.719 2.561 7.734 165 HA THR 27 HA THR 27 5.764 4.964 6.027 166 HB THR 27 HB THR 27 8.148 3.670 7.366 167 HG1 THR 27 1HG THR 27 6.472 5.128 8.546 168 HG21 THR 27 1HG2 THR 27 7.869 6.073 5.567 169 HG22 THR 27 2HG2 THR 27 8.850 4.631 5.304 170 HG23 THR 27 3HG2 THR 27 9.288 5.776 6.571 171 H LEU 28 H LEU 28 7.125 4.772 4.093 172 HA LEU 28 HA LEU 28 7.299 1.997 3.121 173 HB2 LEU 28 1HB LEU 28 6.110 4.420 1.883 174 HB3 LEU 28 2HB LEU 28 6.940 3.280 0.826 175 HG LEU 28 HG LEU 28 4.679 2.506 2.662 176 HD11 LEU 28 1HD1 LEU 28 3.155 2.782 0.935 177 HD12 LEU 28 2HD1 LEU 28 4.414 2.886 -0.295 178 HD13 LEU 28 3HD1 LEU 28 4.157 4.229 0.819 179 HD21 LEU 28 1HD2 LEU 28 4.610 0.487 1.401 180 HD22 LEU 28 2HD2 LEU 28 6.285 0.743 1.892 181 HD23 LEU 28 3HD2 LEU 28 5.786 1.101 0.238 182 H GLY 29 H GLY 29 9.337 1.438 2.759 183 HA2 GLY 29 1HA GLY 29 11.357 3.492 2.330 184 HA3 GLY 29 2HA GLY 29 11.651 1.784 2.620 185 H GLY 30 H GLY 30 12.005 4.116 0.386 186 HA2 GLY 30 1HA GLY 30 12.987 3.596 -1.738 187 HA3 GLY 30 2HA GLY 30 12.005 2.140 -1.794 188 H GLY 31 H GLY 31 10.934 2.442 -3.685 189 HA2 GLY 31 1HA GLY 31 8.883 3.173 -4.650 190 HA3 GLY 31 2HA GLY 31 9.009 4.659 -3.720 191 H ARG 32 H ARG 32 8.387 5.302 -6.074 192 HA ARG 32 HA ARG 32 10.433 5.324 -8.041 193 HB2 ARG 32 1HB ARG 32 7.869 5.666 -8.300 194 HB3 ARG 32 2HB ARG 32 8.220 7.350 -7.937 195 HG2 ARG 32 1HG ARG 32 9.742 5.955 -10.090 196 HG3 ARG 32 2HG ARG 32 8.108 6.543 -10.402 197 HD2 ARG 32 1HD ARG 32 8.719 8.776 -9.980 198 HD3 ARG 32 2HD ARG 32 10.234 8.300 -9.215 199 HE ARG 32 HE ARG 32 9.996 7.562 -11.996 200 HH11 ARG 32 2HH1 ARG 32 11.034 9.978 -9.715 201 HH12 ARG 32 1HH1 ARG 32 12.157 10.716 -10.809 202 HH21 ARG 32 2HH2 ARG 32 11.471 8.524 -13.445 203 HH22 ARG 32 1HH2 ARG 32 12.404 9.889 -12.931 204 H ASP 33 H ASP 33 12.321 6.297 -7.658 205 HA ASP 33 HA ASP 33 12.262 9.055 -6.620 206 HB2 ASP 33 1HB ASP 33 14.676 7.333 -6.241 207 HB3 ASP 33 2HB ASP 33 14.103 8.685 -5.270 208 H VAL 34 H VAL 34 13.773 10.519 -7.488 209 HA VAL 34 HA VAL 34 14.232 10.313 -10.238 210 HB VAL 34 HB VAL 34 14.128 12.460 -9.020 211 HG11 VAL 34 1HG1 VAL 34 16.960 11.960 -8.150 212 HG12 VAL 34 2HG1 VAL 34 15.868 13.254 -7.653 213 HG13 VAL 34 3HG1 VAL 34 15.579 11.599 -7.114 214 HG21 VAL 34 1HG2 VAL 34 15.189 13.401 -10.737 215 HG22 VAL 34 2HG2 VAL 34 16.754 12.808 -10.180 216 HG23 VAL 34 3HG2 VAL 34 15.732 11.785 -11.189 217 H ALA 35 H ALA 35 16.223 9.434 -7.499 218 HA ALA 35 HA ALA 35 18.521 8.886 -9.210 219 HB1 ALA 35 1HB ALA 35 19.794 8.664 -7.261 220 HB2 ALA 35 2HB ALA 35 18.661 9.965 -6.895 221 HB3 ALA 35 3HB ALA 35 18.376 8.344 -6.263 222 H GLY 36 H GLY 36 15.979 7.332 -9.356 223 HA2 GLY 36 1HA GLY 36 16.500 4.944 -10.170 224 HA3 GLY 36 2HA GLY 36 16.937 4.687 -8.488 225 H ASP 37 H ASP 37 14.852 3.408 -10.113 226 HA ASP 37 HA ASP 37 12.473 4.240 -8.588 227 HB2 ASP 37 1HB ASP 37 11.097 3.486 -10.355 228 HB3 ASP 37 2HB ASP 37 12.413 4.353 -11.141 229 H THR 38 H THR 38 12.072 2.959 -6.921 230 HA THR 38 HA THR 38 12.578 0.069 -7.215 231 HB THR 38 HB THR 38 13.243 -0.112 -4.954 232 HG1 THR 38 1HG THR 38 12.883 1.448 -3.448 233 HG21 THR 38 1HG2 THR 38 14.507 2.511 -5.669 234 HG22 THR 38 2HG2 THR 38 14.834 1.065 -6.625 235 HG23 THR 38 3HG2 THR 38 15.233 1.096 -4.908 236 HA PRO 39 HA PRO 39 8.350 -0.633 -6.245 237 HB2 PRO 39 1HB PRO 39 8.515 -3.054 -5.028 238 HB3 PRO 39 2HB PRO 39 8.731 -2.837 -6.769 239 HG2 PRO 39 1HG PRO 39 10.800 -3.126 -4.625 240 HG3 PRO 39 2HG PRO 39 10.747 -3.866 -6.235 241 HD2 PRO 39 1HD PRO 39 12.268 -1.696 -5.678 242 HD3 PRO 39 2HD PRO 39 11.535 -1.965 -7.273 243 H LEU 40 H LEU 40 7.391 0.580 -4.729 244 HA LEU 40 HA LEU 40 8.271 1.200 -2.207 245 HB2 LEU 40 1HB LEU 40 5.595 1.123 -3.495 246 HB3 LEU 40 2HB LEU 40 5.663 1.342 -1.748 247 HG LEU 40 HG LEU 40 7.146 3.126 -3.664 248 HD11 LEU 40 1HD1 LEU 40 4.452 3.685 -2.446 249 HD12 LEU 40 2HD1 LEU 40 4.677 3.112 -4.098 250 HD13 LEU 40 3HD1 LEU 40 5.342 4.669 -3.608 251 HD21 LEU 40 1HD2 LEU 40 6.165 3.841 -0.933 252 HD22 LEU 40 2HD2 LEU 40 7.512 4.512 -1.853 253 HD23 LEU 40 3HD2 LEU 40 7.652 2.913 -1.122 254 H ALA 41 H ALA 41 8.256 0.276 -0.233 255 HA ALA 41 HA ALA 41 6.593 -2.005 0.362 256 HB1 ALA 41 1HB ALA 41 8.188 -3.657 0.549 257 HB2 ALA 41 2HB ALA 41 8.741 -2.791 -0.885 258 HB3 ALA 41 3HB ALA 41 9.520 -2.506 0.671 259 H VAL 42 H VAL 42 6.295 -2.297 2.536 260 HA VAL 42 HA VAL 42 6.493 -0.288 4.318 261 HB VAL 42 HB VAL 42 6.796 -3.226 4.947 262 HG11 VAL 42 1HG1 VAL 42 5.585 -1.943 7.101 263 HG12 VAL 42 2HG1 VAL 42 7.219 -2.606 7.042 264 HG13 VAL 42 3HG1 VAL 42 6.941 -0.906 6.660 265 HG21 VAL 42 1HG2 VAL 42 4.707 -3.170 4.074 266 HG22 VAL 42 2HG2 VAL 42 4.298 -2.594 5.690 267 HG23 VAL 42 3HG2 VAL 42 4.510 -1.443 4.371 268 H ARG 43 H ARG 43 8.020 0.751 5.437 269 HA ARG 43 HA ARG 43 10.767 -0.271 5.283 270 HB2 ARG 43 1HB ARG 43 10.743 1.889 4.394 271 HB3 ARG 43 2HB ARG 43 9.593 2.472 5.591 272 HG2 ARG 43 1HG ARG 43 11.939 3.317 5.839 273 HG3 ARG 43 2HG ARG 43 11.252 2.558 7.277 274 HD2 ARG 43 1HD ARG 43 13.397 1.661 7.157 275 HD3 ARG 43 2HD ARG 43 12.385 0.413 6.432 276 HE ARG 43 HE ARG 43 13.226 1.996 4.345 277 HH11 ARG 43 2HH1 ARG 43 14.734 0.057 6.811 278 HH12 ARG 43 1HH1 ARG 43 16.118 -0.331 5.843 279 HH21 ARG 43 2HH2 ARG 43 15.042 1.492 3.060 280 HH22 ARG 43 1HH2 ARG 43 16.293 0.486 3.710 281 H GLY 44 H GLY 44 9.031 1.786 7.625 282 HA2 GLY 44 1HA GLY 44 10.174 0.098 9.766 283 HA3 GLY 44 2HA GLY 44 9.993 1.840 9.906 284 H LEU 45 H LEU 45 8.951 -0.115 11.712 285 HA LEU 45 HA LEU 45 6.061 0.313 11.324 286 HB2 LEU 45 1HB LEU 45 7.579 -2.017 12.421 287 HB3 LEU 45 2HB LEU 45 5.932 -1.705 12.964 288 HG LEU 45 HG LEU 45 6.721 -2.147 10.087 289 HD11 LEU 45 1HD1 LEU 45 5.173 -4.275 10.890 290 HD12 LEU 45 2HD1 LEU 45 6.252 -4.019 12.261 291 HD13 LEU 45 3HD1 LEU 45 6.921 -4.292 10.653 292 HD21 LEU 45 1HD2 LEU 45 4.073 -1.896 11.498 293 HD22 LEU 45 2HD2 LEU 45 4.251 -2.539 9.865 294 HD23 LEU 45 3HD2 LEU 45 4.717 -0.873 10.213 295 H LEU 46 H LEU 46 5.628 2.063 12.538 296 HA LEU 46 HA LEU 46 6.867 3.100 14.701 297 HB2 LEU 46 1HB LEU 46 4.659 3.765 13.436 298 HB3 LEU 46 2HB LEU 46 3.892 2.966 14.807 299 HG LEU 46 HG LEU 46 5.222 4.543 16.287 300 HD11 LEU 46 1HD1 LEU 46 6.554 5.160 14.001 301 HD12 LEU 46 2HD1 LEU 46 6.504 6.175 15.443 302 HD13 LEU 46 3HD1 LEU 46 5.400 6.490 14.104 303 HD21 LEU 46 1HD2 LEU 46 3.607 6.312 16.062 304 HD22 LEU 46 2HD2 LEU 46 2.806 4.766 15.781 305 HD23 LEU 46 3HD2 LEU 46 3.221 5.804 14.417 306 H LYS 47 H LYS 47 7.423 2.375 16.636 307 HA LYS 47 HA LYS 47 6.846 -0.110 17.671 308 HB2 LYS 47 1HB LYS 47 8.604 1.618 18.417 309 HB3 LYS 47 2HB LYS 47 7.337 2.268 19.450 310 HG2 LYS 47 1HG LYS 47 7.930 -0.643 19.584 311 HG3 LYS 47 2HG LYS 47 9.046 0.493 20.345 312 HD2 LYS 47 1HD LYS 47 7.503 1.174 21.905 313 HD3 LYS 47 2HD LYS 47 6.127 0.782 20.871 314 HE2 LYS 47 1HE LYS 47 6.191 -1.463 21.417 315 HE3 LYS 47 2HE LYS 47 7.891 -1.407 21.881 316 HZ1 LYS 47 1HZ LYS 47 5.812 0.017 23.428 317 HZ2 LYS 47 2HZ LYS 47 7.374 -0.414 23.913 318 HZ3 LYS 47 3HZ LYS 47 6.187 -1.605 23.730 319 H ASP 48 H ASP 48 5.393 -0.934 19.156 320 HA ASP 48 HA ASP 48 3.218 -1.242 19.849 321 HB2 ASP 48 1HB ASP 48 2.744 -0.003 21.800 322 HB3 ASP 48 2HB ASP 48 4.502 -0.034 21.706 323 H GLY 49 H GLY 49 3.122 -0.234 17.306 324 HA2 GLY 49 1HA GLY 49 1.086 1.893 17.411 325 HA3 GLY 49 2HA GLY 49 2.052 1.485 16.001 326 HA PRO 50 HA PRO 50 -2.194 -0.537 15.807 327 HB2 PRO 50 1HB PRO 50 -3.031 0.725 13.553 328 HB3 PRO 50 2HB PRO 50 -3.299 1.376 15.174 329 HG2 PRO 50 1HG PRO 50 -1.191 2.089 13.172 330 HG3 PRO 50 2HG PRO 50 -2.158 3.156 14.206 331 HD2 PRO 50 1HD PRO 50 0.395 2.476 14.797 332 HD3 PRO 50 2HD PRO 50 -0.825 2.786 16.049 333 H ALA 51 H ALA 51 0.003 0.383 13.162 334 HA ALA 51 HA ALA 51 -0.693 -1.821 11.500 335 HB1 ALA 51 1HB ALA 51 0.599 -0.824 9.966 336 HB2 ALA 51 2HB ALA 51 0.649 0.518 11.109 337 HB3 ALA 51 3HB ALA 51 1.960 -0.660 11.075 338 H GLN 52 H GLN 52 1.726 -1.279 13.975 339 HA GLN 52 HA GLN 52 3.167 -3.706 13.383 340 HB2 GLN 52 1HB GLN 52 4.422 -1.863 14.279 341 HB3 GLN 52 2HB GLN 52 3.345 -1.735 15.663 342 HG2 GLN 52 1HG GLN 52 5.393 -2.770 16.346 343 HG3 GLN 52 2HG GLN 52 4.093 -3.959 16.413 344 HE21 GLN 52 1HE2 GLN 52 4.021 -5.605 14.854 345 HE22 GLN 52 2HE2 GLN 52 5.420 -6.045 13.942 346 H ARG 53 H ARG 53 0.837 -2.603 15.799 347 HA ARG 53 HA ARG 53 0.902 -4.895 17.432 348 HB2 ARG 53 1HB ARG 53 -1.088 -2.697 16.988 349 HB3 ARG 53 2HB ARG 53 -1.519 -4.081 17.985 350 HG2 ARG 53 1HG ARG 53 0.150 -3.593 19.568 351 HG3 ARG 53 2HG ARG 53 0.954 -2.456 18.484 352 HD2 ARG 53 1HD ARG 53 -0.675 -0.824 18.785 353 HD3 ARG 53 2HD ARG 53 -1.869 -1.987 19.360 354 HE ARG 53 HE ARG 53 0.392 -1.782 21.098 355 HH11 ARG 53 2HH1 ARG 53 -2.645 -0.318 20.230 356 HH12 ARG 53 1HH1 ARG 53 -2.887 0.410 21.783 357 HH21 ARG 53 2HH2 ARG 53 0.085 -0.829 23.147 358 HH22 ARG 53 1HH2 ARG 53 -1.333 0.120 23.442 359 H CYS 54 H CYS 54 -1.275 -3.993 14.767 360 HA CYS 54 HA CYS 54 -2.943 -6.205 14.812 361 HB2 CYS 54 1HB CYS 54 -3.502 -5.678 12.524 362 HB3 CYS 54 2HB CYS 54 -3.270 -4.173 13.406 363 HG CYS 54 HG CYS 54 -2.244 -4.266 10.651 364 H GLY 55 H GLY 55 0.297 -5.868 13.527 365 HA2 GLY 55 1HA GLY 55 1.781 -7.410 12.699 366 HA3 GLY 55 2HA GLY 55 0.856 -8.606 13.596 367 H ARG 56 H ARG 56 -0.282 -6.586 10.928 368 HA ARG 56 HA ARG 56 -0.987 -9.031 9.478 369 HB2 ARG 56 1HB ARG 56 -1.879 -6.167 9.104 370 HB3 ARG 56 2HB ARG 56 -2.402 -7.512 8.100 371 HG2 ARG 56 1HG ARG 56 -3.312 -8.589 10.165 372 HG3 ARG 56 2HG ARG 56 -2.952 -7.091 11.025 373 HD2 ARG 56 1HD ARG 56 -4.360 -5.898 9.318 374 HD3 ARG 56 2HD ARG 56 -4.850 -7.483 8.720 375 HE ARG 56 HE ARG 56 -5.315 -7.406 11.474 376 HH11 ARG 56 2HH1 ARG 56 -6.476 -5.910 8.553 377 HH12 ARG 56 1HH1 ARG 56 -8.072 -5.640 9.170 378 HH21 ARG 56 2HH2 ARG 56 -7.413 -7.057 12.298 379 HH22 ARG 56 1HH2 ARG 56 -8.604 -6.292 11.301 380 H LEU 57 H LEU 57 0.994 -6.169 9.265 381 HA LEU 57 HA LEU 57 2.041 -7.138 6.687 382 HB2 LEU 57 1HB LEU 57 1.895 -4.287 7.654 383 HB3 LEU 57 2HB LEU 57 2.582 -4.825 6.123 384 HG LEU 57 HG LEU 57 -0.321 -4.915 6.937 385 HD11 LEU 57 1HD1 LEU 57 0.818 -3.476 4.579 386 HD12 LEU 57 2HD1 LEU 57 0.860 -2.735 6.178 387 HD13 LEU 57 3HD1 LEU 57 -0.684 -3.183 5.455 388 HD21 LEU 57 1HD2 LEU 57 0.975 -5.843 4.375 389 HD22 LEU 57 2HD2 LEU 57 -0.755 -5.803 4.716 390 HD23 LEU 57 3HD2 LEU 57 0.298 -6.892 5.621 391 H GLU 58 H GLU 58 4.295 -6.877 6.320 392 HA GLU 58 HA GLU 58 5.921 -6.222 8.668 393 HB2 GLU 58 1HB GLU 58 6.228 -8.753 7.043 394 HB3 GLU 58 2HB GLU 58 7.307 -8.227 8.327 395 HG2 GLU 58 1HG GLU 58 5.982 -9.765 9.403 396 HG3 GLU 58 2HG GLU 58 5.178 -8.246 9.794 397 H VAL 59 H VAL 59 7.979 -5.452 8.213 398 HA VAL 59 HA VAL 59 8.404 -3.882 6.041 399 HB VAL 59 HB VAL 59 10.533 -5.394 7.560 400 HG11 VAL 59 1HG1 VAL 59 12.124 -4.303 6.427 401 HG12 VAL 59 2HG1 VAL 59 10.872 -4.011 5.218 402 HG13 VAL 59 3HG1 VAL 59 11.222 -2.788 6.440 403 HG21 VAL 59 1HG2 VAL 59 9.464 -2.603 7.964 404 HG22 VAL 59 2HG2 VAL 59 9.052 -4.001 8.958 405 HG23 VAL 59 3HG2 VAL 59 10.710 -3.400 8.924 406 H GLY 60 H GLY 60 8.633 -4.213 3.933 407 HA2 GLY 60 1HA GLY 60 10.038 -5.304 2.212 408 HA3 GLY 60 2HA GLY 60 9.714 -6.817 3.045 409 H ASP 61 H ASP 61 6.870 -5.804 3.475 410 HA ASP 61 HA ASP 61 5.587 -7.228 1.506 411 HB2 ASP 61 1HB ASP 61 4.738 -5.042 3.350 412 HB3 ASP 61 2HB ASP 61 3.636 -5.516 2.061 413 H LEU 62 H LEU 62 4.873 -6.861 -0.527 414 HA LEU 62 HA LEU 62 5.867 -4.478 -1.864 415 HB2 LEU 62 1HB LEU 62 4.437 -6.844 -3.058 416 HB3 LEU 62 2HB LEU 62 5.365 -5.616 -3.917 417 HG LEU 62 HG LEU 62 6.511 -7.649 -2.003 418 HD11 LEU 62 1HD1 LEU 62 6.767 -7.523 -5.001 419 HD12 LEU 62 2HD1 LEU 62 5.639 -8.577 -4.149 420 HD13 LEU 62 3HD1 LEU 62 7.376 -8.777 -3.920 421 HD21 LEU 62 1HD2 LEU 62 8.661 -6.851 -2.709 422 HD22 LEU 62 2HD2 LEU 62 7.720 -5.481 -2.119 423 HD23 LEU 62 3HD2 LEU 62 7.921 -5.732 -3.854 424 H VAL 63 H VAL 63 4.650 -2.767 -2.302 425 HA VAL 63 HA VAL 63 1.773 -2.914 -1.853 426 HB VAL 63 HB VAL 63 3.408 -0.462 -2.501 427 HG11 VAL 63 1HG1 VAL 63 0.649 -0.886 -2.303 428 HG12 VAL 63 2HG1 VAL 63 1.116 -0.068 -0.810 429 HG13 VAL 63 3HG1 VAL 63 1.494 0.660 -2.371 430 HG21 VAL 63 1HG2 VAL 63 4.391 -1.318 -0.533 431 HG22 VAL 63 2HG2 VAL 63 3.267 -0.068 0.001 432 HG23 VAL 63 3HG2 VAL 63 2.827 -1.770 0.145 433 H LEU 64 H LEU 64 0.406 -3.212 -3.475 434 HA LEU 64 HA LEU 64 1.308 -2.722 -6.215 435 HB2 LEU 64 1HB LEU 64 -1.147 -4.159 -5.220 436 HB3 LEU 64 2HB LEU 64 -0.602 -4.071 -6.893 437 HG LEU 64 HG LEU 64 -0.081 -6.240 -6.001 438 HD11 LEU 64 1HD1 LEU 64 1.585 -4.906 -7.452 439 HD12 LEU 64 2HD1 LEU 64 2.136 -6.383 -6.662 440 HD13 LEU 64 3HD1 LEU 64 2.548 -4.810 -5.978 441 HD21 LEU 64 1HD2 LEU 64 0.121 -5.086 -3.590 442 HD22 LEU 64 2HD2 LEU 64 1.833 -5.227 -3.990 443 HD23 LEU 64 3HD2 LEU 64 0.811 -6.665 -3.967 444 H HIS 65 H HIS 65 -1.368 -1.955 -4.023 445 HA HIS 65 HA HIS 65 -1.867 0.475 -5.568 446 HB2 HIS 65 1HB HIS 65 -4.077 -1.432 -4.772 447 HB3 HIS 65 2HB HIS 65 -4.278 0.110 -5.600 448 HD1 HIS 65 1HD HIS 65 -2.089 -0.205 -7.756 449 HD2 HIS 65 2HD HIS 65 -4.830 -3.158 -6.743 450 HE1 HIS 65 1HE HIS 65 -2.235 -1.706 -9.768 451 HE2 HIS 65 2HE HIS 65 -3.962 -3.436 -9.163 452 H ILE 66 H ILE 66 -3.755 1.721 -4.325 453 HA ILE 66 HA ILE 66 -3.682 1.383 -1.462 454 HB ILE 66 HB ILE 66 -2.410 3.825 -2.705 455 HG12 ILE 66 1HG1 ILE 66 -1.275 1.651 -0.932 456 HG13 ILE 66 2HG1 ILE 66 -0.914 1.890 -2.638 457 HG21 ILE 66 1HG2 ILE 66 -2.119 3.707 0.126 458 HG22 ILE 66 2HG2 ILE 66 -2.902 4.945 -0.856 459 HG23 ILE 66 3HG2 ILE 66 -3.830 3.562 -0.276 460 HD11 ILE 66 1HD1 ILE 66 -0.416 4.243 -0.988 461 HD12 ILE 66 2HD1 ILE 66 0.566 2.840 -0.565 462 HD13 ILE 66 3HD1 ILE 66 0.594 3.473 -2.211 463 H ASN 67 H ASN 67 -5.637 1.878 -0.740 464 HA ASN 67 HA ASN 67 -7.757 2.701 -0.633 465 HB2 ASN 67 1HB ASN 67 -6.081 5.047 -1.394 466 HB3 ASN 67 2HB ASN 67 -7.831 5.231 -1.457 467 HD21 ASN 67 1HD2 ASN 67 -5.232 5.703 0.426 468 HD22 ASN 67 2HD2 ASN 67 -5.965 5.620 1.989 469 H GLY 68 H GLY 68 -6.989 1.294 -3.053 470 HA2 GLY 68 1HA GLY 68 -8.091 0.696 -4.989 471 HA3 GLY 68 2HA GLY 68 -9.273 1.951 -4.648 472 H GLU 69 H GLU 69 -5.812 2.489 -4.947 473 HA GLU 69 HA GLU 69 -6.347 4.035 -7.398 474 HB2 GLU 69 1HB GLU 69 -4.947 5.713 -6.699 475 HB3 GLU 69 2HB GLU 69 -5.563 5.166 -5.146 476 HG2 GLU 69 1HG GLU 69 -3.573 3.887 -4.744 477 HG3 GLU 69 2HG GLU 69 -2.969 4.247 -6.360 478 H SER 70 H SER 70 -4.113 4.444 -8.573 479 HA SER 70 HA SER 70 -2.863 1.796 -8.900 480 HB2 SER 70 1HB SER 70 -3.651 3.916 -10.852 481 HB3 SER 70 2HB SER 70 -2.245 2.918 -11.223 482 HG SER 70 HG SER 70 -4.599 1.661 -10.380 483 H THR 71 H THR 71 -1.006 1.817 -7.792 484 HA THR 71 HA THR 71 0.620 4.205 -7.615 485 HB THR 71 HB THR 71 0.327 2.599 -5.697 486 HG1 THR 71 1HG THR 71 2.875 3.351 -6.684 487 HG21 THR 71 1HG2 THR 71 2.480 0.864 -6.673 488 HG22 THR 71 2HG2 THR 71 0.950 0.669 -7.529 489 HG23 THR 71 3HG2 THR 71 1.015 0.459 -5.780 490 H GLN 72 H GLN 72 0.178 2.437 -10.138 491 HA GLN 72 HA GLN 72 2.582 1.246 -10.881 492 HB2 GLN 72 1HB GLN 72 0.594 0.893 -12.188 493 HB3 GLN 72 2HB GLN 72 0.474 2.607 -12.561 494 HG2 GLN 72 1HG GLN 72 1.322 1.646 -14.502 495 HG3 GLN 72 2HG GLN 72 2.733 2.345 -13.707 496 HE21 GLN 72 1HE2 GLN 72 4.024 0.909 -14.948 497 HE22 GLN 72 2HE2 GLN 72 4.198 -0.746 -14.482 498 H GLY 73 H GLY 73 1.562 4.613 -11.027 499 HA2 GLY 73 1HA GLY 73 4.341 5.325 -11.717 500 HA3 GLY 73 2HA GLY 73 2.987 6.101 -12.526 501 H LEU 74 H LEU 74 2.938 5.264 -9.129 502 HA LEU 74 HA LEU 74 2.716 8.113 -8.492 503 HB2 LEU 74 1HB LEU 74 1.941 5.603 -7.039 504 HB3 LEU 74 2HB LEU 74 1.991 7.167 -6.228 505 HG LEU 74 HG LEU 74 0.138 6.239 -8.401 506 HD11 LEU 74 1HD1 LEU 74 -1.236 7.630 -6.450 507 HD12 LEU 74 2HD1 LEU 74 -0.013 6.734 -5.549 508 HD13 LEU 74 3HD1 LEU 74 -1.130 5.876 -6.610 509 HD21 LEU 74 1HD2 LEU 74 0.812 9.051 -7.582 510 HD22 LEU 74 2HD2 LEU 74 -0.736 8.624 -8.314 511 HD23 LEU 74 3HD2 LEU 74 0.765 8.359 -9.204 512 H THR 75 H THR 75 3.833 8.998 -6.664 513 HA THR 75 HA THR 75 6.451 7.728 -6.248 514 HB THR 75 HB THR 75 7.160 10.011 -5.454 515 HG1 THR 75 1HG THR 75 4.613 10.727 -6.522 516 HG21 THR 75 1HG2 THR 75 7.756 9.340 -7.674 517 HG22 THR 75 2HG2 THR 75 7.180 11.005 -7.758 518 HG23 THR 75 3HG2 THR 75 6.133 9.683 -8.271 519 H HIS 76 H HIS 76 7.412 8.700 -4.024 520 HA HIS 76 HA HIS 76 6.073 7.324 -1.972 521 HB2 HIS 76 1HB HIS 76 8.504 7.751 -1.970 522 HB3 HIS 76 2HB HIS 76 8.196 9.467 -1.721 523 HD1 HIS 76 1HD HIS 76 7.336 10.185 0.633 524 HD2 HIS 76 2HD HIS 76 8.302 6.158 0.298 525 HE1 HIS 76 1HE HIS 76 7.449 9.322 2.993 526 HE2 HIS 76 2HE HIS 76 8.119 6.904 2.768 527 H ALA 77 H ALA 77 6.122 10.726 -2.884 528 HA ALA 77 HA ALA 77 4.708 11.667 -0.602 529 HB1 ALA 77 1HB ALA 77 5.647 12.785 -3.151 530 HB2 ALA 77 2HB ALA 77 4.209 13.555 -2.479 531 HB3 ALA 77 3HB ALA 77 5.689 13.467 -1.524 532 H GLN 78 H GLN 78 3.728 10.739 -3.878 533 HA GLN 78 HA GLN 78 1.034 11.477 -3.695 534 HB2 GLN 78 1HB GLN 78 2.496 9.434 -5.344 535 HB3 GLN 78 2HB GLN 78 0.749 9.605 -5.456 536 HG2 GLN 78 1HG GLN 78 2.799 11.730 -6.032 537 HG3 GLN 78 2HG GLN 78 1.822 10.858 -7.211 538 HE21 GLN 78 1HE2 GLN 78 1.857 13.605 -7.119 539 HE22 GLN 78 2HE2 GLN 78 0.317 14.182 -6.590 540 H ALA 79 H ALA 79 2.363 8.174 -3.439 541 HA ALA 79 HA ALA 79 0.140 6.830 -2.616 542 HB1 ALA 79 1HB ALA 79 2.965 6.421 -1.645 543 HB2 ALA 79 2HB ALA 79 1.652 5.257 -1.462 544 HB3 ALA 79 3HB ALA 79 2.224 5.696 -3.071 545 H VAL 80 H VAL 80 2.428 8.550 -0.503 546 HA VAL 80 HA VAL 80 1.201 7.979 1.937 547 HB VAL 80 HB VAL 80 2.717 10.478 1.173 548 HG11 VAL 80 1HG1 VAL 80 3.200 10.576 3.627 549 HG12 VAL 80 2HG1 VAL 80 1.518 10.890 3.196 550 HG13 VAL 80 3HG1 VAL 80 1.983 9.321 3.856 551 HG21 VAL 80 1HG2 VAL 80 4.664 9.379 1.523 552 HG22 VAL 80 2HG2 VAL 80 3.977 8.326 2.759 553 HG23 VAL 80 3HG2 VAL 80 3.694 7.983 1.052 554 H GLU 81 H GLU 81 0.986 11.081 0.183 555 HA GLU 81 HA GLU 81 -0.948 12.335 1.600 556 HB2 GLU 81 1HB GLU 81 0.271 12.973 -0.646 557 HB3 GLU 81 2HB GLU 81 -1.213 12.379 -1.379 558 HG2 GLU 81 1HG GLU 81 -1.750 14.571 -1.163 559 HG3 GLU 81 2HG GLU 81 -2.322 13.980 0.396 560 H ARG 82 H ARG 82 -1.514 9.921 -0.939 561 HA ARG 82 HA ARG 82 -4.281 9.994 -1.022 562 HB2 ARG 82 1HB ARG 82 -2.432 7.626 -1.350 563 HB3 ARG 82 2HB ARG 82 -4.137 7.621 -1.781 564 HG2 ARG 82 1HG ARG 82 -2.211 9.602 -2.949 565 HG3 ARG 82 2HG ARG 82 -2.455 8.000 -3.648 566 HD2 ARG 82 1HD ARG 82 -3.916 9.387 -4.839 567 HD3 ARG 82 2HD ARG 82 -4.942 8.575 -3.657 568 HE ARG 82 HE ARG 82 -5.409 10.614 -2.752 569 HH11 ARG 82 2HH1 ARG 82 -2.460 10.864 -4.585 570 HH12 ARG 82 1HH1 ARG 82 -2.320 12.577 -4.373 571 HH21 ARG 82 2HH2 ARG 82 -5.235 12.870 -2.465 572 HH22 ARG 82 1HH2 ARG 82 -3.898 13.717 -3.166 573 H ILE 83 H ILE 83 -2.262 7.793 0.930 574 HA ILE 83 HA ILE 83 -4.234 6.480 2.319 575 HB ILE 83 HB ILE 83 -1.571 7.378 3.428 576 HG12 ILE 83 1HG1 ILE 83 -2.383 4.836 2.000 577 HG13 ILE 83 2HG1 ILE 83 -1.333 6.094 1.360 578 HG21 ILE 83 1HG2 ILE 83 -2.019 6.265 5.303 579 HG22 ILE 83 2HG2 ILE 83 -3.698 6.210 4.768 580 HG23 ILE 83 3HG2 ILE 83 -2.615 4.865 4.412 581 HD11 ILE 83 1HD1 ILE 83 -0.056 4.179 2.126 582 HD12 ILE 83 2HD1 ILE 83 0.308 5.606 3.097 583 HD13 ILE 83 3HD1 ILE 83 -0.747 4.347 3.739 584 H ARG 84 H ARG 84 -2.572 9.457 3.370 585 HA ARG 84 HA ARG 84 -4.033 9.891 5.697 586 HB2 ARG 84 1HB ARG 84 -2.698 11.835 3.813 587 HB3 ARG 84 2HB ARG 84 -3.406 12.321 5.348 588 HG2 ARG 84 1HG ARG 84 -1.864 10.931 6.560 589 HG3 ARG 84 2HG ARG 84 -1.221 10.272 5.054 590 HD2 ARG 84 1HD ARG 84 0.267 11.973 5.955 591 HD3 ARG 84 2HD ARG 84 -0.428 12.500 4.422 592 HE ARG 84 HE ARG 84 -1.969 13.425 6.621 593 HH11 ARG 84 2HH1 ARG 84 0.978 14.007 4.862 594 HH12 ARG 84 1HH1 ARG 84 1.040 15.691 5.266 595 HH21 ARG 84 2HH2 ARG 84 -1.899 15.640 7.159 596 HH22 ARG 84 1HH2 ARG 84 -0.596 16.618 6.573 597 H ALA 85 H ALA 85 -4.605 11.225 2.443 598 HA ALA 85 HA ALA 85 -6.953 12.628 3.085 599 HB1 ALA 85 1HB ALA 85 -5.465 12.763 0.981 600 HB2 ALA 85 2HB ALA 85 -6.483 11.459 0.370 601 HB3 ALA 85 3HB ALA 85 -7.203 13.007 0.809 602 H GLY 86 H GLY 86 -6.368 9.268 2.440 603 HA2 GLY 86 1HA GLY 86 -8.782 8.322 1.547 604 HA3 GLY 86 2HA GLY 86 -7.755 7.447 2.673 605 H GLY 87 H GLY 87 -7.930 9.132 4.896 606 HA2 GLY 87 1HA GLY 87 -9.916 10.207 6.063 607 HA3 GLY 87 2HA GLY 87 -10.765 8.735 5.616 608 HA PRO 88 HA PRO 88 -9.176 8.090 9.886 609 HB2 PRO 88 1HB PRO 88 -11.389 6.771 10.742 610 HB3 PRO 88 2HB PRO 88 -11.258 8.534 10.750 611 HG2 PRO 88 1HG PRO 88 -12.607 6.744 8.765 612 HG3 PRO 88 2HG PRO 88 -13.173 8.276 9.456 613 HD2 PRO 88 1HD PRO 88 -12.073 8.109 6.987 614 HD3 PRO 88 2HD PRO 88 -11.891 9.543 8.019 615 H GLN 89 H GLN 89 -10.597 5.959 7.496 616 HA GLN 89 HA GLN 89 -9.334 3.632 8.756 617 HB2 GLN 89 1HB GLN 89 -11.478 3.942 6.673 618 HB3 GLN 89 2HB GLN 89 -10.637 2.412 6.887 619 HG2 GLN 89 1HG GLN 89 -11.838 3.735 9.265 620 HG3 GLN 89 2HG GLN 89 -12.892 2.906 8.120 621 HE21 GLN 89 1HE2 GLN 89 -13.095 1.803 10.388 622 HE22 GLN 89 2HE2 GLN 89 -12.140 0.375 10.574 623 H LEU 90 H LEU 90 -7.650 2.578 7.860 624 HA LEU 90 HA LEU 90 -6.433 3.790 5.494 625 HB2 LEU 90 1HB LEU 90 -4.774 3.657 7.043 626 HB3 LEU 90 2HB LEU 90 -5.457 2.226 7.812 627 HG LEU 90 HG LEU 90 -4.192 2.008 5.110 628 HD11 LEU 90 1HD1 LEU 90 -2.846 2.701 7.608 629 HD12 LEU 90 2HD1 LEU 90 -2.267 2.778 5.944 630 HD13 LEU 90 3HD1 LEU 90 -2.207 1.253 6.828 631 HD21 LEU 90 1HD2 LEU 90 -5.430 0.239 6.867 632 HD22 LEU 90 2HD2 LEU 90 -3.705 -0.085 7.038 633 HD23 LEU 90 3HD2 LEU 90 -4.466 -0.172 5.449 634 H HIS 91 H HIS 91 -6.138 2.740 3.601 635 HA HIS 91 HA HIS 91 -6.827 -0.110 3.461 636 HB2 HIS 91 1HB HIS 91 -8.718 1.518 2.742 637 HB3 HIS 91 2HB HIS 91 -7.728 1.786 1.310 638 HD1 HIS 91 1HD HIS 91 -7.901 0.091 -0.523 639 HD2 HIS 91 2HD HIS 91 -9.594 -1.236 3.032 640 HE1 HIS 91 1HE HIS 91 -9.055 -2.070 -1.093 641 HE2 HIS 91 2HE HIS 91 -10.143 -2.810 1.054 642 H LEU 92 H LEU 92 -4.938 -1.001 2.907 643 HA LEU 92 HA LEU 92 -3.541 0.103 0.563 644 HB2 LEU 92 1HB LEU 92 -2.161 -1.221 2.885 645 HB3 LEU 92 2HB LEU 92 -1.421 -0.371 1.530 646 HG LEU 92 HG LEU 92 -3.097 0.943 3.668 647 HD11 LEU 92 1HD1 LEU 92 -0.974 -0.006 4.528 648 HD12 LEU 92 2HD1 LEU 92 -1.044 1.754 4.610 649 HD13 LEU 92 3HD1 LEU 92 -0.101 0.968 3.344 650 HD21 LEU 92 1HD2 LEU 92 -2.882 2.868 2.543 651 HD22 LEU 92 2HD2 LEU 92 -2.558 1.837 1.149 652 HD23 LEU 92 3HD2 LEU 92 -1.218 2.521 2.071 653 H VAL 93 H VAL 93 -3.123 -1.312 -1.018 654 HA VAL 93 HA VAL 93 -3.931 -4.083 -0.633 655 HB VAL 93 HB VAL 93 -2.953 -2.930 -3.228 656 HG11 VAL 93 1HG1 VAL 93 -4.140 -5.394 -2.352 657 HG12 VAL 93 2HG1 VAL 93 -5.161 -4.622 -3.566 658 HG13 VAL 93 3HG1 VAL 93 -3.471 -4.974 -3.928 659 HG21 VAL 93 1HG2 VAL 93 -5.507 -2.545 -3.596 660 HG22 VAL 93 2HG2 VAL 93 -5.548 -2.424 -1.838 661 HG23 VAL 93 3HG2 VAL 93 -4.542 -1.320 -2.774 662 H ILE 94 H ILE 94 -2.498 -5.581 -0.100 663 HA ILE 94 HA ILE 94 0.252 -5.335 -1.122 664 HB ILE 94 HB ILE 94 -0.497 -6.336 1.627 665 HG12 ILE 94 1HG1 ILE 94 -0.718 -3.859 1.310 666 HG13 ILE 94 2HG1 ILE 94 0.491 -4.324 2.501 667 HG21 ILE 94 1HG2 ILE 94 1.460 -7.442 0.611 668 HG22 ILE 94 2HG2 ILE 94 2.218 -5.864 0.406 669 HG23 ILE 94 3HG2 ILE 94 1.883 -6.478 2.025 670 HD11 ILE 94 1HD1 ILE 94 1.552 -4.015 -0.200 671 HD12 ILE 94 2HD1 ILE 94 0.870 -2.540 0.486 672 HD13 ILE 94 3HD1 ILE 94 2.152 -3.398 1.339 673 H ARG 95 H ARG 95 1.342 -7.287 -1.547 674 HA ARG 95 HA ARG 95 -0.249 -9.745 -1.401 675 HB2 ARG 95 1HB ARG 95 -0.648 -8.938 -3.634 676 HB3 ARG 95 2HB ARG 95 1.067 -8.646 -3.886 677 HG2 ARG 95 1HG ARG 95 1.538 -10.983 -3.916 678 HG3 ARG 95 2HG ARG 95 -0.106 -11.373 -3.405 679 HD2 ARG 95 1HD ARG 95 -0.814 -10.126 -5.558 680 HD3 ARG 95 2HD ARG 95 0.862 -10.360 -6.052 681 HE ARG 95 HE ARG 95 -1.199 -12.342 -5.957 682 HH11 ARG 95 2HH1 ARG 95 2.234 -11.819 -5.713 683 HH12 ARG 95 1HH1 ARG 95 2.646 -13.430 -6.198 684 HH21 ARG 95 2HH2 ARG 95 -0.670 -14.466 -6.596 685 HH22 ARG 95 1HH2 ARG 95 0.993 -14.935 -6.701 686 H ARG 96 H ARG 96 0.937 -11.089 -0.220 687 HA ARG 96 HA ARG 96 3.672 -10.864 0.276 688 HB2 ARG 96 1HB ARG 96 1.752 -12.279 1.429 689 HB3 ARG 96 2HB ARG 96 2.379 -13.550 0.388 690 HG2 ARG 96 1HG ARG 96 4.607 -13.236 1.364 691 HG3 ARG 96 2HG ARG 96 3.952 -11.988 2.426 692 HD2 ARG 96 1HD ARG 96 2.958 -14.831 2.351 693 HD3 ARG 96 2HD ARG 96 4.183 -14.247 3.477 694 HE ARG 96 HE ARG 96 2.541 -13.140 4.661 695 HH11 ARG 96 2HH1 ARG 96 1.245 -14.370 1.673 696 HH12 ARG 96 1HH1 ARG 96 -0.404 -14.067 2.112 697 HH21 ARG 96 2HH2 ARG 96 0.375 -12.737 5.251 698 HH22 ARG 96 1HH2 ARG 96 -0.897 -13.137 4.147 699 HA PRO 97 HA PRO 97 5.222 -12.343 -3.640 700 HB2 PRO 97 1HB PRO 97 7.847 -12.076 -3.001 701 HB3 PRO 97 2HB PRO 97 6.824 -10.707 -3.452 702 HG2 PRO 97 1HG PRO 97 7.646 -11.641 -0.730 703 HG3 PRO 97 2HG PRO 97 7.567 -9.989 -1.369 704 HD2 PRO 97 1HD PRO 97 5.638 -11.030 0.220 705 HD3 PRO 97 2HD PRO 97 5.289 -9.840 -1.051 706 H LEU 98 H LEU 98 5.627 -14.364 -4.299 707 HA LEU 98 HA LEU 98 5.524 -16.620 -2.874 708 HB2 LEU 98 1HB LEU 98 5.755 -16.448 -5.349 709 HB3 LEU 98 2HB LEU 98 7.492 -16.251 -5.126 710 HG LEU 98 HG LEU 98 7.432 -18.530 -3.977 711 HD11 LEU 98 1HD1 LEU 98 5.609 -19.960 -4.337 712 HD12 LEU 98 2HD1 LEU 98 4.861 -18.858 -5.493 713 HD13 LEU 98 3HD1 LEU 98 4.897 -18.446 -3.778 714 HD21 LEU 98 1HD2 LEU 98 8.473 -18.762 -5.961 715 HD22 LEU 98 2HD2 LEU 98 7.228 -17.876 -6.840 716 HD23 LEU 98 3HD2 LEU 98 6.976 -19.572 -6.425 717 H SER 99 H SER 99 6.573 -17.454 -1.206 718 HA SER 99 HA SER 99 9.464 -16.976 -0.961 719 HB2 SER 99 1HB SER 99 7.904 -15.552 0.585 720 HB3 SER 99 2HB SER 99 7.734 -17.055 1.491 721 HG SER 99 HG SER 99 10.274 -16.050 0.786 722 H GLY 100 H GLY 100 10.668 -18.664 -0.160 723 HA2 GLY 100 1HA GLY 100 9.415 -20.981 1.013 724 HA3 GLY 100 2HA GLY 100 9.973 -21.248 -0.632 725 HA PRO 101 HA PRO 101 14.025 -22.113 0.781 726 HB2 PRO 101 1HB PRO 101 15.586 -20.955 -1.114 727 HB3 PRO 101 2HB PRO 101 14.635 -22.414 -1.413 728 HG2 PRO 101 1HG PRO 101 14.012 -19.571 -2.114 729 HG3 PRO 101 2HG PRO 101 13.800 -21.036 -3.090 730 HD2 PRO 101 1HD PRO 101 11.751 -19.855 -1.773 731 HD3 PRO 101 2HD PRO 101 11.834 -21.609 -2.032 732 H SER 102 H SER 102 12.819 -19.012 0.858 733 HA SER 102 HA SER 102 14.725 -17.179 1.203 734 HB2 SER 102 1HB SER 102 13.299 -16.007 2.612 735 HB3 SER 102 2HB SER 102 12.180 -17.135 1.848 736 HG SER 102 HG SER 102 11.812 -17.236 4.028 737 H SER 103 H SER 103 16.451 -16.762 2.451 738 HA SER 103 HA SER 103 16.884 -18.408 4.847 739 HB2 SER 103 1HB SER 103 18.731 -18.044 2.503 740 HB3 SER 103 2HB SER 103 19.380 -18.378 4.109 741 HG SER 103 HG SER 103 17.718 -20.184 4.022 742 H GLY 104 H GLY 104 16.784 -16.943 6.435 743 HA2 GLY 104 1HA GLY 104 18.526 -15.333 7.440 744 HA3 GLY 104 2HA GLY 104 18.121 -14.349 6.041 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -28.514 0.507 -2.873 2 HA2 GLY 1 1HA GLY 1 -27.203 2.633 -4.456 3 HA3 GLY 1 2HA GLY 1 -26.354 1.692 -3.238 4 H SER 2 H SER 2 -24.837 1.165 -4.928 5 HA SER 2 HA SER 2 -25.820 -0.622 -7.020 6 HB2 SER 2 1HB SER 2 -23.119 0.650 -6.538 7 HB3 SER 2 2HB SER 2 -23.435 -0.499 -7.838 8 HG SER 2 HG SER 2 -23.679 1.611 -8.598 9 H SER 3 H SER 3 -25.053 -2.731 -7.303 10 HA SER 3 HA SER 3 -23.768 -3.909 -4.926 11 HB2 SER 3 1HB SER 3 -25.991 -4.983 -6.661 12 HB3 SER 3 2HB SER 3 -25.045 -6.020 -5.594 13 HG SER 3 HG SER 3 -26.134 -3.694 -4.509 14 H GLY 4 H GLY 4 -22.347 -5.674 -5.266 15 HA2 GLY 4 1HA GLY 4 -21.703 -6.821 -7.724 16 HA3 GLY 4 2HA GLY 4 -20.680 -5.405 -7.534 17 H SER 5 H SER 5 -19.744 -8.074 -7.711 18 HA SER 5 HA SER 5 -19.017 -8.866 -5.011 19 HB2 SER 5 1HB SER 5 -19.566 -10.408 -7.081 20 HB3 SER 5 2HB SER 5 -17.859 -10.161 -7.449 21 HG SER 5 HG SER 5 -17.765 -11.852 -6.134 22 H SER 6 H SER 6 -17.647 -7.301 -4.236 23 HA SER 6 HA SER 6 -15.308 -6.546 -5.799 24 HB2 SER 6 1HB SER 6 -16.508 -5.565 -3.220 25 HB3 SER 6 2HB SER 6 -14.873 -5.104 -3.693 26 HG SER 6 HG SER 6 -15.843 -4.362 -5.701 27 H GLY 7 H GLY 7 -15.322 -9.238 -5.118 28 HA2 GLY 7 1HA GLY 7 -12.895 -9.356 -3.503 29 HA3 GLY 7 2HA GLY 7 -14.271 -10.276 -2.913 30 H GLN 8 H GLN 8 -12.435 -9.780 -5.927 31 HA GLN 8 HA GLN 8 -12.908 -12.592 -6.606 32 HB2 GLN 8 1HB GLN 8 -12.205 -12.004 -8.860 33 HB3 GLN 8 2HB GLN 8 -13.472 -10.913 -8.315 34 HG2 GLN 8 1HG GLN 8 -12.017 -9.443 -9.282 35 HG3 GLN 8 2HG GLN 8 -11.466 -9.402 -7.608 36 HE21 GLN 8 1HE2 GLN 8 -9.369 -8.897 -7.955 37 HE22 GLN 8 2HE2 GLN 8 -8.253 -9.911 -8.797 38 H ALA 9 H ALA 9 -10.321 -10.239 -6.127 39 HA ALA 9 HA ALA 9 -8.142 -11.830 -6.835 40 HB1 ALA 9 1HB ALA 9 -8.144 -9.770 -4.639 41 HB2 ALA 9 2HB ALA 9 -6.781 -10.289 -5.630 42 HB3 ALA 9 3HB ALA 9 -8.101 -9.373 -6.357 43 H SER 10 H SER 10 -7.006 -13.405 -5.844 44 HA SER 10 HA SER 10 -8.045 -14.372 -3.272 45 HB2 SER 10 1HB SER 10 -6.594 -15.743 -5.532 46 HB3 SER 10 2HB SER 10 -6.757 -16.490 -3.942 47 HG SER 10 HG SER 10 -8.494 -17.186 -5.070 48 H GLY 11 H GLY 11 -4.956 -13.974 -5.009 49 HA2 GLY 11 1HA GLY 11 -3.385 -14.361 -2.646 50 HA3 GLY 11 2HA GLY 11 -2.800 -13.799 -4.206 51 H HIS 12 H HIS 12 -4.229 -11.500 -4.585 52 HA HIS 12 HA HIS 12 -2.863 -9.702 -2.824 53 HB2 HIS 12 1HB HIS 12 -5.003 -8.740 -4.668 54 HB3 HIS 12 2HB HIS 12 -3.426 -8.038 -4.317 55 HD1 HIS 12 1HD HIS 12 -5.090 -10.628 -6.459 56 HD2 HIS 12 2HD HIS 12 -1.348 -8.893 -5.957 57 HE1 HIS 12 1HE HIS 12 -3.733 -11.372 -8.440 58 HE2 HIS 12 2HE HIS 12 -1.447 -10.380 -8.071 59 H PHE 13 H PHE 13 -3.592 -8.720 -1.047 60 HA PHE 13 HA PHE 13 -6.485 -8.759 -0.509 61 HB2 PHE 13 1HB PHE 13 -5.894 -9.112 1.918 62 HB3 PHE 13 2HB PHE 13 -5.581 -10.490 0.869 63 HD1 PHE 13 2HD PHE 13 -3.984 -7.659 2.626 64 HD2 PHE 13 1HD PHE 13 -3.421 -11.387 0.650 65 HE1 PHE 13 2HE PHE 13 -1.652 -7.718 3.409 66 HE2 PHE 13 1HE PHE 13 -1.089 -11.452 1.431 67 HZ PHE 13 HZ PHE 13 -0.201 -9.616 2.811 68 H SER 14 H SER 14 -6.965 -7.257 1.446 69 HA SER 14 HA SER 14 -5.419 -4.773 1.081 70 HB2 SER 14 1HB SER 14 -8.340 -4.878 1.832 71 HB3 SER 14 2HB SER 14 -7.414 -3.497 1.244 72 HG SER 14 HG SER 14 -8.762 -4.484 -0.368 73 H VAL 15 H VAL 15 -5.355 -3.322 2.916 74 HA VAL 15 HA VAL 15 -5.541 -4.768 5.479 75 HB VAL 15 HB VAL 15 -3.636 -2.567 4.670 76 HG11 VAL 15 1HG1 VAL 15 -4.417 -3.641 7.308 77 HG12 VAL 15 2HG1 VAL 15 -2.689 -3.414 7.032 78 HG13 VAL 15 3HG1 VAL 15 -3.796 -2.051 6.867 79 HG21 VAL 15 1HG2 VAL 15 -1.955 -4.152 4.611 80 HG22 VAL 15 2HG2 VAL 15 -2.850 -5.293 5.614 81 HG23 VAL 15 3HG2 VAL 15 -3.318 -5.042 3.933 82 H GLU 16 H GLU 16 -7.039 -4.048 6.830 83 HA GLU 16 HA GLU 16 -7.968 -1.268 6.551 84 HB2 GLU 16 1HB GLU 16 -9.656 -3.041 6.096 85 HB3 GLU 16 2HB GLU 16 -9.452 -3.614 7.745 86 HG2 GLU 16 1HG GLU 16 -10.197 -1.410 8.568 87 HG3 GLU 16 2HG GLU 16 -10.489 -0.919 6.900 88 H LEU 17 H LEU 17 -7.165 0.022 8.063 89 HA LEU 17 HA LEU 17 -6.973 -0.997 10.818 90 HB2 LEU 17 1HB LEU 17 -5.039 0.825 9.395 91 HB3 LEU 17 2HB LEU 17 -4.991 0.459 11.118 92 HG LEU 17 HG LEU 17 -4.804 -1.742 9.096 93 HD11 LEU 17 1HD1 LEU 17 -2.221 -0.967 10.037 94 HD12 LEU 17 2HD1 LEU 17 -2.990 0.405 9.240 95 HD13 LEU 17 3HD1 LEU 17 -2.802 -1.123 8.379 96 HD21 LEU 17 1HD2 LEU 17 -3.329 -2.630 10.994 97 HD22 LEU 17 2HD2 LEU 17 -5.071 -2.571 11.263 98 HD23 LEU 17 3HD2 LEU 17 -4.027 -1.333 11.965 99 H VAL 18 H VAL 18 -6.840 0.841 12.436 100 HA VAL 18 HA VAL 18 -8.692 2.982 11.612 101 HB VAL 18 HB VAL 18 -8.332 1.747 14.346 102 HG11 VAL 18 1HG1 VAL 18 -8.861 4.240 14.224 103 HG12 VAL 18 2HG1 VAL 18 -10.424 3.755 13.562 104 HG13 VAL 18 3HG1 VAL 18 -9.947 3.230 15.178 105 HG21 VAL 18 1HG2 VAL 18 -9.537 0.309 12.777 106 HG22 VAL 18 2HG2 VAL 18 -10.611 0.922 14.035 107 HG23 VAL 18 3HG2 VAL 18 -10.652 1.628 12.419 108 H ARG 19 H ARG 19 -7.700 4.870 11.396 109 HA ARG 19 HA ARG 19 -5.185 5.611 12.023 110 HB2 ARG 19 1HB ARG 19 -7.109 6.944 10.879 111 HB3 ARG 19 2HB ARG 19 -7.388 7.593 12.489 112 HG2 ARG 19 1HG ARG 19 -5.121 8.456 12.562 113 HG3 ARG 19 2HG ARG 19 -4.790 7.755 10.976 114 HD2 ARG 19 1HD ARG 19 -6.268 9.235 9.899 115 HD3 ARG 19 2HD ARG 19 -7.023 9.715 11.419 116 HE ARG 19 HE ARG 19 -4.350 10.431 11.584 117 HH11 ARG 19 2HH1 ARG 19 -7.121 11.224 9.632 118 HH12 ARG 19 1HH1 ARG 19 -6.592 12.841 9.305 119 HH21 ARG 19 2HH2 ARG 19 -3.642 12.558 11.162 120 HH22 ARG 19 1HH2 ARG 19 -4.612 13.598 10.176 121 H GLY 20 H GLY 20 -4.093 5.391 13.863 122 HA2 GLY 20 1HA GLY 20 -5.472 5.659 16.420 123 HA3 GLY 20 2HA GLY 20 -3.838 5.059 16.176 124 H TYR 21 H TYR 21 -2.568 6.323 17.378 125 HA TYR 21 HA TYR 21 -3.087 9.163 17.616 126 HB2 TYR 21 1HB TYR 21 -2.224 7.543 19.464 127 HB3 TYR 21 2HB TYR 21 -0.651 7.791 18.712 128 HD1 TYR 21 2HD TYR 21 -0.151 10.403 18.228 129 HD2 TYR 21 1HD TYR 21 -2.727 8.891 21.258 130 HE1 TYR 21 2HE TYR 21 0.134 12.488 19.502 131 HE2 TYR 21 1HE TYR 21 -2.451 10.972 22.540 132 HH TYR 21 HH TYR 21 -0.616 12.820 22.677 133 H ALA 22 H ALA 22 -2.150 10.716 16.459 134 HA ALA 22 HA ALA 22 -0.864 11.764 14.899 135 HB1 ALA 22 1HB ALA 22 0.837 11.341 16.669 136 HB2 ALA 22 2HB ALA 22 1.309 9.881 15.800 137 HB3 ALA 22 3HB ALA 22 1.506 11.461 15.042 138 H GLY 23 H GLY 23 -2.492 9.996 13.724 139 HA2 GLY 23 1HA GLY 23 -2.685 9.182 11.545 140 HA3 GLY 23 2HA GLY 23 -0.932 9.172 11.419 141 H PHE 24 H PHE 24 -1.135 7.084 10.426 142 HA PHE 24 HA PHE 24 -2.093 4.900 12.085 143 HB2 PHE 24 1HB PHE 24 -1.112 5.112 9.252 144 HB3 PHE 24 2HB PHE 24 -1.278 3.542 10.032 145 HD1 PHE 24 1HD PHE 24 -3.507 2.768 10.780 146 HD2 PHE 24 2HD PHE 24 -2.999 6.318 8.487 147 HE1 PHE 24 1HE PHE 24 -5.899 2.737 10.208 148 HE2 PHE 24 2HE PHE 24 -5.390 6.293 7.911 149 HZ PHE 24 HZ PHE 24 -6.844 4.501 8.773 150 H GLY 25 H GLY 25 0.904 6.362 11.107 151 HA2 GLY 25 1HA GLY 25 2.976 6.097 12.143 152 HA3 GLY 25 2HA GLY 25 2.336 4.711 13.013 153 H LEU 26 H LEU 26 2.055 5.002 9.547 154 HA LEU 26 HA LEU 26 3.991 2.800 9.270 155 HB2 LEU 26 1HB LEU 26 1.588 2.305 8.747 156 HB3 LEU 26 2HB LEU 26 1.709 3.455 7.417 157 HG LEU 26 HG LEU 26 3.523 2.007 6.458 158 HD11 LEU 26 1HD1 LEU 26 3.912 -0.158 7.268 159 HD12 LEU 26 2HD1 LEU 26 2.518 -0.099 8.346 160 HD13 LEU 26 3HD1 LEU 26 3.946 0.874 8.698 161 HD21 LEU 26 1HD2 LEU 26 1.747 1.501 5.208 162 HD22 LEU 26 2HD2 LEU 26 0.664 1.492 6.600 163 HD23 LEU 26 3HD2 LEU 26 1.601 0.051 6.201 164 H THR 27 H THR 27 5.718 3.096 8.010 165 HA THR 27 HA THR 27 5.738 5.423 6.201 166 HB THR 27 HB THR 27 8.037 4.405 7.882 167 HG1 THR 27 1HG THR 27 6.515 6.816 7.970 168 HG21 THR 27 1HG2 THR 27 8.083 6.901 6.224 169 HG22 THR 27 2HG2 THR 27 8.492 5.344 5.504 170 HG23 THR 27 3HG2 THR 27 9.431 5.962 6.863 171 H LEU 28 H LEU 28 6.600 5.143 4.193 172 HA LEU 28 HA LEU 28 7.342 2.391 3.479 173 HB2 LEU 28 1HB LEU 28 6.085 4.644 1.968 174 HB3 LEU 28 2HB LEU 28 6.925 3.359 1.103 175 HG LEU 28 HG LEU 28 4.748 2.694 3.048 176 HD11 LEU 28 1HD1 LEU 28 4.423 4.259 0.670 177 HD12 LEU 28 2HD1 LEU 28 3.207 3.714 1.825 178 HD13 LEU 28 3HD1 LEU 28 3.654 2.685 0.464 179 HD21 LEU 28 1HD2 LEU 28 6.465 1.166 1.576 180 HD22 LEU 28 2HD2 LEU 28 5.048 1.235 0.528 181 HD23 LEU 28 3HD2 LEU 28 4.895 0.635 2.180 182 H GLY 29 H GLY 29 9.312 1.925 2.690 183 HA2 GLY 29 1HA GLY 29 11.161 4.191 2.296 184 HA3 GLY 29 2HA GLY 29 11.643 2.595 2.850 185 H GLY 30 H GLY 30 10.989 4.600 0.124 186 HA2 GLY 30 1HA GLY 30 12.444 3.794 -1.813 187 HA3 GLY 30 2HA GLY 30 11.481 2.329 -1.692 188 H GLY 31 H GLY 31 10.537 2.425 -3.695 189 HA2 GLY 31 1HA GLY 31 8.506 2.959 -4.815 190 HA3 GLY 31 2HA GLY 31 8.497 4.514 -3.997 191 H ARG 32 H ARG 32 8.042 5.350 -6.162 192 HA ARG 32 HA ARG 32 10.176 5.238 -8.112 193 HB2 ARG 32 1HB ARG 32 7.710 5.284 -8.686 194 HB3 ARG 32 2HB ARG 32 7.707 6.971 -8.188 195 HG2 ARG 32 1HG ARG 32 9.452 7.419 -9.899 196 HG3 ARG 32 2HG ARG 32 9.274 5.751 -10.449 197 HD2 ARG 32 1HD ARG 32 6.772 6.326 -10.673 198 HD3 ARG 32 2HD ARG 32 7.303 8.005 -10.588 199 HE ARG 32 HE ARG 32 8.861 6.793 -12.521 200 HH11 ARG 32 2HH1 ARG 32 5.480 7.431 -11.991 201 HH12 ARG 32 1HH1 ARG 32 5.102 7.538 -13.679 202 HH21 ARG 32 2HH2 ARG 32 8.377 6.932 -14.745 203 HH22 ARG 32 1HH2 ARG 32 6.750 7.254 -15.244 204 H ASP 33 H ASP 33 11.948 6.396 -7.707 205 HA ASP 33 HA ASP 33 11.647 9.084 -6.551 206 HB2 ASP 33 1HB ASP 33 14.050 7.251 -6.665 207 HB3 ASP 33 2HB ASP 33 14.079 8.891 -6.023 208 H VAL 34 H VAL 34 13.119 10.765 -7.361 209 HA VAL 34 HA VAL 34 12.972 10.972 -10.188 210 HB VAL 34 HB VAL 34 14.509 12.687 -8.232 211 HG11 VAL 34 1HG1 VAL 34 14.208 12.759 -11.142 212 HG12 VAL 34 2HG1 VAL 34 13.828 14.284 -10.340 213 HG13 VAL 34 3HG1 VAL 34 15.406 13.532 -10.104 214 HG21 VAL 34 1HG2 VAL 34 11.883 12.364 -8.144 215 HG22 VAL 34 2HG2 VAL 34 12.631 13.942 -7.894 216 HG23 VAL 34 3HG2 VAL 34 11.940 13.533 -9.464 217 H ALA 35 H ALA 35 15.459 9.960 -7.969 218 HA ALA 35 HA ALA 35 17.517 10.004 -10.027 219 HB1 ALA 35 1HB ALA 35 18.306 8.674 -7.598 220 HB2 ALA 35 2HB ALA 35 18.940 10.150 -8.328 221 HB3 ALA 35 3HB ALA 35 17.549 10.228 -7.246 222 H GLY 36 H GLY 36 15.386 7.754 -8.432 223 HA2 GLY 36 1HA GLY 36 16.038 5.717 -10.369 224 HA3 GLY 36 2HA GLY 36 16.537 5.316 -8.733 225 H ASP 37 H ASP 37 14.964 3.511 -9.372 226 HA ASP 37 HA ASP 37 12.327 4.239 -8.307 227 HB2 ASP 37 1HB ASP 37 11.959 4.066 -10.671 228 HB3 ASP 37 2HB ASP 37 12.872 2.562 -10.759 229 H THR 38 H THR 38 11.231 2.563 -7.200 230 HA THR 38 HA THR 38 12.439 -0.016 -6.849 231 HB THR 38 HB THR 38 12.662 0.302 -4.321 232 HG1 THR 38 1HG THR 38 12.809 2.349 -3.563 233 HG21 THR 38 1HG2 THR 38 14.675 1.880 -5.905 234 HG22 THR 38 2HG2 THR 38 14.538 0.127 -6.048 235 HG23 THR 38 3HG2 THR 38 14.944 0.857 -4.495 236 HA PRO 39 HA PRO 39 8.288 -1.043 -5.833 237 HB2 PRO 39 1HB PRO 39 8.683 -3.312 -4.395 238 HB3 PRO 39 2HB PRO 39 8.894 -3.237 -6.149 239 HG2 PRO 39 1HG PRO 39 10.959 -3.115 -3.985 240 HG3 PRO 39 2HG PRO 39 10.998 -4.003 -5.519 241 HD2 PRO 39 1HD PRO 39 12.287 -1.648 -5.166 242 HD3 PRO 39 2HD PRO 39 11.601 -2.136 -6.729 243 H LEU 40 H LEU 40 7.181 0.182 -4.435 244 HA LEU 40 HA LEU 40 8.013 1.058 -1.941 245 HB2 LEU 40 1HB LEU 40 5.375 0.814 -3.293 246 HB3 LEU 40 2HB LEU 40 5.399 1.185 -1.570 247 HG LEU 40 HG LEU 40 6.911 2.832 -3.581 248 HD11 LEU 40 1HD1 LEU 40 5.097 4.200 -3.965 249 HD12 LEU 40 2HD1 LEU 40 4.233 3.638 -2.534 250 HD13 LEU 40 3HD1 LEU 40 4.346 2.604 -3.958 251 HD21 LEU 40 1HD2 LEU 40 5.807 3.567 -0.878 252 HD22 LEU 40 2HD2 LEU 40 6.942 4.482 -1.870 253 HD23 LEU 40 3HD2 LEU 40 7.444 2.962 -1.129 254 H ALA 41 H ALA 41 8.203 0.127 -0.014 255 HA ALA 41 HA ALA 41 6.491 -2.111 0.719 256 HB1 ALA 41 1HB ALA 41 8.406 -3.183 -0.357 257 HB2 ALA 41 2HB ALA 41 9.497 -2.350 0.751 258 HB3 ALA 41 3HB ALA 41 8.354 -3.542 1.369 259 H VAL 42 H VAL 42 6.274 -2.404 2.940 260 HA VAL 42 HA VAL 42 6.353 -0.222 4.588 261 HB VAL 42 HB VAL 42 6.565 -3.133 5.354 262 HG11 VAL 42 1HG1 VAL 42 6.819 -0.775 6.987 263 HG12 VAL 42 2HG1 VAL 42 5.393 -1.706 7.450 264 HG13 VAL 42 3HG1 VAL 42 6.982 -2.472 7.436 265 HG21 VAL 42 1HG2 VAL 42 4.313 -3.231 5.254 266 HG22 VAL 42 2HG2 VAL 42 4.108 -1.578 5.835 267 HG23 VAL 42 3HG2 VAL 42 4.507 -1.876 4.143 268 H ARG 43 H ARG 43 7.930 0.950 5.440 269 HA ARG 43 HA ARG 43 10.633 -0.161 5.552 270 HB2 ARG 43 1HB ARG 43 10.513 1.944 4.426 271 HB3 ARG 43 2HB ARG 43 9.573 2.658 5.729 272 HG2 ARG 43 1HG ARG 43 12.062 3.250 5.538 273 HG3 ARG 43 2HG ARG 43 11.412 2.844 7.128 274 HD2 ARG 43 1HD ARG 43 12.415 0.738 7.132 275 HD3 ARG 43 2HD ARG 43 12.646 0.744 5.385 276 HE ARG 43 HE ARG 43 14.155 2.836 6.361 277 HH11 ARG 43 2HH1 ARG 43 14.025 -0.618 6.778 278 HH12 ARG 43 1HH1 ARG 43 15.719 -0.773 7.108 279 HH21 ARG 43 2HH2 ARG 43 16.386 2.645 6.795 280 HH22 ARG 43 1HH2 ARG 43 17.061 1.084 7.119 281 H GLY 44 H GLY 44 8.780 2.073 7.635 282 HA2 GLY 44 1HA GLY 44 9.897 0.630 9.960 283 HA3 GLY 44 2HA GLY 44 9.654 2.370 9.934 284 H LEU 45 H LEU 45 8.607 0.470 11.841 285 HA LEU 45 HA LEU 45 5.728 0.881 11.373 286 HB2 LEU 45 1HB LEU 45 7.220 -1.493 12.337 287 HB3 LEU 45 2HB LEU 45 5.665 -1.151 13.093 288 HG LEU 45 HG LEU 45 6.071 -1.530 10.128 289 HD11 LEU 45 1HD1 LEU 45 4.713 -3.681 10.758 290 HD12 LEU 45 2HD1 LEU 45 5.477 -3.447 12.329 291 HD13 LEU 45 3HD1 LEU 45 6.472 -3.655 10.888 292 HD21 LEU 45 1HD2 LEU 45 4.141 -0.167 10.666 293 HD22 LEU 45 2HD2 LEU 45 3.590 -1.366 11.837 294 HD23 LEU 45 3HD2 LEU 45 3.622 -1.761 10.118 295 H LEU 46 H LEU 46 5.282 2.626 12.588 296 HA LEU 46 HA LEU 46 6.511 3.595 14.812 297 HB2 LEU 46 1HB LEU 46 4.437 4.429 13.452 298 HB3 LEU 46 2HB LEU 46 3.526 3.626 14.729 299 HG LEU 46 HG LEU 46 5.624 5.631 15.447 300 HD11 LEU 46 1HD1 LEU 46 4.296 6.749 13.750 301 HD12 LEU 46 2HD1 LEU 46 3.933 7.403 15.347 302 HD13 LEU 46 3HD1 LEU 46 2.811 6.281 14.577 303 HD21 LEU 46 1HD2 LEU 46 4.252 4.078 17.032 304 HD22 LEU 46 2HD2 LEU 46 2.965 5.252 16.753 305 HD23 LEU 46 3HD2 LEU 46 4.499 5.773 17.452 306 H LYS 47 H LYS 47 7.054 2.616 16.637 307 HA LYS 47 HA LYS 47 6.093 0.227 17.619 308 HB2 LYS 47 1HB LYS 47 8.124 1.039 18.513 309 HB3 LYS 47 2HB LYS 47 7.396 2.565 18.997 310 HG2 LYS 47 1HG LYS 47 7.755 1.296 20.965 311 HG3 LYS 47 2HG LYS 47 6.019 1.285 20.649 312 HD2 LYS 47 1HD LYS 47 6.421 -0.934 19.455 313 HD3 LYS 47 2HD LYS 47 8.014 -0.922 20.214 314 HE2 LYS 47 1HE LYS 47 7.106 -1.042 22.374 315 HE3 LYS 47 2HE LYS 47 5.500 -0.573 21.817 316 HZ1 LYS 47 1HZ LYS 47 6.469 -3.138 22.180 317 HZ2 LYS 47 2HZ LYS 47 6.337 -2.934 20.506 318 HZ3 LYS 47 3HZ LYS 47 4.988 -2.690 21.497 319 H ASP 48 H ASP 48 4.400 -0.419 18.823 320 HA ASP 48 HA ASP 48 2.424 -0.381 19.952 321 HB2 ASP 48 1HB ASP 48 3.829 1.189 21.439 322 HB3 ASP 48 2HB ASP 48 2.934 2.498 20.670 323 H GLY 49 H GLY 49 2.396 0.153 17.207 324 HA2 GLY 49 1HA GLY 49 0.264 2.183 16.968 325 HA3 GLY 49 2HA GLY 49 1.343 1.718 15.661 326 HA PRO 50 HA PRO 50 -2.732 -0.683 15.553 327 HB2 PRO 50 1HB PRO 50 -3.716 0.417 13.274 328 HB3 PRO 50 2HB PRO 50 -4.043 1.079 14.880 329 HG2 PRO 50 1HG PRO 50 -2.039 1.962 12.839 330 HG3 PRO 50 2HG PRO 50 -3.109 2.946 13.854 331 HD2 PRO 50 1HD PRO 50 -0.493 2.564 14.439 332 HD3 PRO 50 2HD PRO 50 -1.732 2.774 15.694 333 H ALA 51 H ALA 51 -0.516 0.343 12.985 334 HA ALA 51 HA ALA 51 -1.029 -1.929 11.323 335 HB1 ALA 51 1HB ALA 51 0.306 -0.926 9.798 336 HB2 ALA 51 2HB ALA 51 0.023 0.482 10.823 337 HB3 ALA 51 3HB ALA 51 1.509 -0.451 10.998 338 H GLN 52 H GLN 52 1.417 -1.068 13.713 339 HA GLN 52 HA GLN 52 3.092 -3.317 13.230 340 HB2 GLN 52 1HB GLN 52 4.078 -1.424 14.283 341 HB3 GLN 52 2HB GLN 52 2.850 -1.397 15.541 342 HG2 GLN 52 1HG GLN 52 3.724 -3.372 16.543 343 HG3 GLN 52 2HG GLN 52 4.818 -3.641 15.188 344 HE21 GLN 52 1HE2 GLN 52 6.363 -1.799 14.780 345 HE22 GLN 52 2HE2 GLN 52 7.090 -1.075 16.170 346 H ARG 53 H ARG 53 0.642 -2.598 15.704 347 HA ARG 53 HA ARG 53 0.865 -5.020 17.107 348 HB2 ARG 53 1HB ARG 53 -1.354 -3.007 16.828 349 HB3 ARG 53 2HB ARG 53 -1.554 -4.462 17.795 350 HG2 ARG 53 1HG ARG 53 0.360 -3.801 19.173 351 HG3 ARG 53 2HG ARG 53 0.533 -2.332 18.211 352 HD2 ARG 53 1HD ARG 53 -0.705 -1.533 19.964 353 HD3 ARG 53 2HD ARG 53 -1.992 -2.001 18.854 354 HE ARG 53 HE ARG 53 -1.298 -3.275 21.365 355 HH11 ARG 53 2HH1 ARG 53 -3.062 -3.464 18.370 356 HH12 ARG 53 1HH1 ARG 53 -4.180 -4.652 18.953 357 HH21 ARG 53 2HH2 ARG 53 -2.764 -4.839 22.144 358 HH22 ARG 53 1HH2 ARG 53 -4.010 -5.433 21.100 359 H CYS 54 H CYS 54 -1.258 -4.062 14.432 360 HA CYS 54 HA CYS 54 -2.816 -6.364 14.291 361 HB2 CYS 54 1HB CYS 54 -2.034 -4.236 12.354 362 HB3 CYS 54 2HB CYS 54 -2.790 -5.691 11.717 363 HG CYS 54 HG CYS 54 -4.577 -4.735 14.260 364 H GLY 55 H GLY 55 0.388 -5.695 12.995 365 HA2 GLY 55 1HA GLY 55 2.040 -7.227 12.433 366 HA3 GLY 55 2HA GLY 55 0.893 -8.525 12.726 367 H ARG 56 H ARG 56 -1.145 -7.663 10.960 368 HA ARG 56 HA ARG 56 -0.682 -8.971 8.668 369 HB2 ARG 56 1HB ARG 56 -2.238 -6.407 9.011 370 HB3 ARG 56 2HB ARG 56 -2.283 -7.370 7.540 371 HG2 ARG 56 1HG ARG 56 -3.414 -9.114 8.560 372 HG3 ARG 56 2HG ARG 56 -2.917 -8.619 10.180 373 HD2 ARG 56 1HD ARG 56 -5.136 -7.970 10.126 374 HD3 ARG 56 2HD ARG 56 -4.299 -6.484 9.677 375 HE ARG 56 HE ARG 56 -5.371 -6.573 7.672 376 HH11 ARG 56 2HH1 ARG 56 -5.296 -9.781 9.021 377 HH12 ARG 56 1HH1 ARG 56 -6.250 -10.478 7.754 378 HH21 ARG 56 2HH2 ARG 56 -6.628 -7.478 5.997 379 HH22 ARG 56 1HH2 ARG 56 -7.006 -9.167 6.034 380 H LEU 57 H LEU 57 0.284 -5.630 9.297 381 HA LEU 57 HA LEU 57 1.732 -5.599 6.740 382 HB2 LEU 57 1HB LEU 57 0.676 -3.442 8.529 383 HB3 LEU 57 2HB LEU 57 1.953 -3.099 7.364 384 HG LEU 57 HG LEU 57 -0.765 -4.192 6.647 385 HD11 LEU 57 1HD1 LEU 57 -1.479 -2.057 6.130 386 HD12 LEU 57 2HD1 LEU 57 0.159 -1.408 6.072 387 HD13 LEU 57 3HD1 LEU 57 -0.581 -1.798 7.625 388 HD21 LEU 57 1HD2 LEU 57 0.613 -4.817 4.907 389 HD22 LEU 57 2HD2 LEU 57 1.667 -3.416 5.096 390 HD23 LEU 57 3HD2 LEU 57 0.068 -3.226 4.377 391 H GLU 58 H GLU 58 3.818 -6.071 6.842 392 HA GLU 58 HA GLU 58 5.387 -5.070 9.111 393 HB2 GLU 58 1HB GLU 58 5.209 -7.892 8.120 394 HB3 GLU 58 2HB GLU 58 6.709 -7.310 8.827 395 HG2 GLU 58 1HG GLU 58 5.792 -7.072 10.922 396 HG3 GLU 58 2HG GLU 58 4.149 -6.922 10.302 397 H VAL 59 H VAL 59 7.689 -4.913 8.672 398 HA VAL 59 HA VAL 59 8.272 -3.670 6.249 399 HB VAL 59 HB VAL 59 10.196 -4.966 8.186 400 HG11 VAL 59 1HG1 VAL 59 11.238 -2.705 6.749 401 HG12 VAL 59 2HG1 VAL 59 11.878 -4.345 6.873 402 HG13 VAL 59 3HG1 VAL 59 10.695 -3.950 5.625 403 HG21 VAL 59 1HG2 VAL 59 10.464 -2.682 9.062 404 HG22 VAL 59 2HG2 VAL 59 9.199 -2.126 7.967 405 HG23 VAL 59 3HG2 VAL 59 8.814 -3.275 9.247 406 H GLY 60 H GLY 60 8.606 -4.441 4.274 407 HA2 GLY 60 1HA GLY 60 10.052 -5.972 2.947 408 HA3 GLY 60 2HA GLY 60 9.487 -7.251 4.011 409 H ASP 61 H ASP 61 6.768 -5.784 3.890 410 HA ASP 61 HA ASP 61 5.557 -7.474 2.014 411 HB2 ASP 61 1HB ASP 61 3.534 -6.360 2.503 412 HB3 ASP 61 2HB ASP 61 4.478 -6.254 3.986 413 H LEU 62 H LEU 62 4.220 -6.714 0.137 414 HA LEU 62 HA LEU 62 5.683 -4.671 -1.402 415 HB2 LEU 62 1HB LEU 62 4.304 -7.104 -2.519 416 HB3 LEU 62 2HB LEU 62 5.284 -5.938 -3.405 417 HG LEU 62 HG LEU 62 6.328 -7.814 -1.285 418 HD11 LEU 62 1HD1 LEU 62 7.433 -8.905 -3.266 419 HD12 LEU 62 2HD1 LEU 62 6.334 -7.980 -4.288 420 HD13 LEU 62 3HD1 LEU 62 5.691 -9.148 -3.134 421 HD21 LEU 62 1HD2 LEU 62 7.773 -6.021 -3.234 422 HD22 LEU 62 2HD2 LEU 62 8.520 -7.117 -2.071 423 HD23 LEU 62 3HD2 LEU 62 7.596 -5.725 -1.504 424 H VAL 63 H VAL 63 4.482 -2.933 -1.748 425 HA VAL 63 HA VAL 63 1.587 -3.082 -1.596 426 HB VAL 63 HB VAL 63 3.242 -0.627 -2.165 427 HG11 VAL 63 1HG1 VAL 63 0.416 -1.186 -1.675 428 HG12 VAL 63 2HG1 VAL 63 1.072 0.108 -0.670 429 HG13 VAL 63 3HG1 VAL 63 1.183 0.212 -2.428 430 HG21 VAL 63 1HG2 VAL 63 4.018 -1.773 -0.104 431 HG22 VAL 63 2HG2 VAL 63 3.317 -0.184 0.199 432 HG23 VAL 63 3HG2 VAL 63 2.383 -1.640 0.542 433 H LEU 64 H LEU 64 0.349 -3.391 -3.315 434 HA LEU 64 HA LEU 64 1.458 -2.868 -5.980 435 HB2 LEU 64 1HB LEU 64 -0.936 -4.496 -5.140 436 HB3 LEU 64 2HB LEU 64 -0.372 -4.296 -6.798 437 HG LEU 64 HG LEU 64 1.451 -5.464 -4.733 438 HD11 LEU 64 1HD1 LEU 64 -0.079 -7.383 -6.335 439 HD12 LEU 64 2HD1 LEU 64 -1.012 -6.552 -5.091 440 HD13 LEU 64 3HD1 LEU 64 0.434 -7.459 -4.649 441 HD21 LEU 64 1HD2 LEU 64 2.765 -5.648 -6.509 442 HD22 LEU 64 2HD2 LEU 64 1.502 -4.979 -7.544 443 HD23 LEU 64 3HD2 LEU 64 1.581 -6.719 -7.259 444 H HIS 65 H HIS 65 -1.242 -2.101 -3.870 445 HA HIS 65 HA HIS 65 -1.814 0.253 -5.463 446 HB2 HIS 65 1HB HIS 65 -3.948 -1.826 -4.933 447 HB3 HIS 65 2HB HIS 65 -4.219 -0.241 -5.652 448 HD1 HIS 65 1HD HIS 65 -2.229 -0.024 -7.820 449 HD2 HIS 65 2HD HIS 65 -4.093 -3.629 -6.929 450 HE1 HIS 65 1HE HIS 65 -2.044 -1.411 -9.909 451 HE2 HIS 65 2HE HIS 65 -3.253 -3.555 -9.374 452 H ILE 66 H ILE 66 -3.463 1.655 -4.379 453 HA ILE 66 HA ILE 66 -3.695 1.173 -1.500 454 HB ILE 66 HB ILE 66 -2.612 3.737 -2.674 455 HG12 ILE 66 1HG1 ILE 66 -1.253 1.779 -0.816 456 HG13 ILE 66 2HG1 ILE 66 -1.023 1.782 -2.561 457 HG21 ILE 66 1HG2 ILE 66 -2.397 3.489 0.183 458 HG22 ILE 66 2HG2 ILE 66 -3.145 4.764 -0.779 459 HG23 ILE 66 3HG2 ILE 66 -4.078 3.336 -0.329 460 HD11 ILE 66 1HD1 ILE 66 -0.423 4.121 -0.769 461 HD12 ILE 66 2HD1 ILE 66 0.767 2.935 -1.307 462 HD13 ILE 66 3HD1 ILE 66 -0.046 3.964 -2.485 463 H ASN 67 H ASN 67 -5.645 1.690 -0.730 464 HA ASN 67 HA ASN 67 -7.841 2.305 -0.733 465 HB2 ASN 67 1HB ASN 67 -6.458 4.780 -1.753 466 HB3 ASN 67 2HB ASN 67 -8.193 4.746 -1.456 467 HD21 ASN 67 1HD2 ASN 67 -5.081 4.975 -0.082 468 HD22 ASN 67 2HD2 ASN 67 -5.568 5.112 1.570 469 H GLY 68 H GLY 68 -6.779 0.967 -3.163 470 HA2 GLY 68 1HA GLY 68 -7.825 0.181 -5.074 471 HA3 GLY 68 2HA GLY 68 -9.120 1.336 -4.799 472 H GLU 69 H GLU 69 -5.727 2.207 -5.013 473 HA GLU 69 HA GLU 69 -6.310 3.559 -7.567 474 HB2 GLU 69 1HB GLU 69 -4.681 4.455 -5.201 475 HB3 GLU 69 2HB GLU 69 -4.435 5.149 -6.798 476 HG2 GLU 69 1HG GLU 69 -7.023 5.524 -6.699 477 HG3 GLU 69 2HG GLU 69 -6.762 5.396 -4.961 478 H SER 70 H SER 70 -4.242 4.074 -8.807 479 HA SER 70 HA SER 70 -2.606 1.639 -8.863 480 HB2 SER 70 1HB SER 70 -2.059 2.278 -11.176 481 HB3 SER 70 2HB SER 70 -3.803 2.177 -10.939 482 HG SER 70 HG SER 70 -3.825 4.455 -10.730 483 H THR 71 H THR 71 -0.807 1.856 -7.697 484 HA THR 71 HA THR 71 0.454 4.289 -7.069 485 HB THR 71 HB THR 71 2.025 3.063 -5.918 486 HG1 THR 71 1HG THR 71 2.988 2.015 -7.678 487 HG21 THR 71 1HG2 THR 71 0.013 0.856 -6.284 488 HG22 THR 71 2HG2 THR 71 -0.364 2.328 -5.388 489 HG23 THR 71 3HG2 THR 71 0.938 1.272 -4.842 490 H GLN 72 H GLN 72 0.739 2.163 -9.798 491 HA GLN 72 HA GLN 72 3.259 2.791 -10.762 492 HB2 GLN 72 1HB GLN 72 1.553 1.109 -11.670 493 HB3 GLN 72 2HB GLN 72 0.860 2.463 -12.553 494 HG2 GLN 72 1HG GLN 72 3.217 2.824 -13.477 495 HG3 GLN 72 2HG GLN 72 3.558 1.205 -12.868 496 HE21 GLN 72 1HE2 GLN 72 1.778 3.086 -15.181 497 HE22 GLN 72 2HE2 GLN 72 1.302 1.768 -16.192 498 H GLY 73 H GLY 73 0.242 4.594 -11.023 499 HA2 GLY 73 1HA GLY 73 1.465 6.612 -12.721 500 HA3 GLY 73 2HA GLY 73 -0.197 6.595 -12.149 501 H LEU 74 H LEU 74 1.548 5.991 -9.476 502 HA LEU 74 HA LEU 74 1.748 8.852 -8.803 503 HB2 LEU 74 1HB LEU 74 1.248 6.548 -6.926 504 HB3 LEU 74 2HB LEU 74 1.253 8.261 -6.513 505 HG LEU 74 HG LEU 74 -0.713 7.195 -8.504 506 HD11 LEU 74 1HD1 LEU 74 -2.225 6.529 -6.867 507 HD12 LEU 74 2HD1 LEU 74 -1.326 7.322 -5.574 508 HD13 LEU 74 3HD1 LEU 74 -0.694 5.851 -6.313 509 HD21 LEU 74 1HD2 LEU 74 -1.104 9.403 -8.507 510 HD22 LEU 74 2HD2 LEU 74 -0.259 9.657 -6.980 511 HD23 LEU 74 3HD2 LEU 74 -1.931 9.093 -6.980 512 H THR 75 H THR 75 3.351 9.365 -7.093 513 HA THR 75 HA THR 75 5.793 7.781 -7.512 514 HB THR 75 HB THR 75 6.970 9.863 -6.676 515 HG1 THR 75 1HG THR 75 4.590 10.623 -6.038 516 HG21 THR 75 1HG2 THR 75 6.689 11.078 -8.826 517 HG22 THR 75 2HG2 THR 75 5.324 10.026 -9.202 518 HG23 THR 75 3HG2 THR 75 6.942 9.346 -9.033 519 H HIS 76 H HIS 76 7.396 8.308 -5.536 520 HA HIS 76 HA HIS 76 6.553 6.784 -3.388 521 HB2 HIS 76 1HB HIS 76 8.860 7.023 -3.531 522 HB3 HIS 76 2HB HIS 76 8.769 8.767 -3.756 523 HD1 HIS 76 1HD HIS 76 10.047 9.684 -1.835 524 HD2 HIS 76 2HD HIS 76 7.401 6.701 -0.668 525 HE1 HIS 76 1HE HIS 76 10.159 9.631 0.677 526 HE2 HIS 76 2HE HIS 76 8.614 7.761 1.356 527 H ALA 77 H ALA 77 6.586 10.317 -3.710 528 HA ALA 77 HA ALA 77 5.637 10.876 -1.110 529 HB1 ALA 77 1HB ALA 77 4.799 12.893 -2.954 530 HB2 ALA 77 2HB ALA 77 6.081 12.954 -1.744 531 HB3 ALA 77 3HB ALA 77 6.428 12.358 -3.368 532 H GLN 78 H GLN 78 3.851 11.279 -4.173 533 HA GLN 78 HA GLN 78 1.349 11.696 -3.326 534 HB2 GLN 78 1HB GLN 78 2.139 9.750 -5.499 535 HB3 GLN 78 2HB GLN 78 0.521 10.406 -5.285 536 HG2 GLN 78 1HG GLN 78 2.991 12.032 -5.847 537 HG3 GLN 78 2HG GLN 78 1.791 11.550 -7.045 538 HE21 GLN 78 1HE2 GLN 78 0.350 13.036 -7.507 539 HE22 GLN 78 2HE2 GLN 78 -0.193 14.297 -6.459 540 H ALA 79 H ALA 79 2.835 8.473 -3.507 541 HA ALA 79 HA ALA 79 0.699 6.932 -2.673 542 HB1 ALA 79 1HB ALA 79 2.595 5.784 -3.423 543 HB2 ALA 79 2HB ALA 79 3.657 6.609 -2.281 544 HB3 ALA 79 3HB ALA 79 2.503 5.406 -1.703 545 H VAL 80 H VAL 80 3.268 8.276 -0.589 546 HA VAL 80 HA VAL 80 2.245 7.484 1.860 547 HB VAL 80 HB VAL 80 3.779 10.009 1.226 548 HG11 VAL 80 1HG1 VAL 80 4.265 10.229 3.519 549 HG12 VAL 80 2HG1 VAL 80 2.527 9.938 3.437 550 HG13 VAL 80 3HG1 VAL 80 3.620 8.631 3.892 551 HG21 VAL 80 1HG2 VAL 80 4.928 7.954 0.555 552 HG22 VAL 80 2HG2 VAL 80 5.741 8.731 1.913 553 HG23 VAL 80 3HG2 VAL 80 4.732 7.311 2.185 554 H GLU 81 H GLU 81 1.382 10.239 -0.142 555 HA GLU 81 HA GLU 81 -0.205 11.558 1.817 556 HB2 GLU 81 1HB GLU 81 0.809 12.436 -0.438 557 HB3 GLU 81 2HB GLU 81 -0.705 11.857 -1.119 558 HG2 GLU 81 1HG GLU 81 -0.782 13.626 1.273 559 HG3 GLU 81 2HG GLU 81 -0.447 14.329 -0.308 560 H ARG 82 H ARG 82 -1.040 9.521 -0.982 561 HA ARG 82 HA ARG 82 -3.755 9.501 -0.858 562 HB2 ARG 82 1HB ARG 82 -1.820 7.276 -1.455 563 HB3 ARG 82 2HB ARG 82 -3.558 7.029 -1.560 564 HG2 ARG 82 1HG ARG 82 -2.035 9.129 -3.087 565 HG3 ARG 82 2HG ARG 82 -2.501 7.552 -3.728 566 HD2 ARG 82 1HD ARG 82 -4.335 9.753 -2.790 567 HD3 ARG 82 2HD ARG 82 -4.103 9.197 -4.447 568 HE ARG 82 HE ARG 82 -4.931 6.998 -2.991 569 HH11 ARG 82 2HH1 ARG 82 -6.185 10.135 -3.831 570 HH12 ARG 82 1HH1 ARG 82 -7.840 9.626 -3.799 571 HH21 ARG 82 2HH2 ARG 82 -7.107 6.316 -2.946 572 HH22 ARG 82 1HH2 ARG 82 -8.364 7.454 -3.295 573 H ILE 83 H ILE 83 -1.546 8.044 1.400 574 HA ILE 83 HA ILE 83 -3.560 6.463 2.723 575 HB ILE 83 HB ILE 83 -0.827 7.179 3.777 576 HG12 ILE 83 1HG1 ILE 83 -1.604 4.792 2.088 577 HG13 ILE 83 2HG1 ILE 83 -0.705 6.185 1.498 578 HG21 ILE 83 1HG2 ILE 83 -2.643 6.144 5.262 579 HG22 ILE 83 2HG2 ILE 83 -2.391 4.679 4.314 580 HG23 ILE 83 3HG2 ILE 83 -1.057 5.372 5.236 581 HD11 ILE 83 1HD1 ILE 83 0.847 4.447 1.938 582 HD12 ILE 83 2HD1 ILE 83 1.046 5.664 3.199 583 HD13 ILE 83 3HD1 ILE 83 0.174 4.170 3.544 584 H ARG 84 H ARG 84 -1.565 9.250 3.723 585 HA ARG 84 HA ARG 84 -2.793 9.786 6.135 586 HB2 ARG 84 1HB ARG 84 -1.645 11.777 6.138 587 HB3 ARG 84 2HB ARG 84 -0.746 10.901 4.907 588 HG2 ARG 84 1HG ARG 84 -1.899 12.058 3.154 589 HG3 ARG 84 2HG ARG 84 -2.983 12.825 4.316 590 HD2 ARG 84 1HD ARG 84 -0.043 13.203 4.619 591 HD3 ARG 84 2HD ARG 84 -0.890 14.099 3.358 592 HE ARG 84 HE ARG 84 -2.238 14.352 5.834 593 HH11 ARG 84 2HH1 ARG 84 0.594 15.441 4.127 594 HH12 ARG 84 1HH1 ARG 84 0.696 16.941 4.989 595 HH21 ARG 84 2HH2 ARG 84 -2.114 16.323 6.975 596 HH22 ARG 84 1HH2 ARG 84 -0.844 17.441 6.609 597 H ALA 85 H ALA 85 -3.790 10.707 2.889 598 HA ALA 85 HA ALA 85 -6.030 12.263 3.888 599 HB1 ALA 85 1HB ALA 85 -4.533 12.207 1.491 600 HB2 ALA 85 2HB ALA 85 -6.205 11.824 1.080 601 HB3 ALA 85 3HB ALA 85 -5.829 13.313 1.947 602 H GLY 86 H GLY 86 -5.399 9.031 3.283 603 HA2 GLY 86 1HA GLY 86 -7.600 7.992 2.014 604 HA3 GLY 86 2HA GLY 86 -6.774 7.187 3.339 605 H GLY 87 H GLY 87 -7.386 9.095 5.366 606 HA2 GLY 87 1HA GLY 87 -9.444 10.108 6.268 607 HA3 GLY 87 2HA GLY 87 -10.318 8.768 5.541 608 HA PRO 88 HA PRO 88 -9.729 7.672 9.965 609 HB2 PRO 88 1HB PRO 88 -12.164 6.497 10.217 610 HB3 PRO 88 2HB PRO 88 -11.912 8.237 10.405 611 HG2 PRO 88 1HG PRO 88 -12.923 6.714 8.034 612 HG3 PRO 88 2HG PRO 88 -13.515 8.239 8.720 613 HD2 PRO 88 1HD PRO 88 -11.920 8.147 6.534 614 HD3 PRO 88 2HD PRO 88 -11.865 9.484 7.700 615 H GLN 89 H GLN 89 -10.603 5.884 7.110 616 HA GLN 89 HA GLN 89 -9.675 3.401 8.396 617 HB2 GLN 89 1HB GLN 89 -11.833 3.947 6.424 618 HB3 GLN 89 2HB GLN 89 -10.935 2.446 6.241 619 HG2 GLN 89 1HG GLN 89 -11.457 1.970 8.655 620 HG3 GLN 89 2HG GLN 89 -12.557 3.347 8.603 621 HE21 GLN 89 1HE2 GLN 89 -14.082 1.601 9.211 622 HE22 GLN 89 2HE2 GLN 89 -14.844 0.717 7.938 623 H LEU 90 H LEU 90 -7.821 2.586 7.688 624 HA LEU 90 HA LEU 90 -6.594 3.725 5.301 625 HB2 LEU 90 1HB LEU 90 -4.999 3.724 6.927 626 HB3 LEU 90 2HB LEU 90 -5.637 2.277 7.704 627 HG LEU 90 HG LEU 90 -4.297 2.012 5.054 628 HD11 LEU 90 1HD1 LEU 90 -2.981 2.734 7.624 629 HD12 LEU 90 2HD1 LEU 90 -2.570 3.200 5.974 630 HD13 LEU 90 3HD1 LEU 90 -2.189 1.578 6.553 631 HD21 LEU 90 1HD2 LEU 90 -5.288 0.303 7.115 632 HD22 LEU 90 2HD2 LEU 90 -3.552 0.050 6.939 633 HD23 LEU 90 3HD2 LEU 90 -4.616 -0.128 5.543 634 H HIS 91 H HIS 91 -6.230 2.637 3.450 635 HA HIS 91 HA HIS 91 -6.810 -0.246 3.393 636 HB2 HIS 91 1HB HIS 91 -8.660 1.362 2.478 637 HB3 HIS 91 2HB HIS 91 -7.589 1.506 1.088 638 HD1 HIS 91 1HD HIS 91 -7.912 -0.200 -0.676 639 HD2 HIS 91 2HD HIS 91 -9.352 -1.483 3.004 640 HE1 HIS 91 1HE HIS 91 -9.000 -2.423 -1.118 641 HE2 HIS 91 2HE HIS 91 -9.939 -3.140 1.106 642 H LEU 92 H LEU 92 -4.956 -1.206 2.888 643 HA LEU 92 HA LEU 92 -3.379 -0.104 0.661 644 HB2 LEU 92 1HB LEU 92 -2.155 -1.468 3.043 645 HB3 LEU 92 2HB LEU 92 -1.338 -0.575 1.762 646 HG LEU 92 HG LEU 92 -3.181 0.705 3.775 647 HD11 LEU 92 1HD1 LEU 92 -0.919 1.578 4.661 648 HD12 LEU 92 2HD1 LEU 92 -0.240 0.161 3.861 649 HD13 LEU 92 3HD1 LEU 92 -1.451 -0.038 5.127 650 HD21 LEU 92 1HD2 LEU 92 -3.027 2.419 2.364 651 HD22 LEU 92 2HD2 LEU 92 -1.801 1.603 1.393 652 HD23 LEU 92 3HD2 LEU 92 -1.326 2.530 2.817 653 H VAL 93 H VAL 93 -3.194 -1.499 -0.952 654 HA VAL 93 HA VAL 93 -3.962 -4.259 -0.608 655 HB VAL 93 HB VAL 93 -2.803 -3.119 -3.134 656 HG11 VAL 93 1HG1 VAL 93 -3.927 -5.591 -2.388 657 HG12 VAL 93 2HG1 VAL 93 -5.095 -4.800 -3.449 658 HG13 VAL 93 3HG1 VAL 93 -3.439 -5.062 -3.998 659 HG21 VAL 93 1HG2 VAL 93 -5.323 -2.669 -3.648 660 HG22 VAL 93 2HG2 VAL 93 -5.461 -2.552 -1.893 661 HG23 VAL 93 3HG2 VAL 93 -4.375 -1.471 -2.766 662 H ILE 94 H ILE 94 -2.593 -5.767 0.051 663 HA ILE 94 HA ILE 94 0.197 -5.643 -0.874 664 HB ILE 94 HB ILE 94 -0.674 -6.447 1.904 665 HG12 ILE 94 1HG1 ILE 94 -0.768 -4.003 1.493 666 HG13 ILE 94 2HG1 ILE 94 0.470 -4.442 2.665 667 HG21 ILE 94 1HG2 ILE 94 1.557 -6.918 2.397 668 HG22 ILE 94 2HG2 ILE 94 1.320 -7.621 0.798 669 HG23 ILE 94 3HG2 ILE 94 2.148 -6.073 0.966 670 HD11 ILE 94 1HD1 ILE 94 0.770 -2.873 0.385 671 HD12 ILE 94 2HD1 ILE 94 2.043 -3.487 1.440 672 HD13 ILE 94 3HD1 ILE 94 1.565 -4.401 0.010 673 H ARG 95 H ARG 95 1.150 -7.583 -1.391 674 HA ARG 95 HA ARG 95 -0.557 -9.976 -1.187 675 HB2 ARG 95 1HB ARG 95 -0.609 -9.308 -3.478 676 HB3 ARG 95 2HB ARG 95 1.128 -9.034 -3.504 677 HG2 ARG 95 1HG ARG 95 1.520 -11.426 -3.252 678 HG3 ARG 95 2HG ARG 95 -0.221 -11.709 -3.201 679 HD2 ARG 95 1HD ARG 95 -0.414 -10.748 -5.464 680 HD3 ARG 95 2HD ARG 95 1.338 -10.550 -5.508 681 HE ARG 95 HE ARG 95 -0.112 -12.934 -6.021 682 HH11 ARG 95 2HH1 ARG 95 2.835 -11.744 -4.600 683 HH12 ARG 95 1HH1 ARG 95 3.716 -13.208 -4.884 684 HH21 ARG 95 2HH2 ARG 95 1.038 -14.867 -6.400 685 HH22 ARG 95 1HH2 ARG 95 2.694 -14.983 -5.909 686 H ARG 96 H ARG 96 0.505 -10.751 0.637 687 HA ARG 96 HA ARG 96 3.122 -10.848 1.290 688 HB2 ARG 96 1HB ARG 96 1.080 -11.915 2.463 689 HB3 ARG 96 2HB ARG 96 1.472 -13.349 1.524 690 HG2 ARG 96 1HG ARG 96 3.865 -12.964 2.534 691 HG3 ARG 96 2HG ARG 96 2.959 -12.081 3.764 692 HD2 ARG 96 1HD ARG 96 2.568 -14.955 2.941 693 HD3 ARG 96 2HD ARG 96 3.250 -14.375 4.459 694 HE ARG 96 HE ARG 96 0.468 -14.555 3.765 695 HH11 ARG 96 2HH1 ARG 96 2.817 -12.953 5.774 696 HH12 ARG 96 1HH1 ARG 96 1.668 -12.520 6.997 697 HH21 ARG 96 2HH2 ARG 96 -1.053 -13.991 5.368 698 HH22 ARG 96 1HH2 ARG 96 -0.533 -13.112 6.766 699 HA PRO 97 HA PRO 97 4.717 -12.896 -2.415 700 HB2 PRO 97 1HB PRO 97 7.285 -12.125 -1.991 701 HB3 PRO 97 2HB PRO 97 6.073 -11.068 -2.726 702 HG2 PRO 97 1HG PRO 97 7.052 -11.150 0.102 703 HG3 PRO 97 2HG PRO 97 6.732 -9.744 -0.931 704 HD2 PRO 97 1HD PRO 97 4.988 -10.589 0.961 705 HD3 PRO 97 2HD PRO 97 4.460 -9.825 -0.552 706 H LEU 98 H LEU 98 6.707 -14.362 -2.677 707 HA LEU 98 HA LEU 98 6.686 -16.259 -0.459 708 HB2 LEU 98 1HB LEU 98 7.270 -16.394 -3.364 709 HB3 LEU 98 2HB LEU 98 8.102 -17.539 -2.313 710 HG LEU 98 HG LEU 98 5.879 -18.305 -1.493 711 HD11 LEU 98 1HD1 LEU 98 3.916 -17.452 -2.201 712 HD12 LEU 98 2HD1 LEU 98 4.524 -17.104 -3.819 713 HD13 LEU 98 3HD1 LEU 98 4.894 -16.012 -2.485 714 HD21 LEU 98 1HD2 LEU 98 5.468 -19.722 -3.329 715 HD22 LEU 98 2HD2 LEU 98 7.192 -19.357 -3.392 716 HD23 LEU 98 3HD2 LEU 98 6.076 -18.535 -4.484 717 H SER 99 H SER 99 8.064 -15.162 0.984 718 HA SER 99 HA SER 99 10.877 -14.985 0.129 719 HB2 SER 99 1HB SER 99 9.236 -13.372 2.038 720 HB3 SER 99 2HB SER 99 10.964 -13.544 2.346 721 HG SER 99 HG SER 99 11.071 -11.925 0.994 722 H GLY 100 H GLY 100 11.694 -16.963 0.610 723 HA2 GLY 100 1HA GLY 100 12.917 -18.021 2.468 724 HA3 GLY 100 2HA GLY 100 11.457 -17.826 3.427 725 HA PRO 101 HA PRO 101 10.763 -21.383 0.174 726 HB2 PRO 101 1HB PRO 101 13.054 -22.552 -0.695 727 HB3 PRO 101 2HB PRO 101 12.278 -21.210 -1.544 728 HG2 PRO 101 1HG PRO 101 14.606 -21.168 0.337 729 HG3 PRO 101 2HG PRO 101 14.390 -20.302 -1.195 730 HD2 PRO 101 1HD PRO 101 14.019 -19.119 1.212 731 HD3 PRO 101 2HD PRO 101 13.089 -18.663 -0.230 732 H SER 102 H SER 102 10.035 -22.880 1.548 733 HA SER 102 HA SER 102 9.956 -24.383 3.273 734 HB2 SER 102 1HB SER 102 12.507 -25.252 1.893 735 HB3 SER 102 2HB SER 102 11.604 -26.231 3.048 736 HG SER 102 HG SER 102 11.208 -26.023 0.447 737 H SER 103 H SER 103 11.119 -21.908 4.022 738 HA SER 103 HA SER 103 12.827 -22.831 6.222 739 HB2 SER 103 1HB SER 103 13.372 -20.399 4.503 740 HB3 SER 103 2HB SER 103 14.244 -20.809 5.980 741 HG SER 103 HG SER 103 14.057 -22.681 3.891 742 H GLY 104 H GLY 104 13.049 -21.039 7.918 743 HA2 GLY 104 1HA GLY 104 11.875 -19.931 9.570 744 HA3 GLY 104 2HA GLY 104 11.462 -18.859 8.240 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -28.456 -10.633 7.556 2 HA2 GLY 1 1HA GLY 1 -27.011 -12.407 7.740 3 HA3 GLY 1 2HA GLY 1 -27.553 -12.895 6.141 4 H SER 2 H SER 2 -25.840 -13.248 4.901 5 HA SER 2 HA SER 2 -23.431 -11.644 5.258 6 HB2 SER 2 1HB SER 2 -23.905 -14.039 3.466 7 HB3 SER 2 2HB SER 2 -22.347 -13.288 3.812 8 HG SER 2 HG SER 2 -22.658 -15.098 5.132 9 H SER 3 H SER 3 -24.352 -9.689 4.394 10 HA SER 3 HA SER 3 -25.423 -9.451 1.812 11 HB2 SER 3 1HB SER 3 -24.852 -7.033 2.031 12 HB3 SER 3 2HB SER 3 -25.698 -7.674 3.440 13 HG SER 3 HG SER 3 -23.333 -8.047 4.148 14 H GLY 4 H GLY 4 -22.097 -8.989 2.987 15 HA2 GLY 4 1HA GLY 4 -21.197 -8.997 0.176 16 HA3 GLY 4 2HA GLY 4 -20.322 -8.245 1.502 17 H SER 5 H SER 5 -19.505 -10.300 -0.480 18 HA SER 5 HA SER 5 -19.022 -12.617 1.241 19 HB2 SER 5 1HB SER 5 -18.383 -12.245 -1.695 20 HB3 SER 5 2HB SER 5 -18.272 -13.751 -0.785 21 HG SER 5 HG SER 5 -20.464 -13.817 -0.618 22 H SER 6 H SER 6 -17.415 -12.018 2.625 23 HA SER 6 HA SER 6 -14.826 -11.348 1.390 24 HB2 SER 6 1HB SER 6 -15.910 -9.406 2.601 25 HB3 SER 6 2HB SER 6 -15.733 -10.335 4.090 26 HG SER 6 HG SER 6 -13.990 -8.769 3.404 27 H GLY 7 H GLY 7 -13.084 -12.483 2.083 28 HA2 GLY 7 1HA GLY 7 -12.327 -13.617 4.333 29 HA3 GLY 7 2HA GLY 7 -13.630 -14.712 3.898 30 H GLN 8 H GLN 8 -13.225 -14.718 1.096 31 HA GLN 8 HA GLN 8 -10.765 -16.313 0.986 32 HB2 GLN 8 1HB GLN 8 -11.730 -17.428 -0.931 33 HB3 GLN 8 2HB GLN 8 -12.890 -17.437 0.390 34 HG2 GLN 8 1HG GLN 8 -14.266 -16.849 -1.312 35 HG3 GLN 8 2HG GLN 8 -13.741 -15.246 -0.801 36 HE21 GLN 8 1HE2 GLN 8 -13.988 -14.257 -2.754 37 HE22 GLN 8 2HE2 GLN 8 -13.021 -14.620 -4.137 38 H ALA 9 H ALA 9 -9.046 -15.461 0.040 39 HA ALA 9 HA ALA 9 -9.275 -13.966 -2.415 40 HB1 ALA 9 1HB ALA 9 -9.069 -12.579 0.094 41 HB2 ALA 9 2HB ALA 9 -7.648 -12.265 -0.903 42 HB3 ALA 9 3HB ALA 9 -9.260 -11.928 -1.534 43 H SER 10 H SER 10 -7.862 -15.169 -3.533 44 HA SER 10 HA SER 10 -5.295 -15.867 -2.299 45 HB2 SER 10 1HB SER 10 -6.593 -17.718 -3.283 46 HB3 SER 10 2HB SER 10 -6.561 -16.904 -4.847 47 HG SER 10 HG SER 10 -4.458 -17.346 -5.058 48 H GLY 11 H GLY 11 -3.870 -14.252 -2.568 49 HA2 GLY 11 1HA GLY 11 -2.259 -13.636 -4.454 50 HA3 GLY 11 2HA GLY 11 -3.697 -12.986 -5.226 51 H HIS 12 H HIS 12 -4.384 -10.975 -4.709 52 HA HIS 12 HA HIS 12 -2.668 -9.440 -2.912 53 HB2 HIS 12 1HB HIS 12 -4.853 -8.339 -4.674 54 HB3 HIS 12 2HB HIS 12 -3.462 -7.490 -4.007 55 HD1 HIS 12 1HD HIS 12 -4.147 -7.559 -7.060 56 HD2 HIS 12 2HD HIS 12 -1.398 -10.027 -5.159 57 HE1 HIS 12 1HE HIS 12 -2.557 -8.306 -8.860 58 HE2 HIS 12 2HE HIS 12 -0.954 -9.866 -7.702 59 H PHE 13 H PHE 13 -3.487 -8.116 -1.255 60 HA PHE 13 HA PHE 13 -6.283 -8.496 -0.492 61 HB2 PHE 13 1HB PHE 13 -5.599 -8.978 1.860 62 HB3 PHE 13 2HB PHE 13 -5.159 -10.250 0.726 63 HD1 PHE 13 2HD PHE 13 -3.898 -7.543 2.848 64 HD2 PHE 13 1HD PHE 13 -2.863 -10.737 0.231 65 HE1 PHE 13 2HE PHE 13 -1.562 -7.406 3.610 66 HE2 PHE 13 1HE PHE 13 -0.526 -10.605 0.989 67 HZ PHE 13 HZ PHE 13 0.127 -8.937 2.679 68 H SER 14 H SER 14 -7.016 -6.967 1.131 69 HA SER 14 HA SER 14 -5.563 -4.431 0.913 70 HB2 SER 14 1HB SER 14 -7.800 -3.511 1.814 71 HB3 SER 14 2HB SER 14 -7.776 -4.137 0.166 72 HG SER 14 HG SER 14 -8.715 -6.035 0.907 73 H VAL 15 H VAL 15 -5.551 -2.990 2.802 74 HA VAL 15 HA VAL 15 -5.424 -4.491 5.337 75 HB VAL 15 HB VAL 15 -3.576 -2.280 4.430 76 HG11 VAL 15 1HG1 VAL 15 -3.602 -3.829 7.018 77 HG12 VAL 15 2HG1 VAL 15 -2.406 -2.623 6.539 78 HG13 VAL 15 3HG1 VAL 15 -4.079 -2.143 6.824 79 HG21 VAL 15 1HG2 VAL 15 -2.722 -5.046 5.169 80 HG22 VAL 15 2HG2 VAL 15 -3.346 -4.722 3.552 81 HG23 VAL 15 3HG2 VAL 15 -1.919 -3.864 4.135 82 H GLU 16 H GLU 16 -6.923 -3.800 6.703 83 HA GLU 16 HA GLU 16 -7.732 -0.970 6.598 84 HB2 GLU 16 1HB GLU 16 -9.386 -2.995 6.199 85 HB3 GLU 16 2HB GLU 16 -9.401 -3.040 7.956 86 HG2 GLU 16 1HG GLU 16 -11.224 -1.709 7.379 87 HG3 GLU 16 2HG GLU 16 -9.971 -0.566 7.859 88 H LEU 17 H LEU 17 -7.376 0.280 8.318 89 HA LEU 17 HA LEU 17 -6.975 -0.953 10.942 90 HB2 LEU 17 1HB LEU 17 -5.046 0.898 9.562 91 HB3 LEU 17 2HB LEU 17 -5.021 0.599 11.298 92 HG LEU 17 HG LEU 17 -4.725 -1.612 9.280 93 HD11 LEU 17 1HD1 LEU 17 -2.846 0.481 9.949 94 HD12 LEU 17 2HD1 LEU 17 -2.739 -0.784 8.724 95 HD13 LEU 17 3HD1 LEU 17 -2.228 -1.114 10.379 96 HD21 LEU 17 1HD2 LEU 17 -4.462 -2.955 11.041 97 HD22 LEU 17 2HD2 LEU 17 -5.146 -1.643 12.000 98 HD23 LEU 17 3HD2 LEU 17 -3.396 -1.813 11.860 99 H VAL 18 H VAL 18 -6.837 0.776 12.681 100 HA VAL 18 HA VAL 18 -8.711 2.953 12.017 101 HB VAL 18 HB VAL 18 -8.329 1.540 14.661 102 HG11 VAL 18 1HG1 VAL 18 -10.511 3.499 14.070 103 HG12 VAL 18 2HG1 VAL 18 -9.865 2.978 15.627 104 HG13 VAL 18 3HG1 VAL 18 -8.928 4.066 14.602 105 HG21 VAL 18 1HG2 VAL 18 -10.401 0.499 14.306 106 HG22 VAL 18 2HG2 VAL 18 -10.810 1.570 12.966 107 HG23 VAL 18 3HG2 VAL 18 -9.557 0.345 12.765 108 H ARG 19 H ARG 19 -7.908 4.936 12.124 109 HA ARG 19 HA ARG 19 -5.328 5.627 12.740 110 HB2 ARG 19 1HB ARG 19 -7.345 6.999 11.720 111 HB3 ARG 19 2HB ARG 19 -7.488 7.591 13.369 112 HG2 ARG 19 1HG ARG 19 -5.354 8.570 13.318 113 HG3 ARG 19 2HG ARG 19 -4.897 7.685 11.861 114 HD2 ARG 19 1HD ARG 19 -5.359 9.797 11.036 115 HD3 ARG 19 2HD ARG 19 -6.880 8.945 10.772 116 HE ARG 19 HE ARG 19 -7.863 10.467 12.144 117 HH11 ARG 19 2HH1 ARG 19 -4.491 10.260 12.986 118 HH12 ARG 19 1HH1 ARG 19 -4.584 11.494 14.198 119 HH21 ARG 19 2HH2 ARG 19 -7.998 12.093 13.738 120 HH22 ARG 19 1HH2 ARG 19 -6.579 12.535 14.626 121 H GLY 20 H GLY 20 -4.410 4.915 14.599 122 HA2 GLY 20 1HA GLY 20 -5.787 5.322 17.140 123 HA3 GLY 20 2HA GLY 20 -4.293 4.429 16.897 124 H TYR 21 H TYR 21 -2.475 5.368 17.547 125 HA TYR 21 HA TYR 21 -2.564 8.225 18.212 126 HB2 TYR 21 1HB TYR 21 -1.936 6.406 19.926 127 HB3 TYR 21 2HB TYR 21 -0.407 6.304 19.061 128 HD1 TYR 21 1HD TYR 21 -2.639 8.823 20.679 129 HD2 TYR 21 2HD TYR 21 1.342 7.671 19.719 130 HE1 TYR 21 1HE TYR 21 -1.782 10.721 21.987 131 HE2 TYR 21 2HE TYR 21 2.211 9.565 21.026 132 HH TYR 21 HH TYR 21 1.710 11.293 22.320 133 H ALA 22 H ALA 22 -1.381 9.671 17.135 134 HA ALA 22 HA ALA 22 0.083 10.599 15.660 135 HB1 ALA 22 1HB ALA 22 1.551 8.669 17.049 136 HB2 ALA 22 2HB ALA 22 1.969 8.451 15.349 137 HB3 ALA 22 3HB ALA 22 2.179 10.026 16.114 138 H GLY 23 H GLY 23 -2.136 9.271 14.599 139 HA2 GLY 23 1HA GLY 23 -2.865 8.856 12.435 140 HA3 GLY 23 2HA GLY 23 -1.188 8.804 11.912 141 H PHE 24 H PHE 24 -0.306 6.881 11.470 142 HA PHE 24 HA PHE 24 -1.699 4.472 12.434 143 HB2 PHE 24 1HB PHE 24 -0.671 5.088 9.669 144 HB3 PHE 24 2HB PHE 24 -0.959 3.437 10.208 145 HD1 PHE 24 1HD PHE 24 -3.333 2.987 11.210 146 HD2 PHE 24 2HD PHE 24 -2.374 6.247 8.647 147 HE1 PHE 24 1HE PHE 24 -5.707 3.202 10.600 148 HE2 PHE 24 2HE PHE 24 -4.746 6.468 8.034 149 HZ PHE 24 HZ PHE 24 -6.417 4.945 9.012 150 H GLY 25 H GLY 25 1.327 5.965 11.447 151 HA2 GLY 25 1HA GLY 25 3.420 5.577 12.421 152 HA3 GLY 25 2HA GLY 25 2.771 4.135 13.188 153 H LEU 26 H LEU 26 2.326 4.686 9.783 154 HA LEU 26 HA LEU 26 4.151 2.444 9.243 155 HB2 LEU 26 1HB LEU 26 1.649 2.341 8.675 156 HB3 LEU 26 2HB LEU 26 2.039 3.457 7.368 157 HG LEU 26 HG LEU 26 3.645 1.752 6.495 158 HD11 LEU 26 1HD1 LEU 26 3.373 0.590 8.954 159 HD12 LEU 26 2HD1 LEU 26 4.054 -0.187 7.525 160 HD13 LEU 26 3HD1 LEU 26 2.358 -0.435 7.939 161 HD21 LEU 26 1HD2 LEU 26 0.710 1.488 6.603 162 HD22 LEU 26 2HD2 LEU 26 1.593 0.076 6.023 163 HD23 LEU 26 3HD2 LEU 26 1.789 1.633 5.216 164 H THR 27 H THR 27 5.866 2.703 7.943 165 HA THR 27 HA THR 27 6.115 5.252 6.483 166 HB THR 27 HB THR 27 8.452 3.766 7.676 167 HG1 THR 27 1HG THR 27 6.750 4.724 9.191 168 HG21 THR 27 1HG2 THR 27 9.326 6.231 7.512 169 HG22 THR 27 2HG2 THR 27 8.040 6.394 6.316 170 HG23 THR 27 3HG2 THR 27 9.314 5.197 6.083 171 H LEU 28 H LEU 28 7.140 5.203 4.479 172 HA LEU 28 HA LEU 28 7.567 2.511 3.359 173 HB2 LEU 28 1HB LEU 28 6.150 4.896 2.312 174 HB3 LEU 28 2HB LEU 28 7.056 3.920 1.157 175 HG LEU 28 HG LEU 28 5.098 2.582 2.970 176 HD11 LEU 28 1HD1 LEU 28 3.291 3.007 1.426 177 HD12 LEU 28 2HD1 LEU 28 4.345 3.998 0.418 178 HD13 LEU 28 3HD1 LEU 28 3.918 4.536 2.042 179 HD21 LEU 28 1HD2 LEU 28 4.818 1.340 0.688 180 HD22 LEU 28 2HD2 LEU 28 6.216 1.014 1.713 181 HD23 LEU 28 3HD2 LEU 28 6.374 2.084 0.319 182 H GLY 29 H GLY 29 9.522 2.096 2.550 183 HA2 GLY 29 1HA GLY 29 11.321 4.392 2.075 184 HA3 GLY 29 2HA GLY 29 11.860 2.832 2.679 185 H GLY 30 H GLY 30 11.741 4.751 0.004 186 HA2 GLY 30 1HA GLY 30 12.963 3.829 -1.934 187 HA3 GLY 30 2HA GLY 30 11.941 2.407 -1.786 188 H GLY 31 H GLY 31 10.517 2.307 -3.384 189 HA2 GLY 31 1HA GLY 31 8.716 2.940 -4.692 190 HA3 GLY 31 2HA GLY 31 8.729 4.503 -3.890 191 H ARG 32 H ARG 32 8.195 4.970 -6.283 192 HA ARG 32 HA ARG 32 10.364 4.932 -8.142 193 HB2 ARG 32 1HB ARG 32 8.101 4.885 -8.975 194 HB3 ARG 32 2HB ARG 32 7.721 6.394 -8.156 195 HG2 ARG 32 1HG ARG 32 9.027 7.656 -9.644 196 HG3 ARG 32 2HG ARG 32 9.838 6.221 -10.275 197 HD2 ARG 32 1HD ARG 32 7.424 5.514 -10.970 198 HD3 ARG 32 2HD ARG 32 7.080 7.237 -10.813 199 HE ARG 32 HE ARG 32 9.355 7.014 -12.378 200 HH11 ARG 32 2HH1 ARG 32 6.014 6.048 -12.534 201 HH12 ARG 32 1HH1 ARG 32 5.940 6.115 -14.264 202 HH21 ARG 32 2HH2 ARG 32 9.271 7.105 -14.655 203 HH22 ARG 32 1HH2 ARG 32 7.794 6.716 -15.469 204 H ASP 33 H ASP 33 12.136 6.080 -7.648 205 HA ASP 33 HA ASP 33 11.769 8.929 -6.993 206 HB2 ASP 33 1HB ASP 33 12.609 7.683 -5.042 207 HB3 ASP 33 2HB ASP 33 13.968 7.102 -6.001 208 H VAL 34 H VAL 34 13.184 10.397 -7.943 209 HA VAL 34 HA VAL 34 14.020 9.878 -10.543 210 HB VAL 34 HB VAL 34 13.627 12.147 -9.534 211 HG11 VAL 34 1HG1 VAL 34 15.341 11.463 -7.619 212 HG12 VAL 34 2HG1 VAL 34 16.473 12.263 -8.711 213 HG13 VAL 34 3HG1 VAL 34 15.075 13.141 -8.090 214 HG21 VAL 34 1HG2 VAL 34 14.460 12.532 -11.585 215 HG22 VAL 34 2HG2 VAL 34 15.925 12.995 -10.719 216 HG23 VAL 34 3HG2 VAL 34 15.769 11.368 -11.381 217 H ALA 35 H ALA 35 15.641 9.337 -7.528 218 HA ALA 35 HA ALA 35 18.182 8.807 -8.892 219 HB1 ALA 35 1HB ALA 35 19.256 9.227 -6.942 220 HB2 ALA 35 2HB ALA 35 17.787 10.149 -6.620 221 HB3 ALA 35 3HB ALA 35 17.973 8.526 -5.954 222 H GLY 36 H GLY 36 15.821 7.057 -9.122 223 HA2 GLY 36 1HA GLY 36 16.603 4.618 -9.444 224 HA3 GLY 36 2HA GLY 36 16.756 4.660 -7.694 225 H ASP 37 H ASP 37 14.967 3.198 -9.712 226 HA ASP 37 HA ASP 37 12.379 3.930 -8.513 227 HB2 ASP 37 1HB ASP 37 11.328 2.839 -10.441 228 HB3 ASP 37 2HB ASP 37 12.431 4.110 -10.961 229 H THR 38 H THR 38 11.978 2.683 -6.806 230 HA THR 38 HA THR 38 12.410 -0.219 -7.081 231 HB THR 38 HB THR 38 12.744 -0.238 -4.565 232 HG1 THR 38 1HG THR 38 12.408 1.649 -3.665 233 HG21 THR 38 1HG2 THR 38 15.121 1.058 -5.030 234 HG22 THR 38 2HG2 THR 38 14.610 0.598 -6.654 235 HG23 THR 38 3HG2 THR 38 14.788 -0.633 -5.403 236 HA PRO 39 HA PRO 39 8.182 -0.760 -6.020 237 HB2 PRO 39 1HB PRO 39 8.277 -3.146 -4.729 238 HB3 PRO 39 2HB PRO 39 8.482 -2.992 -6.478 239 HG2 PRO 39 1HG PRO 39 10.563 -3.284 -4.345 240 HG3 PRO 39 2HG PRO 39 10.467 -4.072 -5.931 241 HD2 PRO 39 1HD PRO 39 12.067 -1.940 -5.459 242 HD3 PRO 39 2HD PRO 39 11.308 -2.233 -7.036 243 H LEU 40 H LEU 40 7.190 0.435 -4.525 244 HA LEU 40 HA LEU 40 8.137 1.156 -2.039 245 HB2 LEU 40 1HB LEU 40 5.407 1.021 -3.235 246 HB3 LEU 40 2HB LEU 40 5.578 1.405 -1.523 247 HG LEU 40 HG LEU 40 6.949 2.971 -3.700 248 HD11 LEU 40 1HD1 LEU 40 4.275 3.466 -2.401 249 HD12 LEU 40 2HD1 LEU 40 4.579 3.126 -4.104 250 HD13 LEU 40 3HD1 LEU 40 5.150 4.635 -3.391 251 HD21 LEU 40 1HD2 LEU 40 6.244 3.787 -0.891 252 HD22 LEU 40 2HD2 LEU 40 7.322 4.601 -2.026 253 HD23 LEU 40 3HD2 LEU 40 7.789 3.053 -1.320 254 H ALA 41 H ALA 41 8.423 0.121 -0.183 255 HA ALA 41 HA ALA 41 6.669 -2.104 0.532 256 HB1 ALA 41 1HB ALA 41 9.676 -2.345 0.498 257 HB2 ALA 41 2HB ALA 41 8.548 -3.552 1.116 258 HB3 ALA 41 3HB ALA 41 8.558 -3.153 -0.601 259 H VAL 42 H VAL 42 6.413 -2.405 2.727 260 HA VAL 42 HA VAL 42 6.587 -0.275 4.436 261 HB VAL 42 HB VAL 42 6.658 -3.214 5.121 262 HG11 VAL 42 1HG1 VAL 42 6.924 -2.712 7.267 263 HG12 VAL 42 2HG1 VAL 42 7.174 -1.022 6.823 264 HG13 VAL 42 3HG1 VAL 42 5.553 -1.605 7.204 265 HG21 VAL 42 1HG2 VAL 42 4.230 -2.548 5.791 266 HG22 VAL 42 2HG2 VAL 42 4.498 -1.193 4.694 267 HG23 VAL 42 3HG2 VAL 42 4.620 -2.849 4.098 268 H ARG 43 H ARG 43 8.229 0.808 5.282 269 HA ARG 43 HA ARG 43 10.884 -0.383 5.322 270 HB2 ARG 43 1HB ARG 43 10.314 1.991 4.493 271 HB3 ARG 43 2HB ARG 43 10.203 2.413 6.197 272 HG2 ARG 43 1HG ARG 43 12.646 1.049 5.155 273 HG3 ARG 43 2HG ARG 43 12.424 2.784 4.918 274 HD2 ARG 43 1HD ARG 43 12.586 3.250 7.157 275 HD3 ARG 43 2HD ARG 43 12.004 1.657 7.639 276 HE ARG 43 HE ARG 43 14.173 0.973 7.731 277 HH11 ARG 43 2HH1 ARG 43 13.981 3.739 5.625 278 HH12 ARG 43 1HH1 ARG 43 15.693 3.831 5.375 279 HH21 ARG 43 2HH2 ARG 43 16.428 1.085 7.410 280 HH22 ARG 43 1HH2 ARG 43 17.084 2.320 6.391 281 H GLY 44 H GLY 44 9.176 1.712 7.653 282 HA2 GLY 44 1HA GLY 44 10.230 -0.029 9.798 283 HA3 GLY 44 2HA GLY 44 10.106 1.718 9.950 284 H LEU 45 H LEU 45 8.969 -0.213 11.723 285 HA LEU 45 HA LEU 45 6.105 0.343 11.307 286 HB2 LEU 45 1HB LEU 45 7.518 -2.111 12.188 287 HB3 LEU 45 2HB LEU 45 5.982 -1.736 12.968 288 HG LEU 45 HG LEU 45 6.332 -2.015 9.986 289 HD11 LEU 45 1HD1 LEU 45 5.994 -4.024 12.098 290 HD12 LEU 45 2HD1 LEU 45 6.595 -4.195 10.449 291 HD13 LEU 45 3HD1 LEU 45 4.858 -4.154 10.755 292 HD21 LEU 45 1HD2 LEU 45 4.429 -0.637 10.794 293 HD22 LEU 45 2HD2 LEU 45 3.843 -2.041 11.687 294 HD23 LEU 45 3HD2 LEU 45 3.934 -2.091 9.926 295 H LEU 46 H LEU 46 5.657 2.018 12.598 296 HA LEU 46 HA LEU 46 6.927 2.973 14.785 297 HB2 LEU 46 1HB LEU 46 4.716 3.700 13.556 298 HB3 LEU 46 2HB LEU 46 3.952 2.869 14.910 299 HG LEU 46 HG LEU 46 4.173 5.342 15.182 300 HD11 LEU 46 1HD1 LEU 46 4.026 4.870 17.341 301 HD12 LEU 46 2HD1 LEU 46 5.767 4.598 17.419 302 HD13 LEU 46 3HD1 LEU 46 4.682 3.263 17.028 303 HD21 LEU 46 1HD2 LEU 46 7.094 4.830 15.651 304 HD22 LEU 46 2HD2 LEU 46 6.252 6.373 15.511 305 HD23 LEU 46 3HD2 LEU 46 6.478 5.359 14.085 306 H LYS 47 H LYS 47 7.411 2.267 16.752 307 HA LYS 47 HA LYS 47 6.729 -0.287 17.680 308 HB2 LYS 47 1HB LYS 47 8.698 1.212 18.363 309 HB3 LYS 47 2HB LYS 47 7.573 1.977 19.477 310 HG2 LYS 47 1HG LYS 47 7.844 -0.985 19.532 311 HG3 LYS 47 2HG LYS 47 9.119 0.006 20.246 312 HD2 LYS 47 1HD LYS 47 7.738 0.835 21.892 313 HD3 LYS 47 2HD LYS 47 6.274 0.580 20.939 314 HE2 LYS 47 1HE LYS 47 6.180 -1.041 22.631 315 HE3 LYS 47 2HE LYS 47 6.738 -1.912 21.203 316 HZ1 LYS 47 1HZ LYS 47 8.855 -2.110 22.042 317 HZ2 LYS 47 2HZ LYS 47 7.933 -2.251 23.453 318 HZ3 LYS 47 3HZ LYS 47 8.700 -0.788 23.087 319 H ASP 48 H ASP 48 5.047 -1.062 18.788 320 HA ASP 48 HA ASP 48 3.045 -1.181 19.861 321 HB2 ASP 48 1HB ASP 48 4.426 0.090 21.584 322 HB3 ASP 48 2HB ASP 48 3.649 1.553 20.987 323 H GLY 49 H GLY 49 2.946 -0.302 17.237 324 HA2 GLY 49 1HA GLY 49 0.945 1.860 17.270 325 HA3 GLY 49 2HA GLY 49 1.880 1.367 15.866 326 HA PRO 50 HA PRO 50 -2.406 -0.630 15.938 327 HB2 PRO 50 1HB PRO 50 -3.415 0.661 13.773 328 HB3 PRO 50 2HB PRO 50 -3.574 1.280 15.421 329 HG2 PRO 50 1HG PRO 50 -1.622 2.054 13.287 330 HG3 PRO 50 2HG PRO 50 -2.524 3.091 14.407 331 HD2 PRO 50 1HD PRO 50 0.072 2.431 14.802 332 HD3 PRO 50 2HD PRO 50 -1.058 2.704 16.144 333 H ALA 51 H ALA 51 -0.007 0.109 13.502 334 HA ALA 51 HA ALA 51 -0.926 -1.972 11.707 335 HB1 ALA 51 1HB ALA 51 -0.051 -0.018 10.664 336 HB2 ALA 51 2HB ALA 51 1.434 -0.104 11.613 337 HB3 ALA 51 3HB ALA 51 1.101 -1.325 10.384 338 H GLN 52 H GLN 52 1.943 -1.354 13.721 339 HA GLN 52 HA GLN 52 3.254 -3.775 13.172 340 HB2 GLN 52 1HB GLN 52 4.396 -1.874 14.193 341 HB3 GLN 52 2HB GLN 52 3.399 -2.026 15.634 342 HG2 GLN 52 1HG GLN 52 5.653 -2.946 15.934 343 HG3 GLN 52 2HG GLN 52 4.389 -4.156 16.153 344 HE21 GLN 52 1HE2 GLN 52 7.325 -3.600 14.809 345 HE22 GLN 52 2HE2 GLN 52 7.321 -4.815 13.581 346 H ARG 53 H ARG 53 0.858 -2.902 15.603 347 HA ARG 53 HA ARG 53 1.019 -5.328 17.072 348 HB2 ARG 53 1HB ARG 53 -0.971 -3.089 16.913 349 HB3 ARG 53 2HB ARG 53 -1.364 -4.555 17.801 350 HG2 ARG 53 1HG ARG 53 0.343 -4.204 19.363 351 HG3 ARG 53 2HG ARG 53 1.152 -3.018 18.337 352 HD2 ARG 53 1HD ARG 53 0.127 -1.633 19.849 353 HD3 ARG 53 2HD ARG 53 -1.112 -1.718 18.598 354 HE ARG 53 HE ARG 53 -2.481 -2.646 20.156 355 HH11 ARG 53 2HH1 ARG 53 0.811 -3.342 21.049 356 HH12 ARG 53 1HH1 ARG 53 0.378 -4.165 22.511 357 HH21 ARG 53 2HH2 ARG 53 -3.064 -3.727 22.078 358 HH22 ARG 53 1HH2 ARG 53 -1.827 -4.384 23.095 359 H CYS 54 H CYS 54 -1.189 -4.172 14.540 360 HA CYS 54 HA CYS 54 -2.919 -6.337 14.450 361 HB2 CYS 54 1HB CYS 54 -2.866 -4.052 13.126 362 HB3 CYS 54 2HB CYS 54 -2.081 -5.032 11.894 363 HG CYS 54 HG CYS 54 -4.491 -6.897 12.499 364 H GLY 55 H GLY 55 0.285 -5.959 13.054 365 HA2 GLY 55 1HA GLY 55 1.764 -7.665 12.481 366 HA3 GLY 55 2HA GLY 55 0.465 -8.829 12.697 367 H ARG 56 H ARG 56 -1.437 -7.722 10.961 368 HA ARG 56 HA ARG 56 -1.045 -8.941 8.603 369 HB2 ARG 56 1HB ARG 56 -2.407 -6.284 9.059 370 HB3 ARG 56 2HB ARG 56 -2.522 -7.187 7.554 371 HG2 ARG 56 1HG ARG 56 -3.516 -9.070 8.786 372 HG3 ARG 56 2HG ARG 56 -3.451 -8.110 10.265 373 HD2 ARG 56 1HD ARG 56 -4.817 -6.372 8.999 374 HD3 ARG 56 2HD ARG 56 -5.090 -7.628 7.792 375 HE ARG 56 HE ARG 56 -6.337 -7.404 10.352 376 HH11 ARG 56 2HH1 ARG 56 -5.276 -9.665 7.926 377 HH12 ARG 56 1HH1 ARG 56 -6.417 -10.887 8.379 378 HH21 ARG 56 2HH2 ARG 56 -7.844 -9.006 10.958 379 HH22 ARG 56 1HH2 ARG 56 -7.878 -10.511 10.104 380 H LEU 57 H LEU 57 0.250 -5.790 9.488 381 HA LEU 57 HA LEU 57 1.661 -5.667 6.911 382 HB2 LEU 57 1HB LEU 57 0.745 -3.610 8.862 383 HB3 LEU 57 2HB LEU 57 2.154 -3.265 7.861 384 HG LEU 57 HG LEU 57 -0.559 -4.003 6.770 385 HD11 LEU 57 1HD1 LEU 57 0.716 -1.304 7.179 386 HD12 LEU 57 2HD1 LEU 57 -0.772 -1.905 7.910 387 HD13 LEU 57 3HD1 LEU 57 -0.705 -1.596 6.175 388 HD21 LEU 57 1HD2 LEU 57 1.027 -2.526 4.962 389 HD22 LEU 57 2HD2 LEU 57 0.504 -4.206 4.835 390 HD23 LEU 57 3HD2 LEU 57 2.041 -3.817 5.609 391 H GLU 58 H GLU 58 3.754 -6.126 6.866 392 HA GLU 58 HA GLU 58 5.383 -5.639 9.254 393 HB2 GLU 58 1HB GLU 58 5.426 -8.210 7.664 394 HB3 GLU 58 2HB GLU 58 6.499 -7.809 8.998 395 HG2 GLU 58 1HG GLU 58 4.292 -7.531 10.340 396 HG3 GLU 58 2HG GLU 58 3.601 -8.509 9.046 397 H VAL 59 H VAL 59 7.695 -5.571 8.809 398 HA VAL 59 HA VAL 59 8.333 -3.981 6.602 399 HB VAL 59 HB VAL 59 10.239 -5.661 8.237 400 HG11 VAL 59 1HG1 VAL 59 10.819 -4.366 5.947 401 HG12 VAL 59 2HG1 VAL 59 11.068 -3.066 7.114 402 HG13 VAL 59 3HG1 VAL 59 11.965 -4.577 7.270 403 HG21 VAL 59 1HG2 VAL 59 8.601 -3.453 8.988 404 HG22 VAL 59 2HG2 VAL 59 9.786 -4.329 9.956 405 HG23 VAL 59 3HG2 VAL 59 10.287 -2.937 8.997 406 H GLY 60 H GLY 60 8.800 -4.424 4.544 407 HA2 GLY 60 1HA GLY 60 10.111 -5.813 2.992 408 HA3 GLY 60 2HA GLY 60 9.491 -7.213 3.854 409 H ASP 61 H ASP 61 6.787 -6.176 4.064 410 HA ASP 61 HA ASP 61 5.538 -7.343 1.957 411 HB2 ASP 61 1HB ASP 61 4.699 -5.008 3.661 412 HB3 ASP 61 2HB ASP 61 3.637 -5.655 2.413 413 H LEU 62 H LEU 62 4.613 -6.662 -0.005 414 HA LEU 62 HA LEU 62 5.923 -4.302 -1.182 415 HB2 LEU 62 1HB LEU 62 4.791 -6.654 -2.676 416 HB3 LEU 62 2HB LEU 62 5.829 -5.376 -3.304 417 HG LEU 62 HG LEU 62 6.736 -7.371 -1.238 418 HD11 LEU 62 1HD1 LEU 62 7.796 -8.602 -3.023 419 HD12 LEU 62 2HD1 LEU 62 7.156 -7.477 -4.221 420 HD13 LEU 62 3HD1 LEU 62 6.058 -8.516 -3.313 421 HD21 LEU 62 1HD2 LEU 62 8.170 -5.539 -1.172 422 HD22 LEU 62 2HD2 LEU 62 8.068 -5.273 -2.913 423 HD23 LEU 62 3HD2 LEU 62 8.973 -6.650 -2.283 424 H VAL 63 H VAL 63 4.678 -2.652 -1.762 425 HA VAL 63 HA VAL 63 1.784 -2.953 -1.661 426 HB VAL 63 HB VAL 63 3.256 -0.387 -2.207 427 HG11 VAL 63 1HG1 VAL 63 1.298 0.641 -1.233 428 HG12 VAL 63 2HG1 VAL 63 0.807 -0.457 -2.524 429 HG13 VAL 63 3HG1 VAL 63 0.627 -0.940 -0.837 430 HG21 VAL 63 1HG2 VAL 63 2.829 -0.174 0.407 431 HG22 VAL 63 2HG2 VAL 63 3.047 -1.922 0.324 432 HG23 VAL 63 3HG2 VAL 63 4.323 -0.846 -0.247 433 H LEU 64 H LEU 64 0.546 -3.155 -3.404 434 HA LEU 64 HA LEU 64 1.735 -2.586 -6.034 435 HB2 LEU 64 1HB LEU 64 -0.511 -4.429 -5.237 436 HB3 LEU 64 2HB LEU 64 -0.052 -4.096 -6.905 437 HG LEU 64 HG LEU 64 2.294 -4.956 -6.112 438 HD11 LEU 64 1HD1 LEU 64 0.609 -6.615 -4.286 439 HD12 LEU 64 2HD1 LEU 64 1.311 -5.102 -3.715 440 HD13 LEU 64 3HD1 LEU 64 2.358 -6.392 -4.306 441 HD21 LEU 64 1HD2 LEU 64 1.823 -6.929 -7.168 442 HD22 LEU 64 2HD2 LEU 64 0.441 -5.964 -7.688 443 HD23 LEU 64 3HD2 LEU 64 0.264 -7.117 -6.364 444 H HIS 65 H HIS 65 -0.818 -1.762 -3.865 445 HA HIS 65 HA HIS 65 -1.620 0.418 -5.579 446 HB2 HIS 65 1HB HIS 65 -3.681 -1.636 -4.750 447 HB3 HIS 65 2HB HIS 65 -3.982 -0.160 -5.662 448 HD1 HIS 65 1HD HIS 65 -2.475 -0.123 -8.034 449 HD2 HIS 65 2HD HIS 65 -3.462 -3.792 -6.352 450 HE1 HIS 65 1HE HIS 65 -2.242 -1.800 -9.893 451 HE2 HIS 65 2HE HIS 65 -2.927 -3.999 -8.874 452 H ILE 66 H ILE 66 -3.533 1.629 -4.445 453 HA ILE 66 HA ILE 66 -3.582 1.365 -1.570 454 HB ILE 66 HB ILE 66 -2.359 3.818 -2.839 455 HG12 ILE 66 1HG1 ILE 66 -1.222 1.775 -0.918 456 HG13 ILE 66 2HG1 ILE 66 -0.799 1.937 -2.619 457 HG21 ILE 66 1HG2 ILE 66 -2.932 4.990 -1.044 458 HG22 ILE 66 2HG2 ILE 66 -3.912 3.625 -0.511 459 HG23 ILE 66 3HG2 ILE 66 -2.238 3.771 0.024 460 HD11 ILE 66 1HD1 ILE 66 0.354 3.219 -0.380 461 HD12 ILE 66 2HD1 ILE 66 0.784 3.377 -2.084 462 HD13 ILE 66 3HD1 ILE 66 -0.418 4.454 -1.374 463 H ASN 67 H ASN 67 -5.448 2.113 -0.738 464 HA ASN 67 HA ASN 67 -7.630 2.795 -0.759 465 HB2 ASN 67 1HB ASN 67 -6.703 5.231 -2.255 466 HB3 ASN 67 2HB ASN 67 -7.898 5.112 -0.967 467 HD21 ASN 67 1HD2 ASN 67 -6.800 4.005 1.078 468 HD22 ASN 67 2HD2 ASN 67 -5.353 4.798 1.589 469 H GLY 68 H GLY 68 -7.115 1.058 -2.855 470 HA2 GLY 68 1HA GLY 68 -8.038 0.313 -4.819 471 HA3 GLY 68 2HA GLY 68 -9.317 1.483 -4.531 472 H GLU 69 H GLU 69 -5.932 2.319 -4.954 473 HA GLU 69 HA GLU 69 -6.635 3.560 -7.533 474 HB2 GLU 69 1HB GLU 69 -4.733 4.559 -5.407 475 HB3 GLU 69 2HB GLU 69 -4.907 5.278 -7.002 476 HG2 GLU 69 1HG GLU 69 -7.135 5.954 -6.549 477 HG3 GLU 69 2HG GLU 69 -7.188 5.004 -5.065 478 H SER 70 H SER 70 -4.539 4.091 -8.809 479 HA SER 70 HA SER 70 -2.921 1.636 -8.843 480 HB2 SER 70 1HB SER 70 -2.434 2.260 -11.218 481 HB3 SER 70 2HB SER 70 -4.145 1.967 -10.903 482 HG SER 70 HG SER 70 -4.260 3.849 -11.900 483 H THR 71 H THR 71 -1.068 1.922 -7.784 484 HA THR 71 HA THR 71 0.219 4.493 -7.614 485 HB THR 71 HB THR 71 0.295 2.995 -5.691 486 HG1 THR 71 1HG THR 71 2.160 3.902 -5.315 487 HG21 THR 71 1HG2 THR 71 0.322 0.876 -7.020 488 HG22 THR 71 2HG2 THR 71 1.496 0.917 -5.704 489 HG23 THR 71 3HG2 THR 71 2.025 1.177 -7.366 490 H GLN 72 H GLN 72 -0.004 2.623 -10.148 491 HA GLN 72 HA GLN 72 2.576 1.938 -10.961 492 HB2 GLN 72 1HB GLN 72 0.459 1.245 -12.088 493 HB3 GLN 72 2HB GLN 72 0.318 2.872 -12.740 494 HG2 GLN 72 1HG GLN 72 2.585 2.503 -13.794 495 HG3 GLN 72 2HG GLN 72 2.406 0.806 -13.352 496 HE21 GLN 72 1HE2 GLN 72 2.641 1.895 -15.988 497 HE22 GLN 72 2HE2 GLN 72 1.195 1.485 -16.839 498 H GLY 73 H GLY 73 0.932 5.015 -10.926 499 HA2 GLY 73 1HA GLY 73 3.371 6.250 -12.047 500 HA3 GLY 73 2HA GLY 73 1.762 6.829 -12.453 501 H LEU 74 H LEU 74 2.361 5.762 -9.223 502 HA LEU 74 HA LEU 74 2.360 8.571 -8.334 503 HB2 LEU 74 1HB LEU 74 1.303 6.143 -6.893 504 HB3 LEU 74 2HB LEU 74 1.264 7.799 -6.293 505 HG LEU 74 HG LEU 74 -0.215 6.804 -8.728 506 HD11 LEU 74 1HD1 LEU 74 -2.157 7.444 -7.045 507 HD12 LEU 74 2HD1 LEU 74 -0.937 6.987 -5.857 508 HD13 LEU 74 3HD1 LEU 74 -1.448 5.829 -7.085 509 HD21 LEU 74 1HD2 LEU 74 -0.224 9.447 -7.278 510 HD22 LEU 74 2HD2 LEU 74 -1.400 8.978 -8.507 511 HD23 LEU 74 3HD2 LEU 74 0.305 9.138 -8.932 512 H THR 75 H THR 75 3.916 9.255 -6.973 513 HA THR 75 HA THR 75 6.097 7.415 -6.401 514 HB THR 75 HB THR 75 7.268 9.498 -5.586 515 HG1 THR 75 1HG THR 75 5.023 10.560 -5.403 516 HG21 THR 75 1HG2 THR 75 6.250 9.821 -8.399 517 HG22 THR 75 2HG2 THR 75 7.365 8.531 -7.948 518 HG23 THR 75 3HG2 THR 75 7.842 10.218 -7.755 519 H HIS 76 H HIS 76 7.247 8.227 -4.169 520 HA HIS 76 HA HIS 76 5.830 7.033 -2.110 521 HB2 HIS 76 1HB HIS 76 8.196 7.274 -1.900 522 HB3 HIS 76 2HB HIS 76 8.095 9.027 -2.038 523 HD1 HIS 76 1HD HIS 76 7.871 10.319 0.093 524 HD2 HIS 76 2HD HIS 76 7.153 6.260 0.616 525 HE1 HIS 76 1HE HIS 76 7.673 9.986 2.578 526 HE2 HIS 76 2HE HIS 76 7.324 7.509 2.874 527 H ALA 77 H ALA 77 6.312 10.521 -2.663 528 HA ALA 77 HA ALA 77 4.773 11.459 -0.545 529 HB1 ALA 77 1HB ALA 77 4.619 13.046 -3.017 530 HB2 ALA 77 2HB ALA 77 5.159 13.504 -1.401 531 HB3 ALA 77 3HB ALA 77 6.248 12.634 -2.480 532 H GLN 78 H GLN 78 3.792 10.762 -3.891 533 HA GLN 78 HA GLN 78 1.115 11.548 -3.645 534 HB2 GLN 78 1HB GLN 78 2.422 9.511 -5.448 535 HB3 GLN 78 2HB GLN 78 0.740 10.000 -5.601 536 HG2 GLN 78 1HG GLN 78 3.140 11.797 -5.867 537 HG3 GLN 78 2HG GLN 78 2.145 11.181 -7.185 538 HE21 GLN 78 1HE2 GLN 78 2.769 13.927 -6.030 539 HE22 GLN 78 2HE2 GLN 78 1.217 14.669 -5.872 540 H ALA 79 H ALA 79 2.414 8.222 -3.619 541 HA ALA 79 HA ALA 79 0.140 6.854 -2.940 542 HB1 ALA 79 1HB ALA 79 1.750 5.329 -3.276 543 HB2 ALA 79 2HB ALA 79 3.019 6.378 -2.643 544 HB3 ALA 79 3HB ALA 79 1.999 5.459 -1.535 545 H VAL 80 H VAL 80 2.457 8.362 -0.702 546 HA VAL 80 HA VAL 80 1.194 7.598 1.682 547 HB VAL 80 HB VAL 80 2.865 10.056 1.133 548 HG11 VAL 80 1HG1 VAL 80 2.222 8.752 3.775 549 HG12 VAL 80 2HG1 VAL 80 3.213 10.189 3.517 550 HG13 VAL 80 3HG1 VAL 80 1.483 10.236 3.177 551 HG21 VAL 80 1HG2 VAL 80 3.615 7.419 0.996 552 HG22 VAL 80 2HG2 VAL 80 4.697 8.780 1.292 553 HG23 VAL 80 3HG2 VAL 80 4.045 7.860 2.648 554 H GLU 81 H GLU 81 0.962 10.662 -0.128 555 HA GLU 81 HA GLU 81 -0.844 11.985 1.484 556 HB2 GLU 81 1HB GLU 81 0.380 12.672 -0.754 557 HB3 GLU 81 2HB GLU 81 -1.148 12.194 -1.481 558 HG2 GLU 81 1HG GLU 81 -1.576 14.391 -1.142 559 HG3 GLU 81 2HG GLU 81 -2.128 13.756 0.407 560 H ARG 82 H ARG 82 -1.499 9.661 -1.107 561 HA ARG 82 HA ARG 82 -4.266 9.857 -1.198 562 HB2 ARG 82 1HB ARG 82 -2.442 7.496 -1.649 563 HB3 ARG 82 2HB ARG 82 -4.173 7.436 -1.952 564 HG2 ARG 82 1HG ARG 82 -2.288 9.383 -3.260 565 HG3 ARG 82 2HG ARG 82 -2.808 7.856 -3.975 566 HD2 ARG 82 1HD ARG 82 -4.343 9.260 -4.913 567 HD3 ARG 82 2HD ARG 82 -5.203 8.826 -3.436 568 HE ARG 82 HE ARG 82 -3.592 11.148 -3.080 569 HH11 ARG 82 2HH1 ARG 82 -6.615 10.016 -4.384 570 HH12 ARG 82 1HH1 ARG 82 -7.411 11.545 -4.212 571 HH21 ARG 82 2HH2 ARG 82 -4.629 13.166 -2.849 572 HH22 ARG 82 1HH2 ARG 82 -6.281 13.336 -3.339 573 H ILE 83 H ILE 83 -2.239 7.797 0.866 574 HA ILE 83 HA ILE 83 -4.252 6.388 2.165 575 HB ILE 83 HB ILE 83 -1.640 7.311 3.366 576 HG12 ILE 83 1HG1 ILE 83 -2.187 4.639 2.087 577 HG13 ILE 83 2HG1 ILE 83 -1.591 6.005 1.150 578 HG21 ILE 83 1HG2 ILE 83 -2.158 6.157 5.193 579 HG22 ILE 83 2HG2 ILE 83 -3.795 6.004 4.557 580 HG23 ILE 83 3HG2 ILE 83 -2.605 4.742 4.240 581 HD11 ILE 83 1HD1 ILE 83 0.297 4.739 1.722 582 HD12 ILE 83 2HD1 ILE 83 0.313 6.127 2.811 583 HD13 ILE 83 3HD1 ILE 83 -0.232 4.554 3.394 584 H ARG 84 H ARG 84 -2.555 9.273 3.409 585 HA ARG 84 HA ARG 84 -4.111 9.716 5.644 586 HB2 ARG 84 1HB ARG 84 -2.654 11.640 3.839 587 HB3 ARG 84 2HB ARG 84 -3.471 12.167 5.305 588 HG2 ARG 84 1HG ARG 84 -2.042 10.324 6.450 589 HG3 ARG 84 2HG ARG 84 -1.043 10.462 5.001 590 HD2 ARG 84 1HD ARG 84 -0.086 11.948 6.547 591 HD3 ARG 84 2HD ARG 84 -1.018 12.965 5.448 592 HE ARG 84 HE ARG 84 -2.563 12.218 7.709 593 HH11 ARG 84 2HH1 ARG 84 -0.014 14.355 6.682 594 HH12 ARG 84 1HH1 ARG 84 -0.357 15.554 7.885 595 HH21 ARG 84 2HH2 ARG 84 -3.025 13.789 9.297 596 HH22 ARG 84 1HH2 ARG 84 -2.069 15.231 9.372 597 H ALA 85 H ALA 85 -4.583 11.056 2.380 598 HA ALA 85 HA ALA 85 -6.914 12.511 2.953 599 HB1 ALA 85 1HB ALA 85 -7.055 11.639 0.271 600 HB2 ALA 85 2HB ALA 85 -6.509 13.200 0.885 601 HB3 ALA 85 3HB ALA 85 -5.351 11.890 0.651 602 H GLY 86 H GLY 86 -6.390 9.131 2.304 603 HA2 GLY 86 1HA GLY 86 -8.823 8.240 1.410 604 HA3 GLY 86 2HA GLY 86 -7.815 7.337 2.532 605 H GLY 87 H GLY 87 -8.008 9.301 4.664 606 HA2 GLY 87 1HA GLY 87 -9.986 10.315 5.828 607 HA3 GLY 87 2HA GLY 87 -10.819 8.818 5.437 608 HA PRO 88 HA PRO 88 -9.201 8.354 9.722 609 HB2 PRO 88 1HB PRO 88 -11.404 7.062 10.645 610 HB3 PRO 88 2HB PRO 88 -11.279 8.824 10.583 611 HG2 PRO 88 1HG PRO 88 -12.635 6.954 8.680 612 HG3 PRO 88 2HG PRO 88 -13.202 8.509 9.315 613 HD2 PRO 88 1HD PRO 88 -12.119 8.250 6.846 614 HD3 PRO 88 2HD PRO 88 -11.935 9.723 7.820 615 H GLN 89 H GLN 89 -10.345 6.221 7.268 616 HA GLN 89 HA GLN 89 -9.168 3.912 8.662 617 HB2 GLN 89 1HB GLN 89 -11.390 4.189 6.691 618 HB3 GLN 89 2HB GLN 89 -10.445 2.706 6.679 619 HG2 GLN 89 1HG GLN 89 -10.955 2.406 9.076 620 HG3 GLN 89 2HG GLN 89 -11.983 3.836 9.004 621 HE21 GLN 89 1HE2 GLN 89 -13.217 1.709 9.858 622 HE22 GLN 89 2HE2 GLN 89 -14.227 0.997 8.652 623 H LEU 90 H LEU 90 -7.403 2.951 7.857 624 HA LEU 90 HA LEU 90 -6.212 4.084 5.449 625 HB2 LEU 90 1HB LEU 90 -4.614 4.026 7.097 626 HB3 LEU 90 2HB LEU 90 -5.216 2.515 7.775 627 HG LEU 90 HG LEU 90 -3.943 2.453 5.083 628 HD11 LEU 90 1HD1 LEU 90 -1.860 2.897 5.754 629 HD12 LEU 90 2HD1 LEU 90 -2.072 2.050 7.287 630 HD13 LEU 90 3HD1 LEU 90 -2.620 3.718 7.118 631 HD21 LEU 90 1HD2 LEU 90 -3.796 0.248 5.475 632 HD22 LEU 90 2HD2 LEU 90 -5.013 0.560 6.713 633 HD23 LEU 90 3HD2 LEU 90 -3.307 0.475 7.155 634 H HIS 91 H HIS 91 -5.966 3.019 3.572 635 HA HIS 91 HA HIS 91 -6.619 0.151 3.504 636 HB2 HIS 91 1HB HIS 91 -8.436 1.832 2.648 637 HB3 HIS 91 2HB HIS 91 -7.395 1.946 1.232 638 HD1 HIS 91 1HD HIS 91 -7.542 0.089 -0.453 639 HD2 HIS 91 2HD HIS 91 -9.499 -0.814 3.099 640 HE1 HIS 91 1HE HIS 91 -8.792 -2.047 -0.898 641 HE2 HIS 91 2HE HIS 91 -10.036 -2.528 1.238 642 H LEU 92 H LEU 92 -4.833 -0.882 2.914 643 HA LEU 92 HA LEU 92 -3.285 0.179 0.653 644 HB2 LEU 92 1HB LEU 92 -2.045 -1.138 3.058 645 HB3 LEU 92 2HB LEU 92 -1.214 -0.376 1.703 646 HG LEU 92 HG LEU 92 -2.907 1.099 3.718 647 HD11 LEU 92 1HD1 LEU 92 -0.204 0.107 3.883 648 HD12 LEU 92 2HD1 LEU 92 -1.188 0.907 5.108 649 HD13 LEU 92 3HD1 LEU 92 -0.245 1.869 3.969 650 HD21 LEU 92 1HD2 LEU 92 -1.285 2.935 2.630 651 HD22 LEU 92 2HD2 LEU 92 -2.890 2.568 1.999 652 HD23 LEU 92 3HD2 LEU 92 -1.463 1.848 1.252 653 H VAL 93 H VAL 93 -2.599 -1.305 -0.818 654 HA VAL 93 HA VAL 93 -3.577 -4.042 -0.445 655 HB VAL 93 HB VAL 93 -2.545 -2.850 -3.013 656 HG11 VAL 93 1HG1 VAL 93 -4.026 -4.598 -3.998 657 HG12 VAL 93 2HG1 VAL 93 -2.680 -5.242 -3.055 658 HG13 VAL 93 3HG1 VAL 93 -4.305 -5.211 -2.368 659 HG21 VAL 93 1HG2 VAL 93 -5.213 -2.575 -1.704 660 HG22 VAL 93 2HG2 VAL 93 -4.277 -1.385 -2.608 661 HG23 VAL 93 3HG2 VAL 93 -5.116 -2.681 -3.462 662 H ILE 94 H ILE 94 -2.225 -5.668 -0.075 663 HA ILE 94 HA ILE 94 0.596 -5.372 -0.859 664 HB ILE 94 HB ILE 94 -0.381 -6.560 1.740 665 HG12 ILE 94 1HG1 ILE 94 -0.501 -4.112 1.731 666 HG13 ILE 94 2HG1 ILE 94 0.787 -4.669 2.793 667 HG21 ILE 94 1HG2 ILE 94 2.444 -6.133 0.782 668 HG22 ILE 94 2HG2 ILE 94 1.937 -6.886 2.293 669 HG23 ILE 94 3HG2 ILE 94 1.599 -7.681 0.755 670 HD11 ILE 94 1HD1 ILE 94 2.230 -3.399 1.711 671 HD12 ILE 94 2HD1 ILE 94 1.882 -4.257 0.209 672 HD13 ILE 94 3HD1 ILE 94 0.936 -2.837 0.653 673 H ARG 95 H ARG 95 1.656 -7.244 -1.500 674 HA ARG 95 HA ARG 95 0.002 -9.669 -1.715 675 HB2 ARG 95 1HB ARG 95 -0.057 -8.748 -3.899 676 HB3 ARG 95 2HB ARG 95 1.651 -8.333 -3.852 677 HG2 ARG 95 1HG ARG 95 2.104 -10.826 -3.730 678 HG3 ARG 95 2HG ARG 95 0.404 -11.044 -4.154 679 HD2 ARG 95 1HD ARG 95 1.439 -11.115 -6.220 680 HD3 ARG 95 2HD ARG 95 0.947 -9.426 -6.106 681 HE ARG 95 HE ARG 95 3.439 -9.348 -5.124 682 HH11 ARG 95 2HH1 ARG 95 2.118 -10.800 -7.999 683 HH12 ARG 95 1HH1 ARG 95 3.574 -10.614 -8.919 684 HH21 ARG 95 2HH2 ARG 95 5.362 -9.098 -6.325 685 HH22 ARG 95 1HH2 ARG 95 5.419 -9.647 -7.966 686 H ARG 96 H ARG 96 0.992 -10.887 -0.187 687 HA ARG 96 HA ARG 96 3.605 -10.929 0.607 688 HB2 ARG 96 1HB ARG 96 1.562 -12.280 1.463 689 HB3 ARG 96 2HB ARG 96 2.089 -13.505 0.316 690 HG2 ARG 96 1HG ARG 96 4.055 -13.925 1.468 691 HG3 ARG 96 2HG ARG 96 4.005 -12.376 2.313 692 HD2 ARG 96 1HD ARG 96 1.818 -14.351 2.764 693 HD3 ARG 96 2HD ARG 96 3.377 -14.605 3.547 694 HE ARG 96 HE ARG 96 2.646 -11.978 4.043 695 HH11 ARG 96 2HH1 ARG 96 1.444 -15.169 4.746 696 HH12 ARG 96 1HH1 ARG 96 0.692 -14.699 6.235 697 HH21 ARG 96 2HH2 ARG 96 1.661 -11.348 6.002 698 HH22 ARG 96 1HH2 ARG 96 0.815 -12.525 6.948 699 HA PRO 97 HA PRO 97 5.478 -12.199 -3.296 700 HB2 PRO 97 1HB PRO 97 8.004 -11.547 -2.545 701 HB3 PRO 97 2HB PRO 97 6.834 -10.353 -3.119 702 HG2 PRO 97 1HG PRO 97 7.621 -11.037 -0.313 703 HG3 PRO 97 2HG PRO 97 7.357 -9.443 -1.044 704 HD2 PRO 97 1HD PRO 97 5.499 -10.662 0.503 705 HD3 PRO 97 2HD PRO 97 5.066 -9.592 -0.845 706 H LEU 98 H LEU 98 6.248 -14.153 -3.843 707 HA LEU 98 HA LEU 98 6.603 -16.180 -1.913 708 HB2 LEU 98 1HB LEU 98 6.948 -17.636 -3.691 709 HB3 LEU 98 2HB LEU 98 5.898 -16.388 -4.360 710 HG LEU 98 HG LEU 98 8.227 -15.372 -5.130 711 HD11 LEU 98 1HD1 LEU 98 9.137 -17.659 -3.970 712 HD12 LEU 98 2HD1 LEU 98 9.979 -16.762 -5.234 713 HD13 LEU 98 3HD1 LEU 98 8.980 -18.152 -5.656 714 HD21 LEU 98 1HD2 LEU 98 6.262 -17.170 -6.318 715 HD22 LEU 98 2HD2 LEU 98 7.834 -17.226 -7.116 716 HD23 LEU 98 3HD2 LEU 98 6.979 -15.690 -6.956 717 H SER 99 H SER 99 8.529 -17.493 -1.581 718 HA SER 99 HA SER 99 11.064 -16.094 -2.040 719 HB2 SER 99 1HB SER 99 10.004 -17.015 0.633 720 HB3 SER 99 2HB SER 99 11.717 -16.709 0.346 721 HG SER 99 HG SER 99 10.692 -14.587 -0.544 722 H GLY 100 H GLY 100 12.964 -17.513 -1.534 723 HA2 GLY 100 1HA GLY 100 12.301 -20.324 -2.165 724 HA3 GLY 100 2HA GLY 100 13.703 -19.490 -2.820 725 HA PRO 101 HA PRO 101 16.141 -21.069 0.464 726 HB2 PRO 101 1HB PRO 101 18.021 -19.123 0.680 727 HB3 PRO 101 2HB PRO 101 17.967 -20.260 -0.672 728 HG2 PRO 101 1HG PRO 101 16.972 -17.440 -0.528 729 HG3 PRO 101 2HG PRO 101 17.864 -18.247 -1.832 730 HD2 PRO 101 1HD PRO 101 15.184 -17.872 -1.916 731 HD3 PRO 101 2HD PRO 101 15.975 -19.278 -2.657 732 H SER 102 H SER 102 14.819 -21.027 2.273 733 HA SER 102 HA SER 102 13.914 -18.816 3.669 734 HB2 SER 102 1HB SER 102 13.763 -20.359 5.640 735 HB3 SER 102 2HB SER 102 13.052 -21.015 4.165 736 HG SER 102 HG SER 102 15.533 -21.668 5.358 737 H SER 103 H SER 103 14.604 -18.279 5.987 738 HA SER 103 HA SER 103 17.538 -18.010 6.080 739 HB2 SER 103 1HB SER 103 15.374 -16.015 6.705 740 HB3 SER 103 2HB SER 103 16.978 -15.864 7.423 741 HG SER 103 HG SER 103 17.141 -14.740 5.577 742 H GLY 104 H GLY 104 18.505 -18.813 7.827 743 HA2 GLY 104 1HA GLY 104 18.757 -19.154 10.159 744 HA3 GLY 104 2HA GLY 104 17.018 -18.988 10.346 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -13.604 -0.816 -1.235 2 HA2 GLY 1 1HA GLY 1 -12.078 -2.542 -2.500 3 HA3 GLY 1 2HA GLY 1 -11.169 -2.425 -1.001 4 H SER 2 H SER 2 -13.191 -2.296 0.866 5 HA SER 2 HA SER 2 -14.258 -3.834 2.200 6 HB2 SER 2 1HB SER 2 -16.455 -4.331 1.429 7 HB3 SER 2 2HB SER 2 -16.024 -2.788 0.691 8 HG SER 2 HG SER 2 -15.223 -4.385 -1.073 9 H SER 3 H SER 3 -12.002 -4.998 1.095 10 HA SER 3 HA SER 3 -12.826 -7.635 0.137 11 HB2 SER 3 1HB SER 3 -10.897 -6.256 -0.883 12 HB3 SER 3 2HB SER 3 -9.979 -6.736 0.544 13 HG SER 3 HG SER 3 -9.556 -8.328 -0.851 14 H GLY 4 H GLY 4 -13.087 -9.265 1.504 15 HA2 GLY 4 1HA GLY 4 -11.266 -9.798 3.636 16 HA3 GLY 4 2HA GLY 4 -12.785 -9.156 4.243 17 H SER 5 H SER 5 -14.461 -10.506 4.511 18 HA SER 5 HA SER 5 -14.084 -13.285 4.379 19 HB2 SER 5 1HB SER 5 -15.769 -11.867 5.782 20 HB3 SER 5 2HB SER 5 -16.827 -12.060 4.384 21 HG SER 5 HG SER 5 -15.573 -14.342 5.385 22 H SER 6 H SER 6 -16.232 -11.224 2.412 23 HA SER 6 HA SER 6 -17.333 -12.931 0.676 24 HB2 SER 6 1HB SER 6 -17.428 -10.393 0.604 25 HB3 SER 6 2HB SER 6 -15.939 -10.449 -0.338 26 HG SER 6 HG SER 6 -18.467 -10.843 -1.152 27 H GLY 7 H GLY 7 -16.645 -14.568 -0.523 28 HA2 GLY 7 1HA GLY 7 -15.277 -15.942 -1.751 29 HA3 GLY 7 2HA GLY 7 -14.620 -14.459 -2.426 30 H GLN 8 H GLN 8 -12.768 -16.173 -2.402 31 HA GLN 8 HA GLN 8 -11.176 -15.636 0.011 32 HB2 GLN 8 1HB GLN 8 -11.407 -18.258 -1.470 33 HB3 GLN 8 2HB GLN 8 -10.160 -17.915 -0.279 34 HG2 GLN 8 1HG GLN 8 -11.878 -19.160 0.790 35 HG3 GLN 8 2HG GLN 8 -11.954 -17.505 1.390 36 HE21 GLN 8 1HE2 GLN 8 -13.225 -19.236 -1.439 37 HE22 GLN 8 2HE2 GLN 8 -14.857 -18.702 -1.245 38 H ALA 9 H ALA 9 -9.450 -14.487 -0.512 39 HA ALA 9 HA ALA 9 -8.401 -14.635 -3.245 40 HB1 ALA 9 1HB ALA 9 -7.797 -12.616 -1.087 41 HB2 ALA 9 2HB ALA 9 -7.297 -12.534 -2.777 42 HB3 ALA 9 3HB ALA 9 -9.006 -12.418 -2.357 43 H SER 10 H SER 10 -6.651 -15.806 -3.640 44 HA SER 10 HA SER 10 -4.841 -16.435 -1.405 45 HB2 SER 10 1HB SER 10 -6.100 -18.287 -2.733 46 HB3 SER 10 2HB SER 10 -4.902 -17.972 -3.988 47 HG SER 10 HG SER 10 -3.294 -18.346 -2.319 48 H GLY 11 H GLY 11 -4.522 -13.974 -2.603 49 HA2 GLY 11 1HA GLY 11 -1.822 -14.230 -3.613 50 HA3 GLY 11 2HA GLY 11 -2.970 -13.579 -4.773 51 H HIS 12 H HIS 12 -4.307 -11.702 -3.923 52 HA HIS 12 HA HIS 12 -2.507 -9.895 -2.461 53 HB2 HIS 12 1HB HIS 12 -4.853 -9.008 -4.122 54 HB3 HIS 12 2HB HIS 12 -3.425 -8.087 -3.656 55 HD1 HIS 12 1HD HIS 12 -4.601 -8.743 -6.625 56 HD2 HIS 12 2HD HIS 12 -1.213 -10.317 -4.806 57 HE1 HIS 12 1HE HIS 12 -3.120 -9.505 -8.509 58 HE2 HIS 12 2HE HIS 12 -1.114 -10.531 -7.382 59 H PHE 13 H PHE 13 -3.406 -8.412 -0.931 60 HA PHE 13 HA PHE 13 -6.107 -8.932 0.020 61 HB2 PHE 13 1HB PHE 13 -5.404 -9.373 2.312 62 HB3 PHE 13 2HB PHE 13 -4.702 -10.567 1.225 63 HD1 PHE 13 2HD PHE 13 -4.014 -7.655 3.342 64 HD2 PHE 13 1HD PHE 13 -2.337 -10.681 0.863 65 HE1 PHE 13 2HE PHE 13 -1.776 -7.122 4.212 66 HE2 PHE 13 1HE PHE 13 -0.095 -10.153 1.730 67 HZ PHE 13 HZ PHE 13 0.188 -8.371 3.406 68 H SER 14 H SER 14 -6.701 -7.411 1.815 69 HA SER 14 HA SER 14 -5.376 -4.818 1.375 70 HB2 SER 14 1HB SER 14 -7.502 -3.755 1.840 71 HB3 SER 14 2HB SER 14 -7.747 -4.991 0.606 72 HG SER 14 HG SER 14 -8.376 -5.140 3.365 73 H VAL 15 H VAL 15 -5.406 -3.308 3.204 74 HA VAL 15 HA VAL 15 -5.276 -4.709 5.796 75 HB VAL 15 HB VAL 15 -3.532 -2.384 4.981 76 HG11 VAL 15 1HG1 VAL 15 -2.308 -2.838 6.989 77 HG12 VAL 15 2HG1 VAL 15 -4.015 -2.684 7.408 78 HG13 VAL 15 3HG1 VAL 15 -3.271 -4.280 7.309 79 HG21 VAL 15 1HG2 VAL 15 -3.280 -5.225 4.423 80 HG22 VAL 15 2HG2 VAL 15 -2.370 -3.861 3.774 81 HG23 VAL 15 3HG2 VAL 15 -1.897 -4.584 5.311 82 H GLU 16 H GLU 16 -6.747 -3.995 7.179 83 HA GLU 16 HA GLU 16 -7.780 -1.261 6.865 84 HB2 GLU 16 1HB GLU 16 -9.006 -3.599 8.339 85 HB3 GLU 16 2HB GLU 16 -9.746 -2.022 8.101 86 HG2 GLU 16 1HG GLU 16 -8.901 -3.543 5.698 87 HG3 GLU 16 2HG GLU 16 -10.333 -4.086 6.571 88 H LEU 17 H LEU 17 -7.493 0.221 8.416 89 HA LEU 17 HA LEU 17 -6.860 -0.574 11.135 90 HB2 LEU 17 1HB LEU 17 -4.987 1.255 9.654 91 HB3 LEU 17 2HB LEU 17 -4.796 0.600 11.279 92 HG LEU 17 HG LEU 17 -4.813 -1.161 8.842 93 HD11 LEU 17 1HD1 LEU 17 -2.581 -0.872 8.474 94 HD12 LEU 17 2HD1 LEU 17 -2.261 -0.338 10.124 95 HD13 LEU 17 3HD1 LEU 17 -3.015 0.764 8.971 96 HD21 LEU 17 1HD2 LEU 17 -5.021 -1.830 11.430 97 HD22 LEU 17 2HD2 LEU 17 -3.264 -1.764 11.284 98 HD23 LEU 17 3HD2 LEU 17 -4.197 -2.832 10.235 99 H VAL 18 H VAL 18 -6.962 1.196 12.648 100 HA VAL 18 HA VAL 18 -8.577 3.438 11.627 101 HB VAL 18 HB VAL 18 -8.524 2.271 14.414 102 HG11 VAL 18 1HG1 VAL 18 -8.947 4.736 14.262 103 HG12 VAL 18 2HG1 VAL 18 -10.382 4.366 13.303 104 HG13 VAL 18 3HG1 VAL 18 -10.264 3.802 14.970 105 HG21 VAL 18 1HG2 VAL 18 -10.812 2.219 12.466 106 HG22 VAL 18 2HG2 VAL 18 -9.622 0.921 12.556 107 HG23 VAL 18 3HG2 VAL 18 -10.621 1.301 13.959 108 H ARG 19 H ARG 19 -7.472 5.269 11.479 109 HA ARG 19 HA ARG 19 -4.998 5.924 12.237 110 HB2 ARG 19 1HB ARG 19 -6.295 7.503 10.999 111 HB3 ARG 19 2HB ARG 19 -7.442 7.690 12.318 112 HG2 ARG 19 1HG ARG 19 -5.929 8.934 13.606 113 HG3 ARG 19 2HG ARG 19 -4.555 8.444 12.613 114 HD2 ARG 19 1HD ARG 19 -5.518 9.701 10.719 115 HD3 ARG 19 2HD ARG 19 -6.830 10.235 11.769 116 HE ARG 19 HE ARG 19 -4.439 10.935 13.004 117 HH11 ARG 19 2HH1 ARG 19 -6.197 11.707 10.101 118 HH12 ARG 19 1HH1 ARG 19 -5.568 13.317 9.992 119 HH21 ARG 19 2HH2 ARG 19 -3.603 13.053 12.872 120 HH22 ARG 19 1HH2 ARG 19 -4.092 14.082 11.568 121 H GLY 20 H GLY 20 -3.949 5.629 14.089 122 HA2 GLY 20 1HA GLY 20 -5.395 5.910 16.622 123 HA3 GLY 20 2HA GLY 20 -3.829 5.143 16.405 124 H TYR 21 H TYR 21 -2.607 6.255 17.836 125 HA TYR 21 HA TYR 21 -2.772 9.132 18.029 126 HB2 TYR 21 1HB TYR 21 -2.289 7.486 19.948 127 HB3 TYR 21 2HB TYR 21 -0.654 7.410 19.301 128 HD1 TYR 21 2HD TYR 21 0.627 9.621 19.073 129 HD2 TYR 21 1HD TYR 21 -2.905 9.206 21.407 130 HE1 TYR 21 2HE TYR 21 1.222 11.654 20.324 131 HE2 TYR 21 1HE TYR 21 -2.322 11.238 22.664 132 HH TYR 21 HH TYR 21 -0.844 12.865 22.950 133 H ALA 22 H ALA 22 -1.612 10.544 16.904 134 HA ALA 22 HA ALA 22 -0.013 11.466 15.571 135 HB1 ALA 22 1HB ALA 22 1.819 11.108 16.826 136 HB2 ALA 22 2HB ALA 22 1.448 9.401 17.070 137 HB3 ALA 22 3HB ALA 22 2.213 9.931 15.572 138 H GLY 23 H GLY 23 -1.940 9.864 14.355 139 HA2 GLY 23 1HA GLY 23 -2.248 9.273 12.112 140 HA3 GLY 23 2HA GLY 23 -0.506 9.123 11.935 141 H PHE 24 H PHE 24 -0.732 7.138 10.852 142 HA PHE 24 HA PHE 24 -1.920 4.917 12.320 143 HB2 PHE 24 1HB PHE 24 -0.898 5.262 9.513 144 HB3 PHE 24 2HB PHE 24 -1.202 3.658 10.173 145 HD1 PHE 24 1HD PHE 24 -3.497 3.028 10.868 146 HD2 PHE 24 2HD PHE 24 -2.668 6.665 8.817 147 HE1 PHE 24 1HE PHE 24 -5.878 3.238 10.284 148 HE2 PHE 24 2HE PHE 24 -5.048 6.881 8.232 149 HZ PHE 24 HZ PHE 24 -6.656 5.167 8.966 150 H GLY 25 H GLY 25 1.205 6.135 11.315 151 HA2 GLY 25 1HA GLY 25 3.237 5.659 12.392 152 HA3 GLY 25 2HA GLY 25 2.488 4.255 13.137 153 H LEU 26 H LEU 26 2.198 4.827 9.717 154 HA LEU 26 HA LEU 26 4.005 2.550 9.241 155 HB2 LEU 26 1HB LEU 26 1.600 2.182 8.725 156 HB3 LEU 26 2HB LEU 26 1.703 3.472 7.528 157 HG LEU 26 HG LEU 26 3.425 2.099 6.329 158 HD11 LEU 26 1HD1 LEU 26 3.714 0.694 8.554 159 HD12 LEU 26 2HD1 LEU 26 4.000 -0.009 6.962 160 HD13 LEU 26 3HD1 LEU 26 2.472 -0.299 7.793 161 HD21 LEU 26 1HD2 LEU 26 0.560 1.490 6.620 162 HD22 LEU 26 2HD2 LEU 26 1.528 0.240 5.838 163 HD23 LEU 26 3HD2 LEU 26 1.501 1.877 5.179 164 H THR 27 H THR 27 5.771 2.905 8.070 165 HA THR 27 HA THR 27 5.859 5.298 6.351 166 HB THR 27 HB THR 27 8.135 4.192 8.008 167 HG1 THR 27 1HG THR 27 6.563 6.557 8.256 168 HG21 THR 27 1HG2 THR 27 8.869 6.688 7.160 169 HG22 THR 27 2HG2 THR 27 8.017 6.056 5.751 170 HG23 THR 27 3HG2 THR 27 9.389 5.174 6.422 171 H LEU 28 H LEU 28 6.547 5.004 4.313 172 HA LEU 28 HA LEU 28 7.438 2.306 3.566 173 HB2 LEU 28 1HB LEU 28 5.994 4.481 2.104 174 HB3 LEU 28 2HB LEU 28 6.867 3.237 1.211 175 HG LEU 28 HG LEU 28 4.855 2.408 3.253 176 HD11 LEU 28 1HD1 LEU 28 3.044 3.023 2.089 177 HD12 LEU 28 2HD1 LEU 28 3.813 2.715 0.533 178 HD13 LEU 28 3HD1 LEU 28 4.111 4.234 1.378 179 HD21 LEU 28 1HD2 LEU 28 6.425 1.199 1.180 180 HD22 LEU 28 2HD2 LEU 28 4.709 0.938 0.865 181 HD23 LEU 28 3HD2 LEU 28 5.411 0.434 2.404 182 H GLY 29 H GLY 29 9.297 1.970 2.402 183 HA2 GLY 29 1HA GLY 29 10.997 4.350 1.968 184 HA3 GLY 29 2HA GLY 29 11.631 2.842 2.611 185 H GLY 30 H GLY 30 11.109 4.665 -0.167 186 HA2 GLY 30 1HA GLY 30 12.530 3.608 -2.028 187 HA3 GLY 30 2HA GLY 30 11.358 2.303 -1.910 188 H GLY 31 H GLY 31 10.168 2.383 -3.709 189 HA2 GLY 31 1HA GLY 31 8.447 3.186 -5.048 190 HA3 GLY 31 2HA GLY 31 8.524 4.713 -4.180 191 H ARG 32 H ARG 32 8.258 5.656 -6.327 192 HA ARG 32 HA ARG 32 10.439 5.404 -8.201 193 HB2 ARG 32 1HB ARG 32 7.957 5.816 -8.754 194 HB3 ARG 32 2HB ARG 32 8.272 7.488 -8.310 195 HG2 ARG 32 1HG ARG 32 9.568 7.881 -10.145 196 HG3 ARG 32 2HG ARG 32 10.080 6.197 -10.280 197 HD2 ARG 32 1HD ARG 32 7.220 6.927 -10.742 198 HD3 ARG 32 2HD ARG 32 8.410 7.204 -12.013 199 HE ARG 32 HE ARG 32 8.792 4.606 -11.206 200 HH11 ARG 32 2HH1 ARG 32 6.152 6.473 -12.496 201 HH12 ARG 32 1HH1 ARG 32 5.416 5.123 -13.294 202 HH21 ARG 32 2HH2 ARG 32 7.833 2.821 -12.252 203 HH22 ARG 32 1HH2 ARG 32 6.372 3.046 -13.154 204 H ASP 33 H ASP 33 12.303 6.415 -7.906 205 HA ASP 33 HA ASP 33 12.287 9.045 -6.575 206 HB2 ASP 33 1HB ASP 33 14.534 7.021 -6.688 207 HB3 ASP 33 2HB ASP 33 14.581 8.572 -5.855 208 H VAL 34 H VAL 34 13.551 10.705 -7.422 209 HA VAL 34 HA VAL 34 13.731 10.851 -10.214 210 HB VAL 34 HB VAL 34 15.045 12.920 -9.854 211 HG11 VAL 34 1HG1 VAL 34 13.293 14.171 -8.808 212 HG12 VAL 34 2HG1 VAL 34 12.553 12.857 -9.725 213 HG13 VAL 34 3HG1 VAL 34 12.699 12.738 -7.971 214 HG21 VAL 34 1HG2 VAL 34 14.896 12.132 -6.945 215 HG22 VAL 34 2HG2 VAL 34 16.356 12.210 -7.932 216 HG23 VAL 34 3HG2 VAL 34 15.465 13.686 -7.557 217 H ALA 35 H ALA 35 15.790 9.361 -7.975 218 HA ALA 35 HA ALA 35 18.089 9.472 -9.799 219 HB1 ALA 35 1HB ALA 35 19.357 8.500 -7.894 220 HB2 ALA 35 2HB ALA 35 18.641 10.073 -7.544 221 HB3 ALA 35 3HB ALA 35 17.890 8.605 -6.920 222 H GLY 36 H GLY 36 15.726 7.315 -8.402 223 HA2 GLY 36 1HA GLY 36 16.359 5.294 -10.356 224 HA3 GLY 36 2HA GLY 36 16.774 4.824 -8.714 225 H ASP 37 H ASP 37 15.064 3.194 -9.771 226 HA ASP 37 HA ASP 37 12.441 4.012 -8.705 227 HB2 ASP 37 1HB ASP 37 12.639 3.736 -11.261 228 HB3 ASP 37 2HB ASP 37 12.755 2.010 -10.930 229 H THR 38 H THR 38 11.419 2.614 -7.359 230 HA THR 38 HA THR 38 12.318 -0.128 -7.097 231 HB THR 38 HB THR 38 12.740 0.068 -4.655 232 HG1 THR 38 1HG THR 38 12.103 1.900 -3.806 233 HG21 THR 38 1HG2 THR 38 14.557 1.834 -6.297 234 HG22 THR 38 2HG2 THR 38 14.588 0.071 -6.322 235 HG23 THR 38 3HG2 THR 38 14.981 0.939 -4.838 236 HA PRO 39 HA PRO 39 8.075 -0.696 -6.077 237 HB2 PRO 39 1HB PRO 39 8.234 -3.089 -4.804 238 HB3 PRO 39 2HB PRO 39 8.408 -2.919 -6.555 239 HG2 PRO 39 1HG PRO 39 10.528 -3.188 -4.458 240 HG3 PRO 39 2HG PRO 39 10.421 -3.967 -6.047 241 HD2 PRO 39 1HD PRO 39 11.990 -1.808 -5.585 242 HD3 PRO 39 2HD PRO 39 11.211 -2.104 -7.153 243 H LEU 40 H LEU 40 7.058 0.437 -4.553 244 HA LEU 40 HA LEU 40 8.047 1.155 -2.070 245 HB2 LEU 40 1HB LEU 40 5.350 1.083 -3.306 246 HB3 LEU 40 2HB LEU 40 5.441 1.312 -1.561 247 HG LEU 40 HG LEU 40 7.016 3.073 -3.401 248 HD11 LEU 40 1HD1 LEU 40 5.081 4.661 -3.295 249 HD12 LEU 40 2HD1 LEU 40 4.095 3.317 -2.719 250 HD13 LEU 40 3HD1 LEU 40 4.831 3.247 -4.320 251 HD21 LEU 40 1HD2 LEU 40 5.735 3.574 -0.718 252 HD22 LEU 40 2HD2 LEU 40 6.849 4.635 -1.581 253 HD23 LEU 40 3HD2 LEU 40 7.414 3.087 -0.952 254 H ALA 41 H ALA 41 8.256 0.163 -0.169 255 HA ALA 41 HA ALA 41 6.551 -2.101 0.506 256 HB1 ALA 41 1HB ALA 41 8.505 -3.066 -0.666 257 HB2 ALA 41 2HB ALA 41 9.555 -2.353 0.559 258 HB3 ALA 41 3HB ALA 41 8.379 -3.585 1.015 259 H VAL 42 H VAL 42 6.256 -2.380 2.688 260 HA VAL 42 HA VAL 42 6.417 -0.286 4.418 261 HB VAL 42 HB VAL 42 6.601 -3.216 5.127 262 HG11 VAL 42 1HG1 VAL 42 6.629 -2.701 7.294 263 HG12 VAL 42 2HG1 VAL 42 7.048 -1.058 6.807 264 HG13 VAL 42 3HG1 VAL 42 5.363 -1.490 7.096 265 HG21 VAL 42 1HG2 VAL 42 4.450 -1.487 4.220 266 HG22 VAL 42 2HG2 VAL 42 4.509 -3.245 4.345 267 HG23 VAL 42 3HG2 VAL 42 4.081 -2.275 5.755 268 H ARG 43 H ARG 43 8.001 0.798 5.375 269 HA ARG 43 HA ARG 43 10.694 -0.337 5.380 270 HB2 ARG 43 1HB ARG 43 10.163 1.990 4.484 271 HB3 ARG 43 2HB ARG 43 9.911 2.469 6.157 272 HG2 ARG 43 1HG ARG 43 12.461 1.124 5.425 273 HG3 ARG 43 2HG ARG 43 12.225 2.816 4.981 274 HD2 ARG 43 1HD ARG 43 11.594 3.224 7.395 275 HD3 ARG 43 2HD ARG 43 12.177 1.595 7.731 276 HE ARG 43 HE ARG 43 13.763 3.928 7.275 277 HH11 ARG 43 2HH1 ARG 43 13.684 0.463 6.947 278 HH12 ARG 43 1HH1 ARG 43 15.408 0.289 6.994 279 HH21 ARG 43 2HH2 ARG 43 16.033 3.712 7.338 280 HH22 ARG 43 1HH2 ARG 43 16.742 2.137 7.218 281 H GLY 44 H GLY 44 8.953 1.777 7.669 282 HA2 GLY 44 1HA GLY 44 10.057 0.114 9.849 283 HA3 GLY 44 2HA GLY 44 9.822 1.852 9.971 284 H LEU 45 H LEU 45 8.793 -0.075 11.787 285 HA LEU 45 HA LEU 45 5.906 0.301 11.344 286 HB2 LEU 45 1HB LEU 45 7.434 -2.083 12.235 287 HB3 LEU 45 2HB LEU 45 5.864 -1.790 12.981 288 HG LEU 45 HG LEU 45 6.254 -1.991 10.002 289 HD11 LEU 45 1HD1 LEU 45 5.016 -4.291 10.681 290 HD12 LEU 45 2HD1 LEU 45 6.104 -4.093 12.054 291 HD13 LEU 45 3HD1 LEU 45 6.754 -4.144 10.415 292 HD21 LEU 45 1HD2 LEU 45 4.231 -0.877 10.562 293 HD22 LEU 45 2HD2 LEU 45 3.860 -2.047 11.828 294 HD23 LEU 45 3HD2 LEU 45 3.804 -2.534 10.133 295 H LEU 46 H LEU 46 5.200 1.803 12.703 296 HA LEU 46 HA LEU 46 6.483 2.825 14.910 297 HB2 LEU 46 1HB LEU 46 4.298 3.532 13.629 298 HB3 LEU 46 2HB LEU 46 3.508 2.658 14.939 299 HG LEU 46 HG LEU 46 3.726 5.168 15.207 300 HD11 LEU 46 1HD1 LEU 46 5.001 4.443 17.605 301 HD12 LEU 46 2HD1 LEU 46 4.074 3.038 17.082 302 HD13 LEU 46 3HD1 LEU 46 3.271 4.593 17.297 303 HD21 LEU 46 1HD2 LEU 46 6.222 4.953 14.406 304 HD22 LEU 46 2HD2 LEU 46 6.517 4.682 16.123 305 HD23 LEU 46 3HD2 LEU 46 5.747 6.175 15.585 306 H LYS 47 H LYS 47 6.957 2.059 16.854 307 HA LYS 47 HA LYS 47 6.401 -0.497 17.742 308 HB2 LYS 47 1HB LYS 47 8.121 1.195 18.619 309 HB3 LYS 47 2HB LYS 47 6.821 1.811 19.630 310 HG2 LYS 47 1HG LYS 47 7.541 -1.093 19.657 311 HG3 LYS 47 2HG LYS 47 8.444 0.082 20.616 312 HD2 LYS 47 1HD LYS 47 5.490 -0.510 20.775 313 HD3 LYS 47 2HD LYS 47 6.717 -0.890 21.986 314 HE2 LYS 47 1HE LYS 47 7.133 1.725 21.833 315 HE3 LYS 47 2HE LYS 47 5.452 1.710 21.301 316 HZ1 LYS 47 1HZ LYS 47 6.466 1.483 23.913 317 HZ2 LYS 47 2HZ LYS 47 5.636 0.059 23.534 318 HZ3 LYS 47 3HZ LYS 47 4.852 1.553 23.411 319 H ASP 48 H ASP 48 4.727 -1.471 18.699 320 HA ASP 48 HA ASP 48 2.592 -1.813 19.426 321 HB2 ASP 48 1HB ASP 48 3.588 -0.978 21.499 322 HB3 ASP 48 2HB ASP 48 3.234 0.679 21.018 323 H GLY 49 H GLY 49 2.715 -0.487 16.971 324 HA2 GLY 49 1HA GLY 49 0.652 1.598 17.139 325 HA3 GLY 49 2HA GLY 49 1.668 1.270 15.744 326 HA PRO 50 HA PRO 50 -2.600 -0.681 15.281 327 HB2 PRO 50 1HB PRO 50 -3.391 0.788 13.140 328 HB3 PRO 50 2HB PRO 50 -3.689 1.286 14.809 329 HG2 PRO 50 1HG PRO 50 -1.541 2.174 12.922 330 HG3 PRO 50 2HG PRO 50 -2.526 3.144 14.033 331 HD2 PRO 50 1HD PRO 50 0.014 2.402 14.607 332 HD3 PRO 50 2HD PRO 50 -1.229 2.599 15.859 333 H ALA 51 H ALA 51 -0.220 0.394 12.885 334 HA ALA 51 HA ALA 51 -0.928 -1.625 10.975 335 HB1 ALA 51 1HB ALA 51 0.759 0.691 11.047 336 HB2 ALA 51 2HB ALA 51 1.651 -0.683 10.393 337 HB3 ALA 51 3HB ALA 51 0.128 -0.189 9.654 338 H GLN 52 H GLN 52 1.410 -1.304 13.559 339 HA GLN 52 HA GLN 52 2.912 -3.637 12.791 340 HB2 GLN 52 1HB GLN 52 4.076 -1.879 13.951 341 HB3 GLN 52 2HB GLN 52 2.933 -1.937 15.286 342 HG2 GLN 52 1HG GLN 52 5.061 -2.998 15.844 343 HG3 GLN 52 2HG GLN 52 3.716 -4.135 15.909 344 HE21 GLN 52 1HE2 GLN 52 6.813 -3.884 15.050 345 HE22 GLN 52 2HE2 GLN 52 6.886 -5.047 13.774 346 H ARG 53 H ARG 53 0.390 -2.854 15.123 347 HA ARG 53 HA ARG 53 0.434 -5.316 16.512 348 HB2 ARG 53 1HB ARG 53 -1.559 -3.095 16.227 349 HB3 ARG 53 2HB ARG 53 -2.029 -4.592 17.022 350 HG2 ARG 53 1HG ARG 53 -0.216 -4.309 18.634 351 HG3 ARG 53 2HG ARG 53 0.254 -2.806 17.837 352 HD2 ARG 53 1HD ARG 53 -2.556 -3.141 18.779 353 HD3 ARG 53 2HD ARG 53 -1.294 -2.780 19.956 354 HE ARG 53 HE ARG 53 -0.961 -0.942 17.944 355 HH11 ARG 53 2HH1 ARG 53 -3.526 -1.846 20.117 356 HH12 ARG 53 1HH1 ARG 53 -4.219 -0.259 20.168 357 HH21 ARG 53 2HH2 ARG 53 -1.863 1.152 18.003 358 HH22 ARG 53 1HH2 ARG 53 -3.273 1.446 18.965 359 H CYS 54 H CYS 54 -1.531 -4.144 13.797 360 HA CYS 54 HA CYS 54 -3.187 -6.371 13.519 361 HB2 CYS 54 1HB CYS 54 -3.666 -5.570 11.300 362 HB3 CYS 54 2HB CYS 54 -3.482 -4.176 12.358 363 HG CYS 54 HG CYS 54 -1.307 -5.286 9.975 364 H GLY 55 H GLY 55 0.055 -5.751 12.281 365 HA2 GLY 55 1HA GLY 55 1.656 -7.385 11.778 366 HA3 GLY 55 2HA GLY 55 0.390 -8.603 11.811 367 H ARG 56 H ARG 56 -1.407 -7.445 9.998 368 HA ARG 56 HA ARG 56 -0.838 -8.492 7.615 369 HB2 ARG 56 1HB ARG 56 -2.274 -5.934 8.254 370 HB3 ARG 56 2HB ARG 56 -2.112 -6.474 6.589 371 HG2 ARG 56 1HG ARG 56 -4.225 -7.207 7.398 372 HG3 ARG 56 2HG ARG 56 -3.182 -8.623 7.255 373 HD2 ARG 56 1HD ARG 56 -3.284 -7.184 9.859 374 HD3 ARG 56 2HD ARG 56 -4.651 -8.201 9.406 375 HE ARG 56 HE ARG 56 -2.066 -9.466 9.170 376 HH11 ARG 56 2HH1 ARG 56 -4.810 -8.831 11.216 377 HH12 ARG 56 1HH1 ARG 56 -4.518 -10.190 12.250 378 HH21 ARG 56 2HH2 ARG 56 -1.672 -11.259 10.524 379 HH22 ARG 56 1HH2 ARG 56 -2.732 -11.570 11.856 380 H LEU 57 H LEU 57 0.449 -5.437 8.790 381 HA LEU 57 HA LEU 57 2.076 -5.211 6.350 382 HB2 LEU 57 1HB LEU 57 1.493 -3.118 8.440 383 HB3 LEU 57 2HB LEU 57 2.401 -2.877 6.948 384 HG LEU 57 HG LEU 57 -0.469 -3.749 6.890 385 HD11 LEU 57 1HD1 LEU 57 -0.837 -1.211 6.459 386 HD12 LEU 57 2HD1 LEU 57 0.640 -1.024 7.404 387 HD13 LEU 57 3HD1 LEU 57 -0.766 -1.818 8.113 388 HD21 LEU 57 1HD2 LEU 57 0.828 -1.964 4.901 389 HD22 LEU 57 2HD2 LEU 57 -0.406 -3.204 4.676 390 HD23 LEU 57 3HD2 LEU 57 1.281 -3.668 4.908 391 H GLU 58 H GLU 58 4.130 -5.797 6.491 392 HA GLU 58 HA GLU 58 5.586 -5.343 8.990 393 HB2 GLU 58 1HB GLU 58 5.307 -7.974 7.556 394 HB3 GLU 58 2HB GLU 58 6.686 -7.634 8.592 395 HG2 GLU 58 1HG GLU 58 5.353 -7.487 10.511 396 HG3 GLU 58 2HG GLU 58 3.868 -7.349 9.571 397 H VAL 59 H VAL 59 7.891 -5.280 8.740 398 HA VAL 59 HA VAL 59 8.801 -3.824 6.576 399 HB VAL 59 HB VAL 59 10.430 -5.620 8.379 400 HG11 VAL 59 1HG1 VAL 59 12.095 -3.617 7.693 401 HG12 VAL 59 2HG1 VAL 59 12.020 -5.161 6.843 402 HG13 VAL 59 3HG1 VAL 59 11.155 -3.761 6.208 403 HG21 VAL 59 1HG2 VAL 59 9.344 -4.089 9.776 404 HG22 VAL 59 2HG2 VAL 59 10.920 -3.356 9.476 405 HG23 VAL 59 3HG2 VAL 59 9.499 -2.775 8.609 406 H GLY 60 H GLY 60 8.918 -4.388 4.508 407 HA2 GLY 60 1HA GLY 60 10.290 -5.755 2.948 408 HA3 GLY 60 2HA GLY 60 9.751 -7.152 3.868 409 H ASP 61 H ASP 61 7.025 -6.283 4.157 410 HA ASP 61 HA ASP 61 5.771 -7.513 2.085 411 HB2 ASP 61 1HB ASP 61 4.870 -5.287 3.888 412 HB3 ASP 61 2HB ASP 61 3.799 -5.909 2.636 413 H LEU 62 H LEU 62 5.017 -7.013 0.074 414 HA LEU 62 HA LEU 62 6.071 -4.548 -1.108 415 HB2 LEU 62 1HB LEU 62 4.895 -6.921 -2.538 416 HB3 LEU 62 2HB LEU 62 5.858 -5.617 -3.230 417 HG LEU 62 HG LEU 62 6.960 -7.564 -1.216 418 HD11 LEU 62 1HD1 LEU 62 7.842 -7.966 -3.938 419 HD12 LEU 62 2HD1 LEU 62 6.107 -8.228 -3.771 420 HD13 LEU 62 3HD1 LEU 62 7.235 -9.134 -2.764 421 HD21 LEU 62 1HD2 LEU 62 9.105 -6.834 -2.283 422 HD22 LEU 62 2HD2 LEU 62 8.262 -5.575 -1.379 423 HD23 LEU 62 3HD2 LEU 62 8.185 -5.599 -3.142 424 H VAL 63 H VAL 63 4.795 -2.981 -1.914 425 HA VAL 63 HA VAL 63 1.899 -3.311 -1.583 426 HB VAL 63 HB VAL 63 3.388 -0.732 -2.062 427 HG11 VAL 63 1HG1 VAL 63 0.584 -1.489 -1.492 428 HG12 VAL 63 2HG1 VAL 63 1.201 -0.041 -0.693 429 HG13 VAL 63 3HG1 VAL 63 1.228 -0.159 -2.453 430 HG21 VAL 63 1HG2 VAL 63 3.209 -2.373 0.335 431 HG22 VAL 63 2HG2 VAL 63 4.253 -0.996 -0.018 432 HG23 VAL 63 3HG2 VAL 63 2.616 -0.731 0.581 433 H LEU 64 H LEU 64 0.661 -3.604 -3.307 434 HA LEU 64 HA LEU 64 1.759 -3.003 -5.958 435 HB2 LEU 64 1HB LEU 64 -0.638 -4.663 -5.193 436 HB3 LEU 64 2HB LEU 64 0.017 -4.477 -6.819 437 HG LEU 64 HG LEU 64 1.697 -5.632 -4.623 438 HD11 LEU 64 1HD1 LEU 64 -0.334 -7.091 -6.303 439 HD12 LEU 64 2HD1 LEU 64 -0.302 -6.956 -4.545 440 HD13 LEU 64 3HD1 LEU 64 0.950 -7.873 -5.382 441 HD21 LEU 64 1HD2 LEU 64 2.298 -4.926 -7.156 442 HD22 LEU 64 2HD2 LEU 64 1.801 -6.600 -7.403 443 HD23 LEU 64 3HD2 LEU 64 3.107 -6.224 -6.277 444 H HIS 65 H HIS 65 -0.867 -2.224 -3.792 445 HA HIS 65 HA HIS 65 -1.536 0.074 -5.426 446 HB2 HIS 65 1HB HIS 65 -3.677 -1.930 -4.686 447 HB3 HIS 65 2HB HIS 65 -3.908 -0.425 -5.571 448 HD1 HIS 65 1HD HIS 65 -2.261 -0.413 -7.886 449 HD2 HIS 65 2HD HIS 65 -3.600 -4.037 -6.359 450 HE1 HIS 65 1HE HIS 65 -2.077 -2.051 -9.785 451 HE2 HIS 65 2HE HIS 65 -2.973 -4.217 -8.862 452 H ILE 66 H ILE 66 -3.439 1.297 -4.277 453 HA ILE 66 HA ILE 66 -3.474 0.954 -1.401 454 HB ILE 66 HB ILE 66 -2.277 3.421 -2.664 455 HG12 ILE 66 1HG1 ILE 66 -1.166 1.434 -0.669 456 HG13 ILE 66 2HG1 ILE 66 -0.721 1.538 -2.369 457 HG21 ILE 66 1HG2 ILE 66 -3.860 3.227 -0.336 458 HG22 ILE 66 2HG2 ILE 66 -2.193 3.461 0.187 459 HG23 ILE 66 3HG2 ILE 66 -2.941 4.616 -0.916 460 HD11 ILE 66 1HD1 ILE 66 0.337 2.959 -0.132 461 HD12 ILE 66 2HD1 ILE 66 0.889 2.940 -1.807 462 HD13 ILE 66 3HD1 ILE 66 -0.336 4.100 -1.295 463 H ASN 67 H ASN 67 -5.342 1.653 -0.530 464 HA ASN 67 HA ASN 67 -7.552 2.255 -0.544 465 HB2 ASN 67 1HB ASN 67 -6.087 4.698 -1.515 466 HB3 ASN 67 2HB ASN 67 -7.830 4.722 -1.261 467 HD21 ASN 67 1HD2 ASN 67 -4.876 5.242 0.142 468 HD22 ASN 67 2HD2 ASN 67 -5.351 5.212 1.803 469 H GLY 68 H GLY 68 -6.922 0.700 -2.785 470 HA2 GLY 68 1HA GLY 68 -7.870 0.052 -4.773 471 HA3 GLY 68 2HA GLY 68 -9.141 1.220 -4.446 472 H GLU 69 H GLU 69 -5.742 2.044 -4.756 473 HA GLU 69 HA GLU 69 -6.390 3.451 -7.263 474 HB2 GLU 69 1HB GLU 69 -4.489 4.247 -5.054 475 HB3 GLU 69 2HB GLU 69 -4.585 5.062 -6.609 476 HG2 GLU 69 1HG GLU 69 -7.082 4.759 -5.036 477 HG3 GLU 69 2HG GLU 69 -5.887 5.935 -4.491 478 H SER 70 H SER 70 -4.172 4.065 -8.396 479 HA SER 70 HA SER 70 -2.642 1.556 -8.600 480 HB2 SER 70 1HB SER 70 -3.709 1.828 -10.673 481 HB3 SER 70 2HB SER 70 -3.472 3.576 -10.670 482 HG SER 70 HG SER 70 -2.042 2.118 -12.030 483 H THR 71 H THR 71 -0.681 1.690 -7.758 484 HA THR 71 HA THR 71 0.583 4.171 -7.152 485 HB THR 71 HB THR 71 0.965 2.221 -5.741 486 HG1 THR 71 1HG THR 71 3.380 2.929 -7.079 487 HG21 THR 71 1HG2 THR 71 1.395 0.913 -8.235 488 HG22 THR 71 2HG2 THR 71 1.311 0.205 -6.622 489 HG23 THR 71 3HG2 THR 71 2.858 0.756 -7.264 490 H GLN 72 H GLN 72 0.472 2.230 -9.941 491 HA GLN 72 HA GLN 72 3.008 2.617 -11.048 492 HB2 GLN 72 1HB GLN 72 1.277 1.068 -11.937 493 HB3 GLN 72 2HB GLN 72 0.379 2.459 -12.530 494 HG2 GLN 72 1HG GLN 72 1.502 1.779 -14.411 495 HG3 GLN 72 2HG GLN 72 2.576 3.027 -13.780 496 HE21 GLN 72 1HE2 GLN 72 4.608 2.470 -14.014 497 HE22 GLN 72 2HE2 GLN 72 5.269 0.889 -13.794 498 H GLY 73 H GLY 73 0.435 4.830 -10.540 499 HA2 GLY 73 1HA GLY 73 1.741 6.789 -12.324 500 HA3 GLY 73 2HA GLY 73 0.038 6.826 -11.895 501 H LEU 74 H LEU 74 1.302 5.977 -9.096 502 HA LEU 74 HA LEU 74 1.629 8.765 -8.218 503 HB2 LEU 74 1HB LEU 74 0.913 6.347 -6.568 504 HB3 LEU 74 2HB LEU 74 0.938 8.023 -6.022 505 HG LEU 74 HG LEU 74 -0.898 7.154 -8.227 506 HD11 LEU 74 1HD1 LEU 74 -2.635 6.752 -6.566 507 HD12 LEU 74 2HD1 LEU 74 -1.466 6.996 -5.270 508 HD13 LEU 74 3HD1 LEU 74 -1.294 5.625 -6.365 509 HD21 LEU 74 1HD2 LEU 74 -0.489 9.567 -7.735 510 HD22 LEU 74 2HD2 LEU 74 -1.168 9.300 -6.129 511 HD23 LEU 74 3HD2 LEU 74 -2.170 9.064 -7.562 512 H THR 75 H THR 75 3.347 9.373 -6.942 513 HA THR 75 HA THR 75 5.636 7.558 -6.993 514 HB THR 75 HB THR 75 6.941 9.588 -6.308 515 HG1 THR 75 1HG THR 75 5.879 11.325 -5.750 516 HG21 THR 75 1HG2 THR 75 5.389 10.313 -8.754 517 HG22 THR 75 2HG2 THR 75 6.322 8.816 -8.740 518 HG23 THR 75 3HG2 THR 75 7.129 10.360 -8.471 519 H HIS 76 H HIS 76 7.188 8.262 -4.970 520 HA HIS 76 HA HIS 76 6.131 6.929 -2.753 521 HB2 HIS 76 1HB HIS 76 8.470 6.952 -2.890 522 HB3 HIS 76 2HB HIS 76 8.532 8.694 -3.142 523 HD1 HIS 76 1HD HIS 76 7.911 10.166 -0.959 524 HD2 HIS 76 2HD HIS 76 8.818 6.164 -0.307 525 HE1 HIS 76 1HE HIS 76 8.425 9.984 1.497 526 HE2 HIS 76 2HE HIS 76 9.053 7.571 1.851 527 H ALA 77 H ALA 77 6.272 10.353 -3.535 528 HA ALA 77 HA ALA 77 5.427 11.280 -0.978 529 HB1 ALA 77 1HB ALA 77 6.516 12.914 -2.187 530 HB2 ALA 77 2HB ALA 77 5.681 12.512 -3.687 531 HB3 ALA 77 3HB ALA 77 4.827 13.372 -2.406 532 H GLN 78 H GLN 78 3.700 11.158 -4.102 533 HA GLN 78 HA GLN 78 1.192 11.868 -3.213 534 HB2 GLN 78 1HB GLN 78 1.953 9.926 -5.398 535 HB3 GLN 78 2HB GLN 78 0.323 10.541 -5.157 536 HG2 GLN 78 1HG GLN 78 1.525 12.869 -5.305 537 HG3 GLN 78 2HG GLN 78 2.748 11.933 -6.163 538 HE21 GLN 78 1HE2 GLN 78 2.518 12.128 -8.262 539 HE22 GLN 78 2HE2 GLN 78 1.024 12.172 -9.129 540 H ALA 79 H ALA 79 2.434 8.544 -3.575 541 HA ALA 79 HA ALA 79 0.333 7.069 -2.703 542 HB1 ALA 79 1HB ALA 79 2.274 5.922 -3.377 543 HB2 ALA 79 2HB ALA 79 3.264 6.709 -2.148 544 HB3 ALA 79 3HB ALA 79 2.057 5.515 -1.674 545 H VAL 80 H VAL 80 2.661 8.770 -0.634 546 HA VAL 80 HA VAL 80 1.547 7.903 1.824 547 HB VAL 80 HB VAL 80 3.221 10.347 1.227 548 HG11 VAL 80 1HG1 VAL 80 2.779 10.972 3.315 549 HG12 VAL 80 2HG1 VAL 80 1.889 9.482 3.637 550 HG13 VAL 80 3HG1 VAL 80 3.638 9.532 3.859 551 HG21 VAL 80 1HG2 VAL 80 4.056 7.887 0.820 552 HG22 VAL 80 2HG2 VAL 80 5.104 9.083 1.582 553 HG23 VAL 80 3HG2 VAL 80 4.254 7.897 2.572 554 H GLU 81 H GLU 81 0.920 10.639 -0.288 555 HA GLU 81 HA GLU 81 -0.703 12.088 1.539 556 HB2 GLU 81 1HB GLU 81 0.290 13.240 -0.327 557 HB3 GLU 81 2HB GLU 81 -0.503 12.167 -1.473 558 HG2 GLU 81 1HG GLU 81 -2.683 13.051 -0.760 559 HG3 GLU 81 2HG GLU 81 -1.854 14.165 0.326 560 H ARG 82 H ARG 82 -1.338 9.598 -0.854 561 HA ARG 82 HA ARG 82 -4.133 9.808 -0.954 562 HB2 ARG 82 1HB ARG 82 -2.358 7.389 -1.325 563 HB3 ARG 82 2HB ARG 82 -4.068 7.444 -1.735 564 HG2 ARG 82 1HG ARG 82 -1.938 9.196 -2.944 565 HG3 ARG 82 2HG ARG 82 -2.617 7.747 -3.688 566 HD2 ARG 82 1HD ARG 82 -4.174 10.212 -2.915 567 HD3 ARG 82 2HD ARG 82 -3.640 9.814 -4.547 568 HE ARG 82 HE ARG 82 -5.093 7.641 -3.696 569 HH11 ARG 82 2HH1 ARG 82 -5.677 11.044 -4.137 570 HH12 ARG 82 1HH1 ARG 82 -7.359 10.842 -4.499 571 HH21 ARG 82 2HH2 ARG 82 -7.306 7.361 -4.171 572 HH22 ARG 82 1HH2 ARG 82 -8.285 8.746 -4.518 573 H ILE 83 H ILE 83 -2.033 7.826 1.113 574 HA ILE 83 HA ILE 83 -4.025 6.447 2.495 575 HB ILE 83 HB ILE 83 -1.396 7.350 3.670 576 HG12 ILE 83 1HG1 ILE 83 -2.028 4.940 1.953 577 HG13 ILE 83 2HG1 ILE 83 -0.985 6.290 1.517 578 HG21 ILE 83 1HG2 ILE 83 -1.594 5.503 5.143 579 HG22 ILE 83 2HG2 ILE 83 -3.141 6.346 5.181 580 HG23 ILE 83 3HG2 ILE 83 -2.973 4.856 4.254 581 HD11 ILE 83 1HD1 ILE 83 0.650 5.646 3.101 582 HD12 ILE 83 2HD1 ILE 83 -0.436 4.469 3.840 583 HD13 ILE 83 3HD1 ILE 83 0.188 4.194 2.214 584 H ARG 84 H ARG 84 -2.176 9.228 3.759 585 HA ARG 84 HA ARG 84 -3.723 9.741 5.980 586 HB2 ARG 84 1HB ARG 84 -2.112 11.575 4.218 587 HB3 ARG 84 2HB ARG 84 -2.933 12.163 5.657 588 HG2 ARG 84 1HG ARG 84 -1.134 9.805 5.894 589 HG3 ARG 84 2HG ARG 84 -0.427 11.415 5.741 590 HD2 ARG 84 1HD ARG 84 -2.607 10.946 7.725 591 HD3 ARG 84 2HD ARG 84 -0.968 10.415 8.099 592 HE ARG 84 HE ARG 84 -1.942 13.099 8.083 593 HH11 ARG 84 2HH1 ARG 84 0.878 11.126 7.566 594 HH12 ARG 84 1HH1 ARG 84 1.996 12.394 7.946 595 HH21 ARG 84 2HH2 ARG 84 -0.481 14.777 8.586 596 HH22 ARG 84 1HH2 ARG 84 1.221 14.470 8.527 597 H ALA 85 H ALA 85 -4.067 11.199 2.748 598 HA ALA 85 HA ALA 85 -6.316 12.769 3.329 599 HB1 ALA 85 1HB ALA 85 -5.756 11.569 0.632 600 HB2 ALA 85 2HB ALA 85 -6.526 13.111 1.011 601 HB3 ALA 85 3HB ALA 85 -4.799 12.893 1.296 602 H GLY 86 H GLY 86 -5.998 9.395 2.425 603 HA2 GLY 86 1HA GLY 86 -8.441 8.656 1.528 604 HA3 GLY 86 2HA GLY 86 -7.534 7.683 2.677 605 H GLY 87 H GLY 87 -7.655 9.290 4.936 606 HA2 GLY 87 1HA GLY 87 -9.555 10.523 6.075 607 HA3 GLY 87 2HA GLY 87 -10.549 9.186 5.516 608 HA PRO 88 HA PRO 88 -9.266 8.150 9.809 609 HB2 PRO 88 1HB PRO 88 -11.652 7.046 10.484 610 HB3 PRO 88 2HB PRO 88 -11.331 8.780 10.595 611 HG2 PRO 88 1HG PRO 88 -12.758 7.252 8.453 612 HG3 PRO 88 2HG PRO 88 -13.190 8.801 9.199 613 HD2 PRO 88 1HD PRO 88 -11.984 8.635 6.781 614 HD3 PRO 88 2HD PRO 88 -11.703 9.987 7.897 615 H GLN 89 H GLN 89 -10.467 6.388 7.103 616 HA GLN 89 HA GLN 89 -9.708 3.834 8.345 617 HB2 GLN 89 1HB GLN 89 -11.377 4.393 5.888 618 HB3 GLN 89 2HB GLN 89 -10.953 2.787 6.465 619 HG2 GLN 89 1HG GLN 89 -12.114 3.336 8.605 620 HG3 GLN 89 2HG GLN 89 -12.669 4.829 7.851 621 HE21 GLN 89 1HE2 GLN 89 -13.776 2.013 8.737 622 HE22 GLN 89 2HE2 GLN 89 -14.892 1.655 7.467 623 H LEU 90 H LEU 90 -7.974 2.743 7.653 624 HA LEU 90 HA LEU 90 -6.490 3.853 5.375 625 HB2 LEU 90 1HB LEU 90 -5.112 3.894 7.251 626 HB3 LEU 90 2HB LEU 90 -5.682 2.326 7.820 627 HG LEU 90 HG LEU 90 -4.128 2.472 5.276 628 HD11 LEU 90 1HD1 LEU 90 -2.808 3.803 6.813 629 HD12 LEU 90 2HD1 LEU 90 -2.043 2.237 6.548 630 HD13 LEU 90 3HD1 LEU 90 -2.929 2.543 8.041 631 HD21 LEU 90 1HD2 LEU 90 -5.176 0.456 6.980 632 HD22 LEU 90 2HD2 LEU 90 -3.416 0.346 7.012 633 HD23 LEU 90 3HD2 LEU 90 -4.277 0.269 5.474 634 H HIS 91 H HIS 91 -6.236 2.715 3.561 635 HA HIS 91 HA HIS 91 -6.728 -0.182 3.627 636 HB2 HIS 91 1HB HIS 91 -8.665 1.307 2.716 637 HB3 HIS 91 2HB HIS 91 -7.640 1.472 1.294 638 HD1 HIS 91 1HD HIS 91 -7.737 -0.377 -0.380 639 HD2 HIS 91 2HD HIS 91 -9.403 -1.461 3.268 640 HE1 HIS 91 1HE HIS 91 -8.781 -2.633 -0.761 641 HE2 HIS 91 2HE HIS 91 -9.856 -3.230 1.437 642 H LEU 92 H LEU 92 -5.054 -1.267 2.848 643 HA LEU 92 HA LEU 92 -3.511 -0.130 0.632 644 HB2 LEU 92 1HB LEU 92 -2.183 -1.421 3.000 645 HB3 LEU 92 2HB LEU 92 -1.419 -0.570 1.659 646 HG LEU 92 HG LEU 92 -3.138 0.722 3.775 647 HD11 LEU 92 1HD1 LEU 92 -0.150 0.878 3.440 648 HD12 LEU 92 2HD1 LEU 92 -0.957 -0.187 4.591 649 HD13 LEU 92 3HD1 LEU 92 -1.128 1.562 4.738 650 HD21 LEU 92 1HD2 LEU 92 -2.913 2.682 2.684 651 HD22 LEU 92 2HD2 LEU 92 -2.718 1.637 1.277 652 HD23 LEU 92 3HD2 LEU 92 -1.298 2.293 2.093 653 H VAL 93 H VAL 93 -2.922 -1.583 -0.881 654 HA VAL 93 HA VAL 93 -3.782 -4.346 -0.481 655 HB VAL 93 HB VAL 93 -2.758 -3.166 -3.055 656 HG11 VAL 93 1HG1 VAL 93 -4.615 -5.466 -2.449 657 HG12 VAL 93 2HG1 VAL 93 -4.149 -4.919 -4.060 658 HG13 VAL 93 3HG1 VAL 93 -2.935 -5.592 -2.971 659 HG21 VAL 93 1HG2 VAL 93 -5.415 -2.844 -1.740 660 HG22 VAL 93 2HG2 VAL 93 -4.478 -1.685 -2.683 661 HG23 VAL 93 3HG2 VAL 93 -5.337 -2.993 -3.496 662 H ILE 94 H ILE 94 -2.292 -5.642 0.381 663 HA ILE 94 HA ILE 94 0.482 -5.416 -0.588 664 HB ILE 94 HB ILE 94 -0.489 -6.467 2.072 665 HG12 ILE 94 1HG1 ILE 94 -0.582 -4.018 1.894 666 HG13 ILE 94 2HG1 ILE 94 0.680 -4.525 3.012 667 HG21 ILE 94 1HG2 ILE 94 1.924 -6.606 2.621 668 HG22 ILE 94 2HG2 ILE 94 1.429 -7.724 1.351 669 HG23 ILE 94 3HG2 ILE 94 2.293 -6.245 0.935 670 HD11 ILE 94 1HD1 ILE 94 0.886 -2.860 0.726 671 HD12 ILE 94 2HD1 ILE 94 2.138 -3.316 1.882 672 HD13 ILE 94 3HD1 ILE 94 1.853 -4.309 0.453 673 H ARG 95 H ARG 95 1.577 -7.263 -1.193 674 HA ARG 95 HA ARG 95 0.052 -9.776 -1.200 675 HB2 ARG 95 1HB ARG 95 -0.241 -9.009 -3.413 676 HB3 ARG 95 2HB ARG 95 1.417 -8.435 -3.521 677 HG2 ARG 95 1HG ARG 95 2.136 -10.847 -3.349 678 HG3 ARG 95 2HG ARG 95 0.437 -11.273 -3.569 679 HD2 ARG 95 1HD ARG 95 1.356 -11.374 -5.721 680 HD3 ARG 95 2HD ARG 95 0.525 -9.821 -5.665 681 HE ARG 95 HE ARG 95 2.545 -8.769 -5.897 682 HH11 ARG 95 2HH1 ARG 95 3.080 -12.093 -5.011 683 HH12 ARG 95 1HH1 ARG 95 4.794 -12.018 -5.254 684 HH21 ARG 95 2HH2 ARG 95 4.800 -8.658 -6.219 685 HH22 ARG 95 1HH2 ARG 95 5.772 -10.063 -5.940 686 H ARG 96 H ARG 96 1.244 -10.806 0.337 687 HA ARG 96 HA ARG 96 3.976 -10.645 0.764 688 HB2 ARG 96 1HB ARG 96 2.080 -11.834 2.118 689 HB3 ARG 96 2HB ARG 96 2.533 -13.240 1.165 690 HG2 ARG 96 1HG ARG 96 4.953 -12.578 1.986 691 HG3 ARG 96 2HG ARG 96 4.038 -11.820 3.290 692 HD2 ARG 96 1HD ARG 96 2.811 -14.092 3.428 693 HD3 ARG 96 2HD ARG 96 4.188 -14.709 2.516 694 HE ARG 96 HE ARG 96 5.155 -13.260 4.704 695 HH11 ARG 96 2HH1 ARG 96 3.401 -16.190 4.028 696 HH12 ARG 96 1HH1 ARG 96 3.970 -17.012 5.443 697 HH21 ARG 96 2HH2 ARG 96 5.911 -14.331 6.571 698 HH22 ARG 96 1HH2 ARG 96 5.397 -15.953 6.890 699 HA PRO 97 HA PRO 97 5.580 -12.599 -2.888 700 HB2 PRO 97 1HB PRO 97 8.180 -12.605 -2.108 701 HB3 PRO 97 2HB PRO 97 7.354 -11.154 -2.687 702 HG2 PRO 97 1HG PRO 97 7.912 -12.022 0.123 703 HG3 PRO 97 2HG PRO 97 8.065 -10.410 -0.602 704 HD2 PRO 97 1HD PRO 97 5.943 -11.128 0.919 705 HD3 PRO 97 2HD PRO 97 5.808 -9.979 -0.428 706 H LEU 98 H LEU 98 7.116 -14.465 -3.340 707 HA LEU 98 HA LEU 98 6.963 -16.512 -1.233 708 HB2 LEU 98 1HB LEU 98 5.190 -16.706 -3.054 709 HB3 LEU 98 2HB LEU 98 6.515 -17.117 -4.142 710 HG LEU 98 HG LEU 98 5.673 -19.188 -3.548 711 HD11 LEU 98 1HD1 LEU 98 7.347 -20.257 -2.260 712 HD12 LEU 98 2HD1 LEU 98 7.720 -18.774 -1.383 713 HD13 LEU 98 3HD1 LEU 98 8.133 -18.915 -3.091 714 HD21 LEU 98 1HD2 LEU 98 4.901 -19.821 -1.365 715 HD22 LEU 98 2HD2 LEU 98 4.133 -18.297 -1.814 716 HD23 LEU 98 3HD2 LEU 98 5.478 -18.305 -0.672 717 H SER 99 H SER 99 8.367 -15.768 -4.422 718 HA SER 99 HA SER 99 10.625 -17.494 -3.959 719 HB2 SER 99 1HB SER 99 11.413 -16.690 -6.142 720 HB3 SER 99 2HB SER 99 9.721 -17.179 -6.228 721 HG SER 99 HG SER 99 10.857 -14.634 -6.385 722 H GLY 100 H GLY 100 12.546 -16.972 -3.116 723 HA2 GLY 100 1HA GLY 100 14.294 -15.129 -3.158 724 HA3 GLY 100 2HA GLY 100 13.017 -14.127 -2.486 725 HA PRO 101 HA PRO 101 14.458 -15.198 1.522 726 HB2 PRO 101 1HB PRO 101 12.210 -14.688 2.955 727 HB3 PRO 101 2HB PRO 101 13.231 -13.411 2.282 728 HG2 PRO 101 1HG PRO 101 10.673 -14.549 1.221 729 HG3 PRO 101 2HG PRO 101 11.193 -12.855 1.310 730 HD2 PRO 101 1HD PRO 101 11.332 -14.304 -0.974 731 HD3 PRO 101 2HD PRO 101 12.500 -13.026 -0.581 732 H SER 102 H SER 102 14.803 -17.208 2.207 733 HA SER 102 HA SER 102 12.518 -19.066 2.332 734 HB2 SER 102 1HB SER 102 15.434 -19.701 1.822 735 HB3 SER 102 2HB SER 102 14.149 -20.898 1.990 736 HG SER 102 HG SER 102 14.810 -19.327 -0.150 737 H SER 103 H SER 103 12.003 -18.521 4.468 738 HA SER 103 HA SER 103 14.012 -18.761 6.537 739 HB2 SER 103 1HB SER 103 12.149 -18.210 8.075 740 HB3 SER 103 2HB SER 103 12.295 -17.041 6.762 741 HG SER 103 HG SER 103 10.484 -17.802 5.856 742 H GLY 104 H GLY 104 10.981 -20.434 5.688 743 HA2 GLY 104 1HA GLY 104 12.097 -22.959 6.536 744 HA3 GLY 104 2HA GLY 104 10.819 -22.361 7.583 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -19.347 -17.781 -9.124 2 HA2 GLY 1 1HA GLY 1 -18.058 -16.281 -11.321 3 HA3 GLY 1 2HA GLY 1 -19.781 -16.618 -11.251 4 H SER 2 H SER 2 -19.013 -14.063 -11.642 5 HA SER 2 HA SER 2 -19.980 -12.784 -9.218 6 HB2 SER 2 1HB SER 2 -18.168 -11.052 -9.314 7 HB3 SER 2 2HB SER 2 -17.599 -12.655 -8.848 8 HG SER 2 HG SER 2 -16.193 -12.070 -10.382 9 H SER 3 H SER 3 -21.339 -11.157 -9.664 10 HA SER 3 HA SER 3 -21.492 -10.249 -12.461 11 HB2 SER 3 1HB SER 3 -23.841 -9.879 -12.139 12 HB3 SER 3 2HB SER 3 -23.476 -11.487 -11.515 13 HG SER 3 HG SER 3 -23.604 -9.156 -9.904 14 H GLY 4 H GLY 4 -21.743 -8.060 -12.923 15 HA2 GLY 4 1HA GLY 4 -22.099 -5.778 -12.225 16 HA3 GLY 4 2HA GLY 4 -21.446 -6.207 -10.651 17 H SER 5 H SER 5 -19.724 -4.903 -10.443 18 HA SER 5 HA SER 5 -18.045 -4.079 -12.547 19 HB2 SER 5 1HB SER 5 -18.311 -2.968 -10.281 20 HB3 SER 5 2HB SER 5 -17.256 -4.224 -9.633 21 HG SER 5 HG SER 5 -15.898 -3.420 -11.597 22 H SER 6 H SER 6 -16.831 -5.394 -13.729 23 HA SER 6 HA SER 6 -15.868 -7.908 -12.742 24 HB2 SER 6 1HB SER 6 -15.626 -6.419 -15.337 25 HB3 SER 6 2HB SER 6 -14.611 -7.828 -15.031 26 HG SER 6 HG SER 6 -16.605 -8.342 -16.082 27 H GLY 7 H GLY 7 -14.224 -8.002 -11.358 28 HA2 GLY 7 1HA GLY 7 -11.864 -6.314 -11.912 29 HA3 GLY 7 2HA GLY 7 -12.462 -6.551 -10.277 30 H GLN 8 H GLN 8 -9.895 -7.259 -11.781 31 HA GLN 8 HA GLN 8 -9.874 -10.158 -11.381 32 HB2 GLN 8 1HB GLN 8 -7.714 -10.119 -12.526 33 HB3 GLN 8 2HB GLN 8 -8.949 -9.318 -13.487 34 HG2 GLN 8 1HG GLN 8 -8.044 -7.162 -12.333 35 HG3 GLN 8 2HG GLN 8 -6.614 -8.153 -12.052 36 HE21 GLN 8 1HE2 GLN 8 -8.591 -6.574 -14.419 37 HE22 GLN 8 2HE2 GLN 8 -7.499 -6.741 -15.746 38 H ALA 9 H ALA 9 -9.760 -10.433 -9.189 39 HA ALA 9 HA ALA 9 -7.354 -9.350 -7.874 40 HB1 ALA 9 1HB ALA 9 -9.963 -8.805 -7.172 41 HB2 ALA 9 2HB ALA 9 -9.492 -10.079 -6.045 42 HB3 ALA 9 3HB ALA 9 -8.543 -8.596 -6.145 43 H SER 10 H SER 10 -5.956 -10.843 -7.229 44 HA SER 10 HA SER 10 -6.904 -13.430 -6.281 45 HB2 SER 10 1HB SER 10 -5.265 -13.016 -8.748 46 HB3 SER 10 2HB SER 10 -4.949 -14.433 -7.747 47 HG SER 10 HG SER 10 -7.430 -13.699 -8.915 48 H GLY 11 H GLY 11 -6.038 -13.496 -4.311 49 HA2 GLY 11 1HA GLY 11 -4.278 -13.860 -2.814 50 HA3 GLY 11 2HA GLY 11 -3.149 -13.309 -4.043 51 H HIS 12 H HIS 12 -3.738 -10.848 -4.652 52 HA HIS 12 HA HIS 12 -2.747 -9.224 -2.731 53 HB2 HIS 12 1HB HIS 12 -4.971 -8.126 -4.404 54 HB3 HIS 12 2HB HIS 12 -3.409 -7.411 -4.014 55 HD1 HIS 12 1HD HIS 12 -5.160 -9.315 -6.595 56 HD2 HIS 12 2HD HIS 12 -1.214 -8.569 -5.528 57 HE1 HIS 12 1HE HIS 12 -3.787 -9.961 -8.601 58 HE2 HIS 12 2HE HIS 12 -1.397 -9.582 -7.901 59 H PHE 13 H PHE 13 -3.345 -8.557 -0.782 60 HA PHE 13 HA PHE 13 -6.204 -8.689 -0.078 61 HB2 PHE 13 1HB PHE 13 -5.480 -9.108 2.248 62 HB3 PHE 13 2HB PHE 13 -4.918 -10.359 1.144 63 HD1 PHE 13 2HD PHE 13 -3.927 -7.536 3.250 64 HD2 PHE 13 1HD PHE 13 -2.577 -10.627 0.653 65 HE1 PHE 13 2HE PHE 13 -1.621 -7.179 4.029 66 HE2 PHE 13 1HE PHE 13 -0.269 -10.275 1.429 67 HZ PHE 13 HZ PHE 13 0.212 -8.549 3.119 68 H SER 14 H SER 14 -6.899 -7.158 1.603 69 HA SER 14 HA SER 14 -5.500 -4.587 1.294 70 HB2 SER 14 1HB SER 14 -7.593 -3.485 1.553 71 HB3 SER 14 2HB SER 14 -7.891 -4.828 0.450 72 HG SER 14 HG SER 14 -9.502 -4.855 1.973 73 H VAL 15 H VAL 15 -5.387 -3.161 3.111 74 HA VAL 15 HA VAL 15 -5.436 -4.585 5.692 75 HB VAL 15 HB VAL 15 -3.655 -2.287 4.868 76 HG11 VAL 15 1HG1 VAL 15 -3.108 -3.877 7.298 77 HG12 VAL 15 2HG1 VAL 15 -2.869 -2.157 6.987 78 HG13 VAL 15 3HG1 VAL 15 -4.477 -2.770 7.373 79 HG21 VAL 15 1HG2 VAL 15 -2.424 -4.826 5.629 80 HG22 VAL 15 2HG2 VAL 15 -3.395 -4.920 4.160 81 HG23 VAL 15 3HG2 VAL 15 -2.073 -3.757 4.271 82 H GLU 16 H GLU 16 -6.929 -3.905 7.068 83 HA GLU 16 HA GLU 16 -7.952 -1.159 6.795 84 HB2 GLU 16 1HB GLU 16 -9.302 -3.521 8.112 85 HB3 GLU 16 2HB GLU 16 -10.007 -1.937 7.821 86 HG2 GLU 16 1HG GLU 16 -9.620 -2.384 5.353 87 HG3 GLU 16 2HG GLU 16 -9.304 -4.055 5.819 88 H LEU 17 H LEU 17 -6.920 0.124 8.193 89 HA LEU 17 HA LEU 17 -6.708 -0.782 10.988 90 HB2 LEU 17 1HB LEU 17 -4.772 1.011 9.531 91 HB3 LEU 17 2HB LEU 17 -4.650 0.487 11.209 92 HG LEU 17 HG LEU 17 -4.506 -1.369 8.836 93 HD11 LEU 17 1HD1 LEU 17 -2.618 0.143 8.786 94 HD12 LEU 17 2HD1 LEU 17 -2.094 -1.457 9.310 95 HD13 LEU 17 3HD1 LEU 17 -2.294 -0.164 10.493 96 HD21 LEU 17 1HD2 LEU 17 -4.910 -2.878 10.439 97 HD22 LEU 17 2HD2 LEU 17 -4.601 -1.724 11.737 98 HD23 LEU 17 3HD2 LEU 17 -3.255 -2.557 10.956 99 H VAL 18 H VAL 18 -6.747 0.938 12.589 100 HA VAL 18 HA VAL 18 -8.354 3.234 11.677 101 HB VAL 18 HB VAL 18 -8.295 1.930 14.402 102 HG11 VAL 18 1HG1 VAL 18 -8.951 3.961 15.090 103 HG12 VAL 18 2HG1 VAL 18 -9.319 4.505 13.452 104 HG13 VAL 18 3HG1 VAL 18 -10.494 3.541 14.347 105 HG21 VAL 18 1HG2 VAL 18 -10.070 1.677 12.036 106 HG22 VAL 18 2HG2 VAL 18 -9.582 0.464 13.220 107 HG23 VAL 18 3HG2 VAL 18 -10.818 1.652 13.633 108 H ARG 19 H ARG 19 -7.395 5.147 11.751 109 HA ARG 19 HA ARG 19 -4.871 5.774 12.406 110 HB2 ARG 19 1HB ARG 19 -6.430 7.377 11.410 111 HB3 ARG 19 2HB ARG 19 -7.272 7.531 12.946 112 HG2 ARG 19 1HG ARG 19 -5.562 8.745 13.914 113 HG3 ARG 19 2HG ARG 19 -4.355 8.145 12.775 114 HD2 ARG 19 1HD ARG 19 -5.578 9.413 10.979 115 HD3 ARG 19 2HD ARG 19 -6.542 10.149 12.259 116 HE ARG 19 HE ARG 19 -3.862 10.815 11.527 117 HH11 ARG 19 2HH1 ARG 19 -6.112 10.703 14.181 118 HH12 ARG 19 1HH1 ARG 19 -5.316 11.952 15.079 119 HH21 ARG 19 2HH2 ARG 19 -2.805 12.461 12.700 120 HH22 ARG 19 1HH2 ARG 19 -3.435 12.952 14.235 121 H GLY 20 H GLY 20 -3.631 5.688 14.157 122 HA2 GLY 20 1HA GLY 20 -4.948 5.511 16.785 123 HA3 GLY 20 2HA GLY 20 -3.348 4.889 16.406 124 H TYR 21 H TYR 21 -1.705 6.038 17.154 125 HA TYR 21 HA TYR 21 -2.184 8.721 18.160 126 HB2 TYR 21 1HB TYR 21 -0.895 6.914 19.417 127 HB3 TYR 21 2HB TYR 21 0.413 7.190 18.272 128 HD1 TYR 21 1HD TYR 21 -1.807 9.113 20.585 129 HD2 TYR 21 2HD TYR 21 2.051 8.717 18.836 130 HE1 TYR 21 1HE TYR 21 -0.994 10.973 21.973 131 HE2 TYR 21 2HE TYR 21 2.875 10.576 20.221 132 HH TYR 21 HH TYR 21 0.958 11.952 22.780 133 H ALA 22 H ALA 22 -1.658 10.522 17.117 134 HA ALA 22 HA ALA 22 -1.071 11.803 15.288 135 HB1 ALA 22 1HB ALA 22 0.800 12.467 16.350 136 HB2 ALA 22 2HB ALA 22 1.324 10.816 16.685 137 HB3 ALA 22 3HB ALA 22 1.608 11.526 15.096 138 H GLY 23 H GLY 23 -2.180 9.620 14.206 139 HA2 GLY 23 1HA GLY 23 -2.123 9.118 11.830 140 HA3 GLY 23 2HA GLY 23 -0.373 9.017 11.952 141 H PHE 24 H PHE 24 -0.498 6.942 10.949 142 HA PHE 24 HA PHE 24 -1.696 4.818 12.573 143 HB2 PHE 24 1HB PHE 24 -0.716 4.913 9.724 144 HB3 PHE 24 2HB PHE 24 -1.107 3.397 10.530 145 HD1 PHE 24 1HD PHE 24 -3.412 2.894 11.179 146 HD2 PHE 24 2HD PHE 24 -2.424 6.419 9.008 147 HE1 PHE 24 1HE PHE 24 -5.781 3.186 10.583 148 HE2 PHE 24 2HE PHE 24 -4.792 6.718 8.410 149 HZ PHE 24 HZ PHE 24 -6.474 5.101 9.197 150 H GLY 25 H GLY 25 1.354 6.113 11.545 151 HA2 GLY 25 1HA GLY 25 3.414 5.718 12.585 152 HA3 GLY 25 2HA GLY 25 2.724 4.301 13.363 153 H LEU 26 H LEU 26 2.235 4.641 9.973 154 HA LEU 26 HA LEU 26 4.211 2.509 9.509 155 HB2 LEU 26 1HB LEU 26 1.851 1.912 9.107 156 HB3 LEU 26 2HB LEU 26 1.753 3.194 7.902 157 HG LEU 26 HG LEU 26 3.523 1.977 6.603 158 HD11 LEU 26 1HD1 LEU 26 4.186 0.647 8.723 159 HD12 LEU 26 2HD1 LEU 26 4.215 -0.158 7.155 160 HD13 LEU 26 3HD1 LEU 26 2.865 -0.425 8.257 161 HD21 LEU 26 1HD2 LEU 26 0.746 1.125 7.062 162 HD22 LEU 26 2HD2 LEU 26 1.770 -0.049 6.235 163 HD23 LEU 26 3HD2 LEU 26 1.567 1.571 5.567 164 H THR 27 H THR 27 5.878 2.895 8.203 165 HA THR 27 HA THR 27 5.749 5.248 6.431 166 HB THR 27 HB THR 27 8.201 4.264 7.902 167 HG1 THR 27 1HG THR 27 6.818 6.708 8.326 168 HG21 THR 27 1HG2 THR 27 7.718 6.325 5.818 169 HG22 THR 27 2HG2 THR 27 9.128 5.302 6.092 170 HG23 THR 27 3HG2 THR 27 8.855 6.718 7.106 171 H LEU 28 H LEU 28 6.865 5.113 4.453 172 HA LEU 28 HA LEU 28 7.398 2.354 3.585 173 HB2 LEU 28 1HB LEU 28 6.260 4.750 2.258 174 HB3 LEU 28 2HB LEU 28 7.220 3.652 1.268 175 HG LEU 28 HG LEU 28 4.923 2.646 2.916 176 HD11 LEU 28 1HD1 LEU 28 4.341 3.091 0.101 177 HD12 LEU 28 2HD1 LEU 28 4.595 4.587 0.999 178 HD13 LEU 28 3HD1 LEU 28 3.368 3.438 1.531 179 HD21 LEU 28 1HD2 LEU 28 4.941 1.091 0.804 180 HD22 LEU 28 2HD2 LEU 28 6.078 0.827 2.127 181 HD23 LEU 28 3HD2 LEU 28 6.606 1.658 0.663 182 H GLY 29 H GLY 29 9.192 1.925 2.216 183 HA2 GLY 29 1HA GLY 29 11.278 4.013 2.241 184 HA3 GLY 29 2HA GLY 29 11.639 2.367 2.738 185 H GLY 30 H GLY 30 11.401 4.535 0.126 186 HA2 GLY 30 1HA GLY 30 12.756 3.741 -1.827 187 HA3 GLY 30 2HA GLY 30 11.746 2.304 -1.781 188 H GLY 31 H GLY 31 10.720 2.425 -3.708 189 HA2 GLY 31 1HA GLY 31 8.782 3.082 -4.884 190 HA3 GLY 31 2HA GLY 31 8.799 4.608 -4.013 191 H ARG 32 H ARG 32 8.739 6.023 -5.684 192 HA ARG 32 HA ARG 32 10.664 5.721 -7.864 193 HB2 ARG 32 1HB ARG 32 8.133 6.311 -8.118 194 HB3 ARG 32 2HB ARG 32 8.651 7.935 -7.687 195 HG2 ARG 32 1HG ARG 32 10.108 6.522 -9.856 196 HG3 ARG 32 2HG ARG 32 8.496 7.158 -10.193 197 HD2 ARG 32 1HD ARG 32 9.286 9.364 -9.295 198 HD3 ARG 32 2HD ARG 32 10.912 8.684 -9.239 199 HE ARG 32 HE ARG 32 9.992 8.277 -11.810 200 HH11 ARG 32 2HH1 ARG 32 10.618 10.991 -9.721 201 HH12 ARG 32 1HH1 ARG 32 11.009 12.068 -11.021 202 HH21 ARG 32 2HH2 ARG 32 10.505 9.686 -13.530 203 HH22 ARG 32 1HH2 ARG 32 10.944 11.325 -13.187 204 H ASP 33 H ASP 33 12.604 6.576 -7.535 205 HA ASP 33 HA ASP 33 12.788 9.120 -6.059 206 HB2 ASP 33 1HB ASP 33 13.934 7.034 -5.107 207 HB3 ASP 33 2HB ASP 33 15.063 7.182 -6.452 208 H VAL 34 H VAL 34 13.972 10.800 -6.907 209 HA VAL 34 HA VAL 34 14.046 11.163 -9.644 210 HB VAL 34 HB VAL 34 14.189 13.055 -8.162 211 HG11 VAL 34 1HG1 VAL 34 16.181 13.545 -6.845 212 HG12 VAL 34 2HG1 VAL 34 15.480 11.997 -6.369 213 HG13 VAL 34 3HG1 VAL 34 16.922 12.039 -7.385 214 HG21 VAL 34 1HG2 VAL 34 16.771 12.883 -9.709 215 HG22 VAL 34 2HG2 VAL 34 15.198 13.214 -10.435 216 HG23 VAL 34 3HG2 VAL 34 15.886 14.343 -9.267 217 H ALA 35 H ALA 35 16.520 9.853 -7.514 218 HA ALA 35 HA ALA 35 18.154 9.241 -9.891 219 HB1 ALA 35 1HB ALA 35 20.136 9.384 -8.528 220 HB2 ALA 35 2HB ALA 35 19.211 10.877 -8.367 221 HB3 ALA 35 3HB ALA 35 19.164 9.669 -7.083 222 H GLY 36 H GLY 36 15.976 7.675 -8.633 223 HA2 GLY 36 1HA GLY 36 17.249 5.133 -8.695 224 HA3 GLY 36 2HA GLY 36 16.856 5.585 -7.042 225 H ASP 37 H ASP 37 15.810 3.408 -8.732 226 HA ASP 37 HA ASP 37 12.962 4.063 -8.437 227 HB2 ASP 37 1HB ASP 37 12.602 2.572 -10.506 228 HB3 ASP 37 2HB ASP 37 13.186 4.213 -10.770 229 H THR 38 H THR 38 12.232 2.776 -6.887 230 HA THR 38 HA THR 38 12.826 -0.088 -7.035 231 HB THR 38 HB THR 38 13.144 -0.209 -4.583 232 HG1 THR 38 1HG THR 38 12.429 1.548 -3.604 233 HG21 THR 38 1HG2 THR 38 15.336 -0.119 -4.977 234 HG22 THR 38 2HG2 THR 38 15.288 1.641 -5.087 235 HG23 THR 38 3HG2 THR 38 14.983 0.659 -6.519 236 HA PRO 39 HA PRO 39 8.536 -0.573 -6.218 237 HB2 PRO 39 1HB PRO 39 8.530 -2.997 -4.995 238 HB3 PRO 39 2HB PRO 39 8.823 -2.795 -6.726 239 HG2 PRO 39 1HG PRO 39 10.792 -3.184 -4.506 240 HG3 PRO 39 2HG PRO 39 10.762 -3.925 -6.117 241 HD2 PRO 39 1HD PRO 39 12.370 -1.834 -5.504 242 HD3 PRO 39 2HD PRO 39 11.684 -2.069 -7.125 243 H LEU 40 H LEU 40 7.412 0.504 -4.731 244 HA LEU 40 HA LEU 40 8.231 1.247 -2.219 245 HB2 LEU 40 1HB LEU 40 5.578 0.972 -3.528 246 HB3 LEU 40 2HB LEU 40 5.614 1.239 -1.786 247 HG LEU 40 HG LEU 40 6.927 3.059 -3.800 248 HD11 LEU 40 1HD1 LEU 40 4.358 3.589 -2.339 249 HD12 LEU 40 2HD1 LEU 40 4.396 2.875 -3.950 250 HD13 LEU 40 3HD1 LEU 40 5.065 4.485 -3.684 251 HD21 LEU 40 1HD2 LEU 40 7.580 2.868 -1.245 252 HD22 LEU 40 2HD2 LEU 40 6.143 3.873 -1.051 253 HD23 LEU 40 3HD2 LEU 40 7.479 4.428 -2.062 254 H ALA 41 H ALA 41 8.433 0.287 -0.300 255 HA ALA 41 HA ALA 41 6.846 -2.046 0.377 256 HB1 ALA 41 1HB ALA 41 8.595 -3.564 0.688 257 HB2 ALA 41 2HB ALA 41 8.953 -2.805 -0.864 258 HB3 ALA 41 3HB ALA 41 9.827 -2.306 0.584 259 H VAL 42 H VAL 42 6.512 -2.251 2.541 260 HA VAL 42 HA VAL 42 6.661 -0.190 4.274 261 HB VAL 42 HB VAL 42 6.963 -3.113 4.965 262 HG11 VAL 42 1HG1 VAL 42 6.144 -0.866 6.798 263 HG12 VAL 42 2HG1 VAL 42 6.357 -2.567 7.218 264 HG13 VAL 42 3HG1 VAL 42 7.753 -1.586 6.770 265 HG21 VAL 42 1HG2 VAL 42 4.750 -1.459 4.119 266 HG22 VAL 42 2HG2 VAL 42 4.835 -3.209 4.315 267 HG23 VAL 42 3HG2 VAL 42 4.445 -2.186 5.697 268 H ARG 43 H ARG 43 8.087 0.707 5.700 269 HA ARG 43 HA ARG 43 10.867 -0.258 5.539 270 HB2 ARG 43 1HB ARG 43 10.263 2.041 4.561 271 HB3 ARG 43 2HB ARG 43 10.070 2.560 6.230 272 HG2 ARG 43 1HG ARG 43 12.597 1.258 5.285 273 HG3 ARG 43 2HG ARG 43 12.313 2.988 5.083 274 HD2 ARG 43 1HD ARG 43 11.900 3.143 7.531 275 HD3 ARG 43 2HD ARG 43 12.353 1.445 7.672 276 HE ARG 43 HE ARG 43 14.373 2.968 6.366 277 HH11 ARG 43 2HH1 ARG 43 13.029 2.208 9.487 278 HH12 ARG 43 1HH1 ARG 43 14.504 2.516 10.342 279 HH21 ARG 43 2HH2 ARG 43 16.321 3.377 7.481 280 HH22 ARG 43 1HH2 ARG 43 16.375 3.182 9.200 281 H GLY 44 H GLY 44 8.954 1.836 7.711 282 HA2 GLY 44 1HA GLY 44 10.100 0.319 9.974 283 HA3 GLY 44 2HA GLY 44 9.800 2.050 10.027 284 H LEU 45 H LEU 45 8.805 0.118 11.877 285 HA LEU 45 HA LEU 45 5.921 0.484 11.428 286 HB2 LEU 45 1HB LEU 45 7.420 -1.971 12.163 287 HB3 LEU 45 2HB LEU 45 5.853 -1.707 12.926 288 HG LEU 45 HG LEU 45 6.219 -1.691 9.939 289 HD11 LEU 45 1HD1 LEU 45 5.148 -4.044 10.224 290 HD12 LEU 45 2HD1 LEU 45 5.888 -3.983 11.824 291 HD13 LEU 45 3HD1 LEU 45 6.894 -3.849 10.381 292 HD21 LEU 45 1HD2 LEU 45 3.995 -1.449 9.821 293 HD22 LEU 45 2HD2 LEU 45 4.125 -0.879 11.485 294 HD23 LEU 45 3HD2 LEU 45 3.703 -2.561 11.158 295 H LEU 46 H LEU 46 5.494 2.107 12.811 296 HA LEU 46 HA LEU 46 6.730 2.854 15.111 297 HB2 LEU 46 1HB LEU 46 4.618 3.782 13.852 298 HB3 LEU 46 2HB LEU 46 3.748 2.877 15.089 299 HG LEU 46 HG LEU 46 5.312 4.233 16.716 300 HD11 LEU 46 1HD1 LEU 46 6.706 5.415 15.293 301 HD12 LEU 46 2HD1 LEU 46 5.464 6.601 15.695 302 HD13 LEU 46 3HD1 LEU 46 5.412 5.760 14.145 303 HD21 LEU 46 1HD2 LEU 46 3.432 5.322 17.264 304 HD22 LEU 46 2HD2 LEU 46 2.690 4.364 15.983 305 HD23 LEU 46 3HD2 LEU 46 3.240 6.007 15.650 306 H LYS 47 H LYS 47 6.922 2.149 17.151 307 HA LYS 47 HA LYS 47 6.173 -0.492 17.828 308 HB2 LYS 47 1HB LYS 47 8.140 0.802 18.746 309 HB3 LYS 47 2HB LYS 47 6.998 1.685 19.751 310 HG2 LYS 47 1HG LYS 47 6.965 -1.284 19.858 311 HG3 LYS 47 2HG LYS 47 8.287 -0.423 20.652 312 HD2 LYS 47 1HD LYS 47 6.873 0.619 22.161 313 HD3 LYS 47 2HD LYS 47 5.457 0.422 21.126 314 HE2 LYS 47 1HE LYS 47 5.135 -1.116 22.862 315 HE3 LYS 47 2HE LYS 47 5.738 -2.086 21.519 316 HZ1 LYS 47 1HZ LYS 47 7.954 -1.214 22.942 317 HZ2 LYS 47 2HZ LYS 47 7.344 -2.789 22.847 318 HZ3 LYS 47 3HZ LYS 47 6.841 -1.762 24.093 319 H ASP 48 H ASP 48 4.410 -1.290 18.791 320 HA ASP 48 HA ASP 48 2.350 -1.422 19.747 321 HB2 ASP 48 1HB ASP 48 3.589 -0.246 21.610 322 HB3 ASP 48 2HB ASP 48 2.947 1.270 20.982 323 H GLY 49 H GLY 49 2.479 -0.425 17.140 324 HA2 GLY 49 1HA GLY 49 0.483 1.737 17.097 325 HA3 GLY 49 2HA GLY 49 1.502 1.264 15.746 326 HA PRO 50 HA PRO 50 -2.808 -0.716 15.570 327 HB2 PRO 50 1HB PRO 50 -3.793 0.734 13.497 328 HB3 PRO 50 2HB PRO 50 -3.990 1.216 15.186 329 HG2 PRO 50 1HG PRO 50 -2.009 2.180 13.159 330 HG3 PRO 50 2HG PRO 50 -2.944 3.114 14.341 331 HD2 PRO 50 1HD PRO 50 -0.348 2.453 14.733 332 HD3 PRO 50 2HD PRO 50 -1.506 2.604 16.069 333 H ALA 51 H ALA 51 -0.309 0.175 13.319 334 HA ALA 51 HA ALA 51 -1.186 -1.763 11.331 335 HB1 ALA 51 1HB ALA 51 1.209 0.070 11.363 336 HB2 ALA 51 2HB ALA 51 0.716 -0.952 10.012 337 HB3 ALA 51 3HB ALA 51 -0.325 0.369 10.544 338 H GLN 52 H GLN 52 1.499 -1.265 13.586 339 HA GLN 52 HA GLN 52 2.927 -3.601 12.836 340 HB2 GLN 52 1HB GLN 52 4.094 -1.819 13.950 341 HB3 GLN 52 2HB GLN 52 3.010 -1.905 15.333 342 HG2 GLN 52 1HG GLN 52 5.052 -2.928 15.960 343 HG3 GLN 52 2HG GLN 52 3.860 -4.211 15.756 344 HE21 GLN 52 1HE2 GLN 52 4.000 -5.569 13.940 345 HE22 GLN 52 2HE2 GLN 52 5.475 -5.740 13.057 346 H ARG 53 H ARG 53 0.623 -2.889 15.433 347 HA ARG 53 HA ARG 53 0.769 -5.329 16.780 348 HB2 ARG 53 1HB ARG 53 -1.291 -3.183 16.540 349 HB3 ARG 53 2HB ARG 53 -1.758 -4.709 17.279 350 HG2 ARG 53 1HG ARG 53 0.351 -4.361 18.742 351 HG3 ARG 53 2HG ARG 53 0.218 -2.680 18.222 352 HD2 ARG 53 1HD ARG 53 -0.936 -2.950 20.317 353 HD3 ARG 53 2HD ARG 53 -2.117 -2.656 19.041 354 HE ARG 53 HE ARG 53 -1.958 -5.376 19.220 355 HH11 ARG 53 2HH1 ARG 53 -2.650 -2.792 21.447 356 HH12 ARG 53 1HH1 ARG 53 -3.701 -3.750 22.436 357 HH21 ARG 53 2HH2 ARG 53 -3.340 -6.649 20.514 358 HH22 ARG 53 1HH2 ARG 53 -4.092 -5.944 21.905 359 H CYS 54 H CYS 54 -1.420 -4.319 14.165 360 HA CYS 54 HA CYS 54 -2.920 -6.646 13.963 361 HB2 CYS 54 1HB CYS 54 -2.212 -4.443 12.083 362 HB3 CYS 54 2HB CYS 54 -2.951 -5.891 11.411 363 HG CYS 54 HG CYS 54 -4.306 -3.506 13.371 364 H GLY 55 H GLY 55 0.277 -5.904 12.723 365 HA2 GLY 55 1HA GLY 55 1.937 -7.415 12.118 366 HA3 GLY 55 2HA GLY 55 0.768 -8.719 12.274 367 H ARG 56 H ARG 56 -1.204 -7.736 10.517 368 HA ARG 56 HA ARG 56 -0.709 -8.864 8.155 369 HB2 ARG 56 1HB ARG 56 -2.132 -6.220 8.512 370 HB3 ARG 56 2HB ARG 56 -2.257 -7.245 7.089 371 HG2 ARG 56 1HG ARG 56 -3.157 -9.049 8.555 372 HG3 ARG 56 2HG ARG 56 -3.182 -7.882 9.879 373 HD2 ARG 56 1HD ARG 56 -4.624 -6.421 8.448 374 HD3 ARG 56 2HD ARG 56 -4.713 -7.745 7.287 375 HE ARG 56 HE ARG 56 -5.477 -8.740 9.777 376 HH11 ARG 56 2HH1 ARG 56 -6.596 -6.446 7.408 377 HH12 ARG 56 1HH1 ARG 56 -8.269 -6.650 7.809 378 HH21 ARG 56 2HH2 ARG 56 -7.677 -9.017 10.314 379 HH22 ARG 56 1HH2 ARG 56 -8.882 -8.112 9.462 380 H LEU 57 H LEU 57 0.473 -5.695 9.119 381 HA LEU 57 HA LEU 57 1.875 -5.426 6.556 382 HB2 LEU 57 1HB LEU 57 1.281 -3.464 8.758 383 HB3 LEU 57 2HB LEU 57 2.361 -3.102 7.413 384 HG LEU 57 HG LEU 57 -0.579 -3.746 7.188 385 HD11 LEU 57 1HD1 LEU 57 -0.862 -1.609 7.735 386 HD12 LEU 57 2HD1 LEU 57 -0.094 -1.209 6.199 387 HD13 LEU 57 3HD1 LEU 57 0.870 -1.285 7.673 388 HD21 LEU 57 1HD2 LEU 57 1.515 -3.066 5.135 389 HD22 LEU 57 2HD2 LEU 57 -0.219 -2.950 4.831 390 HD23 LEU 57 3HD2 LEU 57 0.507 -4.511 5.219 391 H GLU 58 H GLU 58 3.987 -5.800 6.411 392 HA GLU 58 HA GLU 58 5.650 -5.590 8.816 393 HB2 GLU 58 1HB GLU 58 5.203 -8.013 7.142 394 HB3 GLU 58 2HB GLU 58 6.830 -7.722 7.741 395 HG2 GLU 58 1HG GLU 58 4.320 -8.147 9.330 396 HG3 GLU 58 2HG GLU 58 5.776 -9.140 9.300 397 H VAL 59 H VAL 59 7.965 -5.476 8.334 398 HA VAL 59 HA VAL 59 8.505 -3.659 6.236 399 HB VAL 59 HB VAL 59 10.406 -5.242 7.968 400 HG11 VAL 59 1HG1 VAL 59 12.147 -3.749 7.250 401 HG12 VAL 59 2HG1 VAL 59 11.417 -4.492 5.825 402 HG13 VAL 59 3HG1 VAL 59 11.011 -2.832 6.262 403 HG21 VAL 59 1HG2 VAL 59 10.642 -3.131 9.198 404 HG22 VAL 59 2HG2 VAL 59 9.424 -2.394 8.155 405 HG23 VAL 59 3HG2 VAL 59 8.981 -3.723 9.226 406 H GLY 60 H GLY 60 8.984 -4.006 4.168 407 HA2 GLY 60 1HA GLY 60 10.370 -5.170 2.536 408 HA3 GLY 60 2HA GLY 60 10.029 -6.659 3.404 409 H ASP 61 H ASP 61 7.179 -5.930 3.727 410 HA ASP 61 HA ASP 61 6.041 -7.332 1.676 411 HB2 ASP 61 1HB ASP 61 4.882 -5.088 3.330 412 HB3 ASP 61 2HB ASP 61 3.915 -6.059 2.223 413 H LEU 62 H LEU 62 5.035 -6.846 -0.277 414 HA LEU 62 HA LEU 62 6.004 -4.387 -1.548 415 HB2 LEU 62 1HB LEU 62 4.758 -6.735 -2.944 416 HB3 LEU 62 2HB LEU 62 5.786 -5.476 -3.626 417 HG LEU 62 HG LEU 62 6.780 -7.508 -1.638 418 HD11 LEU 62 1HD1 LEU 62 5.848 -8.432 -3.857 419 HD12 LEU 62 2HD1 LEU 62 7.468 -8.912 -3.352 420 HD13 LEU 62 3HD1 LEU 62 7.262 -7.671 -4.588 421 HD21 LEU 62 1HD2 LEU 62 8.872 -6.733 -3.188 422 HD22 LEU 62 2HD2 LEU 62 8.465 -6.026 -1.624 423 HD23 LEU 62 3HD2 LEU 62 7.926 -5.246 -3.112 424 H VAL 63 H VAL 63 4.659 -2.803 -2.118 425 HA VAL 63 HA VAL 63 1.788 -3.214 -1.718 426 HB VAL 63 HB VAL 63 3.135 -0.573 -2.237 427 HG11 VAL 63 1HG1 VAL 63 0.985 -0.339 -0.459 428 HG12 VAL 63 2HG1 VAL 63 1.037 0.156 -2.152 429 HG13 VAL 63 3HG1 VAL 63 0.447 -1.449 -1.720 430 HG21 VAL 63 1HG2 VAL 63 3.493 -0.248 0.075 431 HG22 VAL 63 2HG2 VAL 63 2.590 -1.703 0.498 432 HG23 VAL 63 3HG2 VAL 63 4.160 -1.839 -0.295 433 H LEU 64 H LEU 64 0.525 -3.566 -3.411 434 HA LEU 64 HA LEU 64 1.494 -2.968 -6.092 435 HB2 LEU 64 1HB LEU 64 -0.883 -4.507 -5.073 436 HB3 LEU 64 2HB LEU 64 -0.581 -4.210 -6.784 437 HG LEU 64 HG LEU 64 0.102 -6.460 -6.112 438 HD11 LEU 64 1HD1 LEU 64 1.388 -4.881 -7.785 439 HD12 LEU 64 2HD1 LEU 64 2.002 -6.482 -7.376 440 HD13 LEU 64 3HD1 LEU 64 2.676 -5.053 -6.593 441 HD21 LEU 64 1HD2 LEU 64 1.940 -6.817 -4.586 442 HD22 LEU 64 2HD2 LEU 64 0.659 -5.922 -3.769 443 HD23 LEU 64 3HD2 LEU 64 2.105 -5.080 -4.329 444 H HIS 65 H HIS 65 -1.256 -2.202 -3.993 445 HA HIS 65 HA HIS 65 -1.644 0.283 -5.458 446 HB2 HIS 65 1HB HIS 65 -3.910 -1.676 -5.028 447 HB3 HIS 65 2HB HIS 65 -4.048 -0.072 -5.740 448 HD1 HIS 65 1HD HIS 65 -1.933 -0.010 -7.827 449 HD2 HIS 65 2HD HIS 65 -4.177 -3.423 -7.065 450 HE1 HIS 65 1HE HIS 65 -1.800 -1.385 -9.928 451 HE2 HIS 65 2HE HIS 65 -3.235 -3.405 -9.474 452 H ILE 66 H ILE 66 -3.373 1.644 -4.340 453 HA ILE 66 HA ILE 66 -3.614 1.072 -1.485 454 HB ILE 66 HB ILE 66 -2.375 3.604 -2.570 455 HG12 ILE 66 1HG1 ILE 66 -1.239 1.632 -0.585 456 HG13 ILE 66 2HG1 ILE 66 -0.927 1.535 -2.314 457 HG21 ILE 66 1HG2 ILE 66 -2.403 3.332 0.310 458 HG22 ILE 66 2HG2 ILE 66 -2.921 4.681 -0.701 459 HG23 ILE 66 3HG2 ILE 66 -4.034 3.356 -0.360 460 HD11 ILE 66 1HD1 ILE 66 0.733 2.970 -2.097 461 HD12 ILE 66 2HD1 ILE 66 -0.378 4.183 -1.458 462 HD13 ILE 66 3HD1 ILE 66 0.425 3.059 -0.363 463 H ASN 67 H ASN 67 -5.574 1.575 -0.749 464 HA ASN 67 HA ASN 67 -7.739 2.284 -0.729 465 HB2 ASN 67 1HB ASN 67 -6.224 4.726 -1.604 466 HB3 ASN 67 2HB ASN 67 -7.978 4.770 -1.461 467 HD21 ASN 67 1HD2 ASN 67 -5.058 5.085 0.150 468 HD22 ASN 67 2HD2 ASN 67 -5.657 5.102 1.770 469 H GLY 68 H GLY 68 -7.170 0.719 -2.926 470 HA2 GLY 68 1HA GLY 68 -8.027 0.120 -4.970 471 HA3 GLY 68 2HA GLY 68 -9.326 1.253 -4.627 472 H GLU 69 H GLU 69 -6.074 2.427 -4.722 473 HA GLU 69 HA GLU 69 -6.642 3.675 -7.330 474 HB2 GLU 69 1HB GLU 69 -5.017 4.751 -5.019 475 HB3 GLU 69 2HB GLU 69 -5.176 5.534 -6.586 476 HG2 GLU 69 1HG GLU 69 -7.579 4.881 -4.926 477 HG3 GLU 69 2HG GLU 69 -6.646 6.352 -4.657 478 H SER 70 H SER 70 -5.396 2.990 -8.928 479 HA SER 70 HA SER 70 -3.221 1.249 -8.595 480 HB2 SER 70 1HB SER 70 -3.922 2.962 -10.992 481 HB3 SER 70 2HB SER 70 -2.824 1.582 -11.005 482 HG SER 70 HG SER 70 -5.613 1.582 -10.500 483 H THR 71 H THR 71 -1.173 1.606 -8.074 484 HA THR 71 HA THR 71 -0.205 4.338 -7.862 485 HB THR 71 HB THR 71 0.192 2.751 -6.009 486 HG1 THR 71 1HG THR 71 2.291 3.425 -5.690 487 HG21 THR 71 1HG2 THR 71 2.186 1.373 -7.793 488 HG22 THR 71 2HG2 THR 71 0.538 0.777 -7.592 489 HG23 THR 71 3HG2 THR 71 1.615 0.881 -6.199 490 H GLN 72 H GLN 72 -0.402 2.311 -10.351 491 HA GLN 72 HA GLN 72 2.115 1.978 -11.437 492 HB2 GLN 72 1HB GLN 72 -0.164 1.192 -12.324 493 HB3 GLN 72 2HB GLN 72 -0.261 2.762 -13.110 494 HG2 GLN 72 1HG GLN 72 1.923 2.240 -14.218 495 HG3 GLN 72 2HG GLN 72 1.781 0.606 -13.571 496 HE21 GLN 72 1HE2 GLN 72 1.427 -0.582 -15.334 497 HE22 GLN 72 2HE2 GLN 72 0.133 -0.340 -16.453 498 H GLY 73 H GLY 73 0.106 4.856 -11.332 499 HA2 GLY 73 1HA GLY 73 2.313 6.347 -12.616 500 HA3 GLY 73 2HA GLY 73 0.620 6.764 -12.836 501 H LEU 74 H LEU 74 1.829 5.755 -9.732 502 HA LEU 74 HA LEU 74 1.643 8.543 -8.795 503 HB2 LEU 74 1HB LEU 74 0.775 6.019 -7.398 504 HB3 LEU 74 2HB LEU 74 0.853 7.603 -6.630 505 HG LEU 74 HG LEU 74 -0.990 6.747 -8.857 506 HD11 LEU 74 1HD1 LEU 74 -2.011 7.916 -6.362 507 HD12 LEU 74 2HD1 LEU 74 -1.265 6.327 -6.203 508 HD13 LEU 74 3HD1 LEU 74 -2.613 6.560 -7.315 509 HD21 LEU 74 1HD2 LEU 74 -1.879 9.180 -8.107 510 HD22 LEU 74 2HD2 LEU 74 -0.817 8.902 -9.488 511 HD23 LEU 74 3HD2 LEU 74 -0.139 9.412 -7.941 512 H THR 75 H THR 75 3.378 9.315 -7.783 513 HA THR 75 HA THR 75 5.683 7.631 -7.411 514 HB THR 75 HB THR 75 6.668 9.820 -6.459 515 HG1 THR 75 1HG THR 75 4.844 11.011 -6.061 516 HG21 THR 75 1HG2 THR 75 7.047 8.906 -8.753 517 HG22 THR 75 2HG2 THR 75 7.107 10.667 -8.665 518 HG23 THR 75 3HG2 THR 75 5.675 9.864 -9.309 519 H HIS 76 H HIS 76 6.986 8.329 -5.255 520 HA HIS 76 HA HIS 76 5.803 6.935 -3.158 521 HB2 HIS 76 1HB HIS 76 8.192 7.210 -3.230 522 HB3 HIS 76 2HB HIS 76 8.045 8.962 -3.135 523 HD1 HIS 76 1HD HIS 76 8.643 9.791 -0.897 524 HD2 HIS 76 2HD HIS 76 6.851 6.047 -0.712 525 HE1 HIS 76 1HE HIS 76 8.580 9.196 1.545 526 HE2 HIS 76 2HE HIS 76 7.569 6.890 1.625 527 H ALA 77 H ALA 77 6.162 10.454 -3.565 528 HA ALA 77 HA ALA 77 4.820 11.179 -1.202 529 HB1 ALA 77 1HB ALA 77 4.489 13.110 -3.338 530 HB2 ALA 77 2HB ALA 77 5.378 13.245 -1.820 531 HB3 ALA 77 3HB ALA 77 6.146 12.516 -3.230 532 H GLN 78 H GLN 78 3.669 10.382 -4.411 533 HA GLN 78 HA GLN 78 1.020 11.366 -4.046 534 HB2 GLN 78 1HB GLN 78 2.240 9.428 -6.007 535 HB3 GLN 78 2HB GLN 78 0.532 9.849 -6.034 536 HG2 GLN 78 1HG GLN 78 2.705 11.914 -6.189 537 HG3 GLN 78 2HG GLN 78 2.048 11.111 -7.615 538 HE21 GLN 78 1HE2 GLN 78 1.835 13.743 -7.581 539 HE22 GLN 78 2HE2 GLN 78 0.218 14.250 -7.247 540 H ALA 79 H ALA 79 2.476 8.131 -3.845 541 HA ALA 79 HA ALA 79 0.089 6.778 -3.166 542 HB1 ALA 79 1HB ALA 79 2.749 5.785 -2.251 543 HB2 ALA 79 2HB ALA 79 1.383 4.892 -2.921 544 HB3 ALA 79 3HB ALA 79 2.400 5.871 -3.978 545 H VAL 80 H VAL 80 2.504 8.468 -1.273 546 HA VAL 80 HA VAL 80 1.610 7.489 1.263 547 HB VAL 80 HB VAL 80 3.286 9.916 0.605 548 HG11 VAL 80 1HG1 VAL 80 2.050 9.775 2.875 549 HG12 VAL 80 2HG1 VAL 80 3.239 8.528 3.256 550 HG13 VAL 80 3HG1 VAL 80 3.770 10.162 2.858 551 HG21 VAL 80 1HG2 VAL 80 3.895 7.209 0.352 552 HG22 VAL 80 2HG2 VAL 80 5.033 8.555 0.367 553 HG23 VAL 80 3HG2 VAL 80 4.652 7.707 1.865 554 H GLU 81 H GLU 81 1.400 10.716 -0.254 555 HA GLU 81 HA GLU 81 -0.157 12.030 1.539 556 HB2 GLU 81 1HB GLU 81 -0.605 13.561 -0.110 557 HB3 GLU 81 2HB GLU 81 0.738 12.703 -0.851 558 HG2 GLU 81 1HG GLU 81 -0.716 12.742 -2.596 559 HG3 GLU 81 2HG GLU 81 -1.187 11.218 -1.847 560 H ARG 82 H ARG 82 -1.177 9.528 -0.683 561 HA ARG 82 HA ARG 82 -3.964 9.897 -0.443 562 HB2 ARG 82 1HB ARG 82 -2.368 7.410 -1.080 563 HB3 ARG 82 2HB ARG 82 -4.112 7.547 -1.255 564 HG2 ARG 82 1HG ARG 82 -2.393 9.540 -2.635 565 HG3 ARG 82 2HG ARG 82 -2.494 7.905 -3.293 566 HD2 ARG 82 1HD ARG 82 -5.042 8.213 -3.089 567 HD3 ARG 82 2HD ARG 82 -4.676 9.930 -2.930 568 HE ARG 82 HE ARG 82 -3.414 8.753 -5.207 569 HH11 ARG 82 2HH1 ARG 82 -6.404 10.077 -4.011 570 HH12 ARG 82 1HH1 ARG 82 -6.981 10.534 -5.579 571 HH21 ARG 82 2HH2 ARG 82 -4.163 9.351 -7.278 572 HH22 ARG 82 1HH2 ARG 82 -5.705 10.120 -7.437 573 H ILE 83 H ILE 83 -1.681 7.836 1.324 574 HA ILE 83 HA ILE 83 -3.457 6.432 2.915 575 HB ILE 83 HB ILE 83 -0.864 7.450 4.031 576 HG12 ILE 83 1HG1 ILE 83 -0.173 6.819 1.864 577 HG13 ILE 83 2HG1 ILE 83 0.153 5.407 2.864 578 HG21 ILE 83 1HG2 ILE 83 -1.689 4.626 4.231 579 HG22 ILE 83 2HG2 ILE 83 -0.972 5.690 5.440 580 HG23 ILE 83 3HG2 ILE 83 -2.697 5.793 5.086 581 HD11 ILE 83 1HD1 ILE 83 -1.703 4.247 1.997 582 HD12 ILE 83 2HD1 ILE 83 -2.359 5.704 1.249 583 HD13 ILE 83 3HD1 ILE 83 -0.885 4.973 0.613 584 H ARG 84 H ARG 84 -2.125 9.671 3.381 585 HA ARG 84 HA ARG 84 -3.283 10.054 5.959 586 HB2 ARG 84 1HB ARG 84 -2.367 12.161 3.995 587 HB3 ARG 84 2HB ARG 84 -2.592 12.363 5.728 588 HG2 ARG 84 1HG ARG 84 -0.649 10.352 4.666 589 HG3 ARG 84 2HG ARG 84 -0.211 12.056 4.803 590 HD2 ARG 84 1HD ARG 84 -1.236 10.336 7.058 591 HD3 ARG 84 2HD ARG 84 0.458 10.731 6.775 592 HE ARG 84 HE ARG 84 -1.056 13.102 6.948 593 HH11 ARG 84 2HH1 ARG 84 0.149 10.505 8.928 594 HH12 ARG 84 1HH1 ARG 84 0.227 11.465 10.368 595 HH21 ARG 84 2HH2 ARG 84 -0.957 14.376 8.837 596 HH22 ARG 84 1HH2 ARG 84 -0.402 13.667 10.315 597 H ALA 85 H ALA 85 -4.158 11.135 2.688 598 HA ALA 85 HA ALA 85 -6.531 12.476 3.527 599 HB1 ALA 85 1HB ALA 85 -6.167 13.365 1.521 600 HB2 ALA 85 2HB ALA 85 -5.103 12.039 1.051 601 HB3 ALA 85 3HB ALA 85 -6.846 11.889 0.834 602 H GLY 86 H GLY 86 -5.744 9.204 3.003 603 HA2 GLY 86 1HA GLY 86 -8.026 8.056 1.980 604 HA3 GLY 86 2HA GLY 86 -7.015 7.298 3.202 605 H GLY 87 H GLY 87 -7.579 9.491 5.130 606 HA2 GLY 87 1HA GLY 87 -9.528 10.312 6.301 607 HA3 GLY 87 2HA GLY 87 -10.415 8.920 5.698 608 HA PRO 88 HA PRO 88 -9.267 7.965 10.052 609 HB2 PRO 88 1HB PRO 88 -11.624 6.749 10.633 610 HB3 PRO 88 2HB PRO 88 -11.390 8.497 10.750 611 HG2 PRO 88 1HG PRO 88 -12.654 6.898 8.558 612 HG3 PRO 88 2HG PRO 88 -13.190 8.427 9.279 613 HD2 PRO 88 1HD PRO 88 -11.879 8.313 6.912 614 HD3 PRO 88 2HD PRO 88 -11.709 9.679 8.034 615 H GLN 89 H GLN 89 -10.497 6.077 7.389 616 HA GLN 89 HA GLN 89 -9.428 3.628 8.619 617 HB2 GLN 89 1HB GLN 89 -11.611 4.126 6.633 618 HB3 GLN 89 2HB GLN 89 -10.776 2.578 6.629 619 HG2 GLN 89 1HG GLN 89 -11.415 2.186 8.925 620 HG3 GLN 89 2HG GLN 89 -12.168 3.778 9.012 621 HE21 GLN 89 1HE2 GLN 89 -14.047 2.518 9.675 622 HE22 GLN 89 2HE2 GLN 89 -15.074 1.849 8.459 623 H LEU 90 H LEU 90 -7.590 2.834 7.851 624 HA LEU 90 HA LEU 90 -6.476 3.943 5.399 625 HB2 LEU 90 1HB LEU 90 -4.844 3.961 7.009 626 HB3 LEU 90 2HB LEU 90 -5.404 2.461 7.745 627 HG LEU 90 HG LEU 90 -4.138 2.386 5.040 628 HD11 LEU 90 1HD1 LEU 90 -2.846 3.546 7.218 629 HD12 LEU 90 2HD1 LEU 90 -2.105 2.939 5.737 630 HD13 LEU 90 3HD1 LEU 90 -2.238 1.892 7.149 631 HD21 LEU 90 1HD2 LEU 90 -3.256 0.266 6.507 632 HD22 LEU 90 2HD2 LEU 90 -4.670 0.248 5.453 633 HD23 LEU 90 3HD2 LEU 90 -4.863 0.528 7.184 634 H HIS 91 H HIS 91 -6.117 2.820 3.556 635 HA HIS 91 HA HIS 91 -6.746 -0.053 3.545 636 HB2 HIS 91 1HB HIS 91 -8.608 1.527 2.657 637 HB3 HIS 91 2HB HIS 91 -7.555 1.721 1.258 638 HD1 HIS 91 1HD HIS 91 -7.499 -0.160 -0.430 639 HD2 HIS 91 2HD HIS 91 -9.633 -1.122 3.002 640 HE1 HIS 91 1HE HIS 91 -8.658 -2.331 -0.946 641 HE2 HIS 91 2HE HIS 91 -10.011 -2.850 1.114 642 H LEU 92 H LEU 92 -4.963 -1.087 2.958 643 HA LEU 92 HA LEU 92 -3.377 0.002 0.732 644 HB2 LEU 92 1HB LEU 92 -2.129 -1.486 3.016 645 HB3 LEU 92 2HB LEU 92 -1.346 -0.491 1.790 646 HG LEU 92 HG LEU 92 -3.214 0.748 3.775 647 HD11 LEU 92 1HD1 LEU 92 -1.682 -0.499 5.147 648 HD12 LEU 92 2HD1 LEU 92 -1.248 1.209 5.204 649 HD13 LEU 92 3HD1 LEU 92 -0.306 0.092 4.216 650 HD21 LEU 92 1HD2 LEU 92 -2.135 2.735 3.232 651 HD22 LEU 92 2HD2 LEU 92 -2.232 1.892 1.686 652 HD23 LEU 92 3HD2 LEU 92 -0.717 1.905 2.590 653 H VAL 93 H VAL 93 -2.827 -1.420 -0.823 654 HA VAL 93 HA VAL 93 -3.787 -4.169 -0.517 655 HB VAL 93 HB VAL 93 -2.808 -2.913 -3.072 656 HG11 VAL 93 1HG1 VAL 93 -4.703 -5.191 -2.508 657 HG12 VAL 93 2HG1 VAL 93 -4.252 -4.598 -4.107 658 HG13 VAL 93 3HG1 VAL 93 -3.037 -5.340 -3.065 659 HG21 VAL 93 1HG2 VAL 93 -5.331 -2.593 -3.487 660 HG22 VAL 93 2HG2 VAL 93 -5.478 -2.666 -1.731 661 HG23 VAL 93 3HG2 VAL 93 -4.490 -1.413 -2.482 662 H ILE 94 H ILE 94 -2.357 -5.647 0.086 663 HA ILE 94 HA ILE 94 0.399 -5.435 -0.937 664 HB ILE 94 HB ILE 94 -0.350 -6.622 1.733 665 HG12 ILE 94 1HG1 ILE 94 -0.760 -4.120 1.526 666 HG13 ILE 94 2HG1 ILE 94 0.349 -4.618 2.799 667 HG21 ILE 94 1HG2 ILE 94 2.004 -6.648 2.166 668 HG22 ILE 94 2HG2 ILE 94 1.723 -7.432 0.612 669 HG23 ILE 94 3HG2 ILE 94 2.339 -5.781 0.668 670 HD11 ILE 94 1HD1 ILE 94 2.172 -3.729 1.743 671 HD12 ILE 94 2HD1 ILE 94 1.450 -3.869 0.140 672 HD13 ILE 94 3HD1 ILE 94 0.911 -2.602 1.242 673 H ARG 95 H ARG 95 1.443 -7.357 -1.492 674 HA ARG 95 HA ARG 95 -0.215 -9.785 -1.501 675 HB2 ARG 95 1HB ARG 95 -0.436 -8.977 -3.719 676 HB3 ARG 95 2HB ARG 95 1.267 -8.552 -3.815 677 HG2 ARG 95 1HG ARG 95 1.826 -10.963 -3.713 678 HG3 ARG 95 2HG ARG 95 0.099 -11.325 -3.760 679 HD2 ARG 95 1HD ARG 95 -0.123 -10.401 -5.934 680 HD3 ARG 95 2HD ARG 95 1.485 -9.681 -5.864 681 HE ARG 95 HE ARG 95 0.831 -12.361 -6.612 682 HH11 ARG 95 2HH1 ARG 95 3.287 -10.349 -5.183 683 HH12 ARG 95 1HH1 ARG 95 4.590 -11.404 -5.620 684 HH21 ARG 95 2HH2 ARG 95 2.538 -13.758 -7.193 685 HH22 ARG 95 1HH2 ARG 95 4.163 -13.343 -6.764 686 H ARG 96 H ARG 96 0.903 -10.878 0.045 687 HA ARG 96 HA ARG 96 3.617 -10.866 0.538 688 HB2 ARG 96 1HB ARG 96 1.589 -12.051 1.751 689 HB3 ARG 96 2HB ARG 96 2.128 -13.439 0.816 690 HG2 ARG 96 1HG ARG 96 3.326 -13.763 2.720 691 HG3 ARG 96 2HG ARG 96 4.472 -12.772 1.815 692 HD2 ARG 96 1HD ARG 96 4.455 -11.743 3.887 693 HD3 ARG 96 2HD ARG 96 3.287 -10.784 2.979 694 HE ARG 96 HE ARG 96 2.002 -12.907 4.347 695 HH11 ARG 96 2HH1 ARG 96 3.462 -9.787 4.850 696 HH12 ARG 96 1HH1 ARG 96 2.508 -9.421 6.249 697 HH21 ARG 96 2HH2 ARG 96 0.739 -12.437 6.188 698 HH22 ARG 96 1HH2 ARG 96 0.960 -10.929 7.010 699 HA PRO 97 HA PRO 97 5.098 -12.734 -3.247 700 HB2 PRO 97 1HB PRO 97 7.731 -12.473 -2.639 701 HB3 PRO 97 2HB PRO 97 6.743 -11.130 -3.226 702 HG2 PRO 97 1HG PRO 97 7.549 -11.807 -0.423 703 HG3 PRO 97 2HG PRO 97 7.511 -10.226 -1.226 704 HD2 PRO 97 1HD PRO 97 5.560 -11.051 0.461 705 HD3 PRO 97 2HD PRO 97 5.238 -9.986 -0.923 706 H LEU 98 H LEU 98 7.188 -14.306 -3.500 707 HA LEU 98 HA LEU 98 6.461 -16.665 -1.989 708 HB2 LEU 98 1HB LEU 98 8.334 -16.164 -4.284 709 HB3 LEU 98 2HB LEU 98 8.225 -17.729 -3.480 710 HG LEU 98 HG LEU 98 5.857 -17.879 -4.131 711 HD11 LEU 98 1HD1 LEU 98 5.193 -16.219 -5.994 712 HD12 LEU 98 2HD1 LEU 98 6.434 -15.182 -5.292 713 HD13 LEU 98 3HD1 LEU 98 5.067 -15.708 -4.311 714 HD21 LEU 98 1HD2 LEU 98 6.573 -17.608 -6.769 715 HD22 LEU 98 2HD2 LEU 98 6.852 -19.031 -5.765 716 HD23 LEU 98 3HD2 LEU 98 8.125 -17.825 -5.961 717 H SER 99 H SER 99 8.550 -18.139 -1.545 718 HA SER 99 HA SER 99 10.538 -16.517 -0.112 719 HB2 SER 99 1HB SER 99 8.669 -17.454 1.390 720 HB3 SER 99 2HB SER 99 9.393 -19.033 1.091 721 HG SER 99 HG SER 99 10.099 -17.508 2.968 722 H GLY 100 H GLY 100 12.517 -17.701 0.419 723 HA2 GLY 100 1HA GLY 100 13.226 -20.237 -0.327 724 HA3 GLY 100 2HA GLY 100 13.364 -19.301 -1.808 725 HA PRO 101 HA PRO 101 17.470 -18.296 -0.608 726 HB2 PRO 101 1HB PRO 101 17.841 -16.093 -2.151 727 HB3 PRO 101 2HB PRO 101 17.815 -17.733 -2.809 728 HG2 PRO 101 1HG PRO 101 15.640 -15.676 -2.761 729 HG3 PRO 101 2HG PRO 101 16.127 -16.760 -4.078 730 HD2 PRO 101 1HD PRO 101 13.984 -17.257 -2.498 731 HD3 PRO 101 2HD PRO 101 14.978 -18.553 -3.196 732 H SER 102 H SER 102 14.792 -16.228 -0.065 733 HA SER 102 HA SER 102 16.235 -14.094 1.197 734 HB2 SER 102 1HB SER 102 13.923 -13.939 0.110 735 HB3 SER 102 2HB SER 102 13.304 -14.707 1.572 736 HG SER 102 HG SER 102 13.493 -12.876 2.577 737 H SER 103 H SER 103 16.418 -13.645 3.388 738 HA SER 103 HA SER 103 15.521 -15.673 5.293 739 HB2 SER 103 1HB SER 103 18.377 -14.953 4.720 740 HB3 SER 103 2HB SER 103 17.906 -15.433 6.350 741 HG SER 103 HG SER 103 18.566 -17.232 5.130 742 H GLY 104 H GLY 104 15.052 -14.884 7.301 743 HA2 GLY 104 1HA GLY 104 15.935 -12.843 8.760 744 HA3 GLY 104 2HA GLY 104 15.009 -11.980 7.541 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -24.145 8.314 -3.814 2 HA2 GLY 1 1HA GLY 1 -25.336 6.881 -6.044 3 HA3 GLY 1 2HA GLY 1 -23.579 6.931 -6.037 4 H SER 2 H SER 2 -23.475 4.668 -5.811 5 HA SER 2 HA SER 2 -23.518 3.784 -3.076 6 HB2 SER 2 1HB SER 2 -25.357 2.444 -5.075 7 HB3 SER 2 2HB SER 2 -25.024 1.868 -3.442 8 HG SER 2 HG SER 2 -26.611 3.973 -4.299 9 H SER 3 H SER 3 -21.571 2.893 -2.956 10 HA SER 3 HA SER 3 -20.870 0.745 -4.785 11 HB2 SER 3 1HB SER 3 -18.685 1.675 -5.345 12 HB3 SER 3 2HB SER 3 -19.956 2.787 -5.855 13 HG SER 3 HG SER 3 -18.409 2.985 -3.481 14 H GLY 4 H GLY 4 -19.606 -0.805 -3.859 15 HA2 GLY 4 1HA GLY 4 -18.701 -0.267 -1.096 16 HA3 GLY 4 2HA GLY 4 -19.408 -1.798 -1.592 17 H SER 5 H SER 5 -18.214 -3.054 -3.224 18 HA SER 5 HA SER 5 -15.477 -2.447 -3.766 19 HB2 SER 5 1HB SER 5 -16.164 -4.208 -1.460 20 HB3 SER 5 2HB SER 5 -14.808 -4.685 -2.482 21 HG SER 5 HG SER 5 -14.001 -2.501 -2.132 22 H SER 6 H SER 6 -14.979 -3.398 -5.625 23 HA SER 6 HA SER 6 -16.286 -5.942 -6.313 24 HB2 SER 6 1HB SER 6 -16.423 -5.093 -8.688 25 HB3 SER 6 2HB SER 6 -17.502 -4.286 -7.550 26 HG SER 6 HG SER 6 -16.453 -2.749 -8.815 27 H GLY 7 H GLY 7 -15.172 -7.081 -8.130 28 HA2 GLY 7 1HA GLY 7 -13.156 -7.334 -9.454 29 HA3 GLY 7 2HA GLY 7 -12.289 -6.460 -8.200 30 H GLN 8 H GLN 8 -13.615 -9.521 -9.177 31 HA GLN 8 HA GLN 8 -12.790 -10.843 -6.729 32 HB2 GLN 8 1HB GLN 8 -14.866 -11.522 -7.885 33 HB3 GLN 8 2HB GLN 8 -13.915 -12.008 -9.282 34 HG2 GLN 8 1HG GLN 8 -14.363 -13.990 -8.135 35 HG3 GLN 8 2HG GLN 8 -12.698 -13.590 -7.716 36 HE21 GLN 8 1HE2 GLN 8 -14.595 -15.258 -6.291 37 HE22 GLN 8 2HE2 GLN 8 -14.770 -14.564 -4.719 38 H ALA 9 H ALA 9 -10.547 -10.551 -6.741 39 HA ALA 9 HA ALA 9 -9.131 -12.212 -8.717 40 HB1 ALA 9 1HB ALA 9 -7.197 -10.511 -8.260 41 HB2 ALA 9 2HB ALA 9 -8.456 -10.137 -9.438 42 HB3 ALA 9 3HB ALA 9 -8.523 -9.434 -7.822 43 H SER 10 H SER 10 -7.038 -13.030 -7.955 44 HA SER 10 HA SER 10 -6.986 -13.362 -5.026 45 HB2 SER 10 1HB SER 10 -6.754 -15.370 -7.223 46 HB3 SER 10 2HB SER 10 -5.798 -15.624 -5.762 47 HG SER 10 HG SER 10 -8.597 -15.154 -5.779 48 H GLY 11 H GLY 11 -4.878 -13.771 -4.090 49 HA2 GLY 11 1HA GLY 11 -2.451 -13.901 -4.475 50 HA3 GLY 11 2HA GLY 11 -2.674 -12.712 -5.751 51 H HIS 12 H HIS 12 -3.614 -10.584 -5.011 52 HA HIS 12 HA HIS 12 -2.093 -9.698 -2.702 53 HB2 HIS 12 1HB HIS 12 -3.141 -7.423 -3.504 54 HB3 HIS 12 2HB HIS 12 -1.822 -8.162 -4.406 55 HD1 HIS 12 1HD HIS 12 -5.326 -7.088 -4.708 56 HD2 HIS 12 2HD HIS 12 -2.654 -9.448 -6.843 57 HE1 HIS 12 1HE HIS 12 -6.355 -7.379 -6.984 58 HE2 HIS 12 2HE HIS 12 -4.762 -8.880 -8.230 59 H PHE 13 H PHE 13 -2.992 -8.500 -0.964 60 HA PHE 13 HA PHE 13 -5.890 -8.831 -0.587 61 HB2 PHE 13 1HB PHE 13 -5.388 -9.313 1.843 62 HB3 PHE 13 2HB PHE 13 -4.932 -10.585 0.715 63 HD1 PHE 13 2HD PHE 13 -3.575 -7.709 2.625 64 HD2 PHE 13 1HD PHE 13 -2.751 -11.394 0.660 65 HE1 PHE 13 2HE PHE 13 -1.281 -7.667 3.515 66 HE2 PHE 13 1HE PHE 13 -0.456 -11.358 1.548 67 HZ PHE 13 HZ PHE 13 0.282 -9.493 2.976 68 H SER 14 H SER 14 -6.865 -7.333 0.885 69 HA SER 14 HA SER 14 -5.569 -4.737 0.804 70 HB2 SER 14 1HB SER 14 -7.749 -3.873 1.565 71 HB3 SER 14 2HB SER 14 -7.927 -4.909 0.149 72 HG SER 14 HG SER 14 -8.204 -6.583 2.013 73 H VAL 15 H VAL 15 -5.754 -3.305 2.755 74 HA VAL 15 HA VAL 15 -5.368 -4.815 5.253 75 HB VAL 15 HB VAL 15 -3.668 -2.503 4.304 76 HG11 VAL 15 1HG1 VAL 15 -3.623 -2.136 6.548 77 HG12 VAL 15 2HG1 VAL 15 -4.014 -3.810 6.943 78 HG13 VAL 15 3HG1 VAL 15 -2.375 -3.378 6.456 79 HG21 VAL 15 1HG2 VAL 15 -3.450 -5.287 3.851 80 HG22 VAL 15 2HG2 VAL 15 -2.298 -4.019 3.433 81 HG23 VAL 15 3HG2 VAL 15 -2.183 -4.835 4.992 82 H GLU 16 H GLU 16 -6.819 -4.193 6.700 83 HA GLU 16 HA GLU 16 -7.884 -1.457 6.558 84 HB2 GLU 16 1HB GLU 16 -9.042 -3.902 7.909 85 HB3 GLU 16 2HB GLU 16 -9.796 -2.315 7.842 86 HG2 GLU 16 1HG GLU 16 -9.796 -2.520 5.347 87 HG3 GLU 16 2HG GLU 16 -9.272 -4.190 5.553 88 H LEU 17 H LEU 17 -7.284 -0.047 8.055 89 HA LEU 17 HA LEU 17 -6.586 -1.006 10.736 90 HB2 LEU 17 1HB LEU 17 -4.934 0.924 9.113 91 HB3 LEU 17 2HB LEU 17 -4.652 0.503 10.801 92 HG LEU 17 HG LEU 17 -4.423 -1.374 8.449 93 HD11 LEU 17 1HD1 LEU 17 -2.459 0.244 9.999 94 HD12 LEU 17 2HD1 LEU 17 -2.532 -0.089 8.269 95 HD13 LEU 17 3HD1 LEU 17 -1.980 -1.338 9.384 96 HD21 LEU 17 1HD2 LEU 17 -4.540 -3.035 9.912 97 HD22 LEU 17 2HD2 LEU 17 -4.811 -1.885 11.222 98 HD23 LEU 17 3HD2 LEU 17 -3.167 -2.355 10.787 99 H VAL 18 H VAL 18 -6.844 0.535 12.403 100 HA VAL 18 HA VAL 18 -8.669 2.720 11.681 101 HB VAL 18 HB VAL 18 -8.186 1.393 14.352 102 HG11 VAL 18 1HG1 VAL 18 -9.702 3.819 13.559 103 HG12 VAL 18 2HG1 VAL 18 -10.419 2.757 14.772 104 HG13 VAL 18 3HG1 VAL 18 -8.828 3.466 15.049 105 HG21 VAL 18 1HG2 VAL 18 -10.149 0.221 14.054 106 HG22 VAL 18 2HG2 VAL 18 -10.774 1.358 12.860 107 HG23 VAL 18 3HG2 VAL 18 -9.494 0.228 12.416 108 H ARG 19 H ARG 19 -7.797 4.672 11.543 109 HA ARG 19 HA ARG 19 -5.311 5.530 12.054 110 HB2 ARG 19 1HB ARG 19 -7.206 6.884 11.094 111 HB3 ARG 19 2HB ARG 19 -7.720 7.214 12.743 112 HG2 ARG 19 1HG ARG 19 -5.741 8.433 13.209 113 HG3 ARG 19 2HG ARG 19 -4.981 7.894 11.710 114 HD2 ARG 19 1HD ARG 19 -6.262 9.298 10.400 115 HD3 ARG 19 2HD ARG 19 -7.551 9.408 11.599 116 HE ARG 19 HE ARG 19 -6.455 11.171 12.566 117 HH11 ARG 19 2HH1 ARG 19 -4.279 9.511 10.413 118 HH12 ARG 19 1HH1 ARG 19 -3.034 10.710 10.537 119 HH21 ARG 19 2HH2 ARG 19 -4.823 12.756 12.737 120 HH22 ARG 19 1HH2 ARG 19 -3.344 12.554 11.860 121 H GLY 20 H GLY 20 -4.015 5.440 13.759 122 HA2 GLY 20 1HA GLY 20 -5.024 4.994 16.405 123 HA3 GLY 20 2HA GLY 20 -3.338 5.192 15.952 124 H TYR 21 H TYR 21 -2.540 6.725 17.240 125 HA TYR 21 HA TYR 21 -4.153 8.996 18.032 126 HB2 TYR 21 1HB TYR 21 -2.754 8.069 19.737 127 HB3 TYR 21 2HB TYR 21 -1.334 8.144 18.700 128 HD1 TYR 21 1HD TYR 21 -3.944 10.500 19.987 129 HD2 TYR 21 2HD TYR 21 0.177 9.806 19.189 130 HE1 TYR 21 1HE TYR 21 -3.400 12.717 20.903 131 HE2 TYR 21 2HE TYR 21 0.733 12.021 20.104 132 HH TYR 21 HH TYR 21 -0.662 13.646 21.966 133 H ALA 22 H ALA 22 -4.398 9.810 15.824 134 HA ALA 22 HA ALA 22 -3.964 11.387 14.239 135 HB1 ALA 22 1HB ALA 22 -2.372 13.133 14.712 136 HB2 ALA 22 2HB ALA 22 -3.261 12.741 16.185 137 HB3 ALA 22 3HB ALA 22 -1.613 12.150 15.965 138 H GLY 23 H GLY 23 -3.227 8.957 13.482 139 HA2 GLY 23 1HA GLY 23 -1.760 8.944 11.345 140 HA3 GLY 23 2HA GLY 23 -0.457 9.131 12.509 141 H PHE 24 H PHE 24 -0.805 6.971 10.652 142 HA PHE 24 HA PHE 24 -1.626 4.713 12.306 143 HB2 PHE 24 1HB PHE 24 -0.801 4.927 9.408 144 HB3 PHE 24 2HB PHE 24 -1.138 3.393 10.204 145 HD1 PHE 24 2HD PHE 24 -2.608 6.591 9.117 146 HD2 PHE 24 1HD PHE 24 -3.359 2.673 10.602 147 HE1 PHE 24 2HE PHE 24 -5.001 6.863 8.616 148 HE2 PHE 24 1HE PHE 24 -5.753 2.938 10.102 149 HZ PHE 24 HZ PHE 24 -6.578 5.036 9.109 150 H GLY 25 H GLY 25 1.203 6.394 11.390 151 HA2 GLY 25 1HA GLY 25 3.385 6.093 12.074 152 HA3 GLY 25 2HA GLY 25 2.849 4.705 13.009 153 H LEU 26 H LEU 26 2.056 4.762 9.660 154 HA LEU 26 HA LEU 26 3.967 2.587 9.205 155 HB2 LEU 26 1HB LEU 26 1.511 2.275 8.775 156 HB3 LEU 26 2HB LEU 26 1.668 3.432 7.455 157 HG LEU 26 HG LEU 26 3.250 1.906 6.338 158 HD11 LEU 26 1HD1 LEU 26 4.183 0.185 7.378 159 HD12 LEU 26 2HD1 LEU 26 2.604 -0.474 7.806 160 HD13 LEU 26 3HD1 LEU 26 3.383 0.702 8.863 161 HD21 LEU 26 1HD2 LEU 26 1.231 1.529 5.395 162 HD22 LEU 26 2HD2 LEU 26 0.440 1.228 6.943 163 HD23 LEU 26 3HD2 LEU 26 1.409 -0.037 6.186 164 H THR 27 H THR 27 5.724 2.896 8.014 165 HA THR 27 HA THR 27 5.807 5.233 6.218 166 HB THR 27 HB THR 27 8.210 3.996 7.562 167 HG1 THR 27 1HG THR 27 6.509 5.076 8.962 168 HG21 THR 27 1HG2 THR 27 8.901 5.224 5.677 169 HG22 THR 27 2HG2 THR 27 9.117 6.330 7.034 170 HG23 THR 27 3HG2 THR 27 7.721 6.501 5.971 171 H LEU 28 H LEU 28 6.778 5.002 4.209 172 HA LEU 28 HA LEU 28 7.358 2.229 3.397 173 HB2 LEU 28 1HB LEU 28 5.783 4.389 2.097 174 HB3 LEU 28 2HB LEU 28 6.694 3.289 1.064 175 HG LEU 28 HG LEU 28 4.775 2.243 3.118 176 HD11 LEU 28 1HD1 LEU 28 3.070 2.166 1.332 177 HD12 LEU 28 2HD1 LEU 28 4.124 3.153 0.319 178 HD13 LEU 28 3HD1 LEU 28 3.480 3.810 1.824 179 HD21 LEU 28 1HD2 LEU 28 6.518 0.851 1.810 180 HD22 LEU 28 2HD2 LEU 28 5.428 1.072 0.441 181 HD23 LEU 28 3HD2 LEU 28 4.856 0.269 1.905 182 H GLY 29 H GLY 29 9.314 1.850 2.575 183 HA2 GLY 29 1HA GLY 29 10.963 4.186 1.842 184 HA3 GLY 29 2HA GLY 29 11.600 2.692 2.513 185 H GLY 30 H GLY 30 10.552 4.337 -0.343 186 HA2 GLY 30 1HA GLY 30 12.060 3.198 -2.209 187 HA3 GLY 30 2HA GLY 30 10.835 1.955 -2.001 188 H GLY 31 H GLY 31 9.919 2.120 -4.017 189 HA2 GLY 31 1HA GLY 31 8.150 2.912 -5.324 190 HA3 GLY 31 2HA GLY 31 8.148 4.395 -4.382 191 H ARG 32 H ARG 32 7.850 5.224 -6.662 192 HA ARG 32 HA ARG 32 10.018 5.174 -8.485 193 HB2 ARG 32 1HB ARG 32 8.050 5.736 -9.539 194 HB3 ARG 32 2HB ARG 32 7.500 6.744 -8.208 195 HG2 ARG 32 1HG ARG 32 9.162 8.449 -8.852 196 HG3 ARG 32 2HG ARG 32 9.614 7.446 -10.232 197 HD2 ARG 32 1HD ARG 32 6.858 8.556 -9.711 198 HD3 ARG 32 2HD ARG 32 8.032 9.238 -10.836 199 HE ARG 32 HE ARG 32 7.630 6.544 -11.487 200 HH11 ARG 32 2HH1 ARG 32 5.914 9.573 -11.509 201 HH12 ARG 32 1HH1 ARG 32 4.900 9.138 -12.845 202 HH21 ARG 32 2HH2 ARG 32 6.301 5.960 -13.247 203 HH22 ARG 32 1HH2 ARG 32 5.120 7.082 -13.832 204 H ASP 33 H ASP 33 11.954 6.004 -8.078 205 HA ASP 33 HA ASP 33 12.166 8.406 -6.409 206 HB2 ASP 33 1HB ASP 33 13.979 6.128 -7.033 207 HB3 ASP 33 2HB ASP 33 14.722 7.692 -6.706 208 H VAL 34 H VAL 34 13.666 10.098 -7.042 209 HA VAL 34 HA VAL 34 13.253 10.951 -9.707 210 HB VAL 34 HB VAL 34 15.345 12.049 -7.834 211 HG11 VAL 34 1HG1 VAL 34 13.762 13.858 -9.498 212 HG12 VAL 34 2HG1 VAL 34 15.506 13.786 -9.239 213 HG13 VAL 34 3HG1 VAL 34 14.743 12.716 -10.416 214 HG21 VAL 34 1HG2 VAL 34 12.750 13.386 -7.840 215 HG22 VAL 34 2HG2 VAL 34 12.702 11.758 -7.162 216 HG23 VAL 34 3HG2 VAL 34 13.804 12.961 -6.491 217 H ALA 35 H ALA 35 15.808 9.184 -8.143 218 HA ALA 35 HA ALA 35 17.589 9.486 -10.435 219 HB1 ALA 35 1HB ALA 35 19.191 9.260 -8.921 220 HB2 ALA 35 2HB ALA 35 17.972 9.033 -7.667 221 HB3 ALA 35 3HB ALA 35 18.616 7.639 -8.534 222 H GLY 36 H GLY 36 15.376 7.209 -9.036 223 HA2 GLY 36 1HA GLY 36 15.485 5.554 -11.372 224 HA3 GLY 36 2HA GLY 36 16.223 4.777 -9.979 225 H ASP 37 H ASP 37 14.438 3.217 -10.475 226 HA ASP 37 HA ASP 37 11.990 4.038 -9.055 227 HB2 ASP 37 1HB ASP 37 10.733 2.465 -10.493 228 HB3 ASP 37 2HB ASP 37 11.481 3.764 -11.417 229 H THR 38 H THR 38 11.643 2.944 -7.247 230 HA THR 38 HA THR 38 12.763 0.228 -7.006 231 HB THR 38 HB THR 38 12.898 0.739 -4.508 232 HG1 THR 38 1HG THR 38 11.701 2.669 -4.489 233 HG21 THR 38 1HG2 THR 38 14.683 2.080 -6.529 234 HG22 THR 38 2HG2 THR 38 14.930 0.540 -5.707 235 HG23 THR 38 3HG2 THR 38 15.053 2.050 -4.805 236 HA PRO 39 HA PRO 39 8.690 -1.132 -6.049 237 HB2 PRO 39 1HB PRO 39 9.279 -3.343 -4.588 238 HB3 PRO 39 2HB PRO 39 9.489 -3.266 -6.342 239 HG2 PRO 39 1HG PRO 39 11.528 -2.941 -4.174 240 HG3 PRO 39 2HG PRO 39 11.650 -3.837 -5.700 241 HD2 PRO 39 1HD PRO 39 12.724 -1.374 -5.367 242 HD3 PRO 39 2HD PRO 39 12.089 -1.936 -6.927 243 H LEU 40 H LEU 40 7.449 -0.038 -4.661 244 HA LEU 40 HA LEU 40 8.167 0.993 -2.203 245 HB2 LEU 40 1HB LEU 40 5.580 0.348 -3.513 246 HB3 LEU 40 2HB LEU 40 5.559 0.733 -1.793 247 HG LEU 40 HG LEU 40 6.745 2.553 -3.881 248 HD11 LEU 40 1HD1 LEU 40 3.990 2.672 -2.665 249 HD12 LEU 40 2HD1 LEU 40 4.351 2.179 -4.319 250 HD13 LEU 40 3HD1 LEU 40 4.695 3.828 -3.796 251 HD21 LEU 40 1HD2 LEU 40 6.261 4.222 -2.014 252 HD22 LEU 40 2HD2 LEU 40 7.609 3.110 -1.773 253 HD23 LEU 40 3HD2 LEU 40 6.068 2.815 -0.967 254 H ALA 41 H ALA 41 8.340 0.230 -0.182 255 HA ALA 41 HA ALA 41 7.028 -2.216 0.627 256 HB1 ALA 41 1HB ALA 41 10.041 -2.081 0.611 257 HB2 ALA 41 2HB ALA 41 9.057 -3.395 1.256 258 HB3 ALA 41 3HB ALA 41 9.052 -3.058 -0.475 259 H VAL 42 H VAL 42 6.682 -2.300 2.796 260 HA VAL 42 HA VAL 42 6.769 -0.023 4.346 261 HB VAL 42 HB VAL 42 6.761 -2.907 5.238 262 HG11 VAL 42 1HG1 VAL 42 7.345 -1.992 7.226 263 HG12 VAL 42 2HG1 VAL 42 6.765 -0.385 6.783 264 HG13 VAL 42 3HG1 VAL 42 5.621 -1.628 7.292 265 HG21 VAL 42 1HG2 VAL 42 4.309 -1.691 5.756 266 HG22 VAL 42 2HG2 VAL 42 4.770 -1.119 4.153 267 HG23 VAL 42 3HG2 VAL 42 4.670 -2.849 4.476 268 H ARG 43 H ARG 43 8.376 1.092 5.217 269 HA ARG 43 HA ARG 43 11.019 -0.096 5.428 270 HB2 ARG 43 1HB ARG 43 10.460 2.261 4.519 271 HB3 ARG 43 2HB ARG 43 10.315 2.718 6.211 272 HG2 ARG 43 1HG ARG 43 12.775 1.320 5.272 273 HG3 ARG 43 2HG ARG 43 12.566 3.043 4.953 274 HD2 ARG 43 1HD ARG 43 12.575 3.589 7.209 275 HD3 ARG 43 2HD ARG 43 12.145 1.953 7.707 276 HE ARG 43 HE ARG 43 14.628 1.788 6.496 277 HH11 ARG 43 2HH1 ARG 43 13.217 3.357 9.264 278 HH12 ARG 43 1HH1 ARG 43 14.684 3.338 10.186 279 HH21 ARG 43 2HH2 ARG 43 16.566 1.757 7.699 280 HH22 ARG 43 1HH2 ARG 43 16.588 2.429 9.295 281 H GLY 44 H GLY 44 9.226 2.065 7.628 282 HA2 GLY 44 1HA GLY 44 10.176 0.377 9.861 283 HA3 GLY 44 2HA GLY 44 10.065 2.128 9.961 284 H LEU 45 H LEU 45 8.828 0.175 11.696 285 HA LEU 45 HA LEU 45 5.995 0.799 11.176 286 HB2 LEU 45 1HB LEU 45 7.311 -1.669 12.210 287 HB3 LEU 45 2HB LEU 45 5.689 -1.264 12.769 288 HG LEU 45 HG LEU 45 6.350 -1.496 9.846 289 HD11 LEU 45 1HD1 LEU 45 6.934 -3.590 11.134 290 HD12 LEU 45 2HD1 LEU 45 5.738 -3.775 9.851 291 HD13 LEU 45 3HD1 LEU 45 5.221 -3.712 11.536 292 HD21 LEU 45 1HD2 LEU 45 4.201 -0.420 10.921 293 HD22 LEU 45 2HD2 LEU 45 3.715 -2.107 11.090 294 HD23 LEU 45 3HD2 LEU 45 4.090 -1.452 9.495 295 H LEU 46 H LEU 46 5.591 2.520 12.435 296 HA LEU 46 HA LEU 46 6.787 3.410 14.689 297 HB2 LEU 46 1HB LEU 46 4.783 4.359 13.386 298 HB3 LEU 46 2HB LEU 46 3.794 3.422 14.503 299 HG LEU 46 HG LEU 46 5.240 4.748 16.295 300 HD11 LEU 46 1HD1 LEU 46 6.658 5.986 14.898 301 HD12 LEU 46 2HD1 LEU 46 5.422 7.130 15.419 302 HD13 LEU 46 3HD1 LEU 46 5.344 6.423 13.805 303 HD21 LEU 46 1HD2 LEU 46 2.910 5.976 14.824 304 HD22 LEU 46 2HD2 LEU 46 3.413 6.319 16.480 305 HD23 LEU 46 3HD2 LEU 46 2.783 4.725 16.062 306 H LYS 47 H LYS 47 6.629 3.111 16.901 307 HA LYS 47 HA LYS 47 5.892 0.444 17.728 308 HB2 LYS 47 1HB LYS 47 7.947 1.382 18.593 309 HB3 LYS 47 2HB LYS 47 7.086 2.775 19.237 310 HG2 LYS 47 1HG LYS 47 7.704 1.123 20.960 311 HG3 LYS 47 2HG LYS 47 5.964 1.402 20.857 312 HD2 LYS 47 1HD LYS 47 6.367 -0.961 21.085 313 HD3 LYS 47 2HD LYS 47 5.770 -0.637 19.456 314 HE2 LYS 47 1HE LYS 47 7.569 -2.170 19.239 315 HE3 LYS 47 2HE LYS 47 8.167 -0.603 18.699 316 HZ1 LYS 47 1HZ LYS 47 8.564 -1.161 21.510 317 HZ2 LYS 47 2HZ LYS 47 9.627 -0.491 20.379 318 HZ3 LYS 47 3HZ LYS 47 9.429 -2.169 20.462 319 H ASP 48 H ASP 48 4.074 -0.147 18.725 320 HA ASP 48 HA ASP 48 2.121 -0.049 19.906 321 HB2 ASP 48 1HB ASP 48 3.539 1.757 21.221 322 HB3 ASP 48 2HB ASP 48 2.413 2.873 20.453 323 H GLY 49 H GLY 49 2.412 0.595 17.057 324 HA2 GLY 49 1HA GLY 49 0.239 2.514 16.618 325 HA3 GLY 49 2HA GLY 49 1.319 1.878 15.386 326 HA PRO 50 HA PRO 50 -2.854 -0.356 15.440 327 HB2 PRO 50 1HB PRO 50 -3.768 0.563 13.054 328 HB3 PRO 50 2HB PRO 50 -4.085 1.386 14.586 329 HG2 PRO 50 1HG PRO 50 -2.025 1.994 12.502 330 HG3 PRO 50 2HG PRO 50 -3.066 3.110 13.404 331 HD2 PRO 50 1HD PRO 50 -0.474 2.683 14.061 332 HD3 PRO 50 2HD PRO 50 -1.717 3.057 15.272 333 H ALA 51 H ALA 51 -0.610 0.353 12.784 334 HA ALA 51 HA ALA 51 -1.185 -2.032 11.331 335 HB1 ALA 51 1HB ALA 51 -0.122 0.190 10.514 336 HB2 ALA 51 2HB ALA 51 1.392 -0.543 11.048 337 HB3 ALA 51 3HB ALA 51 0.415 -1.338 9.813 338 H GLN 52 H GLN 52 1.710 -1.044 13.175 339 HA GLN 52 HA GLN 52 3.114 -3.401 13.079 340 HB2 GLN 52 1HB GLN 52 4.135 -1.465 14.031 341 HB3 GLN 52 2HB GLN 52 2.912 -1.361 15.290 342 HG2 GLN 52 1HG GLN 52 3.776 -3.658 16.037 343 HG3 GLN 52 2HG GLN 52 5.175 -3.300 15.025 344 HE21 GLN 52 1HE2 GLN 52 6.794 -2.289 15.963 345 HE22 GLN 52 2HE2 GLN 52 6.709 -1.355 17.414 346 H ARG 53 H ARG 53 0.570 -2.491 15.371 347 HA ARG 53 HA ARG 53 0.728 -4.796 16.981 348 HB2 ARG 53 1HB ARG 53 -1.432 -2.771 16.467 349 HB3 ARG 53 2HB ARG 53 -1.731 -4.166 17.495 350 HG2 ARG 53 1HG ARG 53 0.066 -3.488 18.979 351 HG3 ARG 53 2HG ARG 53 0.433 -2.118 17.930 352 HD2 ARG 53 1HD ARG 53 -0.873 -1.129 19.551 353 HD3 ARG 53 2HD ARG 53 -2.068 -1.507 18.310 354 HE ARG 53 HE ARG 53 -1.893 -3.659 20.107 355 HH11 ARG 53 2HH1 ARG 53 -3.003 -0.362 19.965 356 HH12 ARG 53 1HH1 ARG 53 -4.231 -0.587 21.166 357 HH21 ARG 53 2HH2 ARG 53 -3.506 -3.967 21.691 358 HH22 ARG 53 1HH2 ARG 53 -4.515 -2.637 22.148 359 H CYS 54 H CYS 54 -1.382 -4.009 14.228 360 HA CYS 54 HA CYS 54 -2.901 -6.328 14.185 361 HB2 CYS 54 1HB CYS 54 -2.091 -4.324 12.130 362 HB3 CYS 54 2HB CYS 54 -2.836 -5.818 11.576 363 HG CYS 54 HG CYS 54 -5.080 -4.493 11.638 364 H GLY 55 H GLY 55 0.310 -5.714 12.866 365 HA2 GLY 55 1HA GLY 55 1.983 -7.273 12.447 366 HA3 GLY 55 2HA GLY 55 0.835 -8.557 12.794 367 H ARG 56 H ARG 56 -1.119 -7.407 10.867 368 HA ARG 56 HA ARG 56 -0.706 -8.982 8.687 369 HB2 ARG 56 1HB ARG 56 -2.091 -6.310 8.872 370 HB3 ARG 56 2HB ARG 56 -2.132 -7.297 7.418 371 HG2 ARG 56 1HG ARG 56 -3.501 -8.865 8.350 372 HG3 ARG 56 2HG ARG 56 -2.923 -8.556 9.988 373 HD2 ARG 56 1HD ARG 56 -5.012 -7.620 10.098 374 HD3 ARG 56 2HD ARG 56 -4.058 -6.222 9.607 375 HE ARG 56 HE ARG 56 -5.247 -6.176 7.666 376 HH11 ARG 56 2HH1 ARG 56 -5.466 -9.376 9.019 377 HH12 ARG 56 1HH1 ARG 56 -6.579 -9.948 7.820 378 HH21 ARG 56 2HH2 ARG 56 -6.712 -6.917 6.083 379 HH22 ARG 56 1HH2 ARG 56 -7.286 -8.549 6.150 380 H LEU 57 H LEU 57 0.732 -5.869 9.341 381 HA LEU 57 HA LEU 57 2.095 -5.950 6.735 382 HB2 LEU 57 1HB LEU 57 1.622 -3.666 8.641 383 HB3 LEU 57 2HB LEU 57 2.621 -3.556 7.193 384 HG LEU 57 HG LEU 57 -0.258 -4.369 7.005 385 HD11 LEU 57 1HD1 LEU 57 -0.904 -2.388 7.777 386 HD12 LEU 57 2HD1 LEU 57 -0.144 -1.676 6.354 387 HD13 LEU 57 3HD1 LEU 57 0.756 -1.800 7.866 388 HD21 LEU 57 1HD2 LEU 57 1.524 -2.867 5.095 389 HD22 LEU 57 2HD2 LEU 57 -0.064 -3.560 4.766 390 HD23 LEU 57 3HD2 LEU 57 1.313 -4.618 5.078 391 H GLU 58 H GLU 58 4.252 -6.180 6.629 392 HA GLU 58 HA GLU 58 5.828 -5.883 9.086 393 HB2 GLU 58 1HB GLU 58 5.794 -8.289 7.264 394 HB3 GLU 58 2HB GLU 58 7.095 -7.969 8.403 395 HG2 GLU 58 1HG GLU 58 5.074 -7.804 10.101 396 HG3 GLU 58 2HG GLU 58 4.305 -8.838 8.898 397 H VAL 59 H VAL 59 8.065 -5.479 8.751 398 HA VAL 59 HA VAL 59 8.641 -3.762 6.610 399 HB VAL 59 HB VAL 59 10.456 -5.160 8.569 400 HG11 VAL 59 1HG1 VAL 59 12.148 -3.424 7.795 401 HG12 VAL 59 2HG1 VAL 59 11.863 -4.793 6.719 402 HG13 VAL 59 3HG1 VAL 59 11.130 -3.227 6.369 403 HG21 VAL 59 1HG2 VAL 59 10.598 -2.991 9.622 404 HG22 VAL 59 2HG2 VAL 59 9.620 -2.270 8.343 405 HG23 VAL 59 3HG2 VAL 59 8.903 -3.445 9.445 406 H GLY 60 H GLY 60 8.906 -4.286 4.545 407 HA2 GLY 60 1HA GLY 60 10.540 -5.363 3.011 408 HA3 GLY 60 2HA GLY 60 10.261 -6.839 3.924 409 H ASP 61 H ASP 61 7.358 -5.315 3.768 410 HA ASP 61 HA ASP 61 6.289 -7.195 1.915 411 HB2 ASP 61 1HB ASP 61 4.215 -6.441 2.572 412 HB3 ASP 61 2HB ASP 61 5.180 -5.930 3.954 413 H LEU 62 H LEU 62 4.905 -6.517 0.049 414 HA LEU 62 HA LEU 62 6.191 -4.317 -1.432 415 HB2 LEU 62 1HB LEU 62 4.958 -6.775 -2.652 416 HB3 LEU 62 2HB LEU 62 5.936 -5.548 -3.454 417 HG LEU 62 HG LEU 62 6.969 -7.455 -1.357 418 HD11 LEU 62 1HD1 LEU 62 8.016 -8.657 -3.178 419 HD12 LEU 62 2HD1 LEU 62 7.296 -7.556 -4.352 420 HD13 LEU 62 3HD1 LEU 62 6.267 -8.626 -3.401 421 HD21 LEU 62 1HD2 LEU 62 9.172 -6.708 -2.309 422 HD22 LEU 62 2HD2 LEU 62 8.295 -5.484 -1.391 423 HD23 LEU 62 3HD2 LEU 62 8.292 -5.434 -3.155 424 H VAL 63 H VAL 63 4.886 -2.683 -1.887 425 HA VAL 63 HA VAL 63 2.013 -2.990 -1.609 426 HB VAL 63 HB VAL 63 3.589 -0.503 -2.284 427 HG11 VAL 63 1HG1 VAL 63 0.857 -0.634 -1.050 428 HG12 VAL 63 2HG1 VAL 63 1.650 0.728 -1.844 429 HG13 VAL 63 3HG1 VAL 63 1.082 -0.642 -2.799 430 HG21 VAL 63 1HG2 VAL 63 2.466 -1.107 0.421 431 HG22 VAL 63 2HG2 VAL 63 4.046 -1.738 -0.044 432 HG23 VAL 63 3HG2 VAL 63 3.760 0.003 -0.032 433 H LEU 64 H LEU 64 0.587 -3.107 -3.231 434 HA LEU 64 HA LEU 64 1.611 -2.809 -5.974 435 HB2 LEU 64 1HB LEU 64 -0.721 -4.417 -4.944 436 HB3 LEU 64 2HB LEU 64 -0.254 -4.279 -6.637 437 HG LEU 64 HG LEU 64 1.488 -5.484 -4.489 438 HD11 LEU 64 1HD1 LEU 64 -0.817 -6.593 -5.343 439 HD12 LEU 64 2HD1 LEU 64 0.603 -7.519 -4.859 440 HD13 LEU 64 3HD1 LEU 64 0.300 -7.197 -6.566 441 HD21 LEU 64 1HD2 LEU 64 2.120 -4.533 -7.020 442 HD22 LEU 64 2HD2 LEU 64 1.958 -6.277 -7.232 443 HD23 LEU 64 3HD2 LEU 64 3.082 -5.634 -6.034 444 H HIS 65 H HIS 65 -1.049 -2.018 -3.806 445 HA HIS 65 HA HIS 65 -1.698 0.276 -5.468 446 HB2 HIS 65 1HB HIS 65 -3.806 -1.761 -4.719 447 HB3 HIS 65 2HB HIS 65 -4.087 -0.242 -5.564 448 HD1 HIS 65 1HD HIS 65 -2.145 -0.240 -7.794 449 HD2 HIS 65 2HD HIS 65 -4.043 -3.721 -6.552 450 HE1 HIS 65 1HE HIS 65 -2.039 -1.802 -9.762 451 HE2 HIS 65 2HE HIS 65 -3.268 -3.870 -9.016 452 H ILE 66 H ILE 66 -3.497 1.595 -4.361 453 HA ILE 66 HA ILE 66 -3.623 1.270 -1.481 454 HB ILE 66 HB ILE 66 -2.309 3.684 -2.731 455 HG12 ILE 66 1HG1 ILE 66 -1.287 1.671 -0.715 456 HG13 ILE 66 2HG1 ILE 66 -0.840 1.723 -2.417 457 HG21 ILE 66 1HG2 ILE 66 -3.901 3.509 -0.389 458 HG22 ILE 66 2HG2 ILE 66 -2.226 3.753 0.103 459 HG23 ILE 66 3HG2 ILE 66 -2.995 4.892 -1.002 460 HD11 ILE 66 1HD1 ILE 66 -0.259 3.828 -0.349 461 HD12 ILE 66 2HD1 ILE 66 0.895 2.709 -1.076 462 HD13 ILE 66 3HD1 ILE 66 0.130 3.954 -2.065 463 H ASN 67 H ASN 67 -5.629 1.719 -0.882 464 HA ASN 67 HA ASN 67 -7.787 2.453 -0.949 465 HB2 ASN 67 1HB ASN 67 -6.276 4.953 -1.715 466 HB3 ASN 67 2HB ASN 67 -8.009 4.944 -1.397 467 HD21 ASN 67 1HD2 ASN 67 -5.052 5.468 -0.067 468 HD22 ASN 67 2HD2 ASN 67 -5.447 5.266 1.603 469 H GLY 68 H GLY 68 -7.279 0.967 -3.141 470 HA2 GLY 68 1HA GLY 68 -8.055 0.504 -5.251 471 HA3 GLY 68 2HA GLY 68 -9.268 1.739 -4.947 472 H GLU 69 H GLU 69 -5.892 2.550 -4.856 473 HA GLU 69 HA GLU 69 -6.193 3.920 -7.449 474 HB2 GLU 69 1HB GLU 69 -6.136 5.425 -5.435 475 HB3 GLU 69 2HB GLU 69 -4.501 4.855 -5.129 476 HG2 GLU 69 1HG GLU 69 -3.638 5.922 -6.988 477 HG3 GLU 69 2HG GLU 69 -5.209 6.030 -7.781 478 H SER 70 H SER 70 -4.728 3.474 -8.968 479 HA SER 70 HA SER 70 -2.769 1.455 -8.527 480 HB2 SER 70 1HB SER 70 -3.160 3.275 -10.916 481 HB3 SER 70 2HB SER 70 -2.171 1.816 -10.887 482 HG SER 70 HG SER 70 -3.945 0.589 -10.814 483 H THR 71 H THR 71 -0.808 1.701 -7.712 484 HA THR 71 HA THR 71 0.329 4.338 -7.375 485 HB THR 71 HB THR 71 0.447 2.544 -5.608 486 HG1 THR 71 1HG THR 71 2.045 3.749 -4.944 487 HG21 THR 71 1HG2 THR 71 2.768 1.422 -7.135 488 HG22 THR 71 2HG2 THR 71 1.140 0.799 -7.405 489 HG23 THR 71 3HG2 THR 71 1.863 0.712 -5.799 490 H GLN 72 H GLN 72 0.226 2.378 -9.940 491 HA GLN 72 HA GLN 72 2.801 1.956 -10.836 492 HB2 GLN 72 1HB GLN 72 0.981 1.058 -12.083 493 HB3 GLN 72 2HB GLN 72 0.288 2.653 -12.349 494 HG2 GLN 72 1HG GLN 72 2.017 3.244 -13.864 495 HG3 GLN 72 2HG GLN 72 2.956 1.812 -13.446 496 HE21 GLN 72 1HE2 GLN 72 2.541 -0.084 -14.448 497 HE22 GLN 72 2HE2 GLN 72 1.358 -0.285 -15.691 498 H GLY 73 H GLY 73 1.143 4.931 -10.393 499 HA2 GLY 73 1HA GLY 73 3.404 6.339 -11.669 500 HA3 GLY 73 2HA GLY 73 1.749 6.891 -11.878 501 H LEU 74 H LEU 74 2.587 5.593 -8.807 502 HA LEU 74 HA LEU 74 2.838 8.317 -7.713 503 HB2 LEU 74 1HB LEU 74 1.476 6.018 -6.330 504 HB3 LEU 74 2HB LEU 74 1.511 7.708 -5.830 505 HG LEU 74 HG LEU 74 0.144 6.747 -8.338 506 HD11 LEU 74 1HD1 LEU 74 -0.815 6.906 -5.518 507 HD12 LEU 74 2HD1 LEU 74 -1.139 5.688 -6.752 508 HD13 LEU 74 3HD1 LEU 74 -1.927 7.264 -6.840 509 HD21 LEU 74 1HD2 LEU 74 0.427 9.343 -6.918 510 HD22 LEU 74 2HD2 LEU 74 -1.107 8.989 -7.714 511 HD23 LEU 74 3HD2 LEU 74 0.391 8.995 -8.647 512 H THR 75 H THR 75 4.392 8.654 -6.206 513 HA THR 75 HA THR 75 6.145 6.373 -5.600 514 HB THR 75 HB THR 75 7.603 7.858 -6.529 515 HG1 THR 75 1HG THR 75 7.580 9.213 -4.056 516 HG21 THR 75 1HG2 THR 75 7.379 10.328 -6.366 517 HG22 THR 75 2HG2 THR 75 5.895 10.097 -5.441 518 HG23 THR 75 3HG2 THR 75 5.984 9.551 -7.115 519 H HIS 76 H HIS 76 7.353 6.626 -3.461 520 HA HIS 76 HA HIS 76 5.845 6.186 -1.309 521 HB2 HIS 76 1HB HIS 76 8.157 5.989 -0.976 522 HB3 HIS 76 2HB HIS 76 8.468 7.640 -1.502 523 HD1 HIS 76 1HD HIS 76 9.748 8.200 0.663 524 HD2 HIS 76 2HD HIS 76 5.810 7.032 1.284 525 HE1 HIS 76 1HE HIS 76 9.241 8.788 3.055 526 HE2 HIS 76 2HE HIS 76 6.881 7.994 3.432 527 H ALA 77 H ALA 77 6.895 9.457 -2.250 528 HA ALA 77 HA ALA 77 5.606 10.879 -0.238 529 HB1 ALA 77 1HB ALA 77 5.516 12.347 -2.704 530 HB2 ALA 77 2HB ALA 77 6.532 12.603 -1.285 531 HB3 ALA 77 3HB ALA 77 7.053 11.495 -2.554 532 H GLN 78 H GLN 78 4.426 10.302 -3.558 533 HA GLN 78 HA GLN 78 1.903 11.423 -3.239 534 HB2 GLN 78 1HB GLN 78 2.730 9.114 -5.006 535 HB3 GLN 78 2HB GLN 78 1.230 10.019 -5.167 536 HG2 GLN 78 1HG GLN 78 4.030 11.036 -5.571 537 HG3 GLN 78 2HG GLN 78 2.775 10.825 -6.791 538 HE21 GLN 78 1HE2 GLN 78 0.632 11.992 -5.973 539 HE22 GLN 78 2HE2 GLN 78 0.873 13.650 -5.554 540 H ALA 79 H ALA 79 2.714 7.948 -3.127 541 HA ALA 79 HA ALA 79 0.357 6.836 -2.442 542 HB1 ALA 79 1HB ALA 79 2.137 5.356 -2.655 543 HB2 ALA 79 2HB ALA 79 3.124 6.219 -1.474 544 HB3 ALA 79 3HB ALA 79 1.740 5.267 -0.938 545 H VAL 80 H VAL 80 2.562 8.445 -0.169 546 HA VAL 80 HA VAL 80 1.063 7.990 2.160 547 HB VAL 80 HB VAL 80 2.935 10.271 1.515 548 HG11 VAL 80 1HG1 VAL 80 3.113 10.533 3.965 549 HG12 VAL 80 2HG1 VAL 80 1.497 10.892 3.356 550 HG13 VAL 80 3HG1 VAL 80 1.815 9.356 4.162 551 HG21 VAL 80 1HG2 VAL 80 4.670 8.994 2.322 552 HG22 VAL 80 2HG2 VAL 80 3.609 7.963 3.282 553 HG23 VAL 80 3HG2 VAL 80 3.685 7.762 1.532 554 H GLU 81 H GLU 81 1.215 10.910 0.115 555 HA GLU 81 HA GLU 81 -0.575 12.529 1.356 556 HB2 GLU 81 1HB GLU 81 0.713 12.751 -0.937 557 HB3 GLU 81 2HB GLU 81 -0.832 12.247 -1.607 558 HG2 GLU 81 1HG GLU 81 -1.737 14.164 -0.035 559 HG3 GLU 81 2HG GLU 81 -0.090 14.763 -0.224 560 H ARG 82 H ARG 82 -1.352 9.834 -0.803 561 HA ARG 82 HA ARG 82 -4.152 10.240 -0.803 562 HB2 ARG 82 1HB ARG 82 -2.575 7.705 -1.286 563 HB3 ARG 82 2HB ARG 82 -4.275 7.936 -1.673 564 HG2 ARG 82 1HG ARG 82 -2.110 9.663 -2.832 565 HG3 ARG 82 2HG ARG 82 -2.630 8.152 -3.581 566 HD2 ARG 82 1HD ARG 82 -3.894 9.791 -4.664 567 HD3 ARG 82 2HD ARG 82 -4.995 9.125 -3.458 568 HE ARG 82 HE ARG 82 -3.630 11.359 -2.398 569 HH11 ARG 82 2HH1 ARG 82 -6.133 10.518 -4.668 570 HH12 ARG 82 1HH1 ARG 82 -6.976 12.021 -4.495 571 HH21 ARG 82 2HH2 ARG 82 -4.731 13.342 -2.162 572 HH22 ARG 82 1HH2 ARG 82 -6.177 13.628 -3.070 573 H ILE 83 H ILE 83 -2.180 7.815 0.920 574 HA ILE 83 HA ILE 83 -4.117 6.616 2.434 575 HB ILE 83 HB ILE 83 -1.340 7.325 3.388 576 HG12 ILE 83 1HG1 ILE 83 -2.131 4.660 2.273 577 HG13 ILE 83 2HG1 ILE 83 -1.752 5.976 1.168 578 HG21 ILE 83 1HG2 ILE 83 -2.828 4.908 4.285 579 HG22 ILE 83 2HG2 ILE 83 -1.584 5.841 5.115 580 HG23 ILE 83 3HG2 ILE 83 -3.229 6.467 5.005 581 HD11 ILE 83 1HD1 ILE 83 0.018 4.229 2.508 582 HD12 ILE 83 2HD1 ILE 83 0.400 5.548 1.400 583 HD13 ILE 83 3HD1 ILE 83 0.289 5.856 3.133 584 H ARG 84 H ARG 84 -2.399 9.630 3.165 585 HA ARG 84 HA ARG 84 -3.509 10.079 5.701 586 HB2 ARG 84 1HB ARG 84 -2.398 11.951 3.616 587 HB3 ARG 84 2HB ARG 84 -2.971 12.521 5.178 588 HG2 ARG 84 1HG ARG 84 -0.739 10.556 4.705 589 HG3 ARG 84 2HG ARG 84 -0.572 12.240 5.208 590 HD2 ARG 84 1HD ARG 84 -2.173 11.448 7.152 591 HD3 ARG 84 2HD ARG 84 -1.495 9.870 6.753 592 HE ARG 84 HE ARG 84 0.396 10.507 7.840 593 HH11 ARG 84 2HH1 ARG 84 -1.251 13.373 6.746 594 HH12 ARG 84 1HH1 ARG 84 -0.115 14.461 7.473 595 HH21 ARG 84 2HH2 ARG 84 1.898 11.930 8.802 596 HH22 ARG 84 1HH2 ARG 84 1.676 13.639 8.641 597 H ALA 85 H ALA 85 -4.525 11.270 2.506 598 HA ALA 85 HA ALA 85 -6.819 12.637 3.483 599 HB1 ALA 85 1HB ALA 85 -7.473 12.770 1.103 600 HB2 ALA 85 2HB ALA 85 -5.813 13.295 1.392 601 HB3 ALA 85 3HB ALA 85 -6.127 11.703 0.701 602 H GLY 86 H GLY 86 -6.168 9.347 2.636 603 HA2 GLY 86 1HA GLY 86 -8.533 8.279 1.839 604 HA3 GLY 86 2HA GLY 86 -7.469 7.471 2.982 605 H GLY 87 H GLY 87 -7.796 9.488 5.057 606 HA2 GLY 87 1HA GLY 87 -9.652 10.385 6.355 607 HA3 GLY 87 2HA GLY 87 -10.631 9.054 5.757 608 HA PRO 88 HA PRO 88 -9.274 7.871 9.989 609 HB2 PRO 88 1HB PRO 88 -11.630 6.695 10.647 610 HB3 PRO 88 2HB PRO 88 -11.340 8.429 10.823 611 HG2 PRO 88 1HG PRO 88 -12.765 6.960 8.639 612 HG3 PRO 88 2HG PRO 88 -13.217 8.470 9.451 613 HD2 PRO 88 1HD PRO 88 -12.039 8.423 7.014 614 HD3 PRO 88 2HD PRO 88 -11.769 9.735 8.180 615 H GLN 89 H GLN 89 -10.657 6.145 7.301 616 HA GLN 89 HA GLN 89 -9.705 3.591 8.398 617 HB2 GLN 89 1HB GLN 89 -11.750 4.303 6.323 618 HB3 GLN 89 2HB GLN 89 -11.020 2.704 6.331 619 HG2 GLN 89 1HG GLN 89 -11.723 2.624 8.801 620 HG3 GLN 89 2HG GLN 89 -12.772 3.981 8.392 621 HE21 GLN 89 1HE2 GLN 89 -13.944 1.767 9.305 622 HE22 GLN 89 2HE2 GLN 89 -14.757 0.921 8.037 623 H LEU 90 H LEU 90 -7.878 2.749 7.657 624 HA LEU 90 HA LEU 90 -6.659 3.904 5.263 625 HB2 LEU 90 1HB LEU 90 -5.123 3.938 6.995 626 HB3 LEU 90 2HB LEU 90 -5.635 2.368 7.612 627 HG LEU 90 HG LEU 90 -4.290 2.504 4.953 628 HD11 LEU 90 1HD1 LEU 90 -2.706 2.355 7.495 629 HD12 LEU 90 2HD1 LEU 90 -3.001 3.887 6.672 630 HD13 LEU 90 3HD1 LEU 90 -2.133 2.594 5.844 631 HD21 LEU 90 1HD2 LEU 90 -3.335 0.395 6.477 632 HD22 LEU 90 2HD2 LEU 90 -4.576 0.313 5.226 633 HD23 LEU 90 3HD2 LEU 90 -5.039 0.511 6.917 634 H HIS 91 H HIS 91 -6.248 2.771 3.438 635 HA HIS 91 HA HIS 91 -6.816 -0.111 3.432 636 HB2 HIS 91 1HB HIS 91 -8.725 1.425 2.542 637 HB3 HIS 91 2HB HIS 91 -7.687 1.609 1.131 638 HD1 HIS 91 1HD HIS 91 -8.038 -0.077 -0.641 639 HD2 HIS 91 2HD HIS 91 -9.264 -1.467 3.078 640 HE1 HIS 91 1HE HIS 91 -9.049 -2.339 -1.069 641 HE2 HIS 91 2HE HIS 91 -9.861 -3.123 1.183 642 H LEU 92 H LEU 92 -4.912 -1.000 2.956 643 HA LEU 92 HA LEU 92 -3.434 0.061 0.642 644 HB2 LEU 92 1HB LEU 92 -2.107 -1.171 3.040 645 HB3 LEU 92 2HB LEU 92 -1.353 -0.296 1.708 646 HG LEU 92 HG LEU 92 -3.130 0.929 3.818 647 HD11 LEU 92 1HD1 LEU 92 -1.185 0.457 4.968 648 HD12 LEU 92 2HD1 LEU 92 -0.863 2.074 4.345 649 HD13 LEU 92 3HD1 LEU 92 -0.166 0.666 3.543 650 HD21 LEU 92 1HD2 LEU 92 -3.109 2.832 2.651 651 HD22 LEU 92 2HD2 LEU 92 -2.626 1.840 1.275 652 HD23 LEU 92 3HD2 LEU 92 -1.402 2.664 2.241 653 H VAL 93 H VAL 93 -3.027 -1.390 -0.894 654 HA VAL 93 HA VAL 93 -3.756 -4.165 -0.438 655 HB VAL 93 HB VAL 93 -2.706 -3.070 -3.031 656 HG11 VAL 93 1HG1 VAL 93 -4.462 -5.360 -2.206 657 HG12 VAL 93 2HG1 VAL 93 -4.438 -4.762 -3.867 658 HG13 VAL 93 3HG1 VAL 93 -2.962 -5.393 -3.134 659 HG21 VAL 93 1HG2 VAL 93 -5.220 -2.728 -3.534 660 HG22 VAL 93 2HG2 VAL 93 -5.392 -2.633 -1.781 661 HG23 VAL 93 3HG2 VAL 93 -4.356 -1.486 -2.629 662 H ILE 94 H ILE 94 -2.276 -5.491 0.377 663 HA ILE 94 HA ILE 94 0.495 -5.262 -0.604 664 HB ILE 94 HB ILE 94 -0.403 -6.131 2.146 665 HG12 ILE 94 1HG1 ILE 94 -0.535 -3.720 1.883 666 HG13 ILE 94 2HG1 ILE 94 0.850 -4.120 2.893 667 HG21 ILE 94 1HG2 ILE 94 2.046 -6.178 2.627 668 HG22 ILE 94 2HG2 ILE 94 1.500 -7.427 1.509 669 HG23 ILE 94 3HG2 ILE 94 2.334 -5.999 0.897 670 HD11 ILE 94 1HD1 ILE 94 0.741 -2.702 0.386 671 HD12 ILE 94 2HD1 ILE 94 2.048 -2.818 1.565 672 HD13 ILE 94 3HD1 ILE 94 1.872 -4.054 0.320 673 H ARG 95 H ARG 95 1.587 -7.147 -1.094 674 HA ARG 95 HA ARG 95 0.016 -9.634 -0.976 675 HB2 ARG 95 1HB ARG 95 -0.046 -8.857 -3.258 676 HB3 ARG 95 2HB ARG 95 1.693 -8.602 -3.265 677 HG2 ARG 95 1HG ARG 95 2.084 -10.978 -3.112 678 HG3 ARG 95 2HG ARG 95 0.351 -11.280 -2.974 679 HD2 ARG 95 1HD ARG 95 0.115 -10.143 -5.225 680 HD3 ARG 95 2HD ARG 95 1.872 -10.228 -5.347 681 HE ARG 95 HE ARG 95 0.029 -12.354 -5.766 682 HH11 ARG 95 2HH1 ARG 95 3.219 -11.627 -4.577 683 HH12 ARG 95 1HH1 ARG 95 3.849 -13.204 -4.922 684 HH21 ARG 95 2HH2 ARG 95 0.847 -14.434 -6.226 685 HH22 ARG 95 1HH2 ARG 95 2.499 -14.799 -5.861 686 H ARG 96 H ARG 96 1.064 -10.587 0.709 687 HA ARG 96 HA ARG 96 3.702 -10.474 1.422 688 HB2 ARG 96 1HB ARG 96 1.906 -11.613 2.711 689 HB3 ARG 96 2HB ARG 96 1.970 -12.947 1.567 690 HG2 ARG 96 1HG ARG 96 4.213 -13.482 2.227 691 HG3 ARG 96 2HG ARG 96 4.295 -12.048 3.252 692 HD2 ARG 96 1HD ARG 96 2.730 -12.929 4.782 693 HD3 ARG 96 2HD ARG 96 2.242 -14.202 3.664 694 HE ARG 96 HE ARG 96 4.886 -14.681 4.102 695 HH11 ARG 96 2HH1 ARG 96 2.099 -14.293 6.153 696 HH12 ARG 96 1HH1 ARG 96 2.703 -15.345 7.391 697 HH21 ARG 96 2HH2 ARG 96 5.690 -16.067 5.725 698 HH22 ARG 96 1HH2 ARG 96 4.746 -16.352 7.147 699 HA PRO 97 HA PRO 97 5.482 -12.296 -2.299 700 HB2 PRO 97 1HB PRO 97 8.021 -11.524 -1.725 701 HB3 PRO 97 2HB PRO 97 6.823 -10.436 -2.435 702 HG2 PRO 97 1HG PRO 97 7.694 -10.694 0.418 703 HG3 PRO 97 2HG PRO 97 7.393 -9.227 -0.532 704 HD2 PRO 97 1HD PRO 97 5.591 -10.217 1.231 705 HD3 PRO 97 2HD PRO 97 5.110 -9.360 -0.248 706 H LEU 98 H LEU 98 7.100 -13.949 -2.680 707 HA LEU 98 HA LEU 98 6.949 -16.171 -1.133 708 HB2 LEU 98 1HB LEU 98 8.592 -17.093 -2.431 709 HB3 LEU 98 2HB LEU 98 8.095 -15.733 -3.435 710 HG LEU 98 HG LEU 98 10.525 -15.785 -1.646 711 HD11 LEU 98 1HD1 LEU 98 10.425 -15.852 -4.652 712 HD12 LEU 98 2HD1 LEU 98 10.594 -17.295 -3.653 713 HD13 LEU 98 3HD1 LEU 98 11.833 -16.041 -3.608 714 HD21 LEU 98 1HD2 LEU 98 10.475 -13.790 -3.727 715 HD22 LEU 98 2HD2 LEU 98 10.726 -13.599 -1.992 716 HD23 LEU 98 3HD2 LEU 98 9.089 -13.616 -2.650 717 H SER 99 H SER 99 8.513 -17.264 0.256 718 HA SER 99 HA SER 99 9.824 -15.354 2.069 719 HB2 SER 99 1HB SER 99 8.938 -18.190 2.647 720 HB3 SER 99 2HB SER 99 9.575 -17.033 3.816 721 HG SER 99 HG SER 99 7.513 -16.625 4.067 722 H GLY 100 H GLY 100 10.239 -18.749 1.033 723 HA2 GLY 100 1HA GLY 100 12.849 -19.133 1.781 724 HA3 GLY 100 2HA GLY 100 12.127 -19.885 0.366 725 HA PRO 101 HA PRO 101 15.366 -16.449 -0.625 726 HB2 PRO 101 1HB PRO 101 17.694 -17.842 -0.528 727 HB3 PRO 101 2HB PRO 101 17.052 -16.948 0.854 728 HG2 PRO 101 1HG PRO 101 16.892 -19.876 0.252 729 HG3 PRO 101 2HG PRO 101 17.236 -19.068 1.792 730 HD2 PRO 101 1HD PRO 101 14.797 -20.079 1.191 731 HD3 PRO 101 2HD PRO 101 15.010 -18.642 2.211 732 H SER 102 H SER 102 14.788 -16.396 -2.736 733 HA SER 102 HA SER 102 14.640 -18.539 -4.500 734 HB2 SER 102 1HB SER 102 13.652 -16.299 -4.915 735 HB3 SER 102 2HB SER 102 15.271 -15.661 -5.200 736 HG SER 102 HG SER 102 13.847 -16.486 -7.051 737 H SER 103 H SER 103 16.287 -19.910 -4.802 738 HA SER 103 HA SER 103 18.929 -19.691 -4.500 739 HB2 SER 103 1HB SER 103 19.247 -21.348 -6.303 740 HB3 SER 103 2HB SER 103 17.861 -21.751 -5.289 741 HG SER 103 HG SER 103 16.753 -20.371 -7.074 742 H GLY 104 H GLY 104 20.358 -18.198 -5.064 743 HA2 GLY 104 1HA GLY 104 20.891 -17.521 -7.760 744 HA3 GLY 104 2HA GLY 104 19.982 -16.225 -6.996 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -13.916 5.685 -17.292 2 HA2 GLY 1 1HA GLY 1 -15.624 5.689 -14.915 3 HA3 GLY 1 2HA GLY 1 -16.226 4.862 -16.344 4 H SER 2 H SER 2 -14.295 4.622 -13.568 5 HA SER 2 HA SER 2 -12.689 2.404 -14.465 6 HB2 SER 2 1HB SER 2 -13.134 3.653 -11.750 7 HB3 SER 2 2HB SER 2 -12.086 2.258 -12.006 8 HG SER 2 HG SER 2 -11.187 3.809 -13.748 9 H SER 3 H SER 3 -14.025 0.752 -15.101 10 HA SER 3 HA SER 3 -15.980 -0.263 -13.165 11 HB2 SER 3 1HB SER 3 -16.401 0.168 -15.743 12 HB3 SER 3 2HB SER 3 -15.677 -1.433 -15.901 13 HG SER 3 HG SER 3 -17.312 -1.905 -14.093 14 H GLY 4 H GLY 4 -16.085 -2.559 -12.734 15 HA2 GLY 4 1HA GLY 4 -15.183 -4.704 -12.519 16 HA3 GLY 4 2HA GLY 4 -13.751 -4.163 -13.384 17 H SER 5 H SER 5 -12.020 -4.407 -12.148 18 HA SER 5 HA SER 5 -10.655 -4.493 -10.324 19 HB2 SER 5 1HB SER 5 -10.960 -2.032 -10.582 20 HB3 SER 5 2HB SER 5 -12.291 -2.108 -9.428 21 HG SER 5 HG SER 5 -10.755 -1.821 -8.018 22 H SER 6 H SER 6 -12.789 -6.258 -10.157 23 HA SER 6 HA SER 6 -13.686 -6.088 -7.367 24 HB2 SER 6 1HB SER 6 -14.711 -7.525 -9.790 25 HB3 SER 6 2HB SER 6 -15.108 -8.138 -8.185 26 HG SER 6 HG SER 6 -16.060 -5.942 -9.500 27 H GLY 7 H GLY 7 -12.416 -8.511 -9.661 28 HA2 GLY 7 1HA GLY 7 -10.530 -9.499 -7.752 29 HA3 GLY 7 2HA GLY 7 -11.909 -10.576 -7.918 30 H GLN 8 H GLN 8 -9.628 -8.777 -9.986 31 HA GLN 8 HA GLN 8 -9.908 -10.558 -12.180 32 HB2 GLN 8 1HB GLN 8 -7.963 -8.379 -11.484 33 HB3 GLN 8 2HB GLN 8 -7.692 -9.403 -12.888 34 HG2 GLN 8 1HG GLN 8 -10.025 -8.757 -13.633 35 HG3 GLN 8 2HG GLN 8 -9.973 -7.524 -12.373 36 HE21 GLN 8 1HE2 GLN 8 -8.546 -8.622 -15.367 37 HE22 GLN 8 2HE2 GLN 8 -7.813 -7.118 -15.796 38 H ALA 9 H ALA 9 -7.407 -10.167 -9.687 39 HA ALA 9 HA ALA 9 -6.596 -12.946 -10.177 40 HB1 ALA 9 1HB ALA 9 -4.964 -10.547 -10.541 41 HB2 ALA 9 2HB ALA 9 -4.216 -11.778 -9.522 42 HB3 ALA 9 3HB ALA 9 -4.734 -12.184 -11.158 43 H SER 10 H SER 10 -6.124 -14.106 -8.375 44 HA SER 10 HA SER 10 -6.801 -12.911 -5.832 45 HB2 SER 10 1HB SER 10 -7.426 -15.287 -6.689 46 HB3 SER 10 2HB SER 10 -5.799 -15.726 -6.168 47 HG SER 10 HG SER 10 -7.377 -14.295 -4.374 48 H GLY 11 H GLY 11 -5.446 -13.181 -3.915 49 HA2 GLY 11 1HA GLY 11 -3.170 -13.790 -3.117 50 HA3 GLY 11 2HA GLY 11 -2.572 -13.050 -4.594 51 H HIS 12 H HIS 12 -3.635 -10.692 -4.826 52 HA HIS 12 HA HIS 12 -2.393 -9.120 -2.858 53 HB2 HIS 12 1HB HIS 12 -4.591 -7.968 -4.519 54 HB3 HIS 12 2HB HIS 12 -3.013 -7.293 -4.125 55 HD1 HIS 12 1HD HIS 12 -4.775 -9.395 -6.622 56 HD2 HIS 12 2HD HIS 12 -0.893 -8.172 -5.790 57 HE1 HIS 12 1HE HIS 12 -3.439 -9.952 -8.679 58 HE2 HIS 12 2HE HIS 12 -1.077 -9.281 -8.119 59 H PHE 13 H PHE 13 -3.046 -8.424 -0.932 60 HA PHE 13 HA PHE 13 -5.916 -8.602 -0.287 61 HB2 PHE 13 1HB PHE 13 -5.239 -9.098 2.049 62 HB3 PHE 13 2HB PHE 13 -4.706 -10.331 0.911 63 HD1 PHE 13 2HD PHE 13 -3.602 -7.458 2.942 64 HD2 PHE 13 1HD PHE 13 -2.415 -10.811 0.604 65 HE1 PHE 13 2HE PHE 13 -1.294 -7.201 3.752 66 HE2 PHE 13 1HE PHE 13 -0.104 -10.559 1.411 67 HZ PHE 13 HZ PHE 13 0.459 -8.752 2.986 68 H SER 14 H SER 14 -6.673 -7.101 1.361 69 HA SER 14 HA SER 14 -5.235 -4.544 1.194 70 HB2 SER 14 1HB SER 14 -8.115 -4.904 2.017 71 HB3 SER 14 2HB SER 14 -7.319 -3.436 1.450 72 HG SER 14 HG SER 14 -7.208 -4.315 -0.599 73 H VAL 15 H VAL 15 -5.230 -3.147 3.071 74 HA VAL 15 HA VAL 15 -5.264 -4.670 5.597 75 HB VAL 15 HB VAL 15 -3.514 -2.306 4.903 76 HG11 VAL 15 1HG1 VAL 15 -2.995 -4.058 7.238 77 HG12 VAL 15 2HG1 VAL 15 -2.693 -2.333 7.025 78 HG13 VAL 15 3HG1 VAL 15 -4.326 -2.909 7.362 79 HG21 VAL 15 1HG2 VAL 15 -1.792 -3.722 4.421 80 HG22 VAL 15 2HG2 VAL 15 -2.412 -5.009 5.455 81 HG23 VAL 15 3HG2 VAL 15 -3.140 -4.719 3.875 82 H GLU 16 H GLU 16 -6.712 -4.031 7.042 83 HA GLU 16 HA GLU 16 -7.847 -1.328 6.793 84 HB2 GLU 16 1HB GLU 16 -9.009 -3.842 8.001 85 HB3 GLU 16 2HB GLU 16 -9.777 -2.262 8.082 86 HG2 GLU 16 1HG GLU 16 -9.931 -2.197 5.655 87 HG3 GLU 16 2HG GLU 16 -9.133 -3.766 5.555 88 H LEU 17 H LEU 17 -7.213 0.095 8.260 89 HA LEU 17 HA LEU 17 -6.760 -0.795 11.015 90 HB2 LEU 17 1HB LEU 17 -4.911 1.100 9.582 91 HB3 LEU 17 2HB LEU 17 -4.728 0.456 11.212 92 HG LEU 17 HG LEU 17 -4.603 -1.225 8.712 93 HD11 LEU 17 1HD1 LEU 17 -2.234 -0.434 10.361 94 HD12 LEU 17 2HD1 LEU 17 -2.795 0.585 9.037 95 HD13 LEU 17 3HD1 LEU 17 -2.289 -1.074 8.718 96 HD21 LEU 17 1HD2 LEU 17 -3.208 -2.306 10.932 97 HD22 LEU 17 2HD2 LEU 17 -4.627 -2.949 10.106 98 HD23 LEU 17 3HD2 LEU 17 -4.823 -1.852 11.474 99 H VAL 18 H VAL 18 -6.917 0.903 12.598 100 HA VAL 18 HA VAL 18 -8.617 3.119 11.673 101 HB VAL 18 HB VAL 18 -8.383 1.935 14.443 102 HG11 VAL 18 1HG1 VAL 18 -8.969 4.174 14.763 103 HG12 VAL 18 2HG1 VAL 18 -9.993 4.207 13.326 104 HG13 VAL 18 3HG1 VAL 18 -10.514 3.324 14.762 105 HG21 VAL 18 1HG2 VAL 18 -9.517 0.589 12.562 106 HG22 VAL 18 2HG2 VAL 18 -10.392 0.813 14.077 107 HG23 VAL 18 3HG2 VAL 18 -10.796 1.798 12.671 108 H ARG 19 H ARG 19 -7.616 5.007 11.512 109 HA ARG 19 HA ARG 19 -5.119 5.731 12.194 110 HB2 ARG 19 1HB ARG 19 -7.102 7.086 11.100 111 HB3 ARG 19 2HB ARG 19 -7.254 7.755 12.719 112 HG2 ARG 19 1HG ARG 19 -4.866 8.418 12.611 113 HG3 ARG 19 2HG ARG 19 -4.833 7.866 10.935 114 HD2 ARG 19 1HD ARG 19 -6.615 9.468 10.390 115 HD3 ARG 19 2HD ARG 19 -6.606 10.031 12.061 116 HE ARG 19 HE ARG 19 -4.692 11.223 11.623 117 HH11 ARG 19 2HH1 ARG 19 -5.318 9.015 9.006 118 HH12 ARG 19 1HH1 ARG 19 -4.106 9.694 7.970 119 HH21 ARG 19 2HH2 ARG 19 -3.093 12.125 10.269 120 HH22 ARG 19 1HH2 ARG 19 -2.841 11.462 8.690 121 H GLY 20 H GLY 20 -4.099 5.329 14.056 122 HA2 GLY 20 1HA GLY 20 -5.507 5.751 16.590 123 HA3 GLY 20 2HA GLY 20 -3.982 4.902 16.383 124 H TYR 21 H TYR 21 -2.763 6.005 17.845 125 HA TYR 21 HA TYR 21 -2.769 8.875 17.972 126 HB2 TYR 21 1HB TYR 21 -2.355 7.444 19.960 127 HB3 TYR 21 2HB TYR 21 -0.843 6.912 19.234 128 HD1 TYR 21 2HD TYR 21 1.051 8.461 19.030 129 HD2 TYR 21 1HD TYR 21 -2.557 9.625 20.961 130 HE1 TYR 21 2HE TYR 21 2.216 10.377 20.040 131 HE2 TYR 21 1HE TYR 21 -1.403 11.545 21.975 132 HH TYR 21 HH TYR 21 0.747 12.335 22.497 133 H ALA 22 H ALA 22 -1.537 10.252 16.871 134 HA ALA 22 HA ALA 22 0.022 11.089 15.439 135 HB1 ALA 22 1HB ALA 22 1.692 8.770 16.404 136 HB2 ALA 22 2HB ALA 22 2.285 10.206 15.570 137 HB3 ALA 22 3HB ALA 22 1.580 10.350 17.180 138 H GLY 23 H GLY 23 -1.905 9.685 14.175 139 HA2 GLY 23 1HA GLY 23 -2.298 8.890 12.042 140 HA3 GLY 23 2HA GLY 23 -0.560 8.841 11.785 141 H PHE 24 H PHE 24 -0.724 6.830 10.735 142 HA PHE 24 HA PHE 24 -1.676 4.566 12.314 143 HB2 PHE 24 1HB PHE 24 -0.821 4.836 9.431 144 HB3 PHE 24 2HB PHE 24 -1.194 3.285 10.177 145 HD1 PHE 24 1HD PHE 24 -3.476 2.745 10.849 146 HD2 PHE 24 2HD PHE 24 -2.546 6.402 8.878 147 HE1 PHE 24 1HE PHE 24 -5.862 3.078 10.348 148 HE2 PHE 24 2HE PHE 24 -4.931 6.741 8.376 149 HZ PHE 24 HZ PHE 24 -6.592 5.078 9.111 150 H GLY 25 H GLY 25 1.178 6.226 11.784 151 HA2 GLY 25 1HA GLY 25 3.346 5.796 12.410 152 HA3 GLY 25 2HA GLY 25 2.736 4.386 13.263 153 H LEU 26 H LEU 26 2.216 4.798 9.842 154 HA LEU 26 HA LEU 26 4.014 2.523 9.360 155 HB2 LEU 26 1HB LEU 26 1.536 2.373 8.820 156 HB3 LEU 26 2HB LEU 26 1.855 3.520 7.521 157 HG LEU 26 HG LEU 26 3.336 1.924 6.443 158 HD11 LEU 26 1HD1 LEU 26 2.808 -0.481 7.769 159 HD12 LEU 26 2HD1 LEU 26 3.266 0.667 9.026 160 HD13 LEU 26 3HD1 LEU 26 4.347 0.374 7.664 161 HD21 LEU 26 1HD2 LEU 26 1.534 0.013 6.231 162 HD22 LEU 26 2HD2 LEU 26 1.245 1.622 5.570 163 HD23 LEU 26 3HD2 LEU 26 0.541 1.166 7.122 164 H THR 27 H THR 27 5.774 2.772 8.142 165 HA THR 27 HA THR 27 5.998 5.203 6.490 166 HB THR 27 HB THR 27 8.285 3.907 7.980 167 HG1 THR 27 1HG THR 27 6.700 4.963 9.361 168 HG21 THR 27 1HG2 THR 27 8.072 6.550 6.532 169 HG22 THR 27 2HG2 THR 27 8.927 5.121 5.949 170 HG23 THR 27 3HG2 THR 27 9.489 5.955 7.397 171 H LEU 28 H LEU 28 7.224 5.033 4.576 172 HA LEU 28 HA LEU 28 7.707 2.265 3.685 173 HB2 LEU 28 1HB LEU 28 6.513 4.614 2.264 174 HB3 LEU 28 2HB LEU 28 7.296 3.322 1.357 175 HG LEU 28 HG LEU 28 5.132 2.647 3.303 176 HD11 LEU 28 1HD1 LEU 28 3.410 3.246 1.924 177 HD12 LEU 28 2HD1 LEU 28 4.416 3.239 0.476 178 HD13 LEU 28 3HD1 LEU 28 4.529 4.575 1.621 179 HD21 LEU 28 1HD2 LEU 28 4.950 0.699 2.097 180 HD22 LEU 28 2HD2 LEU 28 6.673 1.038 1.932 181 HD23 LEU 28 3HD2 LEU 28 5.567 1.429 0.615 182 H GLY 29 H GLY 29 9.565 1.830 2.539 183 HA2 GLY 29 1HA GLY 29 11.507 4.053 2.386 184 HA3 GLY 29 2HA GLY 29 11.953 2.405 2.799 185 H GLY 30 H GLY 30 11.748 4.659 0.331 186 HA2 GLY 30 1HA GLY 30 12.942 4.040 -1.725 187 HA3 GLY 30 2HA GLY 30 12.062 2.520 -1.684 188 H GLY 31 H GLY 31 10.743 2.491 -3.387 189 HA2 GLY 31 1HA GLY 31 8.724 3.060 -4.444 190 HA3 GLY 31 2HA GLY 31 8.758 4.614 -3.623 191 H ARG 32 H ARG 32 8.095 4.509 -6.266 192 HA ARG 32 HA ARG 32 10.270 4.819 -8.043 193 HB2 ARG 32 1HB ARG 32 8.048 4.313 -8.871 194 HB3 ARG 32 2HB ARG 32 7.425 5.821 -8.217 195 HG2 ARG 32 1HG ARG 32 8.738 7.098 -9.780 196 HG3 ARG 32 2HG ARG 32 9.513 5.628 -10.376 197 HD2 ARG 32 1HD ARG 32 6.582 6.313 -10.582 198 HD3 ARG 32 2HD ARG 32 7.757 6.361 -11.896 199 HE ARG 32 HE ARG 32 7.660 4.060 -12.043 200 HH11 ARG 32 2HH1 ARG 32 5.951 5.158 -9.215 201 HH12 ARG 32 1HH1 ARG 32 5.212 3.622 -8.905 202 HH21 ARG 32 2HH2 ARG 32 6.693 2.033 -11.645 203 HH22 ARG 32 1HH2 ARG 32 5.636 1.845 -10.288 204 H ASP 33 H ASP 33 11.793 6.313 -7.726 205 HA ASP 33 HA ASP 33 10.934 9.054 -7.064 206 HB2 ASP 33 1HB ASP 33 12.493 7.634 -5.474 207 HB3 ASP 33 2HB ASP 33 13.744 8.142 -6.606 208 H VAL 34 H VAL 34 12.123 10.796 -8.037 209 HA VAL 34 HA VAL 34 12.533 10.473 -10.800 210 HB VAL 34 HB VAL 34 11.894 12.620 -9.755 211 HG11 VAL 34 1HG1 VAL 34 14.746 12.607 -8.778 212 HG12 VAL 34 2HG1 VAL 34 13.688 14.020 -8.758 213 HG13 VAL 34 3HG1 VAL 34 13.283 12.599 -7.794 214 HG21 VAL 34 1HG2 VAL 34 13.164 12.308 -12.017 215 HG22 VAL 34 2HG2 VAL 34 12.909 13.925 -11.362 216 HG23 VAL 34 3HG2 VAL 34 14.473 13.132 -11.170 217 H ALA 35 H ALA 35 14.653 10.109 -8.099 218 HA ALA 35 HA ALA 35 17.047 10.222 -9.762 219 HB1 ALA 35 1HB ALA 35 17.449 11.262 -7.727 220 HB2 ALA 35 2HB ALA 35 16.564 10.041 -6.813 221 HB3 ALA 35 3HB ALA 35 18.146 9.659 -7.493 222 H GLY 36 H GLY 36 14.978 7.908 -8.156 223 HA2 GLY 36 1HA GLY 36 16.256 5.753 -9.618 224 HA3 GLY 36 2HA GLY 36 16.404 5.648 -7.870 225 H ASP 37 H ASP 37 14.987 3.938 -9.854 226 HA ASP 37 HA ASP 37 12.219 4.242 -8.918 227 HB2 ASP 37 1HB ASP 37 13.194 2.389 -11.093 228 HB3 ASP 37 2HB ASP 37 11.540 2.903 -10.772 229 H THR 38 H THR 38 11.740 3.114 -7.161 230 HA THR 38 HA THR 38 12.698 0.343 -6.964 231 HB THR 38 HB THR 38 12.915 0.677 -4.473 232 HG1 THR 38 1HG THR 38 13.113 2.810 -3.742 233 HG21 THR 38 1HG2 THR 38 14.929 0.490 -5.704 234 HG22 THR 38 2HG2 THR 38 15.128 1.909 -4.675 235 HG23 THR 38 3HG2 THR 38 14.749 2.105 -6.386 236 HA PRO 39 HA PRO 39 8.477 -0.585 -6.131 237 HB2 PRO 39 1HB PRO 39 8.794 -2.959 -4.853 238 HB3 PRO 39 2HB PRO 39 9.020 -2.769 -6.595 239 HG2 PRO 39 1HG PRO 39 11.073 -2.859 -4.419 240 HG3 PRO 39 2HG PRO 39 11.095 -3.639 -6.011 241 HD2 PRO 39 1HD PRO 39 12.451 -1.354 -5.489 242 HD3 PRO 39 2HD PRO 39 11.761 -1.712 -7.085 243 H LEU 40 H LEU 40 7.328 0.481 -4.650 244 HA LEU 40 HA LEU 40 8.141 1.275 -2.138 245 HB2 LEU 40 1HB LEU 40 5.506 0.930 -3.458 246 HB3 LEU 40 2HB LEU 40 5.519 1.176 -1.713 247 HG LEU 40 HG LEU 40 6.923 3.071 -3.573 248 HD11 LEU 40 1HD1 LEU 40 4.276 2.593 -3.848 249 HD12 LEU 40 2HD1 LEU 40 5.039 4.155 -4.142 250 HD13 LEU 40 3HD1 LEU 40 4.259 3.832 -2.593 251 HD21 LEU 40 1HD2 LEU 40 7.210 4.363 -1.757 252 HD22 LEU 40 2HD2 LEU 40 6.968 2.857 -0.873 253 HD23 LEU 40 3HD2 LEU 40 5.621 3.973 -1.099 254 H ALA 41 H ALA 41 8.355 0.328 -0.211 255 HA ALA 41 HA ALA 41 6.853 -2.070 0.443 256 HB1 ALA 41 1HB ALA 41 8.803 -3.402 0.990 257 HB2 ALA 41 2HB ALA 41 8.849 -2.929 -0.709 258 HB3 ALA 41 3HB ALA 41 9.869 -2.098 0.466 259 H VAL 42 H VAL 42 6.644 -2.425 2.642 260 HA VAL 42 HA VAL 42 6.719 -0.251 4.351 261 HB VAL 42 HB VAL 42 6.783 -3.189 5.044 262 HG11 VAL 42 1HG1 VAL 42 6.854 -0.797 6.733 263 HG12 VAL 42 2HG1 VAL 42 5.584 -1.949 7.152 264 HG13 VAL 42 3HG1 VAL 42 7.270 -2.468 7.112 265 HG21 VAL 42 1HG2 VAL 42 4.558 -3.221 4.758 266 HG22 VAL 42 2HG2 VAL 42 4.344 -1.627 5.482 267 HG23 VAL 42 3HG2 VAL 42 4.819 -1.770 3.789 268 H ARG 43 H ARG 43 8.234 0.710 5.555 269 HA ARG 43 HA ARG 43 10.921 -0.467 5.570 270 HB2 ARG 43 1HB ARG 43 10.596 1.841 4.657 271 HB3 ARG 43 2HB ARG 43 10.103 2.358 6.264 272 HG2 ARG 43 1HG ARG 43 12.725 0.991 5.963 273 HG3 ARG 43 2HG ARG 43 12.572 2.662 5.418 274 HD2 ARG 43 1HD ARG 43 11.970 3.413 7.574 275 HD3 ARG 43 2HD ARG 43 11.692 1.770 8.149 276 HE ARG 43 HE ARG 43 14.291 1.690 7.535 277 HH11 ARG 43 2HH1 ARG 43 12.421 4.012 9.332 278 HH12 ARG 43 1HH1 ARG 43 13.738 4.475 10.357 279 HH21 ARG 43 2HH2 ARG 43 16.034 2.292 8.878 280 HH22 ARG 43 1HH2 ARG 43 15.794 3.497 10.098 281 H GLY 44 H GLY 44 9.145 1.663 7.816 282 HA2 GLY 44 1HA GLY 44 10.089 -0.074 10.013 283 HA3 GLY 44 2HA GLY 44 9.965 1.673 10.151 284 H LEU 45 H LEU 45 8.743 -0.266 11.871 285 HA LEU 45 HA LEU 45 5.909 0.356 11.362 286 HB2 LEU 45 1HB LEU 45 7.215 -2.175 12.217 287 HB3 LEU 45 2HB LEU 45 5.630 -1.790 12.884 288 HG LEU 45 HG LEU 45 6.270 -2.054 9.946 289 HD11 LEU 45 1HD1 LEU 45 6.399 -4.217 10.889 290 HD12 LEU 45 2HD1 LEU 45 4.794 -4.087 10.172 291 HD13 LEU 45 3HD1 LEU 45 4.994 -3.933 11.917 292 HD21 LEU 45 1HD2 LEU 45 3.738 -2.112 9.812 293 HD22 LEU 45 2HD2 LEU 45 4.473 -0.545 10.153 294 HD23 LEU 45 3HD2 LEU 45 3.736 -1.476 11.458 295 H LEU 46 H LEU 46 5.551 2.032 12.699 296 HA LEU 46 HA LEU 46 6.802 2.567 15.118 297 HB2 LEU 46 1HB LEU 46 5.129 3.946 13.622 298 HB3 LEU 46 2HB LEU 46 3.940 3.311 14.757 299 HG LEU 46 HG LEU 46 6.373 4.776 15.722 300 HD11 LEU 46 1HD1 LEU 46 5.333 6.849 15.537 301 HD12 LEU 46 2HD1 LEU 46 3.752 6.137 15.214 302 HD13 LEU 46 3HD1 LEU 46 5.011 6.084 13.981 303 HD21 LEU 46 1HD2 LEU 46 4.972 5.220 17.648 304 HD22 LEU 46 2HD2 LEU 46 5.027 3.486 17.328 305 HD23 LEU 46 3HD2 LEU 46 3.605 4.423 16.867 306 H LYS 47 H LYS 47 6.902 1.241 16.806 307 HA LYS 47 HA LYS 47 5.229 -0.869 17.409 308 HB2 LYS 47 1HB LYS 47 7.413 -0.585 18.452 309 HB3 LYS 47 2HB LYS 47 6.844 0.841 19.310 310 HG2 LYS 47 1HG LYS 47 6.910 -1.058 20.797 311 HG3 LYS 47 2HG LYS 47 5.239 -0.553 20.537 312 HD2 LYS 47 1HD LYS 47 5.243 -2.916 20.409 313 HD3 LYS 47 2HD LYS 47 5.114 -2.336 18.748 314 HE2 LYS 47 1HE LYS 47 6.737 -3.932 18.501 315 HE3 LYS 47 2HE LYS 47 7.735 -2.515 18.827 316 HZ1 LYS 47 1HZ LYS 47 7.754 -3.199 21.191 317 HZ2 LYS 47 2HZ LYS 47 8.505 -4.314 20.165 318 HZ3 LYS 47 3HZ LYS 47 6.953 -4.626 20.761 319 H ASP 48 H ASP 48 3.751 -1.127 19.264 320 HA ASP 48 HA ASP 48 1.769 -0.642 20.273 321 HB2 ASP 48 1HB ASP 48 3.492 0.893 21.477 322 HB3 ASP 48 2HB ASP 48 2.693 2.196 20.601 323 H GLY 49 H GLY 49 2.114 -0.109 17.354 324 HA2 GLY 49 1HA GLY 49 -0.037 1.890 17.023 325 HA3 GLY 49 2HA GLY 49 1.189 1.553 15.810 326 HA PRO 50 HA PRO 50 -2.757 -0.954 15.098 327 HB2 PRO 50 1HB PRO 50 -3.520 0.264 12.795 328 HB3 PRO 50 2HB PRO 50 -4.045 0.812 14.391 329 HG2 PRO 50 1HG PRO 50 -1.859 1.879 12.646 330 HG3 PRO 50 2HG PRO 50 -3.069 2.765 13.592 331 HD2 PRO 50 1HD PRO 50 -0.522 2.419 14.444 332 HD3 PRO 50 2HD PRO 50 -1.898 2.513 15.562 333 H ALA 51 H ALA 51 -0.411 0.341 12.761 334 HA ALA 51 HA ALA 51 -0.630 -1.785 10.910 335 HB1 ALA 51 1HB ALA 51 0.323 0.479 10.434 336 HB2 ALA 51 2HB ALA 51 1.769 -0.011 11.317 337 HB3 ALA 51 3HB ALA 51 1.299 -0.869 9.850 338 H GLN 52 H GLN 52 1.453 -1.232 13.700 339 HA GLN 52 HA GLN 52 3.044 -3.580 13.216 340 HB2 GLN 52 1HB GLN 52 4.204 -1.874 14.332 341 HB3 GLN 52 2HB GLN 52 2.876 -1.573 15.444 342 HG2 GLN 52 1HG GLN 52 4.358 -4.174 15.460 343 HG3 GLN 52 2HG GLN 52 4.963 -2.763 16.326 344 HE21 GLN 52 1HE2 GLN 52 3.231 -5.507 16.659 345 HE22 GLN 52 2HE2 GLN 52 2.261 -5.087 18.026 346 H ARG 53 H ARG 53 0.238 -2.740 15.128 347 HA ARG 53 HA ARG 53 0.247 -5.074 16.757 348 HB2 ARG 53 1HB ARG 53 -1.725 -2.912 16.144 349 HB3 ARG 53 2HB ARG 53 -2.291 -4.377 16.936 350 HG2 ARG 53 1HG ARG 53 -0.812 -4.025 18.786 351 HG3 ARG 53 2HG ARG 53 -0.040 -2.667 17.965 352 HD2 ARG 53 1HD ARG 53 -1.547 -1.745 19.548 353 HD3 ARG 53 2HD ARG 53 -2.282 -1.532 17.959 354 HE ARG 53 HE ARG 53 -3.120 -3.931 19.293 355 HH11 ARG 53 2HH1 ARG 53 -3.688 -0.515 18.940 356 HH12 ARG 53 1HH1 ARG 53 -5.344 -0.605 19.440 357 HH21 ARG 53 2HH2 ARG 53 -5.300 -4.064 19.953 358 HH22 ARG 53 1HH2 ARG 53 -6.260 -2.625 20.017 359 H CYS 54 H CYS 54 -1.598 -4.149 13.857 360 HA CYS 54 HA CYS 54 -3.107 -6.470 13.593 361 HB2 CYS 54 1HB CYS 54 -3.418 -5.837 11.269 362 HB3 CYS 54 2HB CYS 54 -3.470 -4.399 12.282 363 HG CYS 54 HG CYS 54 -1.483 -5.100 9.743 364 H GLY 55 H GLY 55 0.185 -5.767 12.550 365 HA2 GLY 55 1HA GLY 55 1.899 -7.272 12.130 366 HA3 GLY 55 2HA GLY 55 0.762 -8.588 12.379 367 H ARG 56 H ARG 56 -1.169 -7.834 10.460 368 HA ARG 56 HA ARG 56 -0.565 -9.186 8.247 369 HB2 ARG 56 1HB ARG 56 -2.135 -6.628 8.476 370 HB3 ARG 56 2HB ARG 56 -2.015 -7.503 6.956 371 HG2 ARG 56 1HG ARG 56 -3.201 -9.332 7.773 372 HG3 ARG 56 2HG ARG 56 -2.937 -8.868 9.455 373 HD2 ARG 56 1HD ARG 56 -4.296 -6.761 8.849 374 HD3 ARG 56 2HD ARG 56 -4.816 -7.686 7.441 375 HE ARG 56 HE ARG 56 -5.729 -8.000 10.113 376 HH11 ARG 56 2HH1 ARG 56 -5.016 -9.767 7.200 377 HH12 ARG 56 1HH1 ARG 56 -6.133 -11.045 7.547 378 HH21 ARG 56 2HH2 ARG 56 -7.203 -9.677 10.581 379 HH22 ARG 56 1HH2 ARG 56 -7.377 -10.992 9.470 380 H LEU 57 H LEU 57 0.607 -5.969 8.980 381 HA LEU 57 HA LEU 57 1.995 -5.833 6.405 382 HB2 LEU 57 1HB LEU 57 1.543 -3.800 8.578 383 HB3 LEU 57 2HB LEU 57 2.578 -3.511 7.181 384 HG LEU 57 HG LEU 57 -0.359 -4.160 6.982 385 HD11 LEU 57 1HD1 LEU 57 1.034 -1.634 7.551 386 HD12 LEU 57 2HD1 LEU 57 -0.634 -2.112 7.868 387 HD13 LEU 57 3HD1 LEU 57 -0.164 -1.567 6.258 388 HD21 LEU 57 1HD2 LEU 57 1.822 -3.615 5.070 389 HD22 LEU 57 2HD2 LEU 57 0.284 -2.815 4.746 390 HD23 LEU 57 3HD2 LEU 57 0.353 -4.573 4.879 391 H GLU 58 H GLU 58 4.113 -6.198 6.215 392 HA GLU 58 HA GLU 58 5.781 -6.147 8.634 393 HB2 GLU 58 1HB GLU 58 5.414 -8.381 6.682 394 HB3 GLU 58 2HB GLU 58 6.993 -8.150 7.418 395 HG2 GLU 58 1HG GLU 58 5.881 -8.253 9.650 396 HG3 GLU 58 2HG GLU 58 4.390 -8.694 8.820 397 H VAL 59 H VAL 59 8.083 -5.925 8.198 398 HA VAL 59 HA VAL 59 8.610 -3.925 6.267 399 HB VAL 59 HB VAL 59 10.521 -5.598 7.901 400 HG11 VAL 59 1HG1 VAL 59 11.526 -3.031 7.048 401 HG12 VAL 59 2HG1 VAL 59 12.245 -4.633 6.877 402 HG13 VAL 59 3HG1 VAL 59 11.107 -4.043 5.666 403 HG21 VAL 59 1HG2 VAL 59 9.672 -4.352 9.558 404 HG22 VAL 59 2HG2 VAL 59 10.608 -3.033 8.853 405 HG23 VAL 59 3HG2 VAL 59 8.904 -3.224 8.441 406 H GLY 60 H GLY 60 8.970 -4.147 4.164 407 HA2 GLY 60 1HA GLY 60 10.403 -5.082 2.429 408 HA3 GLY 60 2HA GLY 60 10.230 -6.643 3.217 409 H ASP 61 H ASP 61 7.261 -5.607 3.546 410 HA ASP 61 HA ASP 61 6.110 -7.240 1.626 411 HB2 ASP 61 1HB ASP 61 4.072 -6.498 2.403 412 HB3 ASP 61 2HB ASP 61 5.110 -6.012 3.740 413 H LEU 62 H LEU 62 4.900 -6.756 -0.286 414 HA LEU 62 HA LEU 62 6.034 -4.492 -1.777 415 HB2 LEU 62 1HB LEU 62 4.666 -6.942 -2.870 416 HB3 LEU 62 2HB LEU 62 5.540 -5.717 -3.787 417 HG LEU 62 HG LEU 62 6.753 -7.677 -1.839 418 HD11 LEU 62 1HD1 LEU 62 6.133 -7.821 -4.658 419 HD12 LEU 62 2HD1 LEU 62 6.710 -9.077 -3.564 420 HD13 LEU 62 3HD1 LEU 62 7.862 -8.005 -4.360 421 HD21 LEU 62 1HD2 LEU 62 7.868 -5.445 -1.941 422 HD22 LEU 62 2HD2 LEU 62 8.139 -5.719 -3.662 423 HD23 LEU 62 3HD2 LEU 62 8.879 -6.790 -2.471 424 H VAL 63 H VAL 63 4.763 -2.796 -2.070 425 HA VAL 63 HA VAL 63 1.881 -3.060 -1.732 426 HB VAL 63 HB VAL 63 3.321 -0.486 -2.309 427 HG11 VAL 63 1HG1 VAL 63 1.408 0.146 -0.572 428 HG12 VAL 63 2HG1 VAL 63 1.108 0.035 -2.307 429 HG13 VAL 63 3HG1 VAL 63 0.678 -1.309 -1.249 430 HG21 VAL 63 1HG2 VAL 63 4.567 -0.886 -0.480 431 HG22 VAL 63 2HG2 VAL 63 3.090 -0.481 0.395 432 HG23 VAL 63 3HG2 VAL 63 3.501 -2.169 0.092 433 H LEU 64 H LEU 64 0.537 -3.260 -3.390 434 HA LEU 64 HA LEU 64 1.515 -2.663 -6.087 435 HB2 LEU 64 1HB LEU 64 -0.875 -4.248 -5.160 436 HB3 LEU 64 2HB LEU 64 -0.420 -3.996 -6.844 437 HG LEU 64 HG LEU 64 0.177 -6.237 -5.855 438 HD11 LEU 64 1HD1 LEU 64 2.750 -5.723 -6.633 439 HD12 LEU 64 2HD1 LEU 64 1.851 -4.414 -7.400 440 HD13 LEU 64 3HD1 LEU 64 1.406 -6.092 -7.714 441 HD21 LEU 64 1HD2 LEU 64 2.367 -4.702 -4.475 442 HD22 LEU 64 2HD2 LEU 64 2.015 -6.427 -4.368 443 HD23 LEU 64 3HD2 LEU 64 0.906 -5.254 -3.655 444 H HIS 65 H HIS 65 -1.148 -1.968 -3.877 445 HA HIS 65 HA HIS 65 -1.705 0.469 -5.378 446 HB2 HIS 65 1HB HIS 65 -3.901 -1.475 -4.641 447 HB3 HIS 65 2HB HIS 65 -4.097 0.065 -5.472 448 HD1 HIS 65 1HD HIS 65 -2.048 -0.113 -7.671 449 HD2 HIS 65 2HD HIS 65 -4.422 -3.329 -6.539 450 HE1 HIS 65 1HE HIS 65 -2.099 -1.646 -9.664 451 HE2 HIS 65 2HE HIS 65 -3.610 -3.543 -8.985 452 H ILE 66 H ILE 66 -3.633 1.640 -4.117 453 HA ILE 66 HA ILE 66 -3.540 1.231 -1.258 454 HB ILE 66 HB ILE 66 -2.382 3.741 -2.474 455 HG12 ILE 66 1HG1 ILE 66 -1.164 1.649 -0.657 456 HG13 ILE 66 2HG1 ILE 66 -0.824 1.837 -2.373 457 HG21 ILE 66 1HG2 ILE 66 -2.159 3.579 0.383 458 HG22 ILE 66 2HG2 ILE 66 -2.872 4.847 -0.612 459 HG23 ILE 66 3HG2 ILE 66 -3.850 3.470 -0.103 460 HD11 ILE 66 1HD1 ILE 66 0.419 3.742 -2.052 461 HD12 ILE 66 2HD1 ILE 66 -0.368 4.126 -0.520 462 HD13 ILE 66 3HD1 ILE 66 0.804 2.810 -0.606 463 H ASN 67 H ASN 67 -5.554 1.521 -0.594 464 HA ASN 67 HA ASN 67 -7.739 2.173 -0.540 465 HB2 ASN 67 1HB ASN 67 -6.240 4.741 -0.976 466 HB3 ASN 67 2HB ASN 67 -7.996 4.739 -0.849 467 HD21 ASN 67 1HD2 ASN 67 -5.130 4.913 0.830 468 HD22 ASN 67 2HD2 ASN 67 -5.733 4.620 2.423 469 H GLY 68 H GLY 68 -7.138 0.978 -2.934 470 HA2 GLY 68 1HA GLY 68 -8.087 0.667 -5.005 471 HA3 GLY 68 2HA GLY 68 -9.218 1.950 -4.601 472 H GLU 69 H GLU 69 -5.855 2.676 -4.427 473 HA GLU 69 HA GLU 69 -6.096 4.223 -6.922 474 HB2 GLU 69 1HB GLU 69 -5.841 5.501 -4.755 475 HB3 GLU 69 2HB GLU 69 -4.231 4.806 -4.622 476 HG2 GLU 69 1HG GLU 69 -4.095 7.027 -5.535 477 HG3 GLU 69 2HG GLU 69 -3.619 5.849 -6.756 478 H SER 70 H SER 70 -4.801 3.697 -8.550 479 HA SER 70 HA SER 70 -2.899 1.578 -8.281 480 HB2 SER 70 1HB SER 70 -2.755 1.602 -10.609 481 HB3 SER 70 2HB SER 70 -4.383 2.221 -10.330 482 HG SER 70 HG SER 70 -3.649 4.284 -10.711 483 H THR 71 H THR 71 -0.942 1.843 -7.456 484 HA THR 71 HA THR 71 0.340 4.442 -7.456 485 HB THR 71 HB THR 71 0.529 3.191 -5.419 486 HG1 THR 71 1HG THR 71 2.687 3.434 -5.163 487 HG21 THR 71 1HG2 THR 71 0.620 0.966 -5.416 488 HG22 THR 71 2HG2 THR 71 2.233 1.031 -6.125 489 HG23 THR 71 3HG2 THR 71 0.813 0.964 -7.168 490 H GLN 72 H GLN 72 0.025 2.342 -9.815 491 HA GLN 72 HA GLN 72 2.524 1.541 -10.685 492 HB2 GLN 72 1HB GLN 72 1.584 1.454 -12.918 493 HB3 GLN 72 2HB GLN 72 0.394 0.891 -11.753 494 HG2 GLN 72 1HG GLN 72 -0.658 3.133 -11.818 495 HG3 GLN 72 2HG GLN 72 0.476 3.584 -13.090 496 HE21 GLN 72 1HE2 GLN 72 -2.251 3.694 -13.463 497 HE22 GLN 72 2HE2 GLN 72 -2.719 2.493 -14.613 498 H GLY 73 H GLY 73 0.903 4.658 -11.153 499 HA2 GLY 73 1HA GLY 73 3.465 5.726 -12.171 500 HA3 GLY 73 2HA GLY 73 1.892 6.324 -12.678 501 H LEU 74 H LEU 74 2.700 5.515 -9.362 502 HA LEU 74 HA LEU 74 2.578 8.385 -8.702 503 HB2 LEU 74 1HB LEU 74 1.549 6.024 -7.139 504 HB3 LEU 74 2HB LEU 74 1.634 7.668 -6.511 505 HG LEU 74 HG LEU 74 -0.122 6.633 -8.730 506 HD11 LEU 74 1HD1 LEU 74 -1.226 8.174 -6.493 507 HD12 LEU 74 2HD1 LEU 74 -0.533 6.615 -6.047 508 HD13 LEU 74 3HD1 LEU 74 -1.812 6.696 -7.259 509 HD21 LEU 74 1HD2 LEU 74 0.813 9.361 -8.129 510 HD22 LEU 74 2HD2 LEU 74 -0.927 9.181 -8.361 511 HD23 LEU 74 3HD2 LEU 74 0.189 8.675 -9.630 512 H THR 75 H THR 75 4.156 9.215 -7.454 513 HA THR 75 HA THR 75 6.455 7.556 -6.899 514 HB THR 75 HB THR 75 7.433 9.725 -6.019 515 HG1 THR 75 1HG THR 75 5.679 10.962 -5.545 516 HG21 THR 75 1HG2 THR 75 8.203 10.102 -8.091 517 HG22 THR 75 2HG2 THR 75 6.593 10.457 -8.717 518 HG23 THR 75 3HG2 THR 75 7.141 8.786 -8.590 519 H HIS 76 H HIS 76 7.598 8.293 -4.681 520 HA HIS 76 HA HIS 76 6.333 6.945 -2.633 521 HB2 HIS 76 1HB HIS 76 8.689 7.373 -2.502 522 HB3 HIS 76 2HB HIS 76 8.431 9.115 -2.513 523 HD1 HIS 76 1HD HIS 76 8.745 10.104 -0.282 524 HD2 HIS 76 2HD HIS 76 7.247 6.236 -0.045 525 HE1 HIS 76 1HE HIS 76 8.517 9.621 2.175 526 HE2 HIS 76 2HE HIS 76 7.690 7.245 2.295 527 H ALA 77 H ALA 77 6.587 10.486 -2.986 528 HA ALA 77 HA ALA 77 5.024 11.210 -0.813 529 HB1 ALA 77 1HB ALA 77 4.706 13.350 -1.927 530 HB2 ALA 77 2HB ALA 77 6.370 12.793 -2.110 531 HB3 ALA 77 3HB ALA 77 5.239 12.648 -3.455 532 H GLN 78 H GLN 78 3.957 10.932 -4.209 533 HA GLN 78 HA GLN 78 1.303 11.457 -3.964 534 HB2 GLN 78 1HB GLN 78 2.546 9.258 -5.625 535 HB3 GLN 78 2HB GLN 78 0.924 9.898 -5.854 536 HG2 GLN 78 1HG GLN 78 3.481 11.462 -6.126 537 HG3 GLN 78 2HG GLN 78 2.510 10.830 -7.455 538 HE21 GLN 78 1HE2 GLN 78 1.018 12.112 -8.286 539 HE22 GLN 78 2HE2 GLN 78 0.401 13.551 -7.556 540 H ALA 79 H ALA 79 2.573 8.123 -3.836 541 HA ALA 79 HA ALA 79 0.303 6.832 -3.002 542 HB1 ALA 79 1HB ALA 79 3.160 6.281 -2.933 543 HB2 ALA 79 2HB ALA 79 2.272 5.486 -1.632 544 HB3 ALA 79 3HB ALA 79 1.808 5.214 -3.312 545 H VAL 80 H VAL 80 2.746 8.401 -0.957 546 HA VAL 80 HA VAL 80 1.538 7.733 1.512 547 HB VAL 80 HB VAL 80 3.317 10.105 0.939 548 HG11 VAL 80 1HG1 VAL 80 2.150 8.958 3.358 549 HG12 VAL 80 2HG1 VAL 80 3.896 9.190 3.452 550 HG13 VAL 80 3HG1 VAL 80 2.843 10.555 3.080 551 HG21 VAL 80 1HG2 VAL 80 5.151 8.783 0.952 552 HG22 VAL 80 2HG2 VAL 80 4.448 7.632 2.089 553 HG23 VAL 80 3HG2 VAL 80 4.008 7.566 0.383 554 H GLU 81 H GLU 81 0.956 10.246 -0.812 555 HA GLU 81 HA GLU 81 -0.485 11.984 0.941 556 HB2 GLU 81 1HB GLU 81 0.481 12.962 -1.005 557 HB3 GLU 81 2HB GLU 81 -0.293 11.790 -2.062 558 HG2 GLU 81 1HG GLU 81 -2.030 13.531 -0.402 559 HG3 GLU 81 2HG GLU 81 -1.209 14.247 -1.788 560 H ARG 82 H ARG 82 -1.249 9.130 -0.824 561 HA ARG 82 HA ARG 82 -4.082 9.574 -0.949 562 HB2 ARG 82 1HB ARG 82 -2.533 6.993 -1.241 563 HB3 ARG 82 2HB ARG 82 -4.207 7.259 -1.711 564 HG2 ARG 82 1HG ARG 82 -1.966 8.865 -2.888 565 HG3 ARG 82 2HG ARG 82 -2.442 7.298 -3.545 566 HD2 ARG 82 1HD ARG 82 -4.078 9.813 -3.349 567 HD3 ARG 82 2HD ARG 82 -3.607 8.929 -4.801 568 HE ARG 82 HE ARG 82 -5.085 7.126 -3.430 569 HH11 ARG 82 2HH1 ARG 82 -5.640 10.416 -4.424 570 HH12 ARG 82 1HH1 ARG 82 -7.354 10.219 -4.576 571 HH21 ARG 82 2HH2 ARG 82 -7.341 6.853 -3.627 572 HH22 ARG 82 1HH2 ARG 82 -8.321 8.192 -4.122 573 H ILE 83 H ILE 83 -1.853 8.042 1.270 574 HA ILE 83 HA ILE 83 -3.832 6.680 2.807 575 HB ILE 83 HB ILE 83 -1.105 7.522 3.777 576 HG12 ILE 83 1HG1 ILE 83 -1.812 4.990 2.280 577 HG13 ILE 83 2HG1 ILE 83 -0.996 6.371 1.556 578 HG21 ILE 83 1HG2 ILE 83 -2.228 4.922 4.532 579 HG22 ILE 83 2HG2 ILE 83 -1.430 6.146 5.518 580 HG23 ILE 83 3HG2 ILE 83 -3.139 6.314 5.118 581 HD11 ILE 83 1HD1 ILE 83 0.883 6.078 3.047 582 HD12 ILE 83 2HD1 ILE 83 0.057 4.748 3.859 583 HD13 ILE 83 3HD1 ILE 83 0.552 4.581 2.175 584 H ARG 84 H ARG 84 -2.027 9.709 3.273 585 HA ARG 84 HA ARG 84 -3.121 10.426 5.738 586 HB2 ARG 84 1HB ARG 84 -2.126 12.490 5.434 587 HB3 ARG 84 2HB ARG 84 -1.186 11.487 4.337 588 HG2 ARG 84 1HG ARG 84 -2.451 12.289 2.449 589 HG3 ARG 84 2HG ARG 84 -3.516 13.206 3.515 590 HD2 ARG 84 1HD ARG 84 -1.736 14.559 2.390 591 HD3 ARG 84 2HD ARG 84 -1.749 14.670 4.150 592 HE ARG 84 HE ARG 84 0.024 12.640 3.431 593 HH11 ARG 84 2HH1 ARG 84 -0.287 16.094 3.120 594 HH12 ARG 84 1HH1 ARG 84 1.422 16.376 3.092 595 HH21 ARG 84 2HH2 ARG 84 2.276 12.999 3.396 596 HH22 ARG 84 1HH2 ARG 84 2.879 14.615 3.248 597 H ALA 85 H ALA 85 -4.354 10.812 2.478 598 HA ALA 85 HA ALA 85 -6.625 12.382 3.413 599 HB1 ALA 85 1HB ALA 85 -5.426 11.761 0.783 600 HB2 ALA 85 2HB ALA 85 -7.171 12.014 0.821 601 HB3 ALA 85 3HB ALA 85 -6.085 13.275 1.404 602 H GLY 86 H GLY 86 -5.819 9.156 3.158 603 HA2 GLY 86 1HA GLY 86 -8.029 7.880 2.094 604 HA3 GLY 86 2HA GLY 86 -7.058 7.238 3.411 605 H GLY 87 H GLY 87 -7.693 9.421 5.234 606 HA2 GLY 87 1HA GLY 87 -9.642 10.317 6.325 607 HA3 GLY 87 2HA GLY 87 -10.579 8.996 5.643 608 HA PRO 88 HA PRO 88 -9.764 7.888 10.032 609 HB2 PRO 88 1HB PRO 88 -12.216 6.795 10.434 610 HB3 PRO 88 2HB PRO 88 -11.896 8.524 10.606 611 HG2 PRO 88 1HG PRO 88 -13.100 7.040 8.302 612 HG3 PRO 88 2HG PRO 88 -13.598 8.582 9.022 613 HD2 PRO 88 1HD PRO 88 -12.144 8.441 6.741 614 HD3 PRO 88 2HD PRO 88 -11.973 9.773 7.902 615 H GLN 89 H GLN 89 -10.741 6.163 7.200 616 HA GLN 89 HA GLN 89 -9.968 3.617 8.461 617 HB2 GLN 89 1HB GLN 89 -11.821 4.195 6.153 618 HB3 GLN 89 2HB GLN 89 -11.219 2.581 6.508 619 HG2 GLN 89 1HG GLN 89 -13.229 2.538 7.587 620 HG3 GLN 89 2HG GLN 89 -12.167 3.068 8.890 621 HE21 GLN 89 1HE2 GLN 89 -13.282 4.429 10.095 622 HE22 GLN 89 2HE2 GLN 89 -14.213 5.765 9.519 623 H LEU 90 H LEU 90 -8.151 2.683 7.796 624 HA LEU 90 HA LEU 90 -6.786 3.791 5.458 625 HB2 LEU 90 1HB LEU 90 -5.335 3.798 7.262 626 HB3 LEU 90 2HB LEU 90 -5.916 2.247 7.864 627 HG LEU 90 HG LEU 90 -4.456 2.308 5.268 628 HD11 LEU 90 1HD1 LEU 90 -3.348 3.513 7.504 629 HD12 LEU 90 2HD1 LEU 90 -2.482 2.909 6.092 630 HD13 LEU 90 3HD1 LEU 90 -2.681 1.881 7.511 631 HD21 LEU 90 1HD2 LEU 90 -5.572 0.321 6.689 632 HD22 LEU 90 2HD2 LEU 90 -3.951 0.312 7.383 633 HD23 LEU 90 3HD2 LEU 90 -4.168 0.100 5.645 634 H HIS 91 H HIS 91 -6.322 2.634 3.662 635 HA HIS 91 HA HIS 91 -6.869 -0.244 3.650 636 HB2 HIS 91 1HB HIS 91 -8.836 1.265 2.796 637 HB3 HIS 91 2HB HIS 91 -7.841 1.414 1.351 638 HD1 HIS 91 1HD HIS 91 -7.951 -0.464 -0.296 639 HD2 HIS 91 2HD HIS 91 -9.602 -1.479 3.379 640 HE1 HIS 91 1HE HIS 91 -9.019 -2.715 -0.638 641 HE2 HIS 91 2HE HIS 91 -10.084 -3.270 1.576 642 H LEU 92 H LEU 92 -4.928 -1.045 3.154 643 HA LEU 92 HA LEU 92 -3.524 0.091 0.827 644 HB2 LEU 92 1HB LEU 92 -2.199 -1.195 3.204 645 HB3 LEU 92 2HB LEU 92 -1.415 -0.378 1.853 646 HG LEU 92 HG LEU 92 -3.151 0.971 3.919 647 HD11 LEU 92 1HD1 LEU 92 -1.106 1.865 4.833 648 HD12 LEU 92 2HD1 LEU 92 -0.153 1.013 3.619 649 HD13 LEU 92 3HD1 LEU 92 -1.035 0.103 4.844 650 HD21 LEU 92 1HD2 LEU 92 -2.219 1.783 1.341 651 HD22 LEU 92 2HD2 LEU 92 -1.441 2.765 2.582 652 HD23 LEU 92 3HD2 LEU 92 -3.201 2.677 2.502 653 H VAL 93 H VAL 93 -3.062 -1.293 -0.764 654 HA VAL 93 HA VAL 93 -3.765 -4.098 -0.405 655 HB VAL 93 HB VAL 93 -2.851 -2.849 -2.984 656 HG11 VAL 93 1HG1 VAL 93 -4.745 -5.123 -2.400 657 HG12 VAL 93 2HG1 VAL 93 -4.198 -4.592 -3.992 658 HG13 VAL 93 3HG1 VAL 93 -3.050 -5.301 -2.855 659 HG21 VAL 93 1HG2 VAL 93 -4.560 -1.371 -2.410 660 HG22 VAL 93 2HG2 VAL 93 -5.379 -2.584 -3.394 661 HG23 VAL 93 3HG2 VAL 93 -5.522 -2.631 -1.637 662 H ILE 94 H ILE 94 -2.245 -5.473 0.222 663 HA ILE 94 HA ILE 94 0.485 -5.122 -0.828 664 HB ILE 94 HB ILE 94 -0.261 -6.162 1.908 665 HG12 ILE 94 1HG1 ILE 94 -0.536 -3.764 1.828 666 HG13 ILE 94 2HG1 ILE 94 0.948 -4.126 2.703 667 HG21 ILE 94 1HG2 ILE 94 1.732 -7.220 0.829 668 HG22 ILE 94 2HG2 ILE 94 2.482 -5.626 0.788 669 HG23 ILE 94 3HG2 ILE 94 2.077 -6.370 2.335 670 HD11 ILE 94 1HD1 ILE 94 1.837 -3.842 0.136 671 HD12 ILE 94 2HD1 ILE 94 0.542 -2.648 0.230 672 HD13 ILE 94 3HD1 ILE 94 1.876 -2.596 1.383 673 H ARG 95 H ARG 95 1.627 -6.984 -1.371 674 HA ARG 95 HA ARG 95 0.111 -9.504 -1.308 675 HB2 ARG 95 1HB ARG 95 -0.130 -8.694 -3.546 676 HB3 ARG 95 2HB ARG 95 1.579 -8.293 -3.649 677 HG2 ARG 95 1HG ARG 95 2.090 -10.724 -3.453 678 HG3 ARG 95 2HG ARG 95 0.357 -11.040 -3.555 679 HD2 ARG 95 1HD ARG 95 0.436 -9.672 -5.723 680 HD3 ARG 95 2HD ARG 95 2.184 -9.884 -5.636 681 HE ARG 95 HE ARG 95 0.255 -11.840 -6.412 682 HH11 ARG 95 2HH1 ARG 95 3.360 -11.400 -4.898 683 HH12 ARG 95 1HH1 ARG 95 3.931 -12.983 -5.311 684 HH21 ARG 95 2HH2 ARG 95 0.996 -13.926 -6.962 685 HH22 ARG 95 1HH2 ARG 95 2.586 -14.418 -6.486 686 H ARG 96 H ARG 96 1.223 -10.812 -0.014 687 HA ARG 96 HA ARG 96 3.979 -10.549 0.547 688 HB2 ARG 96 1HB ARG 96 2.047 -11.722 1.882 689 HB3 ARG 96 2HB ARG 96 2.528 -13.135 0.952 690 HG2 ARG 96 1HG ARG 96 4.714 -13.106 1.876 691 HG3 ARG 96 2HG ARG 96 4.449 -11.521 2.607 692 HD2 ARG 96 1HD ARG 96 2.890 -12.411 4.166 693 HD3 ARG 96 2HD ARG 96 2.827 -13.955 3.317 694 HE ARG 96 HE ARG 96 5.427 -13.751 4.024 695 HH11 ARG 96 2HH1 ARG 96 2.443 -13.451 5.792 696 HH12 ARG 96 1HH1 ARG 96 3.117 -14.022 7.282 697 HH21 ARG 96 2HH2 ARG 96 6.326 -14.505 5.980 698 HH22 ARG 96 1HH2 ARG 96 5.326 -14.621 7.388 699 HA PRO 97 HA PRO 97 5.500 -12.522 -3.151 700 HB2 PRO 97 1HB PRO 97 8.128 -12.333 -2.496 701 HB3 PRO 97 2HB PRO 97 7.189 -10.965 -3.103 702 HG2 PRO 97 1HG PRO 97 7.924 -11.656 -0.284 703 HG3 PRO 97 2HG PRO 97 7.945 -10.077 -1.091 704 HD2 PRO 97 1HD PRO 97 5.941 -10.843 0.562 705 HD3 PRO 97 2HD PRO 97 5.675 -9.773 -0.830 706 H LEU 98 H LEU 98 7.747 -14.060 -3.199 707 HA LEU 98 HA LEU 98 6.852 -16.443 -1.790 708 HB2 LEU 98 1HB LEU 98 8.743 -15.900 -4.040 709 HB3 LEU 98 2HB LEU 98 8.822 -17.433 -3.175 710 HG LEU 98 HG LEU 98 7.464 -17.293 -5.365 711 HD11 LEU 98 1HD1 LEU 98 5.575 -18.666 -4.047 712 HD12 LEU 98 2HD1 LEU 98 6.833 -18.630 -2.812 713 HD13 LEU 98 3HD1 LEU 98 7.177 -19.313 -4.402 714 HD21 LEU 98 1HD2 LEU 98 5.396 -16.206 -3.463 715 HD22 LEU 98 2HD2 LEU 98 5.202 -16.549 -5.182 716 HD23 LEU 98 3HD2 LEU 98 6.246 -15.227 -4.658 717 H SER 99 H SER 99 8.469 -17.874 -0.767 718 HA SER 99 HA SER 99 10.986 -16.883 0.081 719 HB2 SER 99 1HB SER 99 10.432 -16.641 2.508 720 HB3 SER 99 2HB SER 99 9.696 -15.400 1.494 721 HG SER 99 HG SER 99 8.253 -17.739 2.037 722 H GLY 100 H GLY 100 12.019 -18.330 1.691 723 HA2 GLY 100 1HA GLY 100 10.725 -20.965 1.881 724 HA3 GLY 100 2HA GLY 100 12.326 -20.846 1.167 725 HA PRO 101 HA PRO 101 12.796 -21.660 5.712 726 HB2 PRO 101 1HB PRO 101 14.624 -23.645 5.410 727 HB3 PRO 101 2HB PRO 101 12.880 -23.932 5.381 728 HG2 PRO 101 1HG PRO 101 14.793 -23.661 3.095 729 HG3 PRO 101 2HG PRO 101 13.472 -24.823 3.316 730 HD2 PRO 101 1HD PRO 101 13.232 -22.625 1.753 731 HD3 PRO 101 2HD PRO 101 11.864 -23.312 2.651 732 H SER 102 H SER 102 14.943 -21.777 6.936 733 HA SER 102 HA SER 102 16.631 -19.643 5.940 734 HB2 SER 102 1HB SER 102 17.543 -19.536 8.139 735 HB3 SER 102 2HB SER 102 15.816 -19.829 8.342 736 HG SER 102 HG SER 102 17.949 -21.670 8.599 737 H SER 103 H SER 103 19.066 -19.904 6.394 738 HA SER 103 HA SER 103 19.960 -22.577 5.542 739 HB2 SER 103 1HB SER 103 19.948 -20.967 3.633 740 HB3 SER 103 2HB SER 103 21.086 -19.957 4.525 741 HG SER 103 HG SER 103 21.472 -22.494 3.378 742 H GLY 104 H GLY 104 20.694 -23.170 7.563 743 HA2 GLY 104 1HA GLY 104 22.136 -21.584 9.351 744 HA3 GLY 104 2HA GLY 104 22.200 -23.339 9.286 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -11.853 8.298 1.677 2 HA2 GLY 1 1HA GLY 1 -13.606 8.758 -0.622 3 HA3 GLY 1 2HA GLY 1 -12.224 7.697 -0.856 4 H SER 2 H SER 2 -14.388 6.448 -1.413 5 HA SER 2 HA SER 2 -15.377 5.111 1.007 6 HB2 SER 2 1HB SER 2 -16.912 6.136 -0.851 7 HB3 SER 2 2HB SER 2 -16.529 4.653 -1.725 8 HG SER 2 HG SER 2 -18.197 5.039 0.388 9 H SER 3 H SER 3 -15.452 2.830 1.126 10 HA SER 3 HA SER 3 -13.243 1.551 -0.268 11 HB2 SER 3 1HB SER 3 -13.535 1.316 2.207 12 HB3 SER 3 2HB SER 3 -15.020 0.414 1.902 13 HG SER 3 HG SER 3 -13.386 -0.839 0.450 14 H GLY 4 H GLY 4 -13.710 0.785 -2.233 15 HA2 GLY 4 1HA GLY 4 -16.301 -0.026 -3.059 16 HA3 GLY 4 2HA GLY 4 -14.805 -0.301 -3.938 17 H SER 5 H SER 5 -17.229 -1.680 -1.963 18 HA SER 5 HA SER 5 -15.814 -3.993 -1.106 19 HB2 SER 5 1HB SER 5 -17.980 -3.065 -0.127 20 HB3 SER 5 2HB SER 5 -18.802 -3.808 -1.499 21 HG SER 5 HG SER 5 -17.220 -5.132 0.452 22 H SER 6 H SER 6 -14.868 -5.225 -2.623 23 HA SER 6 HA SER 6 -16.551 -6.709 -4.430 24 HB2 SER 6 1HB SER 6 -16.219 -4.877 -5.903 25 HB3 SER 6 2HB SER 6 -14.517 -4.733 -5.462 26 HG SER 6 HG SER 6 -14.072 -6.579 -6.592 27 H GLY 7 H GLY 7 -15.811 -8.730 -4.586 28 HA2 GLY 7 1HA GLY 7 -13.519 -9.578 -3.184 29 HA3 GLY 7 2HA GLY 7 -14.450 -10.557 -4.307 30 H GLN 8 H GLN 8 -12.999 -11.491 -5.605 31 HA GLN 8 HA GLN 8 -11.358 -11.755 -7.157 32 HB2 GLN 8 1HB GLN 8 -12.007 -8.843 -7.591 33 HB3 GLN 8 2HB GLN 8 -10.838 -9.710 -8.578 34 HG2 GLN 8 1HG GLN 8 -13.606 -10.778 -8.247 35 HG3 GLN 8 2HG GLN 8 -13.284 -9.473 -9.387 36 HE21 GLN 8 1HE2 GLN 8 -14.122 -11.221 -10.839 37 HE22 GLN 8 2HE2 GLN 8 -12.959 -12.301 -11.522 38 H ALA 9 H ALA 9 -10.531 -11.384 -4.515 39 HA ALA 9 HA ALA 9 -8.126 -9.712 -4.742 40 HB1 ALA 9 1HB ALA 9 -8.707 -10.943 -2.143 41 HB2 ALA 9 2HB ALA 9 -8.277 -9.279 -2.544 42 HB3 ALA 9 3HB ALA 9 -9.943 -9.828 -2.727 43 H SER 10 H SER 10 -8.135 -12.113 -6.168 44 HA SER 10 HA SER 10 -6.997 -14.278 -4.758 45 HB2 SER 10 1HB SER 10 -7.091 -13.504 -7.663 46 HB3 SER 10 2HB SER 10 -6.160 -14.905 -7.134 47 HG SER 10 HG SER 10 -8.779 -14.682 -6.210 48 H GLY 11 H GLY 11 -5.169 -14.095 -3.629 49 HA2 GLY 11 1HA GLY 11 -2.828 -14.066 -3.472 50 HA3 GLY 11 2HA GLY 11 -2.756 -13.255 -5.030 51 H HIS 12 H HIS 12 -4.349 -11.067 -4.632 52 HA HIS 12 HA HIS 12 -2.690 -9.512 -2.806 53 HB2 HIS 12 1HB HIS 12 -4.813 -8.399 -4.628 54 HB3 HIS 12 2HB HIS 12 -3.385 -7.592 -3.986 55 HD1 HIS 12 1HD HIS 12 -4.216 -7.909 -7.067 56 HD2 HIS 12 2HD HIS 12 -1.296 -10.055 -5.035 57 HE1 HIS 12 1HE HIS 12 -2.628 -8.726 -8.838 58 HE2 HIS 12 2HE HIS 12 -0.917 -10.093 -7.594 59 H PHE 13 H PHE 13 -3.378 -8.699 -0.924 60 HA PHE 13 HA PHE 13 -6.252 -8.908 -0.305 61 HB2 PHE 13 1HB PHE 13 -5.609 -9.315 2.044 62 HB3 PHE 13 2HB PHE 13 -4.979 -10.556 0.965 63 HD1 PHE 13 2HD PHE 13 -4.123 -7.688 3.077 64 HD2 PHE 13 1HD PHE 13 -2.622 -10.803 0.594 65 HE1 PHE 13 2HE PHE 13 -1.857 -7.285 3.947 66 HE2 PHE 13 1HE PHE 13 -0.354 -10.405 1.460 67 HZ PHE 13 HZ PHE 13 0.031 -8.644 3.138 68 H SER 14 H SER 14 -6.971 -7.405 1.436 69 HA SER 14 HA SER 14 -5.702 -4.785 1.041 70 HB2 SER 14 1HB SER 14 -7.829 -3.792 1.537 71 HB3 SER 14 2HB SER 14 -8.122 -5.103 0.394 72 HG SER 14 HG SER 14 -8.803 -6.391 2.120 73 H VAL 15 H VAL 15 -5.714 -3.286 2.882 74 HA VAL 15 HA VAL 15 -5.437 -4.690 5.459 75 HB VAL 15 HB VAL 15 -3.760 -2.358 4.523 76 HG11 VAL 15 1HG1 VAL 15 -2.400 -3.321 6.581 77 HG12 VAL 15 2HG1 VAL 15 -3.690 -2.135 6.792 78 HG13 VAL 15 3HG1 VAL 15 -4.008 -3.846 7.082 79 HG21 VAL 15 1HG2 VAL 15 -2.131 -4.576 4.983 80 HG22 VAL 15 2HG2 VAL 15 -3.498 -5.192 4.054 81 HG23 VAL 15 3HG2 VAL 15 -2.534 -3.856 3.424 82 H GLU 16 H GLU 16 -6.633 -3.910 7.069 83 HA GLU 16 HA GLU 16 -7.798 -1.221 6.755 84 HB2 GLU 16 1HB GLU 16 -8.961 -3.551 8.289 85 HB3 GLU 16 2HB GLU 16 -9.723 -1.991 8.013 86 HG2 GLU 16 1HG GLU 16 -9.367 -2.658 5.486 87 HG3 GLU 16 2HG GLU 16 -9.365 -4.285 6.166 88 H LEU 17 H LEU 17 -7.009 0.225 8.120 89 HA LEU 17 HA LEU 17 -6.351 -0.614 10.857 90 HB2 LEU 17 1HB LEU 17 -4.674 1.187 9.116 91 HB3 LEU 17 2HB LEU 17 -4.381 0.856 10.822 92 HG LEU 17 HG LEU 17 -4.252 -1.184 8.601 93 HD11 LEU 17 1HD1 LEU 17 -1.758 -1.039 9.593 94 HD12 LEU 17 2HD1 LEU 17 -2.263 0.639 9.787 95 HD13 LEU 17 3HD1 LEU 17 -2.310 -0.117 8.194 96 HD21 LEU 17 1HD2 LEU 17 -4.011 -1.326 11.565 97 HD22 LEU 17 2HD2 LEU 17 -2.984 -2.368 10.580 98 HD23 LEU 17 3HD2 LEU 17 -4.740 -2.466 10.434 99 H VAL 18 H VAL 18 -6.739 0.897 12.458 100 HA VAL 18 HA VAL 18 -8.371 3.189 11.618 101 HB VAL 18 HB VAL 18 -8.177 1.813 14.300 102 HG11 VAL 18 1HG1 VAL 18 -8.598 4.312 14.344 103 HG12 VAL 18 2HG1 VAL 18 -10.124 3.971 13.526 104 HG13 VAL 18 3HG1 VAL 18 -9.811 3.301 15.128 105 HG21 VAL 18 1HG2 VAL 18 -10.735 1.951 12.858 106 HG22 VAL 18 2HG2 VAL 18 -9.500 0.947 12.099 107 HG23 VAL 18 3HG2 VAL 18 -10.007 0.618 13.756 108 H ARG 19 H ARG 19 -7.403 5.099 11.589 109 HA ARG 19 HA ARG 19 -4.907 5.801 12.294 110 HB2 ARG 19 1HB ARG 19 -6.581 7.283 11.181 111 HB3 ARG 19 2HB ARG 19 -7.294 7.596 12.758 112 HG2 ARG 19 1HG ARG 19 -5.470 8.830 13.482 113 HG3 ARG 19 2HG ARG 19 -4.393 8.130 12.272 114 HD2 ARG 19 1HD ARG 19 -5.151 9.506 10.603 115 HD3 ARG 19 2HD ARG 19 -6.741 9.702 11.340 116 HE ARG 19 HE ARG 19 -4.521 11.412 11.668 117 HH11 ARG 19 2HH1 ARG 19 -7.133 9.973 13.464 118 HH12 ARG 19 1HH1 ARG 19 -7.212 11.254 14.628 119 HH21 ARG 19 2HH2 ARG 19 -4.614 13.104 13.195 120 HH22 ARG 19 1HH2 ARG 19 -5.779 13.035 14.473 121 H GLY 20 H GLY 20 -3.878 5.249 14.117 122 HA2 GLY 20 1HA GLY 20 -5.258 5.534 16.687 123 HA3 GLY 20 2HA GLY 20 -3.756 4.665 16.411 124 H TYR 21 H TYR 21 -2.588 5.670 18.015 125 HA TYR 21 HA TYR 21 -2.511 8.495 18.350 126 HB2 TYR 21 1HB TYR 21 -1.915 7.416 20.298 127 HB3 TYR 21 2HB TYR 21 -1.000 6.170 19.456 128 HD1 TYR 21 1HD TYR 21 -0.881 9.853 20.090 129 HD2 TYR 21 2HD TYR 21 1.304 6.235 19.596 130 HE1 TYR 21 1HE TYR 21 1.206 11.051 20.601 131 HE2 TYR 21 2HE TYR 21 3.396 7.423 20.107 132 HH TYR 21 HH TYR 21 3.688 10.727 20.080 133 H ALA 22 H ALA 22 -1.162 9.997 17.526 134 HA ALA 22 HA ALA 22 0.275 10.975 16.053 135 HB1 ALA 22 1HB ALA 22 2.306 8.945 15.947 136 HB2 ALA 22 2HB ALA 22 2.352 10.537 16.706 137 HB3 ALA 22 3HB ALA 22 1.728 9.152 17.601 138 H GLY 23 H GLY 23 -1.762 9.494 14.839 139 HA2 GLY 23 1HA GLY 23 -2.266 9.019 12.620 140 HA3 GLY 23 2HA GLY 23 -0.546 9.021 12.258 141 H PHE 24 H PHE 24 -0.685 7.134 11.028 142 HA PHE 24 HA PHE 24 -1.652 4.705 12.296 143 HB2 PHE 24 1HB PHE 24 -0.576 5.295 9.538 144 HB3 PHE 24 2HB PHE 24 -0.990 3.671 10.076 145 HD1 PHE 24 1HD PHE 24 -3.349 3.151 10.693 146 HD2 PHE 24 2HD PHE 24 -2.232 6.814 8.834 147 HE1 PHE 24 1HE PHE 24 -5.691 3.532 10.045 148 HE2 PHE 24 2HE PHE 24 -4.573 7.201 8.184 149 HZ PHE 24 HZ PHE 24 -6.307 5.560 8.790 150 H GLY 25 H GLY 25 1.353 6.290 11.551 151 HA2 GLY 25 1HA GLY 25 3.470 5.840 12.363 152 HA3 GLY 25 2HA GLY 25 2.802 4.464 13.228 153 H LEU 26 H LEU 26 2.371 4.864 9.788 154 HA LEU 26 HA LEU 26 4.094 2.517 9.368 155 HB2 LEU 26 1HB LEU 26 1.653 2.362 8.800 156 HB3 LEU 26 2HB LEU 26 1.940 3.564 7.543 157 HG LEU 26 HG LEU 26 3.536 1.979 6.477 158 HD11 LEU 26 1HD1 LEU 26 2.541 -0.406 7.718 159 HD12 LEU 26 2HD1 LEU 26 3.303 0.631 8.923 160 HD13 LEU 26 3HD1 LEU 26 4.207 0.128 7.495 161 HD21 LEU 26 1HD2 LEU 26 0.632 1.425 6.820 162 HD22 LEU 26 2HD2 LEU 26 1.616 0.262 5.931 163 HD23 LEU 26 3HD2 LEU 26 1.524 1.938 5.388 164 H THR 27 H THR 27 5.828 2.643 8.075 165 HA THR 27 HA THR 27 6.186 5.098 6.483 166 HB THR 27 HB THR 27 8.448 3.588 7.789 167 HG1 THR 27 1HG THR 27 6.743 5.565 8.802 168 HG21 THR 27 1HG2 THR 27 8.174 6.160 6.282 169 HG22 THR 27 2HG2 THR 27 9.363 4.873 6.089 170 HG23 THR 27 3HG2 THR 27 9.463 5.966 7.469 171 H LEU 28 H LEU 28 6.978 4.881 4.438 172 HA LEU 28 HA LEU 28 7.386 2.125 3.487 173 HB2 LEU 28 1HB LEU 28 6.122 4.532 2.275 174 HB3 LEU 28 2HB LEU 28 6.913 3.371 1.211 175 HG LEU 28 HG LEU 28 4.746 2.598 3.154 176 HD11 LEU 28 1HD1 LEU 28 3.493 2.498 0.805 177 HD12 LEU 28 2HD1 LEU 28 4.575 3.852 0.479 178 HD13 LEU 28 3HD1 LEU 28 3.459 3.923 1.843 179 HD21 LEU 28 1HD2 LEU 28 5.050 0.526 2.405 180 HD22 LEU 28 2HD2 LEU 28 6.533 1.099 1.641 181 HD23 LEU 28 3HD2 LEU 28 5.026 1.059 0.724 182 H GLY 29 H GLY 29 9.297 1.580 2.639 183 HA2 GLY 29 1HA GLY 29 11.237 3.753 2.159 184 HA3 GLY 29 2HA GLY 29 11.667 2.132 2.684 185 H GLY 30 H GLY 30 11.585 4.178 0.085 186 HA2 GLY 30 1HA GLY 30 12.720 3.219 -1.911 187 HA3 GLY 30 2HA GLY 30 11.554 1.908 -1.808 188 H GLY 31 H GLY 31 10.574 2.162 -3.768 189 HA2 GLY 31 1HA GLY 31 8.751 2.985 -4.986 190 HA3 GLY 31 2HA GLY 31 8.760 4.427 -3.982 191 H ARG 32 H ARG 32 8.371 4.940 -6.516 192 HA ARG 32 HA ARG 32 10.669 5.174 -8.145 193 HB2 ARG 32 1HB ARG 32 8.226 5.268 -8.866 194 HB3 ARG 32 2HB ARG 32 8.229 6.936 -8.311 195 HG2 ARG 32 1HG ARG 32 10.234 5.950 -10.307 196 HG3 ARG 32 2HG ARG 32 8.627 6.493 -10.794 197 HD2 ARG 32 1HD ARG 32 9.172 8.608 -9.424 198 HD3 ARG 32 2HD ARG 32 10.844 8.058 -9.522 199 HE ARG 32 HE ARG 32 9.785 8.033 -12.100 200 HH11 ARG 32 2HH1 ARG 32 10.576 10.330 -9.607 201 HH12 ARG 32 1HH1 ARG 32 10.907 11.618 -10.717 202 HH21 ARG 32 2HH2 ARG 32 10.218 9.721 -13.572 203 HH22 ARG 32 1HH2 ARG 32 10.702 11.271 -12.972 204 H ASP 33 H ASP 33 12.378 6.406 -7.765 205 HA ASP 33 HA ASP 33 11.963 9.032 -6.492 206 HB2 ASP 33 1HB ASP 33 13.281 7.092 -5.265 207 HB3 ASP 33 2HB ASP 33 14.598 7.639 -6.298 208 H VAL 34 H VAL 34 13.572 10.679 -7.065 209 HA VAL 34 HA VAL 34 13.843 10.954 -9.848 210 HB VAL 34 HB VAL 34 15.296 12.441 -7.656 211 HG11 VAL 34 1HG1 VAL 34 16.211 13.810 -9.187 212 HG12 VAL 34 2HG1 VAL 34 15.969 12.448 -10.283 213 HG13 VAL 34 3HG1 VAL 34 14.791 13.761 -10.231 214 HG21 VAL 34 1HG2 VAL 34 12.766 12.487 -7.654 215 HG22 VAL 34 2HG2 VAL 34 13.568 14.054 -7.749 216 HG23 VAL 34 3HG2 VAL 34 12.871 13.331 -9.198 217 H ALA 35 H ALA 35 16.235 10.157 -7.345 218 HA ALA 35 HA ALA 35 18.298 9.728 -9.340 219 HB1 ALA 35 1HB ALA 35 18.318 10.468 -6.666 220 HB2 ALA 35 2HB ALA 35 18.973 8.830 -6.675 221 HB3 ALA 35 3HB ALA 35 19.719 10.083 -7.666 222 H GLY 36 H GLY 36 15.875 8.019 -9.284 223 HA2 GLY 36 1HA GLY 36 16.461 5.689 -10.217 224 HA3 GLY 36 2HA GLY 36 17.066 5.418 -8.589 225 H ASP 37 H ASP 37 15.119 3.795 -9.676 226 HA ASP 37 HA ASP 37 12.755 4.556 -8.090 227 HB2 ASP 37 1HB ASP 37 12.003 4.672 -10.320 228 HB3 ASP 37 2HB ASP 37 12.916 3.241 -10.793 229 H THR 38 H THR 38 11.729 2.930 -6.920 230 HA THR 38 HA THR 38 12.863 0.246 -6.957 231 HB THR 38 HB THR 38 13.085 0.268 -4.444 232 HG1 THR 38 1HG THR 38 13.567 2.608 -3.769 233 HG21 THR 38 1HG2 THR 38 15.306 1.171 -4.462 234 HG22 THR 38 2HG2 THR 38 14.938 2.184 -5.859 235 HG23 THR 38 3HG2 THR 38 15.011 0.431 -6.034 236 HA PRO 39 HA PRO 39 8.727 -0.971 -6.119 237 HB2 PRO 39 1HB PRO 39 9.132 -3.298 -4.782 238 HB3 PRO 39 2HB PRO 39 9.410 -3.128 -6.519 239 HG2 PRO 39 1HG PRO 39 11.384 -3.059 -4.269 240 HG3 PRO 39 2HG PRO 39 11.509 -3.866 -5.843 241 HD2 PRO 39 1HD PRO 39 12.712 -1.497 -5.320 242 HD3 PRO 39 2HD PRO 39 12.103 -1.923 -6.933 243 H LEU 40 H LEU 40 7.543 0.169 -4.709 244 HA LEU 40 HA LEU 40 8.233 0.955 -2.155 245 HB2 LEU 40 1HB LEU 40 5.659 0.637 -3.605 246 HB3 LEU 40 2HB LEU 40 5.601 0.919 -1.867 247 HG LEU 40 HG LEU 40 7.084 2.746 -3.739 248 HD11 LEU 40 1HD1 LEU 40 4.177 2.729 -2.995 249 HD12 LEU 40 2HD1 LEU 40 4.907 2.859 -4.594 250 HD13 LEU 40 3HD1 LEU 40 5.014 4.208 -3.464 251 HD21 LEU 40 1HD2 LEU 40 7.635 2.879 -1.356 252 HD22 LEU 40 2HD2 LEU 40 5.932 3.139 -0.978 253 HD23 LEU 40 3HD2 LEU 40 6.820 4.339 -1.918 254 H ALA 41 H ALA 41 8.090 0.106 -0.142 255 HA ALA 41 HA ALA 41 6.536 -2.202 0.487 256 HB1 ALA 41 1HB ALA 41 9.503 -2.661 0.597 257 HB2 ALA 41 2HB ALA 41 8.200 -3.833 0.791 258 HB3 ALA 41 3HB ALA 41 8.527 -3.134 -0.794 259 H VAL 42 H VAL 42 6.148 -2.284 2.630 260 HA VAL 42 HA VAL 42 6.558 -0.259 4.356 261 HB VAL 42 HB VAL 42 6.497 -3.194 5.063 262 HG11 VAL 42 1HG1 VAL 42 5.463 -1.533 7.131 263 HG12 VAL 42 2HG1 VAL 42 6.817 -2.663 7.194 264 HG13 VAL 42 3HG1 VAL 42 7.089 -0.983 6.727 265 HG21 VAL 42 1HG2 VAL 42 4.407 -2.971 4.283 266 HG22 VAL 42 2HG2 VAL 42 4.100 -2.104 5.788 267 HG23 VAL 42 3HG2 VAL 42 4.479 -1.209 4.317 268 H ARG 43 H ARG 43 8.156 0.590 5.553 269 HA ARG 43 HA ARG 43 10.777 -0.732 5.440 270 HB2 ARG 43 1HB ARG 43 10.462 1.616 4.511 271 HB3 ARG 43 2HB ARG 43 10.244 2.143 6.174 272 HG2 ARG 43 1HG ARG 43 12.693 0.713 5.168 273 HG3 ARG 43 2HG ARG 43 12.540 2.467 5.284 274 HD2 ARG 43 1HD ARG 43 11.929 2.038 7.746 275 HD3 ARG 43 2HD ARG 43 12.605 0.430 7.485 276 HE ARG 43 HE ARG 43 14.668 1.366 7.671 277 HH11 ARG 43 2HH1 ARG 43 12.442 3.832 6.630 278 HH12 ARG 43 1HH1 ARG 43 13.627 5.096 6.654 279 HH21 ARG 43 2HH2 ARG 43 16.237 3.021 7.707 280 HH22 ARG 43 1HH2 ARG 43 15.786 4.633 7.266 281 H GLY 44 H GLY 44 9.261 1.569 7.705 282 HA2 GLY 44 1HA GLY 44 10.154 -0.195 9.902 283 HA3 GLY 44 2HA GLY 44 10.194 1.559 10.001 284 H LEU 45 H LEU 45 8.848 -0.379 11.737 285 HA LEU 45 HA LEU 45 6.059 0.483 11.332 286 HB2 LEU 45 1HB LEU 45 7.254 -2.056 12.293 287 HB3 LEU 45 2HB LEU 45 5.750 -1.530 13.045 288 HG LEU 45 HG LEU 45 6.097 -1.919 10.075 289 HD11 LEU 45 1HD1 LEU 45 4.593 -3.805 11.834 290 HD12 LEU 45 2HD1 LEU 45 6.338 -3.979 11.649 291 HD13 LEU 45 3HD1 LEU 45 5.288 -4.069 10.234 292 HD21 LEU 45 1HD2 LEU 45 4.055 -0.752 11.705 293 HD22 LEU 45 2HD2 LEU 45 3.432 -2.211 10.934 294 HD23 LEU 45 3HD2 LEU 45 4.121 -0.918 9.950 295 H LEU 46 H LEU 46 5.325 1.913 12.747 296 HA LEU 46 HA LEU 46 6.779 2.980 14.848 297 HB2 LEU 46 1HB LEU 46 4.650 3.833 13.664 298 HB3 LEU 46 2HB LEU 46 3.783 2.905 14.886 299 HG LEU 46 HG LEU 46 5.254 4.302 16.548 300 HD11 LEU 46 1HD1 LEU 46 6.138 6.270 15.826 301 HD12 LEU 46 2HD1 LEU 46 5.009 6.416 14.480 302 HD13 LEU 46 3HD1 LEU 46 6.374 5.305 14.369 303 HD21 LEU 46 1HD2 LEU 46 2.838 4.373 16.479 304 HD22 LEU 46 2HD2 LEU 46 2.880 5.415 15.056 305 HD23 LEU 46 3HD2 LEU 46 3.478 6.012 16.604 306 H LYS 47 H LYS 47 7.479 1.991 16.614 307 HA LYS 47 HA LYS 47 6.819 -0.419 17.649 308 HB2 LYS 47 1HB LYS 47 8.598 1.303 18.418 309 HB3 LYS 47 2HB LYS 47 7.352 1.869 19.524 310 HG2 LYS 47 1HG LYS 47 8.041 -1.032 19.445 311 HG3 LYS 47 2HG LYS 47 9.092 0.099 20.301 312 HD2 LYS 47 1HD LYS 47 6.149 -0.350 20.794 313 HD3 LYS 47 2HD LYS 47 7.480 -0.856 21.837 314 HE2 LYS 47 1HE LYS 47 8.051 1.732 21.718 315 HE3 LYS 47 2HE LYS 47 6.321 1.844 21.396 316 HZ1 LYS 47 1HZ LYS 47 7.386 1.776 23.843 317 HZ2 LYS 47 2HZ LYS 47 7.054 0.134 23.615 318 HZ3 LYS 47 3HZ LYS 47 5.810 1.273 23.489 319 H ASP 48 H ASP 48 5.224 -1.328 18.817 320 HA ASP 48 HA ASP 48 3.110 -1.610 19.633 321 HB2 ASP 48 1HB ASP 48 4.247 0.709 21.130 322 HB3 ASP 48 2HB ASP 48 2.547 0.314 21.371 323 H GLY 49 H GLY 49 3.199 -0.313 17.115 324 HA2 GLY 49 1HA GLY 49 1.157 1.781 17.278 325 HA3 GLY 49 2HA GLY 49 2.089 1.353 15.851 326 HA PRO 50 HA PRO 50 -2.236 -0.494 15.681 327 HB2 PRO 50 1HB PRO 50 -3.042 0.822 13.448 328 HB3 PRO 50 2HB PRO 50 -3.268 1.468 15.078 329 HG2 PRO 50 1HG PRO 50 -1.152 2.112 13.060 330 HG3 PRO 50 2HG PRO 50 -2.064 3.209 14.114 331 HD2 PRO 50 1HD PRO 50 0.465 2.419 14.673 332 HD3 PRO 50 2HD PRO 50 -0.729 2.767 15.940 333 H ALA 51 H ALA 51 0.082 0.298 13.116 334 HA ALA 51 HA ALA 51 -0.755 -1.801 11.374 335 HB1 ALA 51 1HB ALA 51 0.358 0.210 10.539 336 HB2 ALA 51 2HB ALA 51 1.830 -0.247 11.396 337 HB3 ALA 51 3HB ALA 51 1.231 -1.250 10.075 338 H GLN 52 H GLN 52 1.814 -1.444 13.773 339 HA GLN 52 HA GLN 52 3.058 -3.942 13.206 340 HB2 GLN 52 1HB GLN 52 4.327 -2.196 14.286 341 HB3 GLN 52 2HB GLN 52 3.190 -2.139 15.626 342 HG2 GLN 52 1HG GLN 52 5.295 -3.303 16.167 343 HG3 GLN 52 2HG GLN 52 3.863 -4.312 16.371 344 HE21 GLN 52 1HE2 GLN 52 3.848 -6.233 15.430 345 HE22 GLN 52 2HE2 GLN 52 4.954 -6.770 14.217 346 H ARG 53 H ARG 53 0.916 -2.862 15.841 347 HA ARG 53 HA ARG 53 0.701 -5.283 17.185 348 HB2 ARG 53 1HB ARG 53 -1.217 -2.978 16.893 349 HB3 ARG 53 2HB ARG 53 -1.579 -4.370 17.905 350 HG2 ARG 53 1HG ARG 53 0.270 -3.916 19.331 351 HG3 ARG 53 2HG ARG 53 0.886 -2.680 18.232 352 HD2 ARG 53 1HD ARG 53 -0.761 -1.161 18.809 353 HD3 ARG 53 2HD ARG 53 -1.860 -2.417 19.379 354 HE ARG 53 HE ARG 53 0.541 -2.176 20.943 355 HH11 ARG 53 2HH1 ARG 53 -2.705 -1.008 20.474 356 HH12 ARG 53 1HH1 ARG 53 -2.881 -0.457 22.107 357 HH21 ARG 53 2HH2 ARG 53 0.321 -1.455 23.096 358 HH22 ARG 53 1HH2 ARG 53 -1.160 -0.711 23.597 359 H CYS 54 H CYS 54 -1.275 -4.011 14.526 360 HA CYS 54 HA CYS 54 -3.147 -6.070 14.392 361 HB2 CYS 54 1HB CYS 54 -2.085 -4.084 12.425 362 HB3 CYS 54 2HB CYS 54 -3.118 -5.385 11.844 363 HG CYS 54 HG CYS 54 -5.376 -4.407 12.629 364 H GLY 55 H GLY 55 0.087 -5.824 13.010 365 HA2 GLY 55 1HA GLY 55 1.506 -7.569 12.421 366 HA3 GLY 55 2HA GLY 55 0.193 -8.699 12.717 367 H ARG 56 H ARG 56 -1.589 -7.059 10.936 368 HA ARG 56 HA ARG 56 -1.460 -8.537 8.633 369 HB2 ARG 56 1HB ARG 56 -2.625 -5.886 9.317 370 HB3 ARG 56 2HB ARG 56 -2.531 -6.314 7.614 371 HG2 ARG 56 1HG ARG 56 -3.685 -8.291 9.511 372 HG3 ARG 56 2HG ARG 56 -4.649 -6.885 9.056 373 HD2 ARG 56 1HD ARG 56 -5.176 -8.678 7.558 374 HD3 ARG 56 2HD ARG 56 -4.257 -7.464 6.670 375 HE ARG 56 HE ARG 56 -2.596 -9.005 6.356 376 HH11 ARG 56 2HH1 ARG 56 -4.709 -10.111 8.892 377 HH12 ARG 56 1HH1 ARG 56 -3.967 -11.672 9.008 378 HH21 ARG 56 2HH2 ARG 56 -1.611 -11.058 6.498 379 HH22 ARG 56 1HH2 ARG 56 -2.205 -12.209 7.646 380 H LEU 57 H LEU 57 0.325 -5.629 9.436 381 HA LEU 57 HA LEU 57 1.677 -5.771 6.824 382 HB2 LEU 57 1HB LEU 57 1.438 -3.459 8.743 383 HB3 LEU 57 2HB LEU 57 2.345 -3.434 7.232 384 HG LEU 57 HG LEU 57 -0.577 -4.056 7.181 385 HD11 LEU 57 1HD1 LEU 57 0.451 -1.238 7.091 386 HD12 LEU 57 2HD1 LEU 57 -0.128 -1.976 8.584 387 HD13 LEU 57 3HD1 LEU 57 -1.216 -1.803 7.207 388 HD21 LEU 57 1HD2 LEU 57 -0.449 -3.456 4.971 389 HD22 LEU 57 2HD2 LEU 57 1.169 -4.110 5.224 390 HD23 LEU 57 3HD2 LEU 57 0.911 -2.365 5.231 391 H GLU 58 H GLU 58 3.802 -6.196 6.742 392 HA GLU 58 HA GLU 58 5.399 -5.969 9.187 393 HB2 GLU 58 1HB GLU 58 5.275 -8.443 7.454 394 HB3 GLU 58 2HB GLU 58 6.406 -8.188 8.775 395 HG2 GLU 58 1HG GLU 58 4.689 -8.256 10.390 396 HG3 GLU 58 2HG GLU 58 3.430 -8.137 9.161 397 H VAL 59 H VAL 59 7.597 -5.617 8.857 398 HA VAL 59 HA VAL 59 8.384 -4.091 6.715 399 HB VAL 59 HB VAL 59 10.165 -5.868 8.389 400 HG11 VAL 59 1HG1 VAL 59 10.865 -4.550 6.106 401 HG12 VAL 59 2HG1 VAL 59 11.234 -3.350 7.346 402 HG13 VAL 59 3HG1 VAL 59 11.968 -4.953 7.421 403 HG21 VAL 59 1HG2 VAL 59 8.800 -4.340 9.728 404 HG22 VAL 59 2HG2 VAL 59 10.503 -3.885 9.772 405 HG23 VAL 59 3HG2 VAL 59 9.375 -2.980 8.764 406 H GLY 60 H GLY 60 8.670 -4.511 4.632 407 HA2 GLY 60 1HA GLY 60 10.036 -5.809 3.026 408 HA3 GLY 60 2HA GLY 60 9.476 -7.250 3.863 409 H ASP 61 H ASP 61 6.744 -6.285 4.144 410 HA ASP 61 HA ASP 61 5.525 -7.432 1.983 411 HB2 ASP 61 1HB ASP 61 4.570 -5.260 3.841 412 HB3 ASP 61 2HB ASP 61 3.527 -5.938 2.593 413 H LEU 62 H LEU 62 4.817 -6.812 -0.010 414 HA LEU 62 HA LEU 62 5.889 -4.278 -1.018 415 HB2 LEU 62 1HB LEU 62 4.793 -6.619 -2.566 416 HB3 LEU 62 2HB LEU 62 5.653 -5.228 -3.224 417 HG LEU 62 HG LEU 62 6.865 -7.292 -1.385 418 HD11 LEU 62 1HD1 LEU 62 6.306 -8.285 -3.526 419 HD12 LEU 62 2HD1 LEU 62 8.050 -8.069 -3.387 420 HD13 LEU 62 3HD1 LEU 62 7.100 -6.957 -4.373 421 HD21 LEU 62 1HD2 LEU 62 8.845 -5.963 -2.801 422 HD22 LEU 62 2HD2 LEU 62 8.437 -5.743 -1.099 423 HD23 LEU 62 3HD2 LEU 62 7.722 -4.690 -2.321 424 H VAL 63 H VAL 63 4.632 -2.757 -2.040 425 HA VAL 63 HA VAL 63 1.730 -3.063 -1.664 426 HB VAL 63 HB VAL 63 3.229 -0.481 -2.096 427 HG11 VAL 63 1HG1 VAL 63 1.165 0.476 -1.059 428 HG12 VAL 63 2HG1 VAL 63 0.909 -0.281 -2.633 429 HG13 VAL 63 3HG1 VAL 63 0.440 -1.128 -1.159 430 HG21 VAL 63 1HG2 VAL 63 2.469 -0.438 0.515 431 HG22 VAL 63 2HG2 VAL 63 2.923 -2.130 0.312 432 HG23 VAL 63 3HG2 VAL 63 4.086 -0.855 -0.052 433 H LEU 64 H LEU 64 0.529 -3.372 -3.410 434 HA LEU 64 HA LEU 64 1.649 -2.737 -6.040 435 HB2 LEU 64 1HB LEU 64 -0.740 -4.413 -5.286 436 HB3 LEU 64 2HB LEU 64 -0.126 -4.183 -6.922 437 HG LEU 64 HG LEU 64 1.401 -5.520 -4.690 438 HD11 LEU 64 1HD1 LEU 64 -0.788 -6.551 -5.934 439 HD12 LEU 64 2HD1 LEU 64 0.533 -7.504 -5.260 440 HD13 LEU 64 3HD1 LEU 64 0.515 -7.116 -6.980 441 HD21 LEU 64 1HD2 LEU 64 2.357 -4.364 -6.984 442 HD22 LEU 64 2HD2 LEU 64 2.133 -6.045 -7.466 443 HD23 LEU 64 3HD2 LEU 64 3.148 -5.653 -6.078 444 H HIS 65 H HIS 65 -1.074 -2.043 -3.941 445 HA HIS 65 HA HIS 65 -1.698 0.294 -5.558 446 HB2 HIS 65 1HB HIS 65 -3.846 -1.706 -4.828 447 HB3 HIS 65 2HB HIS 65 -4.065 -0.206 -5.725 448 HD1 HIS 65 1HD HIS 65 -2.320 -0.235 -8.000 449 HD2 HIS 65 2HD HIS 65 -3.838 -3.804 -6.511 450 HE1 HIS 65 1HE HIS 65 -2.143 -1.882 -9.892 451 HE2 HIS 65 2HE HIS 65 -3.146 -4.011 -8.994 452 H ILE 66 H ILE 66 -3.660 1.473 -4.413 453 HA ILE 66 HA ILE 66 -3.646 1.152 -1.531 454 HB ILE 66 HB ILE 66 -2.616 3.682 -2.818 455 HG12 ILE 66 1HG1 ILE 66 -1.300 1.707 -0.941 456 HG13 ILE 66 2HG1 ILE 66 -0.938 1.899 -2.653 457 HG21 ILE 66 1HG2 ILE 66 -4.095 3.398 -0.459 458 HG22 ILE 66 2HG2 ILE 66 -2.420 3.613 0.046 459 HG23 ILE 66 3HG2 ILE 66 -3.188 4.812 -0.994 460 HD11 ILE 66 1HD1 ILE 66 -0.084 4.118 -2.259 461 HD12 ILE 66 2HD1 ILE 66 -0.538 4.020 -0.558 462 HD13 ILE 66 3HD1 ILE 66 0.722 2.965 -1.196 463 H ASN 67 H ASN 67 -5.596 1.602 -0.735 464 HA ASN 67 HA ASN 67 -7.814 2.144 -0.707 465 HB2 ASN 67 1HB ASN 67 -6.444 4.660 -1.606 466 HB3 ASN 67 2HB ASN 67 -8.198 4.614 -1.451 467 HD21 ASN 67 1HD2 ASN 67 -5.291 5.094 0.138 468 HD22 ASN 67 2HD2 ASN 67 -5.880 5.081 1.763 469 H GLY 68 H GLY 68 -7.155 0.627 -2.939 470 HA2 GLY 68 1HA GLY 68 -8.077 -0.050 -4.930 471 HA3 GLY 68 2HA GLY 68 -9.383 1.080 -4.605 472 H GLU 69 H GLU 69 -6.086 2.175 -4.807 473 HA GLU 69 HA GLU 69 -6.716 3.427 -7.400 474 HB2 GLU 69 1HB GLU 69 -6.410 4.863 -5.230 475 HB3 GLU 69 2HB GLU 69 -4.698 4.577 -5.508 476 HG2 GLU 69 1HG GLU 69 -5.328 5.395 -7.942 477 HG3 GLU 69 2HG GLU 69 -6.632 6.195 -7.067 478 H SER 70 H SER 70 -5.054 3.602 -8.938 479 HA SER 70 HA SER 70 -3.112 1.461 -8.793 480 HB2 SER 70 1HB SER 70 -3.944 3.375 -10.969 481 HB3 SER 70 2HB SER 70 -2.570 2.286 -11.160 482 HG SER 70 HG SER 70 -5.056 1.718 -11.624 483 H THR 71 H THR 71 -1.157 1.735 -7.972 484 HA THR 71 HA THR 71 -0.052 4.418 -7.700 485 HB THR 71 HB THR 71 0.022 2.950 -5.740 486 HG1 THR 71 1HG THR 71 2.348 3.910 -6.960 487 HG21 THR 71 1HG2 THR 71 2.131 1.234 -6.920 488 HG22 THR 71 2HG2 THR 71 0.467 0.901 -7.402 489 HG23 THR 71 3HG2 THR 71 0.917 0.859 -5.698 490 H GLN 72 H GLN 72 -0.162 2.595 -10.224 491 HA GLN 72 HA GLN 72 2.384 1.840 -11.001 492 HB2 GLN 72 1HB GLN 72 1.601 1.984 -13.283 493 HB3 GLN 72 2HB GLN 72 0.309 1.358 -12.268 494 HG2 GLN 72 1HG GLN 72 -0.407 3.873 -12.161 495 HG3 GLN 72 2HG GLN 72 0.537 3.984 -13.645 496 HE21 GLN 72 1HE2 GLN 72 -1.870 4.607 -14.130 497 HE22 GLN 72 2HE2 GLN 72 -2.814 3.327 -14.805 498 H GLY 73 H GLY 73 0.922 5.028 -10.940 499 HA2 GLY 73 1HA GLY 73 3.537 6.147 -11.738 500 HA3 GLY 73 2HA GLY 73 2.026 6.821 -12.329 501 H LEU 74 H LEU 74 2.705 5.678 -9.057 502 HA LEU 74 HA LEU 74 2.325 8.443 -8.110 503 HB2 LEU 74 1HB LEU 74 1.555 5.850 -6.780 504 HB3 LEU 74 2HB LEU 74 1.426 7.440 -6.031 505 HG LEU 74 HG LEU 74 -0.103 6.502 -8.459 506 HD11 LEU 74 1HD1 LEU 74 -0.556 5.812 -5.863 507 HD12 LEU 74 2HD1 LEU 74 -1.791 5.901 -7.118 508 HD13 LEU 74 3HD1 LEU 74 -1.542 7.265 -6.028 509 HD21 LEU 74 1HD2 LEU 74 -0.496 8.644 -8.874 510 HD22 LEU 74 2HD2 LEU 74 0.487 9.123 -7.490 511 HD23 LEU 74 3HD2 LEU 74 -1.235 8.800 -7.281 512 H THR 75 H THR 75 3.955 9.319 -7.021 513 HA THR 75 HA THR 75 6.293 7.729 -6.416 514 HB THR 75 HB THR 75 7.203 9.970 -5.599 515 HG1 THR 75 1HG THR 75 4.800 10.726 -5.577 516 HG21 THR 75 1HG2 THR 75 6.281 10.210 -8.432 517 HG22 THR 75 2HG2 THR 75 7.345 8.880 -7.976 518 HG23 THR 75 3HG2 THR 75 7.865 10.548 -7.735 519 H HIS 76 H HIS 76 7.438 8.301 -4.260 520 HA HIS 76 HA HIS 76 6.143 7.118 -2.161 521 HB2 HIS 76 1HB HIS 76 8.495 7.430 -2.010 522 HB3 HIS 76 2HB HIS 76 8.346 9.178 -2.161 523 HD1 HIS 76 1HD HIS 76 9.100 10.103 0.006 524 HD2 HIS 76 2HD HIS 76 6.626 6.803 0.507 525 HE1 HIS 76 1HE HIS 76 8.759 9.889 2.489 526 HE2 HIS 76 2HE HIS 76 7.329 7.835 2.772 527 H ALA 77 H ALA 77 6.264 10.578 -2.915 528 HA ALA 77 HA ALA 77 4.835 11.452 -0.641 529 HB1 ALA 77 1HB ALA 77 4.362 13.479 -2.170 530 HB2 ALA 77 2HB ALA 77 6.030 13.127 -1.715 531 HB3 ALA 77 3HB ALA 77 5.435 12.667 -3.310 532 H GLN 78 H GLN 78 3.780 10.786 -3.974 533 HA GLN 78 HA GLN 78 1.090 11.437 -3.664 534 HB2 GLN 78 1HB GLN 78 2.467 9.458 -5.472 535 HB3 GLN 78 2HB GLN 78 0.741 9.779 -5.567 536 HG2 GLN 78 1HG GLN 78 2.990 11.714 -6.051 537 HG3 GLN 78 2HG GLN 78 1.838 11.084 -7.227 538 HE21 GLN 78 1HE2 GLN 78 2.498 13.844 -6.350 539 HE22 GLN 78 2HE2 GLN 78 0.986 14.544 -5.893 540 H ALA 79 H ALA 79 2.464 8.142 -3.665 541 HA ALA 79 HA ALA 79 0.284 6.704 -2.902 542 HB1 ALA 79 1HB ALA 79 2.089 5.367 -3.327 543 HB2 ALA 79 2HB ALA 79 3.196 6.372 -2.391 544 HB3 ALA 79 3HB ALA 79 2.066 5.299 -1.565 545 H VAL 80 H VAL 80 2.538 8.369 -0.712 546 HA VAL 80 HA VAL 80 1.273 7.613 1.687 547 HB VAL 80 HB VAL 80 2.934 10.073 1.118 548 HG11 VAL 80 1HG1 VAL 80 2.843 10.633 3.289 549 HG12 VAL 80 2HG1 VAL 80 1.376 9.652 3.315 550 HG13 VAL 80 3HG1 VAL 80 2.914 8.955 3.826 551 HG21 VAL 80 1HG2 VAL 80 3.732 7.481 0.938 552 HG22 VAL 80 2HG2 VAL 80 4.792 8.829 1.351 553 HG23 VAL 80 3HG2 VAL 80 4.089 7.837 2.628 554 H GLU 81 H GLU 81 1.021 10.610 -0.224 555 HA GLU 81 HA GLU 81 -0.780 11.986 1.355 556 HB2 GLU 81 1HB GLU 81 0.321 12.987 -0.581 557 HB3 GLU 81 2HB GLU 81 -0.597 11.949 -1.662 558 HG2 GLU 81 1HG GLU 81 -2.650 13.072 -0.468 559 HG3 GLU 81 2HG GLU 81 -1.471 14.338 -0.129 560 H ARG 82 H ARG 82 -1.419 9.539 -1.118 561 HA ARG 82 HA ARG 82 -4.193 9.731 -1.222 562 HB2 ARG 82 1HB ARG 82 -2.451 7.278 -1.518 563 HB3 ARG 82 2HB ARG 82 -4.142 7.371 -1.990 564 HG2 ARG 82 1HG ARG 82 -2.056 9.213 -3.116 565 HG3 ARG 82 2HG ARG 82 -2.425 7.640 -3.827 566 HD2 ARG 82 1HD ARG 82 -4.202 10.045 -3.561 567 HD3 ARG 82 2HD ARG 82 -3.736 9.178 -5.024 568 HE ARG 82 HE ARG 82 -5.081 7.297 -3.676 569 HH11 ARG 82 2HH1 ARG 82 -5.838 10.619 -4.389 570 HH12 ARG 82 1HH1 ARG 82 -7.550 10.358 -4.422 571 HH21 ARG 82 2HH2 ARG 82 -7.333 6.940 -3.717 572 HH22 ARG 82 1HH2 ARG 82 -8.400 8.266 -4.039 573 H ILE 83 H ILE 83 -2.132 7.852 0.963 574 HA ILE 83 HA ILE 83 -4.219 6.522 2.318 575 HB ILE 83 HB ILE 83 -1.494 7.241 3.404 576 HG12 ILE 83 1HG1 ILE 83 -2.197 4.580 2.218 577 HG13 ILE 83 2HG1 ILE 83 -1.735 5.906 1.157 578 HG21 ILE 83 1HG2 ILE 83 -3.176 6.510 5.074 579 HG22 ILE 83 2HG2 ILE 83 -3.352 5.000 4.183 580 HG23 ILE 83 3HG2 ILE 83 -1.807 5.407 4.929 581 HD11 ILE 83 1HD1 ILE 83 0.264 6.023 2.943 582 HD12 ILE 83 2HD1 ILE 83 -0.107 4.300 3.002 583 HD13 ILE 83 3HD1 ILE 83 0.318 5.059 1.468 584 H ARG 84 H ARG 84 -2.286 9.356 3.303 585 HA ARG 84 HA ARG 84 -3.632 9.943 5.654 586 HB2 ARG 84 1HB ARG 84 -2.160 11.680 3.687 587 HB3 ARG 84 2HB ARG 84 -2.888 12.356 5.138 588 HG2 ARG 84 1HG ARG 84 -1.098 10.008 5.441 589 HG3 ARG 84 2HG ARG 84 -0.371 11.573 5.073 590 HD2 ARG 84 1HD ARG 84 -0.377 11.657 7.360 591 HD3 ARG 84 2HD ARG 84 -1.945 12.389 7.016 592 HE ARG 84 HE ARG 84 -2.535 9.763 7.274 593 HH11 ARG 84 2HH1 ARG 84 -0.795 12.029 9.264 594 HH12 ARG 84 1HH1 ARG 84 -1.219 11.248 10.752 595 HH21 ARG 84 2HH2 ARG 84 -3.099 8.726 9.226 596 HH22 ARG 84 1HH2 ARG 84 -2.529 9.368 10.728 597 H ALA 85 H ALA 85 -4.234 11.270 2.403 598 HA ALA 85 HA ALA 85 -6.482 12.808 3.141 599 HB1 ALA 85 1HB ALA 85 -6.943 12.917 0.720 600 HB2 ALA 85 2HB ALA 85 -5.261 13.279 1.109 601 HB3 ALA 85 3HB ALA 85 -5.693 11.702 0.449 602 H GLY 86 H GLY 86 -6.096 9.459 2.202 603 HA2 GLY 86 1HA GLY 86 -8.502 8.606 1.360 604 HA3 GLY 86 2HA GLY 86 -7.576 7.707 2.554 605 H GLY 87 H GLY 87 -7.765 9.300 4.774 606 HA2 GLY 87 1HA GLY 87 -9.746 10.551 5.815 607 HA3 GLY 87 2HA GLY 87 -10.652 9.123 5.339 608 HA PRO 88 HA PRO 88 -9.326 8.432 9.688 609 HB2 PRO 88 1HB PRO 88 -11.639 7.215 10.424 610 HB3 PRO 88 2HB PRO 88 -11.433 8.971 10.431 611 HG2 PRO 88 1HG PRO 88 -12.744 7.225 8.383 612 HG3 PRO 88 2HG PRO 88 -13.282 8.785 9.033 613 HD2 PRO 88 1HD PRO 88 -12.054 8.553 6.631 614 HD3 PRO 88 2HD PRO 88 -11.869 9.985 7.664 615 H GLN 89 H GLN 89 -10.486 6.408 7.127 616 HA GLN 89 HA GLN 89 -9.436 4.024 8.494 617 HB2 GLN 89 1HB GLN 89 -11.585 4.428 6.459 618 HB3 GLN 89 2HB GLN 89 -10.715 2.899 6.478 619 HG2 GLN 89 1HG GLN 89 -11.286 2.878 8.997 620 HG3 GLN 89 2HG GLN 89 -12.499 4.081 8.561 621 HE21 GLN 89 1HE2 GLN 89 -11.485 0.774 8.232 622 HE22 GLN 89 2HE2 GLN 89 -12.971 0.169 7.590 623 H LEU 90 H LEU 90 -7.730 2.954 7.676 624 HA LEU 90 HA LEU 90 -6.493 4.056 5.257 625 HB2 LEU 90 1HB LEU 90 -5.009 4.123 7.084 626 HB3 LEU 90 2HB LEU 90 -5.426 2.485 7.583 627 HG LEU 90 HG LEU 90 -4.116 2.872 4.936 628 HD11 LEU 90 1HD1 LEU 90 -2.844 4.274 6.551 629 HD12 LEU 90 2HD1 LEU 90 -1.924 2.921 5.894 630 HD13 LEU 90 3HD1 LEU 90 -2.581 2.828 7.528 631 HD21 LEU 90 1HD2 LEU 90 -2.969 0.739 5.929 632 HD22 LEU 90 2HD2 LEU 90 -4.606 0.653 5.278 633 HD23 LEU 90 3HD2 LEU 90 -4.354 0.753 7.021 634 H HIS 91 H HIS 91 -6.371 2.920 3.429 635 HA HIS 91 HA HIS 91 -6.855 0.019 3.544 636 HB2 HIS 91 1HB HIS 91 -8.803 1.513 2.692 637 HB3 HIS 91 2HB HIS 91 -7.821 1.689 1.241 638 HD1 HIS 91 1HD HIS 91 -7.987 -0.136 -0.452 639 HD2 HIS 91 2HD HIS 91 -9.526 -1.263 3.239 640 HE1 HIS 91 1HE HIS 91 -9.049 -2.385 -0.825 641 HE2 HIS 91 2HE HIS 91 -10.048 -3.007 1.402 642 H LEU 92 H LEU 92 -5.149 -1.047 2.813 643 HA LEU 92 HA LEU 92 -3.677 0.036 0.513 644 HB2 LEU 92 1HB LEU 92 -2.341 -1.264 2.876 645 HB3 LEU 92 2HB LEU 92 -1.566 -0.497 1.492 646 HG LEU 92 HG LEU 92 -3.163 0.928 3.619 647 HD11 LEU 92 1HD1 LEU 92 -0.191 0.955 3.128 648 HD12 LEU 92 2HD1 LEU 92 -0.986 0.004 4.383 649 HD13 LEU 92 3HD1 LEU 92 -1.070 1.765 4.426 650 HD21 LEU 92 1HD2 LEU 92 -3.282 2.605 2.172 651 HD22 LEU 92 2HD2 LEU 92 -2.359 1.694 0.977 652 HD23 LEU 92 3HD2 LEU 92 -1.520 2.685 2.171 653 H VAL 93 H VAL 93 -2.804 -1.485 -0.889 654 HA VAL 93 HA VAL 93 -3.848 -4.208 -0.534 655 HB VAL 93 HB VAL 93 -2.783 -3.051 -3.102 656 HG11 VAL 93 1HG1 VAL 93 -4.003 -5.563 -2.265 657 HG12 VAL 93 2HG1 VAL 93 -4.782 -4.843 -3.675 658 HG13 VAL 93 3HG1 VAL 93 -3.053 -5.188 -3.702 659 HG21 VAL 93 1HG2 VAL 93 -5.519 -2.807 -1.894 660 HG22 VAL 93 2HG2 VAL 93 -4.504 -1.547 -2.594 661 HG23 VAL 93 3HG2 VAL 93 -5.268 -2.745 -3.638 662 H ILE 94 H ILE 94 -2.424 -5.617 0.234 663 HA ILE 94 HA ILE 94 0.388 -5.381 -0.619 664 HB ILE 94 HB ILE 94 -0.667 -6.616 1.927 665 HG12 ILE 94 1HG1 ILE 94 -0.817 -4.134 1.854 666 HG13 ILE 94 2HG1 ILE 94 0.313 -4.717 3.070 667 HG21 ILE 94 1HG2 ILE 94 1.341 -7.725 1.112 668 HG22 ILE 94 2HG2 ILE 94 2.160 -6.169 0.980 669 HG23 ILE 94 3HG2 ILE 94 1.692 -6.787 2.564 670 HD11 ILE 94 1HD1 ILE 94 0.791 -2.809 1.119 671 HD12 ILE 94 2HD1 ILE 94 1.985 -3.592 2.154 672 HD13 ILE 94 3HD1 ILE 94 1.639 -4.249 0.555 673 H ARG 95 H ARG 95 1.538 -7.300 -1.079 674 HA ARG 95 HA ARG 95 -0.057 -9.742 -1.373 675 HB2 ARG 95 1HB ARG 95 -0.212 -8.887 -3.560 676 HB3 ARG 95 2HB ARG 95 1.447 -8.304 -3.543 677 HG2 ARG 95 1HG ARG 95 2.165 -10.722 -3.448 678 HG3 ARG 95 2HG ARG 95 0.485 -11.137 -3.794 679 HD2 ARG 95 1HD ARG 95 0.651 -9.660 -5.823 680 HD3 ARG 95 2HD ARG 95 2.383 -9.548 -5.509 681 HE ARG 95 HE ARG 95 1.002 -11.732 -6.704 682 HH11 ARG 95 2HH1 ARG 95 3.707 -10.918 -4.669 683 HH12 ARG 95 1HH1 ARG 95 4.617 -12.330 -5.093 684 HH21 ARG 95 2HH2 ARG 95 2.191 -13.595 -7.269 685 HH22 ARG 95 1HH2 ARG 95 3.754 -13.851 -6.572 686 H ARG 96 H ARG 96 0.983 -11.066 -0.015 687 HA ARG 96 HA ARG 96 3.597 -10.972 0.824 688 HB2 ARG 96 1HB ARG 96 1.615 -12.483 1.580 689 HB3 ARG 96 2HB ARG 96 2.252 -13.620 0.400 690 HG2 ARG 96 1HG ARG 96 4.364 -13.708 1.554 691 HG3 ARG 96 2HG ARG 96 3.834 -12.458 2.681 692 HD2 ARG 96 1HD ARG 96 2.531 -15.158 2.359 693 HD3 ARG 96 2HD ARG 96 3.696 -14.747 3.617 694 HE ARG 96 HE ARG 96 1.482 -12.950 3.583 695 HH11 ARG 96 2HH1 ARG 96 2.515 -16.105 4.631 696 HH12 ARG 96 1HH1 ARG 96 1.381 -16.186 5.938 697 HH21 ARG 96 2HH2 ARG 96 -0.016 -13.045 5.301 698 HH22 ARG 96 1HH2 ARG 96 -0.059 -14.445 6.318 699 HA PRO 97 HA PRO 97 5.576 -11.942 -3.106 700 HB2 PRO 97 1HB PRO 97 8.065 -11.243 -2.276 701 HB3 PRO 97 2HB PRO 97 6.857 -10.061 -2.793 702 HG2 PRO 97 1HG PRO 97 7.632 -10.889 -0.023 703 HG3 PRO 97 2HG PRO 97 7.316 -9.263 -0.658 704 HD2 PRO 97 1HD PRO 97 5.487 -10.646 0.781 705 HD3 PRO 97 2HD PRO 97 5.030 -9.511 -0.505 706 H LEU 98 H LEU 98 7.758 -13.157 -3.521 707 HA LEU 98 HA LEU 98 7.494 -15.737 -2.329 708 HB2 LEU 98 1HB LEU 98 9.285 -14.512 -4.376 709 HB3 LEU 98 2HB LEU 98 9.710 -16.075 -3.682 710 HG LEU 98 HG LEU 98 8.553 -16.297 -5.831 711 HD11 LEU 98 1HD1 LEU 98 8.113 -17.727 -3.548 712 HD12 LEU 98 2HD1 LEU 98 7.561 -18.184 -5.159 713 HD13 LEU 98 3HD1 LEU 98 6.472 -17.334 -4.062 714 HD21 LEU 98 1HD2 LEU 98 7.114 -14.172 -5.234 715 HD22 LEU 98 2HD2 LEU 98 5.997 -15.386 -4.609 716 HD23 LEU 98 3HD2 LEU 98 6.491 -15.429 -6.303 717 H SER 99 H SER 99 9.204 -16.919 -1.258 718 HA SER 99 HA SER 99 11.126 -15.219 0.178 719 HB2 SER 99 1HB SER 99 9.434 -15.537 1.803 720 HB3 SER 99 2HB SER 99 9.204 -17.226 1.350 721 HG SER 99 HG SER 99 11.278 -16.047 2.840 722 H GLY 100 H GLY 100 13.125 -16.084 0.492 723 HA2 GLY 100 1HA GLY 100 13.541 -18.808 -0.578 724 HA3 GLY 100 2HA GLY 100 14.695 -17.498 -0.775 725 HA PRO 101 HA PRO 101 15.208 -20.020 3.304 726 HB2 PRO 101 1HB PRO 101 16.788 -22.068 2.481 727 HB3 PRO 101 2HB PRO 101 15.025 -22.180 2.542 728 HG2 PRO 101 1HG PRO 101 16.810 -21.643 0.199 729 HG3 PRO 101 2HG PRO 101 15.387 -22.696 0.304 730 HD2 PRO 101 1HD PRO 101 15.289 -20.221 -0.789 731 HD3 PRO 101 2HD PRO 101 13.913 -20.940 0.072 732 H SER 102 H SER 102 17.042 -18.646 0.821 733 HA SER 102 HA SER 102 19.639 -18.933 1.991 734 HB2 SER 102 1HB SER 102 20.351 -17.305 0.298 735 HB3 SER 102 2HB SER 102 19.342 -18.557 -0.427 736 HG SER 102 HG SER 102 17.608 -16.832 0.171 737 H SER 103 H SER 103 20.787 -17.507 3.234 738 HA SER 103 HA SER 103 19.284 -15.203 4.294 739 HB2 SER 103 1HB SER 103 21.275 -16.960 5.750 740 HB3 SER 103 2HB SER 103 20.473 -15.545 6.430 741 HG SER 103 HG SER 103 19.471 -18.084 5.906 742 H GLY 104 H GLY 104 20.141 -13.597 3.042 743 HA2 GLY 104 1HA GLY 104 22.978 -13.007 3.520 744 HA3 GLY 104 2HA GLY 104 22.395 -13.053 1.863 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -15.471 5.895 3.677 2 HA2 GLY 1 1HA GLY 1 -15.076 5.822 1.376 3 HA3 GLY 1 2HA GLY 1 -14.870 4.127 1.791 4 H SER 2 H SER 2 -17.384 3.248 2.233 5 HA SER 2 HA SER 2 -19.005 2.233 0.952 6 HB2 SER 2 1HB SER 2 -19.942 4.451 1.866 7 HB3 SER 2 2HB SER 2 -19.763 5.057 0.220 8 HG SER 2 HG SER 2 -21.722 3.566 1.223 9 H SER 3 H SER 3 -16.617 2.334 -0.482 10 HA SER 3 HA SER 3 -17.650 2.610 -3.219 11 HB2 SER 3 1HB SER 3 -15.182 3.816 -2.053 12 HB3 SER 3 2HB SER 3 -15.111 3.225 -3.713 13 HG SER 3 HG SER 3 -16.203 5.486 -2.785 14 H GLY 4 H GLY 4 -16.888 1.106 -4.708 15 HA2 GLY 4 1HA GLY 4 -14.820 -0.589 -4.727 16 HA3 GLY 4 2HA GLY 4 -15.848 -1.331 -3.509 17 H SER 5 H SER 5 -15.409 -0.672 -6.884 18 HA SER 5 HA SER 5 -17.708 -2.418 -7.481 19 HB2 SER 5 1HB SER 5 -17.928 -1.193 -9.635 20 HB3 SER 5 2HB SER 5 -18.196 -0.156 -8.234 21 HG SER 5 HG SER 5 -16.176 0.722 -8.512 22 H SER 6 H SER 6 -15.071 -3.328 -6.962 23 HA SER 6 HA SER 6 -14.233 -4.231 -9.640 24 HB2 SER 6 1HB SER 6 -11.994 -4.650 -8.580 25 HB3 SER 6 2HB SER 6 -12.461 -2.950 -8.626 26 HG SER 6 HG SER 6 -12.981 -3.054 -6.461 27 H GLY 7 H GLY 7 -14.870 -5.185 -6.311 28 HA2 GLY 7 1HA GLY 7 -15.921 -7.264 -5.794 29 HA3 GLY 7 2HA GLY 7 -15.217 -7.947 -7.252 30 H GLN 8 H GLN 8 -13.811 -9.481 -6.757 31 HA GLN 8 HA GLN 8 -11.881 -8.959 -4.600 32 HB2 GLN 8 1HB GLN 8 -11.981 -11.371 -4.011 33 HB3 GLN 8 2HB GLN 8 -13.487 -10.517 -3.702 34 HG2 GLN 8 1HG GLN 8 -14.281 -11.377 -5.942 35 HG3 GLN 8 2HG GLN 8 -12.865 -12.428 -5.930 36 HE21 GLN 8 1HE2 GLN 8 -12.802 -14.174 -4.570 37 HE22 GLN 8 2HE2 GLN 8 -14.169 -14.715 -3.663 38 H ALA 9 H ALA 9 -10.006 -10.587 -4.743 39 HA ALA 9 HA ALA 9 -9.404 -11.538 -7.407 40 HB1 ALA 9 1HB ALA 9 -7.374 -10.215 -7.677 41 HB2 ALA 9 2HB ALA 9 -8.797 -9.177 -7.578 42 HB3 ALA 9 3HB ALA 9 -7.732 -9.347 -6.183 43 H SER 10 H SER 10 -7.933 -13.174 -7.403 44 HA SER 10 HA SER 10 -7.069 -14.126 -4.792 45 HB2 SER 10 1HB SER 10 -7.220 -15.361 -7.531 46 HB3 SER 10 2HB SER 10 -6.295 -16.131 -6.242 47 HG SER 10 HG SER 10 -9.067 -15.619 -6.370 48 H GLY 11 H GLY 11 -5.323 -12.907 -4.190 49 HA2 GLY 11 1HA GLY 11 -2.783 -13.604 -4.811 50 HA3 GLY 11 2HA GLY 11 -3.153 -12.392 -6.028 51 H HIS 12 H HIS 12 -4.255 -10.360 -4.996 52 HA HIS 12 HA HIS 12 -2.459 -9.497 -2.851 53 HB2 HIS 12 1HB HIS 12 -3.609 -7.207 -3.555 54 HB3 HIS 12 2HB HIS 12 -2.270 -7.888 -4.474 55 HD1 HIS 12 1HD HIS 12 -5.964 -7.299 -4.639 56 HD2 HIS 12 2HD HIS 12 -2.913 -8.783 -7.038 57 HE1 HIS 12 1HE HIS 12 -6.953 -7.489 -6.943 58 HE2 HIS 12 2HE HIS 12 -5.115 -8.470 -8.359 59 H PHE 13 H PHE 13 -3.221 -8.402 -1.007 60 HA PHE 13 HA PHE 13 -6.086 -8.788 -0.440 61 HB2 PHE 13 1HB PHE 13 -5.401 -9.175 1.949 62 HB3 PHE 13 2HB PHE 13 -4.898 -10.439 0.830 63 HD1 PHE 13 2HD PHE 13 -3.747 -7.553 2.807 64 HD2 PHE 13 1HD PHE 13 -2.607 -10.912 0.455 65 HE1 PHE 13 2HE PHE 13 -1.422 -7.292 3.567 66 HE2 PHE 13 1HE PHE 13 -0.280 -10.657 1.212 67 HZ PHE 13 HZ PHE 13 0.315 -8.844 2.769 68 H SER 14 H SER 14 -6.883 -7.385 1.359 69 HA SER 14 HA SER 14 -5.721 -4.703 1.070 70 HB2 SER 14 1HB SER 14 -8.023 -4.034 2.061 71 HB3 SER 14 2HB SER 14 -7.963 -4.598 0.391 72 HG SER 14 HG SER 14 -8.423 -6.406 2.500 73 H VAL 15 H VAL 15 -5.680 -3.292 2.937 74 HA VAL 15 HA VAL 15 -5.469 -4.749 5.491 75 HB VAL 15 HB VAL 15 -3.697 -2.437 4.713 76 HG11 VAL 15 1HG1 VAL 15 -4.002 -4.180 7.082 77 HG12 VAL 15 2HG1 VAL 15 -2.352 -3.775 6.601 78 HG13 VAL 15 3HG1 VAL 15 -3.505 -2.491 6.970 79 HG21 VAL 15 1HG2 VAL 15 -2.484 -5.100 4.880 80 HG22 VAL 15 2HG2 VAL 15 -3.574 -4.877 3.512 81 HG23 VAL 15 3HG2 VAL 15 -2.200 -3.794 3.730 82 H GLU 16 H GLU 16 -6.889 -4.022 6.919 83 HA GLU 16 HA GLU 16 -7.778 -1.222 6.728 84 HB2 GLU 16 1HB GLU 16 -9.248 -3.428 8.159 85 HB3 GLU 16 2HB GLU 16 -9.867 -1.864 7.647 86 HG2 GLU 16 1HG GLU 16 -8.868 -3.772 5.592 87 HG3 GLU 16 2HG GLU 16 -10.450 -4.037 6.323 88 H LEU 17 H LEU 17 -7.357 0.126 8.357 89 HA LEU 17 HA LEU 17 -6.817 -0.936 11.024 90 HB2 LEU 17 1HB LEU 17 -4.947 0.944 9.590 91 HB3 LEU 17 2HB LEU 17 -4.787 0.392 11.256 92 HG LEU 17 HG LEU 17 -4.642 -1.421 8.850 93 HD11 LEU 17 1HD1 LEU 17 -2.812 0.417 9.219 94 HD12 LEU 17 2HD1 LEU 17 -2.357 -1.240 8.824 95 HD13 LEU 17 3HD1 LEU 17 -2.270 -0.676 10.493 96 HD21 LEU 17 1HD2 LEU 17 -3.935 -3.098 10.339 97 HD22 LEU 17 2HD2 LEU 17 -5.328 -2.346 11.117 98 HD23 LEU 17 3HD2 LEU 17 -3.695 -1.947 11.654 99 H VAL 18 H VAL 18 -6.847 0.722 12.696 100 HA VAL 18 HA VAL 18 -8.555 2.993 11.923 101 HB VAL 18 HB VAL 18 -8.310 1.663 14.625 102 HG11 VAL 18 1HG1 VAL 18 -10.168 3.066 15.292 103 HG12 VAL 18 2HG1 VAL 18 -8.831 4.071 14.729 104 HG13 VAL 18 3HG1 VAL 18 -10.227 3.794 13.687 105 HG21 VAL 18 1HG2 VAL 18 -9.487 0.465 12.630 106 HG22 VAL 18 2HG2 VAL 18 -10.270 0.518 14.209 107 HG23 VAL 18 3HG2 VAL 18 -10.775 1.630 12.937 108 H ARG 19 H ARG 19 -7.559 4.889 11.895 109 HA ARG 19 HA ARG 19 -5.057 5.581 12.498 110 HB2 ARG 19 1HB ARG 19 -7.131 7.028 11.740 111 HB3 ARG 19 2HB ARG 19 -7.147 7.498 13.434 112 HG2 ARG 19 1HG ARG 19 -4.838 8.274 13.243 113 HG3 ARG 19 2HG ARG 19 -4.824 7.803 11.542 114 HD2 ARG 19 1HD ARG 19 -6.348 9.470 10.947 115 HD3 ARG 19 2HD ARG 19 -6.887 9.697 12.610 116 HE ARG 19 HE ARG 19 -4.158 10.350 12.414 117 HH11 ARG 19 2HH1 ARG 19 -7.288 11.525 11.445 118 HH12 ARG 19 1HH1 ARG 19 -6.802 13.188 11.423 119 HH21 ARG 19 2HH2 ARG 19 -3.506 12.536 12.389 120 HH22 ARG 19 1HH2 ARG 19 -4.650 13.762 11.959 121 H GLY 20 H GLY 20 -3.924 4.884 14.215 122 HA2 GLY 20 1HA GLY 20 -4.987 4.565 16.821 123 HA3 GLY 20 2HA GLY 20 -3.283 4.546 16.395 124 H TYR 21 H TYR 21 -2.210 6.646 16.136 125 HA TYR 21 HA TYR 21 -3.520 8.909 17.414 126 HB2 TYR 21 1HB TYR 21 -2.538 7.678 19.295 127 HB3 TYR 21 2HB TYR 21 -0.967 7.701 18.500 128 HD1 TYR 21 2HD TYR 21 0.247 9.857 18.237 129 HD2 TYR 21 1HD TYR 21 -3.330 9.560 20.520 130 HE1 TYR 21 2HE TYR 21 0.769 12.002 19.322 131 HE2 TYR 21 1HE TYR 21 -2.820 11.704 21.611 132 HH TYR 21 HH TYR 21 -0.839 13.101 22.088 133 H ALA 22 H ALA 22 -3.083 10.649 16.249 134 HA ALA 22 HA ALA 22 -2.134 12.012 14.679 135 HB1 ALA 22 1HB ALA 22 -0.125 11.401 16.702 136 HB2 ALA 22 2HB ALA 22 0.563 11.940 15.170 137 HB3 ALA 22 3HB ALA 22 -0.609 12.951 16.014 138 H GLY 23 H GLY 23 -2.533 9.303 13.814 139 HA2 GLY 23 1HA GLY 23 -1.920 8.871 11.420 140 HA3 GLY 23 2HA GLY 23 -0.252 8.991 11.961 141 H PHE 24 H PHE 24 -0.833 6.774 10.645 142 HA PHE 24 HA PHE 24 -1.633 4.688 12.505 143 HB2 PHE 24 1HB PHE 24 -0.862 4.628 9.584 144 HB3 PHE 24 2HB PHE 24 -1.265 3.187 10.513 145 HD1 PHE 24 2HD PHE 24 -2.571 6.300 9.074 146 HD2 PHE 24 1HD PHE 24 -3.525 2.681 11.101 147 HE1 PHE 24 2HE PHE 24 -4.955 6.657 8.582 148 HE2 PHE 24 1HE PHE 24 -5.911 3.032 10.613 149 HZ PHE 24 HZ PHE 24 -6.629 5.023 9.353 150 H GLY 25 H GLY 25 1.190 6.285 11.672 151 HA2 GLY 25 1HA GLY 25 3.361 5.941 12.367 152 HA3 GLY 25 2HA GLY 25 2.803 4.517 13.232 153 H LEU 26 H LEU 26 2.080 4.736 9.870 154 HA LEU 26 HA LEU 26 4.013 2.589 9.354 155 HB2 LEU 26 1HB LEU 26 1.600 2.184 8.909 156 HB3 LEU 26 2HB LEU 26 1.654 3.453 7.688 157 HG LEU 26 HG LEU 26 3.292 2.107 6.414 158 HD11 LEU 26 1HD1 LEU 26 2.737 -0.404 7.724 159 HD12 LEU 26 2HD1 LEU 26 3.568 0.715 8.804 160 HD13 LEU 26 3HD1 LEU 26 4.281 0.301 7.245 161 HD21 LEU 26 1HD2 LEU 26 1.533 0.119 6.098 162 HD22 LEU 26 2HD2 LEU 26 1.262 1.748 5.478 163 HD23 LEU 26 3HD2 LEU 26 0.524 1.249 7.001 164 H THR 27 H THR 27 5.648 2.824 7.946 165 HA THR 27 HA THR 27 5.735 5.290 6.334 166 HB THR 27 HB THR 27 8.112 3.959 7.646 167 HG1 THR 27 1HG THR 27 6.834 6.421 8.310 168 HG21 THR 27 1HG2 THR 27 7.774 6.343 5.863 169 HG22 THR 27 2HG2 THR 27 8.958 5.040 5.770 170 HG23 THR 27 3HG2 THR 27 9.102 6.276 7.020 171 H LEU 28 H LEU 28 7.026 5.167 4.387 172 HA LEU 28 HA LEU 28 7.336 2.421 3.368 173 HB2 LEU 28 1HB LEU 28 5.954 4.772 2.200 174 HB3 LEU 28 2HB LEU 28 6.844 3.721 1.101 175 HG LEU 28 HG LEU 28 4.718 2.699 2.972 176 HD11 LEU 28 1HD1 LEU 28 4.274 3.245 0.061 177 HD12 LEU 28 2HD1 LEU 28 3.964 4.482 1.279 178 HD13 LEU 28 3HD1 LEU 28 3.089 2.952 1.335 179 HD21 LEU 28 1HD2 LEU 28 5.794 1.536 0.411 180 HD22 LEU 28 2HD2 LEU 28 4.737 0.760 1.590 181 HD23 LEU 28 3HD2 LEU 28 6.412 1.120 2.009 182 H GLY 29 H GLY 29 9.143 1.979 2.174 183 HA2 GLY 29 1HA GLY 29 11.071 4.201 1.885 184 HA3 GLY 29 2HA GLY 29 11.542 2.563 2.312 185 H GLY 30 H GLY 30 12.365 4.291 0.052 186 HA2 GLY 30 1HA GLY 30 13.115 3.692 -2.072 187 HA3 GLY 30 2HA GLY 30 12.081 2.273 -2.011 188 H GLY 31 H GLY 31 10.728 2.327 -3.679 189 HA2 GLY 31 1HA GLY 31 8.829 3.078 -4.814 190 HA3 GLY 31 2HA GLY 31 8.977 4.623 -3.991 191 H ARG 32 H ARG 32 8.776 5.908 -5.790 192 HA ARG 32 HA ARG 32 10.650 5.499 -7.998 193 HB2 ARG 32 1HB ARG 32 8.303 5.868 -8.582 194 HB3 ARG 32 2HB ARG 32 8.315 7.400 -7.718 195 HG2 ARG 32 1HG ARG 32 8.593 8.125 -9.863 196 HG3 ARG 32 2HG ARG 32 10.278 7.954 -9.366 197 HD2 ARG 32 1HD ARG 32 10.298 6.873 -11.396 198 HD3 ARG 32 2HD ARG 32 10.000 5.529 -10.294 199 HE ARG 32 HE ARG 32 7.895 5.297 -11.185 200 HH11 ARG 32 2HH1 ARG 32 9.287 8.308 -12.241 201 HH12 ARG 32 1HH1 ARG 32 8.043 8.626 -13.404 202 HH21 ARG 32 2HH2 ARG 32 6.251 5.704 -12.713 203 HH22 ARG 32 1HH2 ARG 32 6.316 7.145 -13.671 204 H ASP 33 H ASP 33 12.595 6.355 -7.612 205 HA ASP 33 HA ASP 33 12.753 8.987 -6.315 206 HB2 ASP 33 1HB ASP 33 15.173 7.311 -6.832 207 HB3 ASP 33 2HB ASP 33 14.844 8.425 -5.507 208 H VAL 34 H VAL 34 14.297 10.543 -7.152 209 HA VAL 34 HA VAL 34 14.030 10.926 -9.941 210 HB VAL 34 HB VAL 34 15.829 12.310 -7.949 211 HG11 VAL 34 1HG1 VAL 34 15.324 12.809 -10.859 212 HG12 VAL 34 2HG1 VAL 34 15.754 14.133 -9.775 213 HG13 VAL 34 3HG1 VAL 34 16.855 12.770 -9.984 214 HG21 VAL 34 1HG2 VAL 34 13.162 12.374 -7.966 215 HG22 VAL 34 2HG2 VAL 34 14.143 13.779 -7.548 216 HG23 VAL 34 3HG2 VAL 34 13.472 13.623 -9.172 217 H ALA 35 H ALA 35 16.552 9.554 -7.943 218 HA ALA 35 HA ALA 35 18.113 8.999 -10.383 219 HB1 ALA 35 1HB ALA 35 19.194 10.614 -8.808 220 HB2 ALA 35 2HB ALA 35 19.262 9.315 -7.617 221 HB3 ALA 35 3HB ALA 35 20.141 9.163 -9.138 222 H GLY 36 H GLY 36 15.982 7.496 -8.758 223 HA2 GLY 36 1HA GLY 36 17.264 4.919 -8.985 224 HA3 GLY 36 2HA GLY 36 16.869 5.369 -7.333 225 H ASP 37 H ASP 37 15.830 3.183 -8.999 226 HA ASP 37 HA ASP 37 12.976 3.873 -8.802 227 HB2 ASP 37 1HB ASP 37 12.560 2.383 -10.759 228 HB3 ASP 37 2HB ASP 37 13.500 3.818 -11.159 229 H THR 38 H THR 38 12.386 2.812 -7.007 230 HA THR 38 HA THR 38 12.864 -0.088 -6.932 231 HB THR 38 HB THR 38 12.942 0.211 -4.361 232 HG1 THR 38 1HG THR 38 13.977 2.284 -3.847 233 HG21 THR 38 1HG2 THR 38 14.933 0.136 -6.365 234 HG22 THR 38 2HG2 THR 38 15.064 -0.381 -4.684 235 HG23 THR 38 3HG2 THR 38 15.483 1.272 -5.134 236 HA PRO 39 HA PRO 39 8.533 -0.383 -6.221 237 HB2 PRO 39 1HB PRO 39 8.438 -2.786 -4.963 238 HB3 PRO 39 2HB PRO 39 8.752 -2.620 -6.694 239 HG2 PRO 39 1HG PRO 39 10.688 -3.039 -4.450 240 HG3 PRO 39 2HG PRO 39 10.649 -3.802 -6.050 241 HD2 PRO 39 1HD PRO 39 12.318 -1.755 -5.453 242 HD3 PRO 39 2HD PRO 39 11.639 -1.991 -7.076 243 H LEU 40 H LEU 40 7.331 0.629 -4.750 244 HA LEU 40 HA LEU 40 8.193 1.397 -2.225 245 HB2 LEU 40 1HB LEU 40 5.542 1.252 -3.570 246 HB3 LEU 40 2HB LEU 40 5.591 1.572 -1.837 247 HG LEU 40 HG LEU 40 7.059 3.244 -3.869 248 HD11 LEU 40 1HD1 LEU 40 4.952 3.771 -4.526 249 HD12 LEU 40 2HD1 LEU 40 5.067 4.841 -3.128 250 HD13 LEU 40 3HD1 LEU 40 4.230 3.295 -2.988 251 HD21 LEU 40 1HD2 LEU 40 7.442 3.095 -1.201 252 HD22 LEU 40 2HD2 LEU 40 6.180 4.325 -1.275 253 HD23 LEU 40 3HD2 LEU 40 7.692 4.558 -2.153 254 H ALA 41 H ALA 41 8.262 0.448 -0.286 255 HA ALA 41 HA ALA 41 6.525 -1.769 0.370 256 HB1 ALA 41 1HB ALA 41 9.505 -2.148 0.144 257 HB2 ALA 41 2HB ALA 41 8.424 -3.265 0.977 258 HB3 ALA 41 3HB ALA 41 8.245 -2.992 -0.756 259 H VAL 42 H VAL 42 6.271 -2.056 2.561 260 HA VAL 42 HA VAL 42 6.540 0.004 4.301 261 HB VAL 42 HB VAL 42 6.757 -2.918 5.042 262 HG11 VAL 42 1HG1 VAL 42 6.718 -0.475 6.626 263 HG12 VAL 42 2HG1 VAL 42 5.446 -1.612 7.077 264 HG13 VAL 42 3HG1 VAL 42 7.134 -2.123 7.096 265 HG21 VAL 42 1HG2 VAL 42 4.229 -1.393 5.304 266 HG22 VAL 42 2HG2 VAL 42 4.726 -1.862 3.678 267 HG23 VAL 42 3HG2 VAL 42 4.493 -3.094 4.919 268 H ARG 43 H ARG 43 8.063 0.872 5.611 269 HA ARG 43 HA ARG 43 10.772 -0.265 5.425 270 HB2 ARG 43 1HB ARG 43 10.250 2.083 4.496 271 HB3 ARG 43 2HB ARG 43 10.154 2.579 6.181 272 HG2 ARG 43 1HG ARG 43 12.563 1.130 5.165 273 HG3 ARG 43 2HG ARG 43 12.376 2.865 4.902 274 HD2 ARG 43 1HD ARG 43 13.489 2.907 6.891 275 HD3 ARG 43 2HD ARG 43 11.832 2.833 7.488 276 HE ARG 43 HE ARG 43 12.717 0.217 7.204 277 HH11 ARG 43 2HH1 ARG 43 13.521 3.039 9.078 278 HH12 ARG 43 1HH1 ARG 43 14.111 2.132 10.432 279 HH21 ARG 43 2HH2 ARG 43 13.491 -0.988 8.980 280 HH22 ARG 43 1HH2 ARG 43 14.094 -0.158 10.374 281 H GLY 44 H GLY 44 9.069 1.933 7.666 282 HA2 GLY 44 1HA GLY 44 10.145 0.301 9.883 283 HA3 GLY 44 2HA GLY 44 9.980 2.049 9.962 284 H LEU 45 H LEU 45 8.862 -0.046 11.700 285 HA LEU 45 HA LEU 45 6.000 0.549 11.323 286 HB2 LEU 45 1HB LEU 45 7.420 -1.915 12.181 287 HB3 LEU 45 2HB LEU 45 5.861 -1.560 12.923 288 HG LEU 45 HG LEU 45 6.321 -1.829 9.954 289 HD11 LEU 45 1HD1 LEU 45 4.838 -3.942 10.507 290 HD12 LEU 45 2HD1 LEU 45 5.650 -3.807 12.065 291 HD13 LEU 45 3HD1 LEU 45 6.598 -4.000 10.591 292 HD21 LEU 45 1HD2 LEU 45 4.258 -0.609 11.337 293 HD22 LEU 45 2HD2 LEU 45 3.637 -2.220 10.978 294 HD23 LEU 45 3HD2 LEU 45 4.209 -1.183 9.670 295 H LEU 46 H LEU 46 5.516 2.173 12.660 296 HA LEU 46 HA LEU 46 6.868 2.892 14.982 297 HB2 LEU 46 1HB LEU 46 5.005 4.084 13.549 298 HB3 LEU 46 2HB LEU 46 3.939 3.392 14.770 299 HG LEU 46 HG LEU 46 6.292 4.990 15.662 300 HD11 LEU 46 1HD1 LEU 46 4.997 6.189 13.779 301 HD12 LEU 46 2HD1 LEU 46 5.302 7.052 15.286 302 HD13 LEU 46 3HD1 LEU 46 3.715 6.348 14.979 303 HD21 LEU 46 1HD2 LEU 46 4.850 3.796 17.265 304 HD22 LEU 46 2HD2 LEU 46 3.468 4.729 16.690 305 HD23 LEU 46 3HD2 LEU 46 4.811 5.544 17.493 306 H LYS 47 H LYS 47 7.141 1.707 16.747 307 HA LYS 47 HA LYS 47 5.775 -0.555 17.503 308 HB2 LYS 47 1HB LYS 47 7.926 0.226 18.476 309 HB3 LYS 47 2HB LYS 47 7.042 1.447 19.383 310 HG2 LYS 47 1HG LYS 47 7.586 -0.487 20.764 311 HG3 LYS 47 2HG LYS 47 5.841 -0.286 20.588 312 HD2 LYS 47 1HD LYS 47 6.489 -2.633 20.374 313 HD3 LYS 47 2HD LYS 47 5.811 -2.019 18.864 314 HE2 LYS 47 1HE LYS 47 7.781 -3.383 18.436 315 HE3 LYS 47 2HE LYS 47 8.071 -1.705 17.980 316 HZ1 LYS 47 1HZ LYS 47 8.872 -1.875 20.595 317 HZ2 LYS 47 2HZ LYS 47 9.879 -1.819 19.237 318 HZ3 LYS 47 3HZ LYS 47 9.432 -3.311 19.897 319 H ASP 48 H ASP 48 4.291 -0.951 19.280 320 HA ASP 48 HA ASP 48 2.205 -0.708 20.172 321 HB2 ASP 48 1HB ASP 48 1.934 1.143 21.660 322 HB3 ASP 48 2HB ASP 48 3.644 0.720 21.672 323 H GLY 49 H GLY 49 2.477 -0.088 17.339 324 HA2 GLY 49 1HA GLY 49 0.363 1.949 17.031 325 HA3 GLY 49 2HA GLY 49 1.531 1.527 15.787 326 HA PRO 50 HA PRO 50 -2.538 -0.835 15.291 327 HB2 PRO 50 1HB PRO 50 -3.347 0.358 12.991 328 HB3 PRO 50 2HB PRO 50 -3.786 0.962 14.593 329 HG2 PRO 50 1HG PRO 50 -1.633 1.903 12.738 330 HG3 PRO 50 2HG PRO 50 -2.769 2.858 13.708 331 HD2 PRO 50 1HD PRO 50 -0.205 2.432 14.467 332 HD3 PRO 50 2HD PRO 50 -1.531 2.605 15.636 333 H ALA 51 H ALA 51 -0.444 0.375 12.666 334 HA ALA 51 HA ALA 51 -0.750 -1.901 11.018 335 HB1 ALA 51 1HB ALA 51 1.715 -0.231 10.878 336 HB2 ALA 51 2HB ALA 51 0.722 -0.889 9.577 337 HB3 ALA 51 3HB ALA 51 0.157 0.504 10.499 338 H GLN 52 H GLN 52 1.385 -1.154 13.670 339 HA GLN 52 HA GLN 52 3.173 -3.357 13.123 340 HB2 GLN 52 1HB GLN 52 4.236 -1.525 14.142 341 HB3 GLN 52 2HB GLN 52 2.953 -1.326 15.328 342 HG2 GLN 52 1HG GLN 52 4.668 -3.780 15.280 343 HG3 GLN 52 2HG GLN 52 5.180 -2.308 16.104 344 HE21 GLN 52 1HE2 GLN 52 4.186 -5.140 16.869 345 HE22 GLN 52 2HE2 GLN 52 3.081 -4.822 18.158 346 H ARG 53 H ARG 53 0.441 -2.675 15.214 347 HA ARG 53 HA ARG 53 0.717 -4.996 16.841 348 HB2 ARG 53 1HB ARG 53 -1.434 -2.969 16.378 349 HB3 ARG 53 2HB ARG 53 -1.826 -4.453 17.235 350 HG2 ARG 53 1HG ARG 53 -0.063 -3.956 18.871 351 HG3 ARG 53 2HG ARG 53 0.272 -2.444 18.024 352 HD2 ARG 53 1HD ARG 53 -1.133 -1.907 19.859 353 HD3 ARG 53 2HD ARG 53 -2.132 -1.819 18.409 354 HE ARG 53 HE ARG 53 -2.199 -4.353 19.803 355 HH11 ARG 53 2HH1 ARG 53 -3.643 -1.212 19.396 356 HH12 ARG 53 1HH1 ARG 53 -5.177 -1.688 20.046 357 HH21 ARG 53 2HH2 ARG 53 -4.213 -4.993 20.661 358 HH22 ARG 53 1HH2 ARG 53 -5.499 -3.839 20.766 359 H CYS 54 H CYS 54 -1.378 -4.195 14.080 360 HA CYS 54 HA CYS 54 -2.785 -6.587 13.933 361 HB2 CYS 54 1HB CYS 54 -3.221 -6.008 11.590 362 HB3 CYS 54 2HB CYS 54 -3.381 -4.597 12.629 363 HG CYS 54 HG CYS 54 -2.146 -4.103 10.038 364 H GLY 55 H GLY 55 0.391 -5.740 12.655 365 HA2 GLY 55 1HA GLY 55 2.146 -7.188 12.175 366 HA3 GLY 55 2HA GLY 55 1.065 -8.546 12.450 367 H ARG 56 H ARG 56 -0.970 -7.682 10.608 368 HA ARG 56 HA ARG 56 -0.491 -9.034 8.364 369 HB2 ARG 56 1HB ARG 56 -1.924 -6.392 8.614 370 HB3 ARG 56 2HB ARG 56 -1.937 -7.340 7.133 371 HG2 ARG 56 1HG ARG 56 -2.935 -9.219 8.379 372 HG3 ARG 56 2HG ARG 56 -2.991 -8.200 9.818 373 HD2 ARG 56 1HD ARG 56 -4.305 -6.555 8.334 374 HD3 ARG 56 2HD ARG 56 -4.526 -7.933 7.257 375 HE ARG 56 HE ARG 56 -5.783 -7.503 9.815 376 HH11 ARG 56 2HH1 ARG 56 -4.889 -9.840 7.394 377 HH12 ARG 56 1HH1 ARG 56 -6.093 -10.990 7.873 378 HH21 ARG 56 2HH2 ARG 56 -7.372 -9.009 10.454 379 HH22 ARG 56 1HH2 ARG 56 -7.506 -10.516 9.613 380 H LEU 57 H LEU 57 0.675 -5.760 8.975 381 HA LEU 57 HA LEU 57 2.080 -5.746 6.411 382 HB2 LEU 57 1HB LEU 57 1.862 -3.579 8.495 383 HB3 LEU 57 2HB LEU 57 2.548 -3.410 6.881 384 HG LEU 57 HG LEU 57 -0.349 -4.000 7.483 385 HD11 LEU 57 1HD1 LEU 57 0.157 -1.500 6.172 386 HD12 LEU 57 2HD1 LEU 57 1.044 -1.580 7.693 387 HD13 LEU 57 3HD1 LEU 57 -0.702 -1.821 7.678 388 HD21 LEU 57 1HD2 LEU 57 -0.040 -4.874 5.379 389 HD22 LEU 57 2HD2 LEU 57 1.244 -3.735 4.975 390 HD23 LEU 57 3HD2 LEU 57 -0.437 -3.199 4.996 391 H GLU 58 H GLU 58 4.239 -5.941 6.213 392 HA GLU 58 HA GLU 58 5.888 -5.874 8.640 393 HB2 GLU 58 1HB GLU 58 5.686 -8.113 6.643 394 HB3 GLU 58 2HB GLU 58 7.150 -7.869 7.586 395 HG2 GLU 58 1HG GLU 58 5.820 -8.068 9.650 396 HG3 GLU 58 2HG GLU 58 4.393 -8.397 8.670 397 H VAL 59 H VAL 59 8.179 -5.590 8.217 398 HA VAL 59 HA VAL 59 8.672 -3.610 6.258 399 HB VAL 59 HB VAL 59 10.626 -5.218 7.908 400 HG11 VAL 59 1HG1 VAL 59 12.300 -4.227 6.837 401 HG12 VAL 59 2HG1 VAL 59 11.131 -3.575 5.686 402 HG13 VAL 59 3HG1 VAL 59 11.586 -2.638 7.110 403 HG21 VAL 59 1HG2 VAL 59 10.729 -2.917 9.101 404 HG22 VAL 59 2HG2 VAL 59 9.161 -2.645 8.341 405 HG23 VAL 59 3HG2 VAL 59 9.383 -4.005 9.442 406 H GLY 60 H GLY 60 8.753 -4.000 4.143 407 HA2 GLY 60 1HA GLY 60 10.328 -4.888 2.432 408 HA3 GLY 60 2HA GLY 60 10.160 -6.439 3.242 409 H ASP 61 H ASP 61 7.187 -5.401 3.548 410 HA ASP 61 HA ASP 61 6.098 -7.042 1.555 411 HB2 ASP 61 1HB ASP 61 4.981 -4.975 3.409 412 HB3 ASP 61 2HB ASP 61 3.962 -5.612 2.122 413 H LEU 62 H LEU 62 5.147 -6.624 -0.417 414 HA LEU 62 HA LEU 62 6.030 -4.167 -1.716 415 HB2 LEU 62 1HB LEU 62 4.670 -6.534 -2.980 416 HB3 LEU 62 2HB LEU 62 5.589 -5.264 -3.785 417 HG LEU 62 HG LEU 62 6.748 -7.350 -1.938 418 HD11 LEU 62 1HD1 LEU 62 7.585 -8.447 -3.854 419 HD12 LEU 62 2HD1 LEU 62 7.092 -7.129 -4.917 420 HD13 LEU 62 3HD1 LEU 62 5.873 -8.157 -4.165 421 HD21 LEU 62 1HD2 LEU 62 8.546 -5.932 -3.724 422 HD22 LEU 62 2HD2 LEU 62 8.677 -6.234 -1.991 423 HD23 LEU 62 3HD2 LEU 62 7.745 -4.856 -2.579 424 H VAL 63 H VAL 63 4.704 -2.586 -2.400 425 HA VAL 63 HA VAL 63 1.856 -2.852 -1.755 426 HB VAL 63 HB VAL 63 3.355 -0.328 -2.457 427 HG11 VAL 63 1HG1 VAL 63 0.857 -0.374 -2.713 428 HG12 VAL 63 2HG1 VAL 63 0.755 -0.655 -0.974 429 HG13 VAL 63 3HG1 VAL 63 1.472 0.835 -1.587 430 HG21 VAL 63 1HG2 VAL 63 4.415 -0.749 -0.501 431 HG22 VAL 63 2HG2 VAL 63 2.927 -0.089 0.179 432 HG23 VAL 63 3HG2 VAL 63 3.152 -1.836 0.077 433 H LEU 64 H LEU 64 0.404 -3.115 -3.312 434 HA LEU 64 HA LEU 64 1.222 -2.699 -6.092 435 HB2 LEU 64 1HB LEU 64 -1.099 -4.184 -4.875 436 HB3 LEU 64 2HB LEU 64 -0.859 -3.983 -6.610 437 HG LEU 64 HG LEU 64 -0.169 -6.206 -5.645 438 HD11 LEU 64 1HD1 LEU 64 1.146 -4.516 -7.541 439 HD12 LEU 64 2HD1 LEU 64 0.948 -6.268 -7.557 440 HD13 LEU 64 3HD1 LEU 64 2.334 -5.546 -6.740 441 HD21 LEU 64 1HD2 LEU 64 1.843 -6.386 -4.399 442 HD22 LEU 64 2HD2 LEU 64 0.844 -5.184 -3.581 443 HD23 LEU 64 3HD2 LEU 64 2.195 -4.668 -4.591 444 H HIS 65 H HIS 65 -1.489 -1.968 -3.910 445 HA HIS 65 HA HIS 65 -1.950 0.506 -5.391 446 HB2 HIS 65 1HB HIS 65 -4.160 -1.468 -4.780 447 HB3 HIS 65 2HB HIS 65 -4.365 0.119 -5.516 448 HD1 HIS 65 1HD HIS 65 -2.140 0.015 -7.628 449 HD2 HIS 65 2HD HIS 65 -4.764 -3.113 -6.859 450 HE1 HIS 65 1HE HIS 65 -2.173 -1.366 -9.729 451 HE2 HIS 65 2HE HIS 65 -3.832 -3.205 -9.271 452 H ILE 66 H ILE 66 -3.838 1.741 -4.196 453 HA ILE 66 HA ILE 66 -3.883 1.286 -1.337 454 HB ILE 66 HB ILE 66 -2.670 3.815 -2.457 455 HG12 ILE 66 1HG1 ILE 66 -1.455 1.640 -0.738 456 HG13 ILE 66 2HG1 ILE 66 -1.134 1.880 -2.452 457 HG21 ILE 66 1HG2 ILE 66 -2.738 3.216 0.450 458 HG22 ILE 66 2HG2 ILE 66 -2.761 4.767 -0.387 459 HG23 ILE 66 3HG2 ILE 66 -4.223 3.783 -0.314 460 HD11 ILE 66 1HD1 ILE 66 0.423 2.839 -0.501 461 HD12 ILE 66 2HD1 ILE 66 0.260 3.606 -2.081 462 HD13 ILE 66 3HD1 ILE 66 -0.669 4.207 -0.709 463 H ASN 67 H ASN 67 -5.806 1.848 -0.543 464 HA ASN 67 HA ASN 67 -7.984 2.541 -0.538 465 HB2 ASN 67 1HB ASN 67 -6.380 4.991 -1.180 466 HB3 ASN 67 2HB ASN 67 -8.138 5.091 -1.128 467 HD21 ASN 67 1HD2 ASN 67 -5.445 5.555 0.630 468 HD22 ASN 67 2HD2 ASN 67 -6.080 5.337 2.223 469 H GLY 68 H GLY 68 -7.559 1.087 -2.777 470 HA2 GLY 68 1HA GLY 68 -8.483 0.639 -4.830 471 HA3 GLY 68 2HA GLY 68 -9.619 1.936 -4.493 472 H GLU 69 H GLU 69 -6.256 2.695 -4.466 473 HA GLU 69 HA GLU 69 -6.567 4.022 -7.078 474 HB2 GLU 69 1HB GLU 69 -6.371 5.550 -5.113 475 HB3 GLU 69 2HB GLU 69 -4.781 4.871 -4.794 476 HG2 GLU 69 1HG GLU 69 -4.314 6.824 -5.942 477 HG3 GLU 69 2HG GLU 69 -4.214 5.584 -7.191 478 H SER 70 H SER 70 -5.096 3.643 -8.635 479 HA SER 70 HA SER 70 -3.199 1.515 -8.220 480 HB2 SER 70 1HB SER 70 -3.072 1.367 -10.521 481 HB3 SER 70 2HB SER 70 -4.662 2.110 -10.346 482 HG SER 70 HG SER 70 -3.299 4.165 -10.460 483 H THR 71 H THR 71 -1.167 1.762 -7.602 484 HA THR 71 HA THR 71 0.011 4.408 -7.491 485 HB THR 71 HB THR 71 0.258 2.847 -5.585 486 HG1 THR 71 1HG THR 71 1.847 4.381 -5.694 487 HG21 THR 71 1HG2 THR 71 0.951 0.740 -5.830 488 HG22 THR 71 2HG2 THR 71 2.399 1.259 -6.693 489 HG23 THR 71 3HG2 THR 71 0.896 0.989 -7.574 490 H GLN 72 H GLN 72 -0.341 2.456 -9.966 491 HA GLN 72 HA GLN 72 2.187 1.872 -10.983 492 HB2 GLN 72 1HB GLN 72 -0.392 2.549 -12.398 493 HB3 GLN 72 2HB GLN 72 1.050 1.988 -13.233 494 HG2 GLN 72 1HG GLN 72 -0.311 0.444 -11.043 495 HG3 GLN 72 2HG GLN 72 -0.662 0.233 -12.757 496 HE21 GLN 72 1HE2 GLN 72 1.131 -0.401 -14.142 497 HE22 GLN 72 2HE2 GLN 72 2.372 -1.413 -13.494 498 H GLY 73 H GLY 73 0.647 4.892 -10.541 499 HA2 GLY 73 1HA GLY 73 2.861 6.199 -11.974 500 HA3 GLY 73 2HA GLY 73 1.209 6.713 -12.281 501 H LEU 74 H LEU 74 2.190 5.713 -9.099 502 HA LEU 74 HA LEU 74 2.072 8.526 -8.231 503 HB2 LEU 74 1HB LEU 74 1.233 6.047 -6.735 504 HB3 LEU 74 2HB LEU 74 1.225 7.682 -6.077 505 HG LEU 74 HG LEU 74 -0.453 6.772 -8.413 506 HD11 LEU 74 1HD1 LEU 74 -2.044 7.421 -6.190 507 HD12 LEU 74 2HD1 LEU 74 -0.790 6.328 -5.607 508 HD13 LEU 74 3HD1 LEU 74 -1.829 5.843 -6.947 509 HD21 LEU 74 1HD2 LEU 74 0.295 9.310 -7.719 510 HD22 LEU 74 2HD2 LEU 74 -1.239 9.125 -6.868 511 HD23 LEU 74 3HD2 LEU 74 -1.164 8.884 -8.614 512 H THR 75 H THR 75 3.845 9.314 -7.315 513 HA THR 75 HA THR 75 6.108 7.601 -6.822 514 HB THR 75 HB THR 75 7.192 9.788 -6.077 515 HG1 THR 75 1HG THR 75 5.263 10.935 -5.624 516 HG21 THR 75 1HG2 THR 75 7.806 10.224 -8.230 517 HG22 THR 75 2HG2 THR 75 6.145 10.198 -8.824 518 HG23 THR 75 3HG2 THR 75 6.990 8.684 -8.499 519 H HIS 76 H HIS 76 7.418 8.030 -4.759 520 HA HIS 76 HA HIS 76 6.261 6.925 -2.578 521 HB2 HIS 76 1HB HIS 76 8.556 7.155 -2.377 522 HB3 HIS 76 2HB HIS 76 8.535 8.846 -2.866 523 HD1 HIS 76 1HD HIS 76 8.438 10.577 -1.040 524 HD2 HIS 76 2HD HIS 76 7.780 6.721 0.361 525 HE1 HIS 76 1HE HIS 76 8.452 10.761 1.468 526 HE2 HIS 76 2HE HIS 76 8.137 8.402 2.294 527 H ALA 77 H ALA 77 6.491 10.426 -3.179 528 HA ALA 77 HA ALA 77 5.177 11.292 -0.875 529 HB1 ALA 77 1HB ALA 77 4.805 13.383 -2.052 530 HB2 ALA 77 2HB ALA 77 6.429 12.775 -2.377 531 HB3 ALA 77 3HB ALA 77 5.162 12.601 -3.592 532 H GLN 78 H GLN 78 3.865 10.476 -4.071 533 HA GLN 78 HA GLN 78 1.191 11.151 -3.512 534 HB2 GLN 78 1HB GLN 78 2.401 9.224 -5.493 535 HB3 GLN 78 2HB GLN 78 0.680 9.581 -5.431 536 HG2 GLN 78 1HG GLN 78 2.647 11.809 -5.676 537 HG3 GLN 78 2HG GLN 78 2.221 10.849 -7.092 538 HE21 GLN 78 1HE2 GLN 78 1.714 13.602 -6.799 539 HE22 GLN 78 2HE2 GLN 78 0.003 13.834 -6.791 540 H ALA 79 H ALA 79 2.738 7.937 -3.591 541 HA ALA 79 HA ALA 79 0.610 6.424 -2.701 542 HB1 ALA 79 1HB ALA 79 3.472 5.918 -1.915 543 HB2 ALA 79 2HB ALA 79 2.180 4.735 -2.117 544 HB3 ALA 79 3HB ALA 79 2.827 5.582 -3.522 545 H VAL 80 H VAL 80 2.366 8.785 -0.988 546 HA VAL 80 HA VAL 80 1.676 7.714 1.634 547 HB VAL 80 HB VAL 80 3.219 10.164 0.792 548 HG11 VAL 80 1HG1 VAL 80 1.900 10.641 2.815 549 HG12 VAL 80 2HG1 VAL 80 2.627 9.238 3.602 550 HG13 VAL 80 3HG1 VAL 80 3.633 10.611 3.138 551 HG21 VAL 80 1HG2 VAL 80 4.605 8.401 2.555 552 HG22 VAL 80 2HG2 VAL 80 3.936 7.464 1.219 553 HG23 VAL 80 3HG2 VAL 80 4.996 8.834 0.890 554 H GLU 81 H GLU 81 0.803 10.355 -0.524 555 HA GLU 81 HA GLU 81 -0.884 11.706 1.325 556 HB2 GLU 81 1HB GLU 81 -1.324 13.181 -0.377 557 HB3 GLU 81 2HB GLU 81 0.184 12.489 -0.959 558 HG2 GLU 81 1HG GLU 81 -1.205 10.870 -2.294 559 HG3 GLU 81 2HG GLU 81 -2.608 11.846 -1.861 560 H ARG 82 H ARG 82 -1.440 9.285 -1.189 561 HA ARG 82 HA ARG 82 -4.210 9.267 -1.235 562 HB2 ARG 82 1HB ARG 82 -2.307 6.936 -1.524 563 HB3 ARG 82 2HB ARG 82 -4.008 6.901 -1.966 564 HG2 ARG 82 1HG ARG 82 -1.913 8.690 -3.182 565 HG3 ARG 82 2HG ARG 82 -2.577 7.226 -3.911 566 HD2 ARG 82 1HD ARG 82 -3.975 9.826 -3.340 567 HD3 ARG 82 2HD ARG 82 -3.734 9.035 -4.897 568 HE ARG 82 HE ARG 82 -5.205 7.256 -3.431 569 HH11 ARG 82 2HH1 ARG 82 -5.582 10.578 -4.402 570 HH12 ARG 82 1HH1 ARG 82 -7.312 10.505 -4.447 571 HH21 ARG 82 2HH2 ARG 82 -7.482 7.147 -3.487 572 HH22 ARG 82 1HH2 ARG 82 -8.392 8.553 -3.926 573 H ILE 83 H ILE 83 -2.011 7.977 1.144 574 HA ILE 83 HA ILE 83 -4.015 6.414 2.499 575 HB ILE 83 HB ILE 83 -1.356 7.259 3.634 576 HG12 ILE 83 1HG1 ILE 83 -1.899 4.801 1.958 577 HG13 ILE 83 2HG1 ILE 83 -1.120 6.255 1.343 578 HG21 ILE 83 1HG2 ILE 83 -3.032 4.798 4.107 579 HG22 ILE 83 2HG2 ILE 83 -1.545 5.241 4.945 580 HG23 ILE 83 3HG2 ILE 83 -3.000 6.216 5.155 581 HD11 ILE 83 1HD1 ILE 83 0.841 5.594 2.117 582 HD12 ILE 83 2HD1 ILE 83 0.184 5.360 3.738 583 HD13 ILE 83 3HD1 ILE 83 0.091 4.058 2.552 584 H ARG 84 H ARG 84 -2.208 9.390 3.264 585 HA ARG 84 HA ARG 84 -3.474 9.988 5.670 586 HB2 ARG 84 1HB ARG 84 -2.391 12.010 5.580 587 HB3 ARG 84 2HB ARG 84 -1.445 11.106 4.406 588 HG2 ARG 84 1HG ARG 84 -2.678 12.112 2.584 589 HG3 ARG 84 2HG ARG 84 -3.719 12.959 3.730 590 HD2 ARG 84 1HD ARG 84 -0.754 13.324 3.845 591 HD3 ARG 84 2HD ARG 84 -1.703 14.198 2.643 592 HE ARG 84 HE ARG 84 -1.530 14.774 5.419 593 HH11 ARG 84 2HH1 ARG 84 -3.718 14.811 2.711 594 HH12 ARG 84 1HH1 ARG 84 -4.698 16.086 3.354 595 HH21 ARG 84 2HH2 ARG 84 -2.813 16.454 6.276 596 HH22 ARG 84 1HH2 ARG 84 -4.183 17.021 5.381 597 H ALA 85 H ALA 85 -4.403 10.757 2.353 598 HA ALA 85 HA ALA 85 -6.718 12.271 3.206 599 HB1 ALA 85 1HB ALA 85 -6.428 11.410 0.386 600 HB2 ALA 85 2HB ALA 85 -6.904 12.972 1.054 601 HB3 ALA 85 3HB ALA 85 -5.204 12.503 1.032 602 H GLY 86 H GLY 86 -6.179 9.167 3.478 603 HA2 GLY 86 1HA GLY 86 -8.533 8.110 2.143 604 HA3 GLY 86 2HA GLY 86 -7.386 7.200 3.115 605 H GLY 87 H GLY 87 -8.613 10.109 4.480 606 HA2 GLY 87 1HA GLY 87 -10.143 10.522 6.149 607 HA3 GLY 87 2HA GLY 87 -10.948 9.026 5.698 608 HA PRO 88 HA PRO 88 -9.228 8.386 9.922 609 HB2 PRO 88 1HB PRO 88 -11.381 6.999 10.823 610 HB3 PRO 88 2HB PRO 88 -11.297 8.765 10.848 611 HG2 PRO 88 1HG PRO 88 -12.652 6.960 8.881 612 HG3 PRO 88 2HG PRO 88 -13.240 8.469 9.605 613 HD2 PRO 88 1HD PRO 88 -12.205 8.359 7.105 614 HD3 PRO 88 2HD PRO 88 -12.033 9.785 8.148 615 H GLN 89 H GLN 89 -10.595 6.269 7.506 616 HA GLN 89 HA GLN 89 -9.319 3.935 8.731 617 HB2 GLN 89 1HB GLN 89 -11.450 4.303 6.662 618 HB3 GLN 89 2HB GLN 89 -10.532 2.803 6.699 619 HG2 GLN 89 1HG GLN 89 -12.364 2.294 7.992 620 HG3 GLN 89 2HG GLN 89 -11.168 2.755 9.202 621 HE21 GLN 89 1HE2 GLN 89 -11.414 4.673 10.325 622 HE22 GLN 89 2HE2 GLN 89 -12.896 5.562 10.328 623 H LEU 90 H LEU 90 -7.916 2.579 7.522 624 HA LEU 90 HA LEU 90 -6.606 3.936 5.257 625 HB2 LEU 90 1HB LEU 90 -4.966 4.055 6.844 626 HB3 LEU 90 2HB LEU 90 -5.499 2.587 7.660 627 HG LEU 90 HG LEU 90 -4.094 2.554 4.998 628 HD11 LEU 90 1HD1 LEU 90 -2.216 1.699 6.711 629 HD12 LEU 90 2HD1 LEU 90 -3.015 2.903 7.721 630 HD13 LEU 90 3HD1 LEU 90 -2.341 3.369 6.159 631 HD21 LEU 90 1HD2 LEU 90 -3.549 0.244 6.394 632 HD22 LEU 90 2HD2 LEU 90 -4.742 0.422 5.107 633 HD23 LEU 90 3HD2 LEU 90 -5.236 0.571 6.794 634 H HIS 91 H HIS 91 -6.280 2.788 3.436 635 HA HIS 91 HA HIS 91 -6.798 -0.108 3.514 636 HB2 HIS 91 1HB HIS 91 -8.734 1.263 2.600 637 HB3 HIS 91 2HB HIS 91 -7.682 1.683 1.251 638 HD1 HIS 91 1HD HIS 91 -7.413 -0.025 -0.588 639 HD2 HIS 91 2HD HIS 91 -9.453 -1.510 2.713 640 HE1 HIS 91 1HE HIS 91 -8.316 -2.260 -1.305 641 HE2 HIS 91 2HE HIS 91 -9.618 -3.101 0.680 642 H LEU 92 H LEU 92 -4.857 -0.978 3.132 643 HA LEU 92 HA LEU 92 -3.309 0.063 0.850 644 HB2 LEU 92 1HB LEU 92 -2.140 -1.364 3.224 645 HB3 LEU 92 2HB LEU 92 -1.284 -0.488 1.956 646 HG LEU 92 HG LEU 92 -3.060 0.777 4.043 647 HD11 LEU 92 1HD1 LEU 92 -0.056 0.631 3.841 648 HD12 LEU 92 2HD1 LEU 92 -1.066 -0.134 5.067 649 HD13 LEU 92 3HD1 LEU 92 -0.954 1.624 4.989 650 HD21 LEU 92 1HD2 LEU 92 -1.947 1.726 1.560 651 HD22 LEU 92 2HD2 LEU 92 -1.311 2.643 2.926 652 HD23 LEU 92 3HD2 LEU 92 -3.054 2.527 2.675 653 H VAL 93 H VAL 93 -3.169 -1.303 -0.792 654 HA VAL 93 HA VAL 93 -3.909 -4.087 -0.441 655 HB VAL 93 HB VAL 93 -3.021 -2.819 -3.022 656 HG11 VAL 93 1HG1 VAL 93 -4.239 -4.542 -4.070 657 HG12 VAL 93 2HG1 VAL 93 -3.343 -5.325 -2.767 658 HG13 VAL 93 3HG1 VAL 93 -5.062 -4.980 -2.573 659 HG21 VAL 93 1HG2 VAL 93 -5.561 -2.456 -1.518 660 HG22 VAL 93 2HG2 VAL 93 -4.684 -1.322 -2.545 661 HG23 VAL 93 3HG2 VAL 93 -5.643 -2.611 -3.273 662 H ILE 94 H ILE 94 -2.387 -5.439 0.259 663 HA ILE 94 HA ILE 94 0.326 -5.188 -0.866 664 HB ILE 94 HB ILE 94 -0.393 -6.434 1.787 665 HG12 ILE 94 1HG1 ILE 94 -0.829 -4.032 1.857 666 HG13 ILE 94 2HG1 ILE 94 0.605 -4.418 2.802 667 HG21 ILE 94 1HG2 ILE 94 2.307 -5.592 0.758 668 HG22 ILE 94 2HG2 ILE 94 1.943 -6.552 2.192 669 HG23 ILE 94 3HG2 ILE 94 1.670 -7.228 0.586 670 HD11 ILE 94 1HD1 ILE 94 1.742 -2.919 1.651 671 HD12 ILE 94 2HD1 ILE 94 1.453 -3.835 0.172 672 HD13 ILE 94 3HD1 ILE 94 0.320 -2.577 0.665 673 H ARG 95 H ARG 95 1.386 -7.043 -1.545 674 HA ARG 95 HA ARG 95 -0.177 -9.533 -1.551 675 HB2 ARG 95 1HB ARG 95 -0.540 -8.635 -3.728 676 HB3 ARG 95 2HB ARG 95 1.154 -8.198 -3.903 677 HG2 ARG 95 1HG ARG 95 1.791 -10.506 -4.071 678 HG3 ARG 95 2HG ARG 95 0.143 -11.026 -3.713 679 HD2 ARG 95 1HD ARG 95 -0.664 -10.141 -5.774 680 HD3 ARG 95 2HD ARG 95 0.867 -9.327 -6.091 681 HE ARG 95 HE ARG 95 1.321 -12.090 -5.854 682 HH11 ARG 95 2HH1 ARG 95 -0.168 -9.784 -7.995 683 HH12 ARG 95 1HH1 ARG 95 0.089 -10.742 -9.416 684 HH21 ARG 95 2HH2 ARG 95 1.665 -13.360 -7.717 685 HH22 ARG 95 1HH2 ARG 95 1.130 -12.776 -9.256 686 H ARG 96 H ARG 96 1.048 -10.684 -0.151 687 HA ARG 96 HA ARG 96 3.773 -10.561 0.253 688 HB2 ARG 96 1HB ARG 96 2.187 -11.790 1.699 689 HB3 ARG 96 2HB ARG 96 2.036 -13.027 0.458 690 HG2 ARG 96 1HG ARG 96 4.412 -13.553 0.693 691 HG3 ARG 96 2HG ARG 96 4.558 -12.315 1.942 692 HD2 ARG 96 1HD ARG 96 2.741 -14.717 2.092 693 HD3 ARG 96 2HD ARG 96 4.327 -14.605 2.854 694 HE ARG 96 HE ARG 96 2.679 -12.440 3.645 695 HH11 ARG 96 2HH1 ARG 96 3.179 -15.848 4.152 696 HH12 ARG 96 1HH1 ARG 96 2.527 -15.838 5.757 697 HH21 ARG 96 2HH2 ARG 96 1.818 -12.414 5.757 698 HH22 ARG 96 1HH2 ARG 96 1.752 -13.884 6.668 699 HA PRO 97 HA PRO 97 5.118 -12.102 -3.747 700 HB2 PRO 97 1HB PRO 97 7.742 -11.537 -3.340 701 HB3 PRO 97 2HB PRO 97 6.557 -10.312 -3.809 702 HG2 PRO 97 1HG PRO 97 7.662 -10.939 -1.099 703 HG3 PRO 97 2HG PRO 97 7.372 -9.359 -1.851 704 HD2 PRO 97 1HD PRO 97 5.676 -10.445 -0.040 705 HD3 PRO 97 2HD PRO 97 5.119 -9.401 -1.364 706 H LEU 98 H LEU 98 7.432 -13.360 -4.153 707 HA LEU 98 HA LEU 98 7.085 -15.838 -2.688 708 HB2 LEU 98 1HB LEU 98 7.306 -15.878 -5.119 709 HB3 LEU 98 2HB LEU 98 8.900 -15.138 -4.992 710 HG LEU 98 HG LEU 98 8.424 -17.743 -3.625 711 HD11 LEU 98 1HD1 LEU 98 7.769 -18.717 -5.519 712 HD12 LEU 98 2HD1 LEU 98 9.422 -18.467 -6.080 713 HD13 LEU 98 3HD1 LEU 98 8.165 -17.299 -6.490 714 HD21 LEU 98 1HD2 LEU 98 10.836 -17.119 -5.217 715 HD22 LEU 98 2HD2 LEU 98 10.683 -17.905 -3.646 716 HD23 LEU 98 3HD2 LEU 98 10.568 -16.149 -3.769 717 H SER 99 H SER 99 8.403 -16.608 -1.155 718 HA SER 99 HA SER 99 10.534 -14.914 -0.186 719 HB2 SER 99 1HB SER 99 10.702 -16.685 1.614 720 HB3 SER 99 2HB SER 99 9.132 -15.891 1.490 721 HG SER 99 HG SER 99 8.494 -17.916 1.445 722 H GLY 100 H GLY 100 10.310 -18.358 -1.109 723 HA2 GLY 100 1HA GLY 100 11.884 -19.307 -2.680 724 HA3 GLY 100 2HA GLY 100 13.081 -18.159 -2.098 725 HA PRO 101 HA PRO 101 13.144 -22.375 0.186 726 HB2 PRO 101 1HB PRO 101 15.071 -23.651 -1.238 727 HB3 PRO 101 2HB PRO 101 13.349 -23.794 -1.610 728 HG2 PRO 101 1HG PRO 101 15.429 -22.071 -2.900 729 HG3 PRO 101 2HG PRO 101 14.144 -23.030 -3.657 730 HD2 PRO 101 1HD PRO 101 13.941 -20.355 -3.289 731 HD3 PRO 101 2HD PRO 101 12.534 -21.435 -3.237 732 H SER 102 H SER 102 14.350 -22.193 1.958 733 HA SER 102 HA SER 102 16.953 -20.840 1.763 734 HB2 SER 102 1HB SER 102 14.937 -21.080 3.981 735 HB3 SER 102 2HB SER 102 16.616 -20.673 4.332 736 HG SER 102 HG SER 102 14.637 -19.160 3.154 737 H SER 103 H SER 103 18.789 -21.738 2.652 738 HA SER 103 HA SER 103 18.803 -24.608 2.838 739 HB2 SER 103 1HB SER 103 20.631 -22.970 1.878 740 HB3 SER 103 2HB SER 103 21.184 -22.937 3.552 741 HG SER 103 HG SER 103 21.818 -24.714 1.817 742 H GLY 104 H GLY 104 19.907 -22.033 5.056 743 HA2 GLY 104 1HA GLY 104 18.620 -23.069 7.328 744 HA3 GLY 104 2HA GLY 104 20.255 -23.713 7.281 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -11.898 -5.643 11.040 2 HA2 GLY 1 1HA GLY 1 -11.150 -3.886 8.923 3 HA3 GLY 1 2HA GLY 1 -10.841 -5.561 8.488 4 H SER 2 H SER 2 -13.271 -3.162 9.142 5 HA SER 2 HA SER 2 -15.593 -4.606 9.266 6 HB2 SER 2 1HB SER 2 -14.909 -1.939 8.103 7 HB3 SER 2 2HB SER 2 -16.517 -2.599 7.804 8 HG SER 2 HG SER 2 -16.967 -1.865 9.715 9 H SER 3 H SER 3 -17.292 -4.677 7.430 10 HA SER 3 HA SER 3 -16.238 -6.415 5.402 11 HB2 SER 3 1HB SER 3 -18.375 -6.984 6.333 12 HB3 SER 3 2HB SER 3 -19.026 -5.387 5.964 13 HG SER 3 HG SER 3 -18.732 -7.590 4.345 14 H GLY 4 H GLY 4 -16.613 -6.143 3.103 15 HA2 GLY 4 1HA GLY 4 -17.522 -4.060 1.672 16 HA3 GLY 4 2HA GLY 4 -15.994 -3.432 2.272 17 H SER 5 H SER 5 -17.531 -5.434 -0.037 18 HA SER 5 HA SER 5 -16.737 -6.859 -1.661 19 HB2 SER 5 1HB SER 5 -14.864 -4.490 -1.822 20 HB3 SER 5 2HB SER 5 -14.959 -5.744 -3.058 21 HG SER 5 HG SER 5 -17.346 -4.550 -2.264 22 H SER 6 H SER 6 -15.812 -7.685 0.832 23 HA SER 6 HA SER 6 -13.096 -8.628 0.183 24 HB2 SER 6 1HB SER 6 -14.294 -8.061 2.904 25 HB3 SER 6 2HB SER 6 -12.724 -8.820 2.642 26 HG SER 6 HG SER 6 -13.141 -6.296 2.844 27 H GLY 7 H GLY 7 -13.396 -10.623 -0.622 28 HA2 GLY 7 1HA GLY 7 -13.780 -12.866 0.801 29 HA3 GLY 7 2HA GLY 7 -15.435 -12.378 0.465 30 H GLN 8 H GLN 8 -12.561 -12.130 -1.598 31 HA GLN 8 HA GLN 8 -13.805 -14.054 -3.442 32 HB2 GLN 8 1HB GLN 8 -12.522 -11.417 -4.171 33 HB3 GLN 8 2HB GLN 8 -13.001 -12.647 -5.333 34 HG2 GLN 8 1HG GLN 8 -15.246 -12.261 -5.026 35 HG3 GLN 8 2HG GLN 8 -15.017 -11.581 -3.416 36 HE21 GLN 8 1HE2 GLN 8 -14.455 -9.432 -3.195 37 HE22 GLN 8 2HE2 GLN 8 -14.548 -8.306 -4.501 38 H ALA 9 H ALA 9 -12.081 -14.529 -5.281 39 HA ALA 9 HA ALA 9 -9.693 -15.440 -3.859 40 HB1 ALA 9 1HB ALA 9 -10.093 -17.312 -4.981 41 HB2 ALA 9 2HB ALA 9 -11.348 -16.525 -5.939 42 HB3 ALA 9 3HB ALA 9 -9.666 -16.461 -6.467 43 H SER 10 H SER 10 -8.076 -14.009 -3.888 44 HA SER 10 HA SER 10 -7.178 -12.999 -6.483 45 HB2 SER 10 1HB SER 10 -8.613 -11.269 -5.238 46 HB3 SER 10 2HB SER 10 -7.275 -11.161 -4.095 47 HG SER 10 HG SER 10 -7.508 -10.111 -6.590 48 H GLY 11 H GLY 11 -4.948 -12.137 -6.396 49 HA2 GLY 11 1HA GLY 11 -3.300 -13.889 -4.794 50 HA3 GLY 11 2HA GLY 11 -2.743 -12.764 -6.024 51 H HIS 12 H HIS 12 -4.153 -10.493 -4.813 52 HA HIS 12 HA HIS 12 -2.230 -9.977 -2.659 53 HB2 HIS 12 1HB HIS 12 -3.034 -7.548 -3.069 54 HB3 HIS 12 2HB HIS 12 -1.986 -8.301 -4.268 55 HD1 HIS 12 1HD HIS 12 -5.459 -7.046 -3.757 56 HD2 HIS 12 2HD HIS 12 -3.202 -8.851 -6.742 57 HE1 HIS 12 1HE HIS 12 -6.818 -6.813 -5.861 58 HE2 HIS 12 2HE HIS 12 -5.471 -7.988 -7.636 59 H PHE 13 H PHE 13 -3.076 -8.379 -0.960 60 HA PHE 13 HA PHE 13 -5.866 -8.960 -0.256 61 HB2 PHE 13 1HB PHE 13 -5.175 -9.314 2.106 62 HB3 PHE 13 2HB PHE 13 -4.541 -10.542 1.015 63 HD1 PHE 13 2HD PHE 13 -3.697 -7.611 3.057 64 HD2 PHE 13 1HD PHE 13 -2.195 -10.766 0.627 65 HE1 PHE 13 2HE PHE 13 -1.421 -7.149 3.869 66 HE2 PHE 13 1HE PHE 13 0.083 -10.310 1.436 67 HZ PHE 13 HZ PHE 13 0.473 -8.499 3.058 68 H SER 14 H SER 14 -6.504 -7.574 1.729 69 HA SER 14 HA SER 14 -5.416 -4.865 1.320 70 HB2 SER 14 1HB SER 14 -7.728 -4.130 2.149 71 HB3 SER 14 2HB SER 14 -7.648 -4.832 0.533 72 HG SER 14 HG SER 14 -9.338 -5.615 2.079 73 H VAL 15 H VAL 15 -5.500 -3.425 3.183 74 HA VAL 15 HA VAL 15 -5.421 -4.847 5.760 75 HB VAL 15 HB VAL 15 -3.540 -2.590 5.112 76 HG11 VAL 15 1HG1 VAL 15 -3.786 -2.962 7.446 77 HG12 VAL 15 2HG1 VAL 15 -3.648 -4.710 7.247 78 HG13 VAL 15 3HG1 VAL 15 -2.245 -3.677 6.972 79 HG21 VAL 15 1HG2 VAL 15 -3.472 -5.205 4.000 80 HG22 VAL 15 2HG2 VAL 15 -2.291 -3.906 3.831 81 HG23 VAL 15 3HG2 VAL 15 -2.149 -5.060 5.157 82 H GLU 16 H GLU 16 -6.712 -3.982 7.241 83 HA GLU 16 HA GLU 16 -7.656 -1.225 6.833 84 HB2 GLU 16 1HB GLU 16 -8.943 -3.489 8.371 85 HB3 GLU 16 2HB GLU 16 -9.607 -1.870 8.196 86 HG2 GLU 16 1HG GLU 16 -8.965 -3.435 5.749 87 HG3 GLU 16 2HG GLU 16 -10.414 -3.834 6.670 88 H LEU 17 H LEU 17 -7.112 0.289 8.259 89 HA LEU 17 HA LEU 17 -6.272 -0.531 10.953 90 HB2 LEU 17 1HB LEU 17 -4.880 1.475 9.186 91 HB3 LEU 17 2HB LEU 17 -4.491 1.170 10.878 92 HG LEU 17 HG LEU 17 -4.133 -0.734 8.567 93 HD11 LEU 17 1HD1 LEU 17 -1.925 0.110 10.347 94 HD12 LEU 17 2HD1 LEU 17 -2.526 1.294 9.187 95 HD13 LEU 17 3HD1 LEU 17 -1.917 -0.262 8.623 96 HD21 LEU 17 1HD2 LEU 17 -4.258 -1.171 11.469 97 HD22 LEU 17 2HD2 LEU 17 -2.847 -1.863 10.669 98 HD23 LEU 17 3HD2 LEU 17 -4.469 -2.307 10.136 99 H VAL 18 H VAL 18 -6.447 1.138 12.571 100 HA VAL 18 HA VAL 18 -8.457 3.177 11.869 101 HB VAL 18 HB VAL 18 -8.022 1.841 14.544 102 HG11 VAL 18 1HG1 VAL 18 -8.957 3.741 15.293 103 HG12 VAL 18 2HG1 VAL 18 -9.545 4.201 13.694 104 HG13 VAL 18 3HG1 VAL 18 -10.452 3.045 14.669 105 HG21 VAL 18 1HG2 VAL 18 -9.792 1.263 12.253 106 HG22 VAL 18 2HG2 VAL 18 -9.142 0.183 13.486 107 HG23 VAL 18 3HG2 VAL 18 -10.536 1.199 13.851 108 H ARG 19 H ARG 19 -7.607 5.144 11.788 109 HA ARG 19 HA ARG 19 -5.170 6.042 12.467 110 HB2 ARG 19 1HB ARG 19 -7.057 7.351 11.393 111 HB3 ARG 19 2HB ARG 19 -7.630 7.698 13.019 112 HG2 ARG 19 1HG ARG 19 -5.529 8.819 13.533 113 HG3 ARG 19 2HG ARG 19 -4.933 8.451 11.913 114 HD2 ARG 19 1HD ARG 19 -6.458 9.905 10.898 115 HD3 ARG 19 2HD ARG 19 -7.486 9.968 12.329 116 HE ARG 19 HE ARG 19 -4.955 11.014 12.959 117 HH11 ARG 19 2HH1 ARG 19 -7.793 11.777 11.093 118 HH12 ARG 19 1HH1 ARG 19 -7.576 13.491 11.221 119 HH21 ARG 19 2HH2 ARG 19 -4.658 13.269 13.135 120 HH22 ARG 19 1HH2 ARG 19 -5.792 14.339 12.382 121 H GLY 20 H GLY 20 -4.039 5.732 14.272 122 HA2 GLY 20 1HA GLY 20 -5.255 5.394 16.835 123 HA3 GLY 20 2HA GLY 20 -3.532 5.496 16.507 124 H TYR 21 H TYR 21 -3.083 6.836 18.241 125 HA TYR 21 HA TYR 21 -4.513 9.217 18.802 126 HB2 TYR 21 1HB TYR 21 -3.038 7.943 20.409 127 HB3 TYR 21 2HB TYR 21 -1.651 8.621 19.563 128 HD1 TYR 21 2HD TYR 21 -1.766 11.278 19.293 129 HD2 TYR 21 1HD TYR 21 -3.772 9.036 22.302 130 HE1 TYR 21 2HE TYR 21 -1.881 13.288 20.706 131 HE2 TYR 21 1HE TYR 21 -3.894 11.040 23.722 132 HH TYR 21 HH TYR 21 -2.825 14.190 22.551 133 H ALA 22 H ALA 22 -1.260 8.753 17.409 134 HA ALA 22 HA ALA 22 -1.639 11.277 15.937 135 HB1 ALA 22 1HB ALA 22 1.074 10.403 16.841 136 HB2 ALA 22 2HB ALA 22 0.499 12.016 16.418 137 HB3 ALA 22 3HB ALA 22 0.007 11.276 17.941 138 H GLY 23 H GLY 23 -2.285 10.162 14.068 139 HA2 GLY 23 1HA GLY 23 -1.749 9.426 11.933 140 HA3 GLY 23 2HA GLY 23 -0.085 9.213 12.458 141 H PHE 24 H PHE 24 -0.452 7.256 11.034 142 HA PHE 24 HA PHE 24 -1.876 5.096 12.392 143 HB2 PHE 24 1HB PHE 24 -0.710 5.411 9.637 144 HB3 PHE 24 2HB PHE 24 -1.159 3.826 10.257 145 HD1 PHE 24 2HD PHE 24 -2.394 7.082 9.145 146 HD2 PHE 24 1HD PHE 24 -3.469 3.223 10.580 147 HE1 PHE 24 2HE PHE 24 -4.722 7.480 8.457 148 HE2 PHE 24 1HE PHE 24 -5.800 3.613 9.894 149 HZ PHE 24 HZ PHE 24 -6.429 5.745 8.833 150 H GLY 25 H GLY 25 1.368 6.029 11.372 151 HA2 GLY 25 1HA GLY 25 3.321 5.443 12.577 152 HA3 GLY 25 2HA GLY 25 2.455 4.078 13.268 153 H LEU 26 H LEU 26 2.382 4.771 9.848 154 HA LEU 26 HA LEU 26 4.103 2.424 9.387 155 HB2 LEU 26 1HB LEU 26 1.673 2.083 8.902 156 HB3 LEU 26 2HB LEU 26 1.806 3.325 7.659 157 HG LEU 26 HG LEU 26 3.411 1.916 6.442 158 HD11 LEU 26 1HD1 LEU 26 2.898 -0.581 7.722 159 HD12 LEU 26 2HD1 LEU 26 3.565 0.546 8.903 160 HD13 LEU 26 3HD1 LEU 26 4.443 0.212 7.411 161 HD21 LEU 26 1HD2 LEU 26 1.608 -0.097 6.257 162 HD22 LEU 26 2HD2 LEU 26 1.436 1.470 5.466 163 HD23 LEU 26 3HD2 LEU 26 0.626 1.164 7.004 164 H THR 27 H THR 27 5.853 2.761 8.187 165 HA THR 27 HA THR 27 5.939 5.163 6.479 166 HB THR 27 HB THR 27 8.300 3.967 7.940 167 HG1 THR 27 1HG THR 27 7.981 5.467 9.483 168 HG21 THR 27 1HG2 THR 27 8.972 5.135 5.946 169 HG22 THR 27 2HG2 THR 27 9.351 6.149 7.338 170 HG23 THR 27 3HG2 THR 27 7.937 6.505 6.347 171 H LEU 28 H LEU 28 6.724 4.940 4.440 172 HA LEU 28 HA LEU 28 7.264 2.205 3.547 173 HB2 LEU 28 1HB LEU 28 6.267 4.687 2.248 174 HB3 LEU 28 2HB LEU 28 7.123 3.512 1.252 175 HG LEU 28 HG LEU 28 4.763 2.724 2.934 176 HD11 LEU 28 1HD1 LEU 28 4.687 4.565 0.808 177 HD12 LEU 28 2HD1 LEU 28 3.332 3.763 1.601 178 HD13 LEU 28 3HD1 LEU 28 4.077 3.036 0.178 179 HD21 LEU 28 1HD2 LEU 28 4.593 0.978 1.161 180 HD22 LEU 28 2HD2 LEU 28 6.069 0.890 2.124 181 HD23 LEU 28 3HD2 LEU 28 6.115 1.574 0.498 182 H GLY 29 H GLY 29 9.105 1.630 2.418 183 HA2 GLY 29 1HA GLY 29 11.258 3.656 2.389 184 HA3 GLY 29 2HA GLY 29 11.537 1.986 2.859 185 H GLY 30 H GLY 30 11.438 4.207 0.288 186 HA2 GLY 30 1HA GLY 30 12.770 3.370 -1.667 187 HA3 GLY 30 2HA GLY 30 11.672 1.997 -1.660 188 H GLY 31 H GLY 31 10.535 2.165 -3.494 189 HA2 GLY 31 1HA GLY 31 8.674 2.992 -4.669 190 HA3 GLY 31 2HA GLY 31 8.842 4.519 -3.816 191 H ARG 32 H ARG 32 8.352 4.628 -6.457 192 HA ARG 32 HA ARG 32 10.707 4.681 -8.061 193 HB2 ARG 32 1HB ARG 32 8.353 4.404 -8.915 194 HB3 ARG 32 2HB ARG 32 8.102 6.114 -8.589 195 HG2 ARG 32 1HG ARG 32 10.361 5.215 -10.330 196 HG3 ARG 32 2HG ARG 32 8.725 5.365 -10.975 197 HD2 ARG 32 1HD ARG 32 8.849 7.723 -9.806 198 HD3 ARG 32 2HD ARG 32 10.584 7.469 -9.984 199 HE ARG 32 HE ARG 32 8.750 8.158 -12.037 200 HH11 ARG 32 2HH1 ARG 32 11.621 6.293 -11.405 201 HH12 ARG 32 1HH1 ARG 32 12.197 6.384 -13.036 202 HH21 ARG 32 2HH2 ARG 32 9.498 8.286 -14.188 203 HH22 ARG 32 1HH2 ARG 32 10.990 7.519 -14.618 204 H ASP 33 H ASP 33 12.311 6.052 -7.626 205 HA ASP 33 HA ASP 33 11.621 8.874 -7.132 206 HB2 ASP 33 1HB ASP 33 12.595 7.561 -5.154 207 HB3 ASP 33 2HB ASP 33 14.107 7.554 -6.057 208 H VAL 34 H VAL 34 12.819 10.426 -8.182 209 HA VAL 34 HA VAL 34 13.869 9.838 -10.687 210 HB VAL 34 HB VAL 34 13.090 12.092 -9.913 211 HG11 VAL 34 1HG1 VAL 34 15.181 11.733 -8.033 212 HG12 VAL 34 2HG1 VAL 34 15.591 13.121 -9.042 213 HG13 VAL 34 3HG1 VAL 34 14.054 13.082 -8.178 214 HG21 VAL 34 1HG2 VAL 34 14.171 11.939 -12.029 215 HG22 VAL 34 2HG2 VAL 34 14.839 13.348 -11.205 216 HG23 VAL 34 3HG2 VAL 34 15.764 11.848 -11.278 217 H ALA 35 H ALA 35 15.304 9.483 -7.619 218 HA ALA 35 HA ALA 35 18.020 9.486 -8.720 219 HB1 ALA 35 1HB ALA 35 18.486 10.437 -6.766 220 HB2 ALA 35 2HB ALA 35 16.882 10.068 -6.133 221 HB3 ALA 35 3HB ALA 35 18.175 8.875 -6.009 222 H GLY 36 H GLY 36 15.490 7.362 -7.892 223 HA2 GLY 36 1HA GLY 36 16.900 5.073 -8.761 224 HA3 GLY 36 2HA GLY 36 16.846 5.090 -7.004 225 H ASP 37 H ASP 37 15.461 3.632 -9.447 226 HA ASP 37 HA ASP 37 12.680 3.948 -8.628 227 HB2 ASP 37 1HB ASP 37 12.152 2.521 -10.540 228 HB3 ASP 37 2HB ASP 37 13.205 3.844 -11.034 229 H THR 38 H THR 38 11.963 2.793 -6.975 230 HA THR 38 HA THR 38 12.723 -0.030 -6.779 231 HB THR 38 HB THR 38 12.935 0.169 -4.309 232 HG1 THR 38 1HG THR 38 13.156 2.253 -3.424 233 HG21 THR 38 1HG2 THR 38 15.119 0.217 -4.739 234 HG22 THR 38 2HG2 THR 38 15.052 1.974 -4.873 235 HG23 THR 38 3HG2 THR 38 14.805 0.970 -6.301 236 HA PRO 39 HA PRO 39 8.403 -0.599 -6.148 237 HB2 PRO 39 1HB PRO 39 8.458 -3.038 -4.957 238 HB3 PRO 39 2HB PRO 39 8.768 -2.804 -6.682 239 HG2 PRO 39 1HG PRO 39 10.717 -3.160 -4.437 240 HG3 PRO 39 2HG PRO 39 10.733 -3.879 -6.058 241 HD2 PRO 39 1HD PRO 39 12.265 -1.747 -5.395 242 HD3 PRO 39 2HD PRO 39 11.610 -1.981 -7.028 243 H LEU 40 H LEU 40 7.362 0.585 -4.668 244 HA LEU 40 HA LEU 40 8.098 1.232 -2.126 245 HB2 LEU 40 1HB LEU 40 5.484 1.025 -3.510 246 HB3 LEU 40 2HB LEU 40 5.460 1.218 -1.759 247 HG LEU 40 HG LEU 40 6.802 3.112 -3.688 248 HD11 LEU 40 1HD1 LEU 40 4.048 2.904 -2.700 249 HD12 LEU 40 2HD1 LEU 40 4.691 3.739 -4.113 250 HD13 LEU 40 3HD1 LEU 40 4.782 4.498 -2.525 251 HD21 LEU 40 1HD2 LEU 40 6.843 4.592 -1.679 252 HD22 LEU 40 2HD2 LEU 40 7.889 3.177 -1.560 253 HD23 LEU 40 3HD2 LEU 40 6.343 3.205 -0.711 254 H ALA 41 H ALA 41 8.257 0.232 -0.223 255 HA ALA 41 HA ALA 41 6.631 -2.094 0.382 256 HB1 ALA 41 1HB ALA 41 8.213 -3.690 0.347 257 HB2 ALA 41 2HB ALA 41 9.022 -2.602 -0.782 258 HB3 ALA 41 3HB ALA 41 9.474 -2.600 0.923 259 H VAL 42 H VAL 42 6.411 -2.483 2.575 260 HA VAL 42 HA VAL 42 6.522 -0.399 4.344 261 HB VAL 42 HB VAL 42 6.777 -3.333 5.020 262 HG11 VAL 42 1HG1 VAL 42 7.146 -1.205 6.720 263 HG12 VAL 42 2HG1 VAL 42 5.440 -1.599 6.943 264 HG13 VAL 42 3HG1 VAL 42 6.672 -2.836 7.196 265 HG21 VAL 42 1HG2 VAL 42 4.613 -1.749 3.981 266 HG22 VAL 42 2HG2 VAL 42 4.684 -3.485 4.283 267 HG23 VAL 42 3HG2 VAL 42 4.202 -2.385 5.574 268 H ARG 43 H ARG 43 8.003 0.537 5.633 269 HA ARG 43 HA ARG 43 10.737 -0.544 5.541 270 HB2 ARG 43 1HB ARG 43 10.180 1.798 4.619 271 HB3 ARG 43 2HB ARG 43 10.020 2.275 6.304 272 HG2 ARG 43 1HG ARG 43 12.498 0.875 5.426 273 HG3 ARG 43 2HG ARG 43 12.281 2.582 5.034 274 HD2 ARG 43 1HD ARG 43 12.175 3.199 7.298 275 HD3 ARG 43 2HD ARG 43 11.907 1.538 7.823 276 HE ARG 43 HE ARG 43 14.397 1.681 6.551 277 HH11 ARG 43 2HH1 ARG 43 12.816 2.808 9.441 278 HH12 ARG 43 1HH1 ARG 43 14.274 2.859 10.375 279 HH21 ARG 43 2HH2 ARG 43 16.324 1.745 7.770 280 HH22 ARG 43 1HH2 ARG 43 16.269 2.256 9.424 281 H GLY 44 H GLY 44 8.966 1.619 7.758 282 HA2 GLY 44 1HA GLY 44 9.966 -0.048 9.985 283 HA3 GLY 44 2HA GLY 44 9.841 1.702 10.076 284 H LEU 45 H LEU 45 8.640 -0.328 11.799 285 HA LEU 45 HA LEU 45 5.800 0.315 11.347 286 HB2 LEU 45 1HB LEU 45 7.122 -2.162 12.379 287 HB3 LEU 45 2HB LEU 45 5.473 -1.770 12.863 288 HG LEU 45 HG LEU 45 6.218 -1.925 9.964 289 HD11 LEU 45 1HD1 LEU 45 6.061 -4.130 11.894 290 HD12 LEU 45 2HD1 LEU 45 6.812 -4.062 10.300 291 HD13 LEU 45 3HD1 LEU 45 5.076 -4.334 10.445 292 HD21 LEU 45 1HD2 LEU 45 3.885 -2.372 9.669 293 HD22 LEU 45 2HD2 LEU 45 4.046 -0.952 10.702 294 HD23 LEU 45 3HD2 LEU 45 3.640 -2.517 11.410 295 H LEU 46 H LEU 46 5.211 1.874 12.701 296 HA LEU 46 HA LEU 46 6.523 2.735 14.967 297 HB2 LEU 46 1HB LEU 46 4.475 3.687 13.619 298 HB3 LEU 46 2HB LEU 46 3.548 2.885 14.885 299 HG LEU 46 HG LEU 46 3.759 5.137 15.548 300 HD11 LEU 46 1HD1 LEU 46 5.256 4.994 17.556 301 HD12 LEU 46 2HD1 LEU 46 5.768 3.410 16.975 302 HD13 LEU 46 3HD1 LEU 46 4.079 3.688 17.402 303 HD21 LEU 46 1HD2 LEU 46 6.737 4.950 15.122 304 HD22 LEU 46 2HD2 LEU 46 5.808 6.378 15.582 305 HD23 LEU 46 3HD2 LEU 46 5.612 5.677 13.975 306 H LYS 47 H LYS 47 7.093 1.446 16.604 307 HA LYS 47 HA LYS 47 5.945 -0.882 17.471 308 HB2 LYS 47 1HB LYS 47 8.116 0.335 18.234 309 HB3 LYS 47 2HB LYS 47 7.086 1.048 19.468 310 HG2 LYS 47 1HG LYS 47 7.036 -1.903 19.124 311 HG3 LYS 47 2HG LYS 47 8.434 -1.165 19.909 312 HD2 LYS 47 1HD LYS 47 7.177 -0.368 21.685 313 HD3 LYS 47 2HD LYS 47 5.666 -0.427 20.773 314 HE2 LYS 47 1HE LYS 47 5.463 -2.222 22.229 315 HE3 LYS 47 2HE LYS 47 6.052 -2.981 20.752 316 HZ1 LYS 47 1HZ LYS 47 7.465 -3.894 22.259 317 HZ2 LYS 47 2HZ LYS 47 7.423 -2.563 23.301 318 HZ3 LYS 47 3HZ LYS 47 8.356 -2.504 21.890 319 H ASP 48 H ASP 48 4.333 -1.486 18.849 320 HA ASP 48 HA ASP 48 2.321 -1.364 19.908 321 HB2 ASP 48 1HB ASP 48 3.834 0.965 21.035 322 HB3 ASP 48 2HB ASP 48 2.147 0.727 21.482 323 H GLY 49 H GLY 49 2.165 -0.562 17.307 324 HA2 GLY 49 1HA GLY 49 0.234 1.670 17.455 325 HA3 GLY 49 2HA GLY 49 1.348 1.488 16.108 326 HA PRO 50 HA PRO 50 -2.760 -0.637 15.231 327 HB2 PRO 50 1HB PRO 50 -3.442 0.886 13.090 328 HB3 PRO 50 2HB PRO 50 -3.892 1.303 14.748 329 HG2 PRO 50 1HG PRO 50 -1.643 2.354 13.074 330 HG3 PRO 50 2HG PRO 50 -2.753 3.237 14.138 331 HD2 PRO 50 1HD PRO 50 -0.237 2.574 14.886 332 HD3 PRO 50 2HD PRO 50 -1.582 2.669 16.040 333 H ALA 51 H ALA 51 -0.028 0.432 13.323 334 HA ALA 51 HA ALA 51 -0.549 -1.295 11.095 335 HB1 ALA 51 1HB ALA 51 1.804 0.370 11.929 336 HB2 ALA 51 2HB ALA 51 1.878 -0.711 10.537 337 HB3 ALA 51 3HB ALA 51 0.707 0.607 10.569 338 H GLN 52 H GLN 52 2.105 -1.294 13.486 339 HA GLN 52 HA GLN 52 3.135 -3.789 12.893 340 HB2 GLN 52 1HB GLN 52 4.154 -2.073 14.413 341 HB3 GLN 52 2HB GLN 52 3.015 -2.574 15.656 342 HG2 GLN 52 1HG GLN 52 4.030 -4.952 15.133 343 HG3 GLN 52 2HG GLN 52 5.393 -3.981 14.579 344 HE21 GLN 52 1HE2 GLN 52 6.061 -5.505 16.534 345 HE22 GLN 52 2HE2 GLN 52 6.122 -4.687 18.054 346 H ARG 53 H ARG 53 0.619 -2.955 15.257 347 HA ARG 53 HA ARG 53 0.210 -5.517 16.293 348 HB2 ARG 53 1HB ARG 53 -1.566 -3.104 16.042 349 HB3 ARG 53 2HB ARG 53 -2.164 -4.602 16.743 350 HG2 ARG 53 1HG ARG 53 -0.591 -4.497 18.519 351 HG3 ARG 53 2HG ARG 53 0.283 -3.173 17.746 352 HD2 ARG 53 1HD ARG 53 -0.971 -2.073 19.350 353 HD3 ARG 53 2HD ARG 53 -1.976 -1.916 17.909 354 HE ARG 53 HE ARG 53 -2.700 -4.239 19.337 355 HH11 ARG 53 2HH1 ARG 53 -2.911 -0.768 19.504 356 HH12 ARG 53 1HH1 ARG 53 -4.371 -0.771 20.438 357 HH21 ARG 53 2HH2 ARG 53 -4.622 -4.257 20.565 358 HH22 ARG 53 1HH2 ARG 53 -5.343 -2.757 21.041 359 H CYS 54 H CYS 54 -0.954 -4.009 13.360 360 HA CYS 54 HA CYS 54 -3.035 -5.759 12.719 361 HB2 CYS 54 1HB CYS 54 -2.186 -3.545 11.573 362 HB3 CYS 54 2HB CYS 54 -1.269 -4.660 10.568 363 HG CYS 54 HG CYS 54 -3.923 -6.090 10.202 364 H GLY 55 H GLY 55 0.443 -6.015 12.198 365 HA2 GLY 55 1HA GLY 55 1.702 -7.942 11.908 366 HA3 GLY 55 2HA GLY 55 0.213 -8.875 11.896 367 H ARG 56 H ARG 56 -1.130 -7.617 9.798 368 HA ARG 56 HA ARG 56 -0.277 -9.004 7.587 369 HB2 ARG 56 1HB ARG 56 -1.951 -6.533 7.893 370 HB3 ARG 56 2HB ARG 56 -1.565 -7.147 6.290 371 HG2 ARG 56 1HG ARG 56 -3.717 -7.969 6.981 372 HG3 ARG 56 2HG ARG 56 -2.570 -9.309 6.902 373 HD2 ARG 56 1HD ARG 56 -2.240 -9.094 9.355 374 HD3 ARG 56 2HD ARG 56 -3.504 -7.865 9.379 375 HE ARG 56 HE ARG 56 -5.091 -9.517 9.111 376 HH11 ARG 56 2HH1 ARG 56 -1.899 -10.837 8.675 377 HH12 ARG 56 1HH1 ARG 56 -2.434 -12.485 8.709 378 HH21 ARG 56 2HH2 ARG 56 -5.807 -11.682 9.157 379 HH22 ARG 56 1HH2 ARG 56 -4.657 -12.964 8.982 380 H LEU 57 H LEU 57 0.579 -5.715 8.552 381 HA LEU 57 HA LEU 57 2.309 -5.411 6.229 382 HB2 LEU 57 1HB LEU 57 1.884 -3.493 8.511 383 HB3 LEU 57 2HB LEU 57 2.611 -3.142 6.944 384 HG LEU 57 HG LEU 57 -0.271 -3.951 7.287 385 HD11 LEU 57 1HD1 LEU 57 -0.317 -1.314 6.631 386 HD12 LEU 57 2HD1 LEU 57 1.054 -1.377 7.738 387 HD13 LEU 57 3HD1 LEU 57 -0.529 -1.951 8.262 388 HD21 LEU 57 1HD2 LEU 57 1.311 -2.755 5.018 389 HD22 LEU 57 2HD2 LEU 57 -0.449 -2.876 5.042 390 HD23 LEU 57 3HD2 LEU 57 0.537 -4.339 5.070 391 H GLU 58 H GLU 58 4.366 -6.003 6.262 392 HA GLU 58 HA GLU 58 5.879 -5.798 8.761 393 HB2 GLU 58 1HB GLU 58 5.846 -8.248 6.990 394 HB3 GLU 58 2HB GLU 58 6.910 -8.003 8.368 395 HG2 GLU 58 1HG GLU 58 5.007 -7.966 9.866 396 HG3 GLU 58 2HG GLU 58 3.906 -8.130 8.500 397 H VAL 59 H VAL 59 8.063 -5.375 8.513 398 HA VAL 59 HA VAL 59 8.923 -3.822 6.442 399 HB VAL 59 HB VAL 59 10.618 -5.652 8.145 400 HG11 VAL 59 1HG1 VAL 59 11.893 -5.023 6.213 401 HG12 VAL 59 2HG1 VAL 59 11.398 -3.337 6.379 402 HG13 VAL 59 3HG1 VAL 59 12.456 -4.070 7.585 403 HG21 VAL 59 1HG2 VAL 59 9.585 -4.215 9.634 404 HG22 VAL 59 2HG2 VAL 59 11.073 -3.347 9.254 405 HG23 VAL 59 3HG2 VAL 59 9.557 -2.877 8.485 406 H GLY 60 H GLY 60 8.985 -4.256 4.337 407 HA2 GLY 60 1HA GLY 60 10.411 -5.424 2.664 408 HA3 GLY 60 2HA GLY 60 9.986 -6.909 3.501 409 H ASP 61 H ASP 61 7.215 -6.225 3.902 410 HA ASP 61 HA ASP 61 5.989 -7.408 1.786 411 HB2 ASP 61 1HB ASP 61 5.035 -5.414 3.799 412 HB3 ASP 61 2HB ASP 61 3.961 -5.869 2.479 413 H LEU 62 H LEU 62 5.418 -6.904 -0.242 414 HA LEU 62 HA LEU 62 6.209 -4.295 -1.269 415 HB2 LEU 62 1HB LEU 62 5.105 -6.563 -2.891 416 HB3 LEU 62 2HB LEU 62 6.152 -5.245 -3.413 417 HG LEU 62 HG LEU 62 7.098 -7.346 -1.484 418 HD11 LEU 62 1HD1 LEU 62 7.986 -8.613 -3.315 419 HD12 LEU 62 2HD1 LEU 62 7.378 -7.439 -4.482 420 HD13 LEU 62 3HD1 LEU 62 6.248 -8.425 -3.554 421 HD21 LEU 62 1HD2 LEU 62 9.244 -6.612 -2.870 422 HD22 LEU 62 2HD2 LEU 62 8.693 -5.728 -1.446 423 HD23 LEU 62 3HD2 LEU 62 8.294 -5.139 -3.060 424 H VAL 63 H VAL 63 4.841 -2.791 -2.086 425 HA VAL 63 HA VAL 63 1.972 -3.280 -1.691 426 HB VAL 63 HB VAL 63 3.168 -0.576 -2.211 427 HG11 VAL 63 1HG1 VAL 63 1.231 0.240 -1.103 428 HG12 VAL 63 2HG1 VAL 63 0.687 -0.989 -2.247 429 HG13 VAL 63 3HG1 VAL 63 0.802 -1.371 -0.528 430 HG21 VAL 63 1HG2 VAL 63 4.384 -0.739 -0.348 431 HG22 VAL 63 2HG2 VAL 63 2.854 -0.737 0.531 432 HG23 VAL 63 3HG2 VAL 63 3.626 -2.266 0.106 433 H LEU 64 H LEU 64 0.569 -3.267 -3.345 434 HA LEU 64 HA LEU 64 1.637 -2.680 -6.023 435 HB2 LEU 64 1HB LEU 64 -0.712 -4.397 -5.236 436 HB3 LEU 64 2HB LEU 64 -0.127 -4.139 -6.879 437 HG LEU 64 HG LEU 64 1.550 -5.424 -4.734 438 HD11 LEU 64 1HD1 LEU 64 0.921 -7.574 -5.656 439 HD12 LEU 64 2HD1 LEU 64 -0.175 -6.792 -6.794 440 HD13 LEU 64 3HD1 LEU 64 -0.508 -6.726 -5.063 441 HD21 LEU 64 1HD2 LEU 64 3.136 -5.502 -6.286 442 HD22 LEU 64 2HD2 LEU 64 2.125 -4.471 -7.300 443 HD23 LEU 64 3HD2 LEU 64 2.030 -6.226 -7.454 444 H HIS 65 H HIS 65 -0.891 -1.952 -3.743 445 HA HIS 65 HA HIS 65 -1.641 0.372 -5.294 446 HB2 HIS 65 1HB HIS 65 -3.731 -1.693 -4.572 447 HB3 HIS 65 2HB HIS 65 -4.023 -0.146 -5.362 448 HD1 HIS 65 1HD HIS 65 -2.371 0.003 -7.707 449 HD2 HIS 65 2HD HIS 65 -3.779 -3.676 -6.388 450 HE1 HIS 65 1HE HIS 65 -2.256 -1.517 -9.707 451 HE2 HIS 65 2HE HIS 65 -3.193 -3.714 -8.907 452 H ILE 66 H ILE 66 -3.319 1.690 -4.078 453 HA ILE 66 HA ILE 66 -3.432 1.201 -1.220 454 HB ILE 66 HB ILE 66 -2.002 3.595 -2.370 455 HG12 ILE 66 1HG1 ILE 66 -1.114 1.562 -0.314 456 HG13 ILE 66 2HG1 ILE 66 -0.693 1.493 -2.022 457 HG21 ILE 66 1HG2 ILE 66 -1.917 3.722 0.418 458 HG22 ILE 66 2HG2 ILE 66 -2.793 4.792 -0.675 459 HG23 ILE 66 3HG2 ILE 66 -3.600 3.384 0.014 460 HD11 ILE 66 1HD1 ILE 66 0.703 3.330 -1.880 461 HD12 ILE 66 2HD1 ILE 66 -0.053 3.915 -0.397 462 HD13 ILE 66 3HD1 ILE 66 0.988 2.492 -0.354 463 H ASN 67 H ASN 67 -5.283 1.938 -0.371 464 HA ASN 67 HA ASN 67 -7.367 2.846 -0.250 465 HB2 ASN 67 1HB ASN 67 -6.232 5.155 -1.830 466 HB3 ASN 67 2HB ASN 67 -7.553 5.190 -0.666 467 HD21 ASN 67 1HD2 ASN 67 -6.576 3.841 1.444 468 HD22 ASN 67 2HD2 ASN 67 -5.195 4.650 2.097 469 H GLY 68 H GLY 68 -7.085 1.016 -2.295 470 HA2 GLY 68 1HA GLY 68 -8.108 0.278 -4.213 471 HA3 GLY 68 2HA GLY 68 -9.336 1.486 -3.865 472 H GLU 69 H GLU 69 -6.070 2.517 -4.349 473 HA GLU 69 HA GLU 69 -6.865 3.654 -6.944 474 HB2 GLU 69 1HB GLU 69 -4.789 4.600 -4.961 475 HB3 GLU 69 2HB GLU 69 -5.082 5.337 -6.530 476 HG2 GLU 69 1HG GLU 69 -7.551 5.476 -5.596 477 HG3 GLU 69 2HG GLU 69 -6.703 5.436 -4.052 478 H SER 70 H SER 70 -4.740 4.211 -8.265 479 HA SER 70 HA SER 70 -3.212 1.698 -8.435 480 HB2 SER 70 1HB SER 70 -4.238 3.589 -10.522 481 HB3 SER 70 2HB SER 70 -2.804 2.619 -10.860 482 HG SER 70 HG SER 70 -5.154 1.432 -9.853 483 H THR 71 H THR 71 -1.295 1.964 -7.490 484 HA THR 71 HA THR 71 0.035 4.509 -7.384 485 HB THR 71 HB THR 71 0.231 2.927 -5.519 486 HG1 THR 71 1HG THR 71 2.087 4.380 -6.450 487 HG21 THR 71 1HG2 THR 71 2.019 1.219 -7.221 488 HG22 THR 71 2HG2 THR 71 0.287 0.906 -7.119 489 HG23 THR 71 3HG2 THR 71 1.282 0.844 -5.664 490 H GLN 72 H GLN 72 -0.392 2.663 -9.927 491 HA GLN 72 HA GLN 72 2.145 2.045 -10.942 492 HB2 GLN 72 1HB GLN 72 0.072 1.186 -11.924 493 HB3 GLN 72 2HB GLN 72 -0.367 2.808 -12.442 494 HG2 GLN 72 1HG GLN 72 1.355 2.878 -14.040 495 HG3 GLN 72 2HG GLN 72 2.154 1.465 -13.354 496 HE21 GLN 72 1HE2 GLN 72 1.525 -0.541 -13.967 497 HE22 GLN 72 2HE2 GLN 72 0.322 -0.852 -15.167 498 H GLY 73 H GLY 73 0.398 5.054 -10.766 499 HA2 GLY 73 1HA GLY 73 2.679 6.376 -12.099 500 HA3 GLY 73 2HA GLY 73 1.020 6.877 -12.393 501 H LEU 74 H LEU 74 2.031 5.894 -9.216 502 HA LEU 74 HA LEU 74 1.929 8.712 -8.359 503 HB2 LEU 74 1HB LEU 74 1.082 6.271 -6.806 504 HB3 LEU 74 2HB LEU 74 1.017 7.936 -6.234 505 HG LEU 74 HG LEU 74 -0.537 7.022 -8.639 506 HD11 LEU 74 1HD1 LEU 74 -0.904 6.016 -6.076 507 HD12 LEU 74 2HD1 LEU 74 -2.065 5.985 -7.404 508 HD13 LEU 74 3HD1 LEU 74 -2.105 7.299 -6.229 509 HD21 LEU 74 1HD2 LEU 74 -0.120 9.471 -8.121 510 HD22 LEU 74 2HD2 LEU 74 -1.132 9.237 -6.695 511 HD23 LEU 74 3HD2 LEU 74 -1.803 8.979 -8.307 512 H THR 75 H THR 75 3.746 9.467 -7.515 513 HA THR 75 HA THR 75 5.965 7.725 -6.974 514 HB THR 75 HB THR 75 7.095 9.887 -6.256 515 HG1 THR 75 1HG THR 75 4.756 10.817 -6.043 516 HG21 THR 75 1HG2 THR 75 5.950 10.195 -9.003 517 HG22 THR 75 2HG2 THR 75 6.976 8.809 -8.630 518 HG23 THR 75 3HG2 THR 75 7.603 10.447 -8.444 519 H HIS 76 H HIS 76 7.296 8.377 -4.888 520 HA HIS 76 HA HIS 76 6.063 7.250 -2.696 521 HB2 HIS 76 1HB HIS 76 8.497 7.532 -2.894 522 HB3 HIS 76 2HB HIS 76 8.316 9.270 -2.680 523 HD1 HIS 76 1HD HIS 76 9.711 9.311 -0.529 524 HD2 HIS 76 2HD HIS 76 6.388 6.827 -0.319 525 HE1 HIS 76 1HE HIS 76 9.469 8.716 1.903 526 HE2 HIS 76 2HE HIS 76 7.502 7.144 1.993 527 H ALA 77 H ALA 77 6.439 10.702 -3.443 528 HA ALA 77 HA ALA 77 5.200 11.688 -1.122 529 HB1 ALA 77 1HB ALA 77 5.393 12.940 -3.859 530 HB2 ALA 77 2HB ALA 77 4.947 13.785 -2.376 531 HB3 ALA 77 3HB ALA 77 6.563 13.101 -2.548 532 H GLN 78 H GLN 78 3.880 11.040 -4.361 533 HA GLN 78 HA GLN 78 1.264 11.887 -3.871 534 HB2 GLN 78 1HB GLN 78 2.426 9.872 -5.780 535 HB3 GLN 78 2HB GLN 78 0.698 10.197 -5.728 536 HG2 GLN 78 1HG GLN 78 2.885 12.168 -6.349 537 HG3 GLN 78 2HG GLN 78 1.716 11.487 -7.480 538 HE21 GLN 78 1HE2 GLN 78 2.165 14.248 -6.988 539 HE22 GLN 78 2HE2 GLN 78 0.701 14.909 -6.351 540 H ALA 79 H ALA 79 2.491 8.534 -3.869 541 HA ALA 79 HA ALA 79 0.295 7.179 -3.025 542 HB1 ALA 79 1HB ALA 79 2.043 5.769 -3.418 543 HB2 ALA 79 2HB ALA 79 3.203 6.789 -2.566 544 HB3 ALA 79 3HB ALA 79 2.075 5.785 -1.655 545 H VAL 80 H VAL 80 2.678 8.715 -0.863 546 HA VAL 80 HA VAL 80 1.476 8.101 1.562 547 HB VAL 80 HB VAL 80 3.023 10.597 0.852 548 HG11 VAL 80 1HG1 VAL 80 1.677 10.764 2.941 549 HG12 VAL 80 2HG1 VAL 80 2.571 9.380 3.572 550 HG13 VAL 80 3HG1 VAL 80 3.417 10.882 3.198 551 HG21 VAL 80 1HG2 VAL 80 4.863 9.352 0.853 552 HG22 VAL 80 2HG2 VAL 80 4.446 8.656 2.420 553 HG23 VAL 80 3HG2 VAL 80 3.840 7.917 0.938 554 H GLU 81 H GLU 81 0.860 10.798 -0.639 555 HA GLU 81 HA GLU 81 -0.915 12.209 1.039 556 HB2 GLU 81 1HB GLU 81 0.072 13.321 -0.849 557 HB3 GLU 81 2HB GLU 81 -0.624 12.154 -1.965 558 HG2 GLU 81 1HG GLU 81 -2.784 13.010 -1.693 559 HG3 GLU 81 2HG GLU 81 -2.341 13.898 -0.237 560 H ARG 82 H ARG 82 -1.271 9.322 -0.758 561 HA ARG 82 HA ARG 82 -4.122 9.474 -1.084 562 HB2 ARG 82 1HB ARG 82 -2.289 7.076 -1.276 563 HB3 ARG 82 2HB ARG 82 -3.952 7.157 -1.843 564 HG2 ARG 82 1HG ARG 82 -1.727 8.890 -2.892 565 HG3 ARG 82 2HG ARG 82 -2.243 7.373 -3.632 566 HD2 ARG 82 1HD ARG 82 -4.350 8.237 -4.197 567 HD3 ARG 82 2HD ARG 82 -4.176 9.606 -3.098 568 HE ARG 82 HE ARG 82 -2.202 9.598 -5.168 569 HH11 ARG 82 2HH1 ARG 82 -5.489 10.450 -4.401 570 HH12 ARG 82 1HH1 ARG 82 -5.590 11.684 -5.613 571 HH21 ARG 82 2HH2 ARG 82 -2.322 11.220 -6.767 572 HH22 ARG 82 1HH2 ARG 82 -3.788 12.121 -6.958 573 H ILE 83 H ILE 83 -1.892 7.887 1.155 574 HA ILE 83 HA ILE 83 -3.870 6.461 2.597 575 HB ILE 83 HB ILE 83 -1.156 7.368 3.563 576 HG12 ILE 83 1HG1 ILE 83 -1.791 4.625 2.523 577 HG13 ILE 83 2HG1 ILE 83 -1.377 5.918 1.403 578 HG21 ILE 83 1HG2 ILE 83 -2.753 6.650 5.325 579 HG22 ILE 83 2HG2 ILE 83 -2.867 5.083 4.526 580 HG23 ILE 83 3HG2 ILE 83 -1.328 5.619 5.200 581 HD11 ILE 83 1HD1 ILE 83 0.693 6.232 2.918 582 HD12 ILE 83 2HD1 ILE 83 0.313 4.603 3.478 583 HD13 ILE 83 3HD1 ILE 83 0.650 4.893 1.772 584 H ARG 84 H ARG 84 -2.200 9.536 3.239 585 HA ARG 84 HA ARG 84 -3.410 10.135 5.676 586 HB2 ARG 84 1HB ARG 84 -2.650 12.359 5.373 587 HB3 ARG 84 2HB ARG 84 -1.468 11.332 4.572 588 HG2 ARG 84 1HG ARG 84 -2.554 11.821 2.412 589 HG3 ARG 84 2HG ARG 84 -3.654 12.920 3.246 590 HD2 ARG 84 1HD ARG 84 -0.678 13.222 3.462 591 HD3 ARG 84 2HD ARG 84 -1.572 13.907 2.105 592 HE ARG 84 HE ARG 84 -2.480 15.487 3.523 593 HH11 ARG 84 2HH1 ARG 84 -0.747 13.083 5.349 594 HH12 ARG 84 1HH1 ARG 84 -0.785 13.989 6.826 595 HH21 ARG 84 2HH2 ARG 84 -2.537 16.689 5.460 596 HH22 ARG 84 1HH2 ARG 84 -1.804 16.039 6.888 597 H ALA 85 H ALA 85 -4.422 11.003 2.382 598 HA ALA 85 HA ALA 85 -6.787 12.355 3.245 599 HB1 ALA 85 1HB ALA 85 -7.072 12.924 1.074 600 HB2 ALA 85 2HB ALA 85 -5.379 12.438 0.971 601 HB3 ALA 85 3HB ALA 85 -6.649 11.317 0.482 602 H GLY 86 H GLY 86 -5.955 9.071 2.704 603 HA2 GLY 86 1HA GLY 86 -8.181 7.804 1.818 604 HA3 GLY 86 2HA GLY 86 -7.198 7.170 3.130 605 H GLY 87 H GLY 87 -7.836 9.415 4.913 606 HA2 GLY 87 1HA GLY 87 -9.829 10.311 5.958 607 HA3 GLY 87 2HA GLY 87 -10.698 8.890 5.397 608 HA PRO 88 HA PRO 88 -9.792 8.101 9.817 609 HB2 PRO 88 1HB PRO 88 -12.095 6.734 10.259 610 HB3 PRO 88 2HB PRO 88 -11.997 8.498 10.327 611 HG2 PRO 88 1HG PRO 88 -12.963 6.738 8.106 612 HG3 PRO 88 2HG PRO 88 -13.663 8.246 8.725 613 HD2 PRO 88 1HD PRO 88 -12.162 8.153 6.473 614 HD3 PRO 88 2HD PRO 88 -12.180 9.563 7.551 615 H GLN 89 H GLN 89 -10.834 5.982 7.213 616 HA GLN 89 HA GLN 89 -9.579 3.701 8.580 617 HB2 GLN 89 1HB GLN 89 -11.710 3.889 6.471 618 HB3 GLN 89 2HB GLN 89 -10.805 2.400 6.708 619 HG2 GLN 89 1HG GLN 89 -11.616 2.152 8.917 620 HG3 GLN 89 2HG GLN 89 -12.284 3.783 8.926 621 HE21 GLN 89 1HE2 GLN 89 -13.889 1.757 9.645 622 HE22 GLN 89 2HE2 GLN 89 -15.064 1.440 8.420 623 H LEU 90 H LEU 90 -7.823 2.728 7.744 624 HA LEU 90 HA LEU 90 -6.702 3.877 5.288 625 HB2 LEU 90 1HB LEU 90 -5.045 4.106 6.825 626 HB3 LEU 90 2HB LEU 90 -5.567 2.705 7.757 627 HG LEU 90 HG LEU 90 -4.320 2.248 5.091 628 HD11 LEU 90 1HD1 LEU 90 -2.214 2.788 5.675 629 HD12 LEU 90 2HD1 LEU 90 -2.463 2.382 7.373 630 HD13 LEU 90 3HD1 LEU 90 -3.025 3.932 6.745 631 HD21 LEU 90 1HD2 LEU 90 -3.404 0.601 7.241 632 HD22 LEU 90 2HD2 LEU 90 -4.339 0.152 5.815 633 HD23 LEU 90 3HD2 LEU 90 -5.165 0.689 7.278 634 H HIS 91 H HIS 91 -6.353 2.684 3.503 635 HA HIS 91 HA HIS 91 -6.743 -0.227 3.683 636 HB2 HIS 91 1HB HIS 91 -8.703 1.181 2.697 637 HB3 HIS 91 2HB HIS 91 -7.665 1.321 1.281 638 HD1 HIS 91 1HD HIS 91 -7.512 -0.681 -0.254 639 HD2 HIS 91 2HD HIS 91 -9.571 -1.489 3.263 640 HE1 HIS 91 1HE HIS 91 -8.546 -2.949 -0.586 641 HE2 HIS 91 2HE HIS 91 -9.857 -3.379 1.522 642 H LEU 92 H LEU 92 -4.889 -1.168 3.160 643 HA LEU 92 HA LEU 92 -3.343 -0.061 0.910 644 HB2 LEU 92 1HB LEU 92 -2.138 -1.481 3.270 645 HB3 LEU 92 2HB LEU 92 -1.302 -0.596 1.996 646 HG LEU 92 HG LEU 92 -3.029 0.607 4.159 647 HD11 LEU 92 1HD1 LEU 92 -0.726 1.684 4.669 648 HD12 LEU 92 2HD1 LEU 92 -0.079 0.301 3.787 649 HD13 LEU 92 3HD1 LEU 92 -1.061 0.045 5.229 650 HD21 LEU 92 1HD2 LEU 92 -2.995 1.726 1.855 651 HD22 LEU 92 2HD2 LEU 92 -1.307 2.100 2.206 652 HD23 LEU 92 3HD2 LEU 92 -2.584 2.716 3.256 653 H VAL 93 H VAL 93 -2.777 -1.455 -0.657 654 HA VAL 93 HA VAL 93 -3.624 -4.242 -0.350 655 HB VAL 93 HB VAL 93 -2.709 -3.010 -2.932 656 HG11 VAL 93 1HG1 VAL 93 -4.893 -4.744 -3.259 657 HG12 VAL 93 2HG1 VAL 93 -3.206 -5.042 -3.681 658 HG13 VAL 93 3HG1 VAL 93 -3.817 -5.520 -2.097 659 HG21 VAL 93 1HG2 VAL 93 -5.349 -2.757 -3.175 660 HG22 VAL 93 2HG2 VAL 93 -5.216 -2.489 -1.437 661 HG23 VAL 93 3HG2 VAL 93 -4.329 -1.458 -2.559 662 H ILE 94 H ILE 94 -2.093 -5.586 0.334 663 HA ILE 94 HA ILE 94 0.638 -5.250 -0.724 664 HB ILE 94 HB ILE 94 -0.178 -6.468 1.917 665 HG12 ILE 94 1HG1 ILE 94 -0.294 -3.915 1.614 666 HG13 ILE 94 2HG1 ILE 94 0.633 -4.532 2.976 667 HG21 ILE 94 1HG2 ILE 94 1.810 -7.500 0.827 668 HG22 ILE 94 2HG2 ILE 94 2.591 -5.920 0.867 669 HG23 ILE 94 3HG2 ILE 94 2.158 -6.728 2.374 670 HD11 ILE 94 1HD1 ILE 94 2.024 -3.967 0.406 671 HD12 ILE 94 2HD1 ILE 94 1.589 -2.635 1.477 672 HD13 ILE 94 3HD1 ILE 94 2.642 -3.925 2.057 673 H ARG 95 H ARG 95 1.789 -7.103 -1.330 674 HA ARG 95 HA ARG 95 0.309 -9.631 -1.400 675 HB2 ARG 95 1HB ARG 95 -0.175 -8.772 -3.552 676 HB3 ARG 95 2HB ARG 95 1.465 -8.175 -3.768 677 HG2 ARG 95 1HG ARG 95 2.187 -10.618 -3.691 678 HG3 ARG 95 2HG ARG 95 0.476 -11.001 -3.894 679 HD2 ARG 95 1HD ARG 95 1.505 -11.005 -6.054 680 HD3 ARG 95 2HD ARG 95 0.469 -9.583 -5.940 681 HE ARG 95 HE ARG 95 2.962 -8.731 -5.171 682 HH11 ARG 95 2HH1 ARG 95 1.583 -10.221 -7.999 683 HH12 ARG 95 1HH1 ARG 95 2.706 -9.486 -9.094 684 HH21 ARG 95 2HH2 ARG 95 4.446 -7.756 -6.603 685 HH22 ARG 95 1HH2 ARG 95 4.335 -8.084 -8.299 686 H ARG 96 H ARG 96 1.536 -11.201 -0.615 687 HA ARG 96 HA ARG 96 4.300 -10.833 -0.062 688 HB2 ARG 96 1HB ARG 96 2.927 -12.209 1.388 689 HB3 ARG 96 2HB ARG 96 2.562 -13.302 0.060 690 HG2 ARG 96 1HG ARG 96 4.189 -14.484 1.133 691 HG3 ARG 96 2HG ARG 96 5.170 -13.573 -0.016 692 HD2 ARG 96 1HD ARG 96 6.167 -13.506 2.199 693 HD3 ARG 96 2HD ARG 96 5.628 -11.899 1.713 694 HE ARG 96 HE ARG 96 3.541 -12.985 3.140 695 HH11 ARG 96 2HH1 ARG 96 6.890 -12.238 3.733 696 HH12 ARG 96 1HH1 ARG 96 6.659 -11.937 5.423 697 HH21 ARG 96 2HH2 ARG 96 3.224 -12.591 5.365 698 HH22 ARG 96 1HH2 ARG 96 4.573 -12.139 6.351 699 HA PRO 97 HA PRO 97 5.804 -12.054 -4.068 700 HB2 PRO 97 1HB PRO 97 8.440 -11.934 -3.430 701 HB3 PRO 97 2HB PRO 97 7.462 -10.496 -3.745 702 HG2 PRO 97 1HG PRO 97 8.267 -11.703 -1.126 703 HG3 PRO 97 2HG PRO 97 8.240 -9.998 -1.612 704 HD2 PRO 97 1HD PRO 97 6.285 -11.115 -0.108 705 HD3 PRO 97 2HD PRO 97 5.970 -9.803 -1.262 706 H LEU 98 H LEU 98 7.578 -13.654 -4.813 707 HA LEU 98 HA LEU 98 7.330 -16.100 -3.191 708 HB2 LEU 98 1HB LEU 98 7.966 -17.075 -5.592 709 HB3 LEU 98 2HB LEU 98 6.306 -16.778 -5.080 710 HG LEU 98 HG LEU 98 6.774 -16.027 -7.388 711 HD11 LEU 98 1HD1 LEU 98 5.380 -14.716 -5.381 712 HD12 LEU 98 2HD1 LEU 98 5.206 -14.476 -7.119 713 HD13 LEU 98 3HD1 LEU 98 6.290 -13.441 -6.190 714 HD21 LEU 98 1HD2 LEU 98 8.077 -13.639 -7.125 715 HD22 LEU 98 2HD2 LEU 98 8.799 -15.134 -7.720 716 HD23 LEU 98 3HD2 LEU 98 8.981 -14.680 -6.025 717 H SER 99 H SER 99 9.402 -14.020 -2.973 718 HA SER 99 HA SER 99 11.790 -15.280 -4.052 719 HB2 SER 99 1HB SER 99 11.557 -12.806 -4.058 720 HB3 SER 99 2HB SER 99 11.537 -12.826 -2.295 721 HG SER 99 HG SER 99 13.628 -12.403 -3.228 722 H GLY 100 H GLY 100 10.336 -16.843 -2.185 723 HA2 GLY 100 1HA GLY 100 12.413 -17.140 -0.132 724 HA3 GLY 100 2HA GLY 100 10.737 -17.022 0.382 725 HA PRO 101 HA PRO 101 11.659 -21.506 -0.112 726 HB2 PRO 101 1HB PRO 101 10.243 -22.260 2.078 727 HB3 PRO 101 2HB PRO 101 11.926 -21.725 2.160 728 HG2 PRO 101 1HG PRO 101 9.421 -20.190 2.734 729 HG3 PRO 101 2HG PRO 101 10.949 -20.215 3.633 730 HD2 PRO 101 1HD PRO 101 10.298 -18.219 1.923 731 HD3 PRO 101 2HD PRO 101 11.973 -18.747 2.181 732 H SER 102 H SER 102 10.362 -23.014 -1.057 733 HA SER 102 HA SER 102 7.517 -22.308 -1.367 734 HB2 SER 102 1HB SER 102 8.744 -22.125 -3.477 735 HB3 SER 102 2HB SER 102 9.326 -23.780 -3.300 736 HG SER 102 HG SER 102 7.408 -23.427 -4.675 737 H SER 103 H SER 103 9.796 -25.023 -1.184 738 HA SER 103 HA SER 103 7.734 -26.981 -0.854 739 HB2 SER 103 1HB SER 103 9.660 -28.498 -0.281 740 HB3 SER 103 2HB SER 103 9.812 -27.687 -1.840 741 HG SER 103 HG SER 103 11.485 -26.615 -1.122 742 H GLY 104 H GLY 104 6.612 -27.349 0.934 743 HA2 GLY 104 1HA GLY 104 6.636 -26.089 3.292 744 HA3 GLY 104 2HA GLY 104 6.242 -27.798 3.185 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -24.994 -16.248 9.034 2 HA2 GLY 1 1HA GLY 1 -26.168 -16.425 6.450 3 HA3 GLY 1 2HA GLY 1 -25.614 -14.786 6.762 4 H SER 2 H SER 2 -24.758 -17.653 5.412 5 HA SER 2 HA SER 2 -21.927 -17.499 6.091 6 HB2 SER 2 1HB SER 2 -23.684 -19.503 4.759 7 HB3 SER 2 2HB SER 2 -21.981 -19.484 4.304 8 HG SER 2 HG SER 2 -21.955 -20.769 6.023 9 H SER 3 H SER 3 -23.830 -17.665 3.076 10 HA SER 3 HA SER 3 -21.739 -16.848 1.389 11 HB2 SER 3 1HB SER 3 -23.399 -16.617 -0.322 12 HB3 SER 3 2HB SER 3 -23.895 -17.973 0.691 13 HG SER 3 HG SER 3 -25.430 -16.087 0.066 14 H GLY 4 H GLY 4 -20.801 -14.936 1.131 15 HA2 GLY 4 1HA GLY 4 -22.369 -12.493 1.476 16 HA3 GLY 4 2HA GLY 4 -20.970 -12.699 2.519 17 H SER 5 H SER 5 -18.971 -12.245 1.750 18 HA SER 5 HA SER 5 -18.804 -11.420 -1.075 19 HB2 SER 5 1HB SER 5 -17.724 -10.181 1.424 20 HB3 SER 5 2HB SER 5 -16.820 -9.988 -0.078 21 HG SER 5 HG SER 5 -19.585 -9.432 0.071 22 H SER 6 H SER 6 -16.340 -11.283 -1.715 23 HA SER 6 HA SER 6 -15.369 -13.966 -1.618 24 HB2 SER 6 1HB SER 6 -14.158 -11.438 -2.759 25 HB3 SER 6 2HB SER 6 -13.468 -13.048 -2.966 26 HG SER 6 HG SER 6 -15.612 -11.882 -4.214 27 H GLY 7 H GLY 7 -14.054 -14.858 -0.174 28 HA2 GLY 7 1HA GLY 7 -12.617 -13.076 1.680 29 HA3 GLY 7 2HA GLY 7 -13.098 -14.729 2.033 30 H GLN 8 H GLN 8 -12.190 -15.934 -0.358 31 HA GLN 8 HA GLN 8 -9.550 -16.530 0.306 32 HB2 GLN 8 1HB GLN 8 -10.910 -18.042 -1.021 33 HB3 GLN 8 2HB GLN 8 -10.989 -16.870 -2.330 34 HG2 GLN 8 1HG GLN 8 -8.622 -17.098 -2.732 35 HG3 GLN 8 2HG GLN 8 -8.463 -18.178 -1.348 36 HE21 GLN 8 1HE2 GLN 8 -9.757 -17.831 -4.577 37 HE22 GLN 8 2HE2 GLN 8 -9.930 -19.519 -4.898 38 H ALA 9 H ALA 9 -8.059 -14.950 0.413 39 HA ALA 9 HA ALA 9 -7.866 -12.633 -1.044 40 HB1 ALA 9 1HB ALA 9 -5.223 -13.326 -0.653 41 HB2 ALA 9 2HB ALA 9 -6.255 -12.461 0.486 42 HB3 ALA 9 3HB ALA 9 -6.077 -14.211 0.612 43 H SER 10 H SER 10 -8.345 -12.875 -3.216 44 HA SER 10 HA SER 10 -6.875 -14.715 -4.874 45 HB2 SER 10 1HB SER 10 -9.078 -12.753 -5.279 46 HB3 SER 10 2HB SER 10 -8.107 -13.185 -6.686 47 HG SER 10 HG SER 10 -8.968 -15.111 -6.688 48 H GLY 11 H GLY 11 -4.711 -14.096 -4.642 49 HA2 GLY 11 1HA GLY 11 -2.862 -13.093 -5.652 50 HA3 GLY 11 2HA GLY 11 -3.933 -11.903 -6.376 51 H HIS 12 H HIS 12 -3.989 -9.918 -5.525 52 HA HIS 12 HA HIS 12 -2.304 -9.364 -3.233 53 HB2 HIS 12 1HB HIS 12 -3.218 -6.942 -3.846 54 HB3 HIS 12 2HB HIS 12 -1.932 -7.708 -4.773 55 HD1 HIS 12 1HD HIS 12 -5.671 -7.128 -4.928 56 HD2 HIS 12 2HD HIS 12 -2.482 -8.054 -7.426 57 HE1 HIS 12 1HE HIS 12 -6.596 -7.028 -7.265 58 HE2 HIS 12 2HE HIS 12 -4.670 -7.675 -8.753 59 H PHE 13 H PHE 13 -2.959 -8.665 -1.256 60 HA PHE 13 HA PHE 13 -5.855 -8.745 -0.746 61 HB2 PHE 13 1HB PHE 13 -5.290 -9.300 1.570 62 HB3 PHE 13 2HB PHE 13 -4.541 -10.441 0.458 63 HD1 PHE 13 2HD PHE 13 -3.957 -7.722 2.826 64 HD2 PHE 13 1HD PHE 13 -2.147 -10.495 0.153 65 HE1 PHE 13 2HE PHE 13 -1.764 -7.263 3.842 66 HE2 PHE 13 1HE PHE 13 0.050 -10.042 1.165 67 HZ PHE 13 HZ PHE 13 0.244 -8.422 3.011 68 H SER 14 H SER 14 -6.624 -7.324 1.037 69 HA SER 14 HA SER 14 -5.353 -4.686 0.801 70 HB2 SER 14 1HB SER 14 -8.152 -5.256 1.785 71 HB3 SER 14 2HB SER 14 -7.488 -3.713 1.246 72 HG SER 14 HG SER 14 -7.172 -4.907 -0.839 73 H VAL 15 H VAL 15 -5.433 -3.272 2.710 74 HA VAL 15 HA VAL 15 -5.194 -4.803 5.219 75 HB VAL 15 HB VAL 15 -3.543 -2.426 4.351 76 HG11 VAL 15 1HG1 VAL 15 -2.447 -2.500 6.439 77 HG12 VAL 15 2HG1 VAL 15 -4.173 -2.551 6.805 78 HG13 VAL 15 3HG1 VAL 15 -3.212 -4.029 6.874 79 HG21 VAL 15 1HG2 VAL 15 -2.281 -4.983 5.104 80 HG22 VAL 15 2HG2 VAL 15 -3.178 -4.982 3.586 81 HG23 VAL 15 3HG2 VAL 15 -1.858 -3.838 3.831 82 H GLU 16 H GLU 16 -6.561 -4.201 6.757 83 HA GLU 16 HA GLU 16 -7.777 -1.525 6.582 84 HB2 GLU 16 1HB GLU 16 -8.905 -3.919 8.033 85 HB3 GLU 16 2HB GLU 16 -9.724 -2.408 7.661 86 HG2 GLU 16 1HG GLU 16 -9.198 -3.104 5.186 87 HG3 GLU 16 2HG GLU 16 -9.103 -4.716 5.894 88 H LEU 17 H LEU 17 -7.403 -0.116 8.164 89 HA LEU 17 HA LEU 17 -6.811 -1.016 10.857 90 HB2 LEU 17 1HB LEU 17 -4.860 0.699 9.327 91 HB3 LEU 17 2HB LEU 17 -4.736 0.247 11.026 92 HG LEU 17 HG LEU 17 -4.668 -1.747 8.768 93 HD11 LEU 17 1HD1 LEU 17 -2.445 -0.247 10.120 94 HD12 LEU 17 2HD1 LEU 17 -2.767 -0.418 8.395 95 HD13 LEU 17 3HD1 LEU 17 -2.191 -1.801 9.325 96 HD21 LEU 17 1HD2 LEU 17 -3.783 -1.968 11.642 97 HD22 LEU 17 2HD2 LEU 17 -3.798 -3.252 10.433 98 HD23 LEU 17 3HD2 LEU 17 -5.318 -2.569 11.013 99 H VAL 18 H VAL 18 -7.093 0.591 12.434 100 HA VAL 18 HA VAL 18 -8.610 2.915 11.484 101 HB VAL 18 HB VAL 18 -8.449 1.708 14.250 102 HG11 VAL 18 1HG1 VAL 18 -10.314 3.858 13.260 103 HG12 VAL 18 2HG1 VAL 18 -10.148 3.250 14.909 104 HG13 VAL 18 3HG1 VAL 18 -8.840 4.179 14.174 105 HG21 VAL 18 1HG2 VAL 18 -9.752 0.190 13.152 106 HG22 VAL 18 2HG2 VAL 18 -10.990 1.371 13.581 107 HG23 VAL 18 3HG2 VAL 18 -10.305 1.361 11.955 108 H ARG 19 H ARG 19 -7.796 4.901 11.604 109 HA ARG 19 HA ARG 19 -5.180 5.496 12.219 110 HB2 ARG 19 1HB ARG 19 -6.923 6.930 11.008 111 HB3 ARG 19 2HB ARG 19 -7.411 7.482 12.604 112 HG2 ARG 19 1HG ARG 19 -5.168 8.341 13.008 113 HG3 ARG 19 2HG ARG 19 -4.657 7.764 11.420 114 HD2 ARG 19 1HD ARG 19 -5.807 9.396 10.304 115 HD3 ARG 19 2HD ARG 19 -7.027 9.550 11.568 116 HE ARG 19 HE ARG 19 -4.458 10.439 12.435 117 HH11 ARG 19 2HH1 ARG 19 -7.282 11.355 10.618 118 HH12 ARG 19 1HH1 ARG 19 -7.055 13.054 10.872 119 HH21 ARG 19 2HH2 ARG 19 -4.148 12.673 12.777 120 HH22 ARG 19 1HH2 ARG 19 -5.271 13.802 12.099 121 H GLY 20 H GLY 20 -4.117 5.311 14.073 122 HA2 GLY 20 1HA GLY 20 -5.460 5.187 16.600 123 HA3 GLY 20 2HA GLY 20 -3.723 5.141 16.340 124 H TYR 21 H TYR 21 -3.668 6.485 18.285 125 HA TYR 21 HA TYR 21 -4.795 9.022 18.493 126 HB2 TYR 21 1HB TYR 21 -3.849 8.148 20.458 127 HB3 TYR 21 2HB TYR 21 -2.317 7.788 19.670 128 HD1 TYR 21 2HD TYR 21 -0.690 9.576 19.241 129 HD2 TYR 21 1HD TYR 21 -4.320 10.346 21.322 130 HE1 TYR 21 2HE TYR 21 0.229 11.711 20.043 131 HE2 TYR 21 1HE TYR 21 -3.412 12.484 22.129 132 HH TYR 21 HH TYR 21 -0.659 13.913 20.843 133 H ALA 22 H ALA 22 -1.809 7.971 16.946 134 HA ALA 22 HA ALA 22 -1.619 10.616 15.677 135 HB1 ALA 22 1HB ALA 22 0.409 9.237 17.310 136 HB2 ALA 22 2HB ALA 22 0.988 9.957 15.807 137 HB3 ALA 22 3HB ALA 22 0.170 10.958 17.007 138 H GLY 23 H GLY 23 -2.521 9.804 13.774 139 HA2 GLY 23 1HA GLY 23 -2.481 8.845 11.689 140 HA3 GLY 23 2HA GLY 23 -0.737 8.751 11.886 141 H PHE 24 H PHE 24 -0.524 6.750 10.918 142 HA PHE 24 HA PHE 24 -1.844 4.501 12.284 143 HB2 PHE 24 1HB PHE 24 -0.788 4.795 9.475 144 HB3 PHE 24 2HB PHE 24 -1.174 3.226 10.173 145 HD1 PHE 24 1HD PHE 24 -3.536 2.818 10.976 146 HD2 PHE 24 2HD PHE 24 -2.453 6.143 8.549 147 HE1 PHE 24 1HE PHE 24 -5.892 3.110 10.330 148 HE2 PHE 24 2HE PHE 24 -4.808 6.440 7.900 149 HZ PHE 24 HZ PHE 24 -6.531 4.923 8.791 150 H GLY 25 H GLY 25 1.167 6.005 11.617 151 HA2 GLY 25 1HA GLY 25 3.245 5.561 12.527 152 HA3 GLY 25 2HA GLY 25 2.547 4.168 13.340 153 H LEU 26 H LEU 26 2.198 4.536 9.905 154 HA LEU 26 HA LEU 26 3.990 2.238 9.533 155 HB2 LEU 26 1HB LEU 26 1.550 2.115 8.862 156 HB3 LEU 26 2HB LEU 26 1.942 3.266 7.585 157 HG LEU 26 HG LEU 26 3.416 1.672 6.538 158 HD11 LEU 26 1HD1 LEU 26 3.067 -0.751 7.732 159 HD12 LEU 26 2HD1 LEU 26 3.185 0.325 9.124 160 HD13 LEU 26 3HD1 LEU 26 4.482 0.283 7.930 161 HD21 LEU 26 1HD2 LEU 26 0.639 0.828 7.214 162 HD22 LEU 26 2HD2 LEU 26 1.671 -0.271 6.298 163 HD23 LEU 26 3HD2 LEU 26 1.319 1.340 5.669 164 H THR 27 H THR 27 5.783 2.400 8.332 165 HA THR 27 HA THR 27 6.200 4.895 6.816 166 HB THR 27 HB THR 27 8.416 3.278 8.067 167 HG1 THR 27 1HG THR 27 8.290 5.260 9.565 168 HG21 THR 27 1HG2 THR 27 9.210 4.709 6.338 169 HG22 THR 27 2HG2 THR 27 9.590 5.503 7.866 170 HG23 THR 27 3HG2 THR 27 8.217 6.051 6.905 171 H LEU 28 H LEU 28 7.416 4.762 4.884 172 HA LEU 28 HA LEU 28 7.726 2.043 3.796 173 HB2 LEU 28 1HB LEU 28 6.390 4.438 2.616 174 HB3 LEU 28 2HB LEU 28 7.173 3.270 1.554 175 HG LEU 28 HG LEU 28 5.113 2.394 3.550 176 HD11 LEU 28 1HD1 LEU 28 3.799 3.933 2.462 177 HD12 LEU 28 2HD1 LEU 28 3.585 2.515 1.437 178 HD13 LEU 28 3HD1 LEU 28 4.696 3.795 0.950 179 HD21 LEU 28 1HD2 LEU 28 5.883 0.464 2.693 180 HD22 LEU 28 2HD2 LEU 28 6.569 1.247 1.268 181 HD23 LEU 28 3HD2 LEU 28 4.845 0.873 1.326 182 H GLY 29 H GLY 29 9.628 1.617 2.842 183 HA2 GLY 29 1HA GLY 29 11.465 3.895 2.433 184 HA3 GLY 29 2HA GLY 29 11.984 2.295 2.942 185 H GLY 30 H GLY 30 12.006 4.322 0.405 186 HA2 GLY 30 1HA GLY 30 13.109 3.465 -1.610 187 HA3 GLY 30 2HA GLY 30 12.029 2.082 -1.522 188 H GLY 31 H GLY 31 11.012 2.271 -3.463 189 HA2 GLY 31 1HA GLY 31 9.091 3.000 -4.616 190 HA3 GLY 31 2HA GLY 31 9.136 4.498 -3.699 191 H ARG 32 H ARG 32 8.810 5.622 -5.695 192 HA ARG 32 HA ARG 32 10.847 5.468 -7.736 193 HB2 ARG 32 1HB ARG 32 8.288 6.020 -7.971 194 HB3 ARG 32 2HB ARG 32 8.814 7.659 -7.612 195 HG2 ARG 32 1HG ARG 32 8.814 7.590 -9.926 196 HG3 ARG 32 2HG ARG 32 10.507 7.307 -9.515 197 HD2 ARG 32 1HD ARG 32 10.165 5.648 -11.060 198 HD3 ARG 32 2HD ARG 32 9.772 4.790 -9.571 199 HE ARG 32 HE ARG 32 7.589 4.653 -10.260 200 HH11 ARG 32 2HH1 ARG 32 9.284 6.959 -12.241 201 HH12 ARG 32 1HH1 ARG 32 7.987 7.134 -13.377 202 HH21 ARG 32 2HH2 ARG 32 5.874 4.874 -11.748 203 HH22 ARG 32 1HH2 ARG 32 6.047 5.948 -13.094 204 H ASP 33 H ASP 33 12.670 6.595 -7.771 205 HA ASP 33 HA ASP 33 12.870 8.989 -6.063 206 HB2 ASP 33 1HB ASP 33 14.884 6.847 -6.710 207 HB3 ASP 33 2HB ASP 33 15.390 8.436 -6.140 208 H VAL 34 H VAL 34 14.406 10.641 -6.815 209 HA VAL 34 HA VAL 34 13.847 11.562 -9.360 210 HB VAL 34 HB VAL 34 16.292 12.165 -7.689 211 HG11 VAL 34 1HG1 VAL 34 16.998 13.526 -9.296 212 HG12 VAL 34 2HG1 VAL 34 15.733 12.885 -10.347 213 HG13 VAL 34 3HG1 VAL 34 15.427 14.321 -9.369 214 HG21 VAL 34 1HG2 VAL 34 14.817 14.301 -7.314 215 HG22 VAL 34 2HG2 VAL 34 13.496 13.205 -7.719 216 HG23 VAL 34 3HG2 VAL 34 14.551 12.847 -6.352 217 H ALA 35 H ALA 35 16.655 9.702 -8.254 218 HA ALA 35 HA ALA 35 17.258 9.103 -11.075 219 HB1 ALA 35 1HB ALA 35 19.223 9.671 -8.861 220 HB2 ALA 35 2HB ALA 35 19.663 9.018 -10.440 221 HB3 ALA 35 3HB ALA 35 18.948 10.626 -10.319 222 H GLY 36 H GLY 36 15.771 7.703 -8.818 223 HA2 GLY 36 1HA GLY 36 17.138 5.125 -9.166 224 HA3 GLY 36 2HA GLY 36 16.701 5.641 -7.544 225 H ASP 37 H ASP 37 15.809 3.288 -8.998 226 HA ASP 37 HA ASP 37 12.919 3.813 -8.887 227 HB2 ASP 37 1HB ASP 37 12.617 2.173 -10.750 228 HB3 ASP 37 2HB ASP 37 13.442 3.653 -11.233 229 H THR 38 H THR 38 12.267 2.773 -7.119 230 HA THR 38 HA THR 38 12.917 -0.071 -6.864 231 HB THR 38 HB THR 38 13.304 0.137 -4.448 232 HG1 THR 38 1HG THR 38 13.495 2.189 -3.520 233 HG21 THR 38 1HG2 THR 38 15.244 0.139 -5.908 234 HG22 THR 38 2HG2 THR 38 15.519 1.227 -4.547 235 HG23 THR 38 3HG2 THR 38 15.104 1.883 -6.131 236 HA PRO 39 HA PRO 39 8.604 -0.412 -6.045 237 HB2 PRO 39 1HB PRO 39 8.591 -2.821 -4.795 238 HB3 PRO 39 2HB PRO 39 8.840 -2.644 -6.536 239 HG2 PRO 39 1HG PRO 39 10.862 -3.041 -4.364 240 HG3 PRO 39 2HG PRO 39 10.776 -3.799 -5.965 241 HD2 PRO 39 1HD PRO 39 12.434 -1.729 -5.420 242 HD3 PRO 39 2HD PRO 39 11.701 -1.970 -7.019 243 H LEU 40 H LEU 40 7.419 0.546 -4.524 244 HA LEU 40 HA LEU 40 8.389 1.285 -2.007 245 HB2 LEU 40 1HB LEU 40 5.677 1.207 -3.256 246 HB3 LEU 40 2HB LEU 40 5.838 1.585 -1.542 247 HG LEU 40 HG LEU 40 7.192 3.132 -3.748 248 HD11 LEU 40 1HD1 LEU 40 5.190 4.650 -2.460 249 HD12 LEU 40 2HD1 LEU 40 4.455 3.127 -2.959 250 HD13 LEU 40 3HD1 LEU 40 5.265 4.146 -4.148 251 HD21 LEU 40 1HD2 LEU 40 7.026 3.382 -0.778 252 HD22 LEU 40 2HD2 LEU 40 7.173 4.834 -1.769 253 HD23 LEU 40 3HD2 LEU 40 8.413 3.582 -1.849 254 H ALA 41 H ALA 41 8.422 0.322 -0.069 255 HA ALA 41 HA ALA 41 6.664 -1.904 0.529 256 HB1 ALA 41 1HB ALA 41 9.577 -2.442 0.903 257 HB2 ALA 41 2HB ALA 41 8.234 -3.576 0.756 258 HB3 ALA 41 3HB ALA 41 8.829 -2.725 -0.670 259 H VAL 42 H VAL 42 6.542 -2.392 2.752 260 HA VAL 42 HA VAL 42 6.736 -0.264 4.509 261 HB VAL 42 HB VAL 42 6.785 -3.205 5.200 262 HG11 VAL 42 1HG1 VAL 42 7.153 -0.986 6.865 263 HG12 VAL 42 2HG1 VAL 42 5.487 -1.507 7.123 264 HG13 VAL 42 3HG1 VAL 42 6.814 -2.647 7.350 265 HG21 VAL 42 1HG2 VAL 42 4.763 -3.124 4.213 266 HG22 VAL 42 2HG2 VAL 42 4.267 -2.346 5.716 267 HG23 VAL 42 3HG2 VAL 42 4.672 -1.365 4.308 268 H ARG 43 H ARG 43 8.262 0.531 5.851 269 HA ARG 43 HA ARG 43 10.915 -0.740 5.752 270 HB2 ARG 43 1HB ARG 43 10.590 1.614 4.814 271 HB3 ARG 43 2HB ARG 43 10.363 2.132 6.479 272 HG2 ARG 43 1HG ARG 43 12.794 0.563 5.784 273 HG3 ARG 43 2HG ARG 43 12.710 2.266 5.329 274 HD2 ARG 43 1HD ARG 43 12.235 1.227 8.119 275 HD3 ARG 43 2HD ARG 43 13.783 1.842 7.541 276 HE ARG 43 HE ARG 43 11.983 3.837 7.011 277 HH11 ARG 43 2HH1 ARG 43 13.008 2.095 9.845 278 HH12 ARG 43 1HH1 ARG 43 12.712 3.418 10.925 279 HH21 ARG 43 2HH2 ARG 43 11.588 5.585 8.421 280 HH22 ARG 43 1HH2 ARG 43 11.903 5.402 10.114 281 H GLY 44 H GLY 44 9.302 1.549 7.964 282 HA2 GLY 44 1HA GLY 44 10.160 -0.193 10.193 283 HA3 GLY 44 2HA GLY 44 10.166 1.562 10.287 284 H LEU 45 H LEU 45 8.803 -0.394 11.989 285 HA LEU 45 HA LEU 45 6.009 0.394 11.486 286 HB2 LEU 45 1HB LEU 45 7.226 -2.060 12.675 287 HB3 LEU 45 2HB LEU 45 5.606 -1.567 13.165 288 HG LEU 45 HG LEU 45 6.359 -2.032 10.288 289 HD11 LEU 45 1HD1 LEU 45 4.866 -4.186 10.962 290 HD12 LEU 45 2HD1 LEU 45 5.817 -3.966 12.431 291 HD13 LEU 45 3HD1 LEU 45 6.628 -4.181 10.879 292 HD21 LEU 45 1HD2 LEU 45 3.911 -1.359 11.784 293 HD22 LEU 45 2HD2 LEU 45 3.734 -2.589 10.532 294 HD23 LEU 45 3HD2 LEU 45 4.365 -0.994 10.119 295 H LEU 46 H LEU 46 5.511 2.097 12.703 296 HA LEU 46 HA LEU 46 6.844 2.913 15.021 297 HB2 LEU 46 1HB LEU 46 5.125 4.113 13.419 298 HB3 LEU 46 2HB LEU 46 3.971 3.593 14.645 299 HG LEU 46 HG LEU 46 4.689 5.898 15.003 300 HD11 LEU 46 1HD1 LEU 46 5.006 5.743 17.302 301 HD12 LEU 46 2HD1 LEU 46 5.948 4.258 17.171 302 HD13 LEU 46 3HD1 LEU 46 4.207 4.225 16.892 303 HD21 LEU 46 1HD2 LEU 46 6.882 6.568 15.295 304 HD22 LEU 46 2HD2 LEU 46 7.028 5.367 14.012 305 HD23 LEU 46 3HD2 LEU 46 7.440 4.938 15.673 306 H LYS 47 H LYS 47 6.947 1.874 16.891 307 HA LYS 47 HA LYS 47 5.298 -0.215 17.708 308 HB2 LYS 47 1HB LYS 47 7.510 0.155 18.663 309 HB3 LYS 47 2HB LYS 47 6.969 1.662 19.391 310 HG2 LYS 47 1HG LYS 47 7.065 -0.084 21.054 311 HG3 LYS 47 2HG LYS 47 5.390 0.406 20.788 312 HD2 LYS 47 1HD LYS 47 5.381 -1.959 20.892 313 HD3 LYS 47 2HD LYS 47 5.207 -1.541 19.186 314 HE2 LYS 47 1HE LYS 47 6.796 -3.239 19.162 315 HE3 LYS 47 2HE LYS 47 7.770 -1.771 19.093 316 HZ1 LYS 47 1HZ LYS 47 8.736 -2.276 21.011 317 HZ2 LYS 47 2HZ LYS 47 8.024 -3.806 20.904 318 HZ3 LYS 47 3HZ LYS 47 7.260 -2.577 21.780 319 H ASP 48 H ASP 48 3.845 -0.288 19.584 320 HA ASP 48 HA ASP 48 1.904 0.315 20.607 321 HB2 ASP 48 1HB ASP 48 3.547 2.814 20.734 322 HB3 ASP 48 2HB ASP 48 1.868 2.864 21.265 323 H GLY 49 H GLY 49 2.153 0.513 17.646 324 HA2 GLY 49 1HA GLY 49 -0.031 2.446 17.171 325 HA3 GLY 49 2HA GLY 49 1.192 2.051 15.973 326 HA PRO 50 HA PRO 50 -2.683 -0.658 15.584 327 HB2 PRO 50 1HB PRO 50 -3.645 0.414 13.283 328 HB3 PRO 50 2HB PRO 50 -4.110 1.001 14.884 329 HG2 PRO 50 1HG PRO 50 -2.092 2.112 12.972 330 HG3 PRO 50 2HG PRO 50 -3.296 2.969 13.952 331 HD2 PRO 50 1HD PRO 50 -0.689 2.803 14.665 332 HD3 PRO 50 2HD PRO 50 -2.003 2.869 15.857 333 H ALA 51 H ALA 51 -0.500 0.650 13.108 334 HA ALA 51 HA ALA 51 -0.715 -1.546 11.332 335 HB1 ALA 51 1HB ALA 51 1.831 -0.268 11.085 336 HB2 ALA 51 2HB ALA 51 0.432 -0.180 10.014 337 HB3 ALA 51 3HB ALA 51 0.585 0.951 11.358 338 H GLN 52 H GLN 52 1.269 -0.908 14.134 339 HA GLN 52 HA GLN 52 2.982 -3.199 13.616 340 HB2 GLN 52 1HB GLN 52 4.048 -1.249 14.549 341 HB3 GLN 52 2HB GLN 52 2.897 -1.198 15.877 342 HG2 GLN 52 1HG GLN 52 4.976 -2.075 16.672 343 HG3 GLN 52 2HG GLN 52 3.771 -3.362 16.674 344 HE21 GLN 52 1HE2 GLN 52 3.983 -5.074 15.264 345 HE22 GLN 52 2HE2 GLN 52 5.431 -5.376 14.372 346 H ARG 53 H ARG 53 0.445 -2.211 15.868 347 HA ARG 53 HA ARG 53 0.558 -4.465 17.550 348 HB2 ARG 53 1HB ARG 53 -1.549 -2.421 16.936 349 HB3 ARG 53 2HB ARG 53 -1.934 -3.807 17.948 350 HG2 ARG 53 1HG ARG 53 -0.505 -3.132 19.641 351 HG3 ARG 53 2HG ARG 53 0.436 -2.095 18.567 352 HD2 ARG 53 1HD ARG 53 -1.119 -0.398 18.625 353 HD3 ARG 53 2HD ARG 53 -2.448 -1.487 19.020 354 HE ARG 53 HE ARG 53 -0.880 -0.049 20.856 355 HH11 ARG 53 2HH1 ARG 53 -2.251 -3.216 20.393 356 HH12 ARG 53 1HH1 ARG 53 -2.382 -3.550 22.088 357 HH21 ARG 53 2HH2 ARG 53 -1.048 -0.477 23.090 358 HH22 ARG 53 1HH2 ARG 53 -1.698 -1.991 23.621 359 H CYS 54 H CYS 54 -1.549 -3.751 14.769 360 HA CYS 54 HA CYS 54 -3.038 -6.086 14.761 361 HB2 CYS 54 1HB CYS 54 -3.513 -5.627 12.431 362 HB3 CYS 54 2HB CYS 54 -3.474 -4.109 13.320 363 HG CYS 54 HG CYS 54 -1.083 -3.233 12.345 364 H GLY 55 H GLY 55 0.227 -5.513 13.640 365 HA2 GLY 55 1HA GLY 55 1.873 -6.956 12.950 366 HA3 GLY 55 2HA GLY 55 0.942 -8.229 13.726 367 H ARG 56 H ARG 56 -0.156 -6.210 11.055 368 HA ARG 56 HA ARG 56 -0.478 -8.643 9.451 369 HB2 ARG 56 1HB ARG 56 -1.752 -5.914 9.296 370 HB3 ARG 56 2HB ARG 56 -1.932 -7.116 8.025 371 HG2 ARG 56 1HG ARG 56 -2.705 -8.640 10.019 372 HG3 ARG 56 2HG ARG 56 -3.047 -7.084 10.779 373 HD2 ARG 56 1HD ARG 56 -5.048 -7.470 9.742 374 HD3 ARG 56 2HD ARG 56 -4.205 -6.590 8.468 375 HE ARG 56 HE ARG 56 -3.722 -9.342 8.167 376 HH11 ARG 56 2HH1 ARG 56 -6.291 -7.013 7.855 377 HH12 ARG 56 1HH1 ARG 56 -7.129 -7.907 6.631 378 HH21 ARG 56 2HH2 ARG 56 -4.817 -10.529 6.556 379 HH22 ARG 56 1HH2 ARG 56 -6.291 -9.907 5.893 380 H LEU 57 H LEU 57 0.853 -5.371 9.307 381 HA LEU 57 HA LEU 57 2.044 -5.921 6.700 382 HB2 LEU 57 1HB LEU 57 1.924 -3.440 8.401 383 HB3 LEU 57 2HB LEU 57 2.811 -3.537 6.881 384 HG LEU 57 HG LEU 57 -0.102 -4.194 6.917 385 HD11 LEU 57 1HD1 LEU 57 0.049 -1.527 6.186 386 HD12 LEU 57 2HD1 LEU 57 1.037 -1.634 7.643 387 HD13 LEU 57 3HD1 LEU 57 -0.641 -2.174 7.674 388 HD21 LEU 57 1HD2 LEU 57 0.876 -4.612 4.846 389 HD22 LEU 57 2HD2 LEU 57 1.910 -3.185 4.937 390 HD23 LEU 57 3HD2 LEU 57 0.177 -3.003 4.655 391 H GLU 58 H GLU 58 4.005 -6.765 6.553 392 HA GLU 58 HA GLU 58 5.851 -6.453 8.823 393 HB2 GLU 58 1HB GLU 58 5.822 -8.545 6.640 394 HB3 GLU 58 2HB GLU 58 6.989 -8.460 7.952 395 HG2 GLU 58 1HG GLU 58 5.018 -8.658 9.530 396 HG3 GLU 58 2HG GLU 58 4.059 -9.082 8.113 397 H VAL 59 H VAL 59 8.034 -5.947 8.446 398 HA VAL 59 HA VAL 59 8.529 -3.989 6.519 399 HB VAL 59 HB VAL 59 10.487 -5.671 8.085 400 HG11 VAL 59 1HG1 VAL 59 11.009 -4.040 5.863 401 HG12 VAL 59 2HG1 VAL 59 11.509 -3.114 7.280 402 HG13 VAL 59 3HG1 VAL 59 12.174 -4.723 6.996 403 HG21 VAL 59 1HG2 VAL 59 10.665 -3.670 9.499 404 HG22 VAL 59 2HG2 VAL 59 9.423 -2.882 8.527 405 HG23 VAL 59 3HG2 VAL 59 9.023 -4.315 9.475 406 H GLY 60 H GLY 60 8.658 -4.232 4.390 407 HA2 GLY 60 1HA GLY 60 10.192 -5.098 2.631 408 HA3 GLY 60 2HA GLY 60 9.942 -6.683 3.348 409 H ASP 61 H ASP 61 7.027 -5.744 3.762 410 HA ASP 61 HA ASP 61 5.864 -7.138 1.676 411 HB2 ASP 61 1HB ASP 61 4.862 -5.122 3.638 412 HB3 ASP 61 2HB ASP 61 3.813 -5.578 2.298 413 H LEU 62 H LEU 62 5.324 -6.698 -0.374 414 HA LEU 62 HA LEU 62 6.150 -4.150 -1.490 415 HB2 LEU 62 1HB LEU 62 4.921 -6.450 -2.981 416 HB3 LEU 62 2HB LEU 62 5.948 -5.164 -3.614 417 HG LEU 62 HG LEU 62 6.915 -7.281 -1.698 418 HD11 LEU 62 1HD1 LEU 62 6.184 -8.352 -3.748 419 HD12 LEU 62 2HD1 LEU 62 7.944 -8.343 -3.653 420 HD13 LEU 62 3HD1 LEU 62 7.113 -7.198 -4.706 421 HD21 LEU 62 1HD2 LEU 62 8.158 -5.021 -3.188 422 HD22 LEU 62 2HD2 LEU 62 9.102 -6.486 -2.920 423 HD23 LEU 62 3HD2 LEU 62 8.454 -5.590 -1.545 424 H VAL 63 H VAL 63 4.830 -2.536 -2.038 425 HA VAL 63 HA VAL 63 1.953 -2.915 -1.676 426 HB VAL 63 HB VAL 63 3.395 -0.309 -2.154 427 HG11 VAL 63 1HG1 VAL 63 0.748 -0.878 -0.827 428 HG12 VAL 63 2HG1 VAL 63 1.432 0.704 -1.206 429 HG13 VAL 63 3HG1 VAL 63 0.936 -0.378 -2.507 430 HG21 VAL 63 1HG2 VAL 63 3.041 -0.122 0.414 431 HG22 VAL 63 2HG2 VAL 63 3.007 -1.884 0.360 432 HG23 VAL 63 3HG2 VAL 63 4.431 -1.012 -0.207 433 H LEU 64 H LEU 64 0.685 -3.242 -3.370 434 HA LEU 64 HA LEU 64 1.671 -2.669 -6.049 435 HB2 LEU 64 1HB LEU 64 -0.718 -4.171 -5.010 436 HB3 LEU 64 2HB LEU 64 -0.464 -3.850 -6.724 437 HG LEU 64 HG LEU 64 0.197 -6.135 -6.001 438 HD11 LEU 64 1HD1 LEU 64 1.605 -4.295 -7.630 439 HD12 LEU 64 2HD1 LEU 64 1.520 -6.051 -7.775 440 HD13 LEU 64 3HD1 LEU 64 2.792 -5.307 -6.806 441 HD21 LEU 64 1HD2 LEU 64 2.243 -6.422 -4.714 442 HD22 LEU 64 2HD2 LEU 64 1.029 -5.556 -3.772 443 HD23 LEU 64 3HD2 LEU 64 2.372 -4.675 -4.504 444 H HIS 65 H HIS 65 -1.242 -1.994 -4.113 445 HA HIS 65 HA HIS 65 -1.520 0.549 -5.542 446 HB2 HIS 65 1HB HIS 65 -3.840 -1.329 -5.059 447 HB3 HIS 65 2HB HIS 65 -3.901 0.231 -5.874 448 HD1 HIS 65 1HD HIS 65 -1.602 -0.026 -7.841 449 HD2 HIS 65 2HD HIS 65 -4.301 -3.090 -7.067 450 HE1 HIS 65 1HE HIS 65 -1.533 -1.512 -9.869 451 HE2 HIS 65 2HE HIS 65 -3.235 -3.311 -9.414 452 H ILE 66 H ILE 66 -3.578 1.708 -4.430 453 HA ILE 66 HA ILE 66 -3.610 1.269 -1.557 454 HB ILE 66 HB ILE 66 -2.625 3.859 -2.758 455 HG12 ILE 66 1HG1 ILE 66 -1.287 1.982 -0.800 456 HG13 ILE 66 2HG1 ILE 66 -0.963 2.000 -2.530 457 HG21 ILE 66 1HG2 ILE 66 -3.449 4.898 -0.980 458 HG22 ILE 66 2HG2 ILE 66 -4.065 3.376 -0.338 459 HG23 ILE 66 3HG2 ILE 66 -2.425 3.897 0.049 460 HD11 ILE 66 1HD1 ILE 66 0.314 3.839 -2.399 461 HD12 ILE 66 2HD1 ILE 66 -0.701 4.589 -1.167 462 HD13 ILE 66 3HD1 ILE 66 0.474 3.356 -0.711 463 H ASN 67 H ASN 67 -5.625 1.506 -0.864 464 HA ASN 67 HA ASN 67 -7.822 2.086 -0.753 465 HB2 ASN 67 1HB ASN 67 -6.563 4.601 -1.808 466 HB3 ASN 67 2HB ASN 67 -8.310 4.497 -1.609 467 HD21 ASN 67 1HD2 ASN 67 -5.301 4.920 -0.070 468 HD22 ASN 67 2HD2 ASN 67 -5.887 5.066 1.549 469 H GLY 68 H GLY 68 -7.173 0.463 -2.891 470 HA2 GLY 68 1HA GLY 68 -8.054 -0.331 -4.856 471 HA3 GLY 68 2HA GLY 68 -9.426 0.720 -4.539 472 H GLU 69 H GLU 69 -6.332 2.205 -4.768 473 HA GLU 69 HA GLU 69 -6.995 3.134 -7.486 474 HB2 GLU 69 1HB GLU 69 -7.254 4.879 -5.735 475 HB3 GLU 69 2HB GLU 69 -5.554 4.685 -5.329 476 HG2 GLU 69 1HG GLU 69 -5.673 6.579 -6.705 477 HG3 GLU 69 2HG GLU 69 -5.041 5.287 -7.725 478 H SER 70 H SER 70 -5.586 2.536 -8.980 479 HA SER 70 HA SER 70 -3.187 1.183 -8.405 480 HB2 SER 70 1HB SER 70 -2.732 1.515 -10.882 481 HB3 SER 70 2HB SER 70 -4.257 0.724 -10.487 482 HG SER 70 HG SER 70 -4.200 2.578 -12.081 483 H THR 71 H THR 71 -1.424 2.051 -7.553 484 HA THR 71 HA THR 71 -0.850 4.864 -7.780 485 HB THR 71 HB THR 71 -0.376 3.632 -5.693 486 HG1 THR 71 1HG THR 71 1.977 4.362 -5.665 487 HG21 THR 71 1HG2 THR 71 1.495 2.128 -7.492 488 HG22 THR 71 2HG2 THR 71 0.338 1.503 -6.317 489 HG23 THR 71 3HG2 THR 71 1.825 2.275 -5.767 490 H GLN 72 H GLN 72 -0.574 2.614 -10.009 491 HA GLN 72 HA GLN 72 2.049 2.477 -10.868 492 HB2 GLN 72 1HB GLN 72 -0.576 2.440 -12.317 493 HB3 GLN 72 2HB GLN 72 0.930 2.406 -13.225 494 HG2 GLN 72 1HG GLN 72 1.581 0.354 -12.247 495 HG3 GLN 72 2HG GLN 72 0.297 0.443 -11.043 496 HE21 GLN 72 1HE2 GLN 72 0.864 -1.682 -12.912 497 HE22 GLN 72 2HE2 GLN 72 -0.548 -1.874 -13.888 498 H GLY 73 H GLY 73 -0.386 4.951 -11.648 499 HA2 GLY 73 1HA GLY 73 1.550 6.517 -13.128 500 HA3 GLY 73 2HA GLY 73 -0.130 6.939 -12.833 501 H LEU 74 H LEU 74 0.799 6.165 -9.879 502 HA LEU 74 HA LEU 74 1.466 8.935 -9.213 503 HB2 LEU 74 1HB LEU 74 0.512 6.635 -7.517 504 HB3 LEU 74 2HB LEU 74 0.920 8.229 -6.885 505 HG LEU 74 HG LEU 74 -1.259 7.733 -8.909 506 HD11 LEU 74 1HD1 LEU 74 -2.557 8.410 -6.647 507 HD12 LEU 74 2HD1 LEU 74 -1.225 7.468 -5.977 508 HD13 LEU 74 3HD1 LEU 74 -2.300 6.746 -7.174 509 HD21 LEU 74 1HD2 LEU 74 -1.869 10.026 -7.616 510 HD22 LEU 74 2HD2 LEU 74 -0.967 9.953 -9.130 511 HD23 LEU 74 3HD2 LEU 74 -0.106 10.100 -7.597 512 H THR 75 H THR 75 2.973 9.231 -7.319 513 HA THR 75 HA THR 75 5.259 7.388 -7.585 514 HB THR 75 HB THR 75 6.650 9.384 -6.855 515 HG1 THR 75 1HG THR 75 5.644 11.206 -6.495 516 HG21 THR 75 1HG2 THR 75 6.716 8.659 -9.145 517 HG22 THR 75 2HG2 THR 75 6.611 10.419 -9.129 518 HG23 THR 75 3HG2 THR 75 5.180 9.454 -9.490 519 H HIS 76 H HIS 76 6.814 7.731 -5.603 520 HA HIS 76 HA HIS 76 5.674 6.590 -3.376 521 HB2 HIS 76 1HB HIS 76 8.015 6.491 -3.497 522 HB3 HIS 76 2HB HIS 76 8.169 8.229 -3.734 523 HD1 HIS 76 1HD HIS 76 9.821 8.416 -1.753 524 HD2 HIS 76 2HD HIS 76 6.067 6.974 -0.709 525 HE1 HIS 76 1HE HIS 76 9.734 8.522 0.758 526 HE2 HIS 76 2HE HIS 76 7.487 7.565 1.371 527 H ALA 77 H ALA 77 6.407 10.040 -3.860 528 HA ALA 77 HA ALA 77 5.468 10.984 -1.415 529 HB1 ALA 77 1HB ALA 77 5.066 13.144 -2.729 530 HB2 ALA 77 2HB ALA 77 6.706 12.495 -2.697 531 HB3 ALA 77 3HB ALA 77 5.692 12.260 -4.121 532 H GLN 78 H GLN 78 3.723 11.010 -4.533 533 HA GLN 78 HA GLN 78 1.277 11.892 -3.644 534 HB2 GLN 78 1HB GLN 78 1.849 9.853 -5.799 535 HB3 GLN 78 2HB GLN 78 0.303 10.661 -5.577 536 HG2 GLN 78 1HG GLN 78 2.900 12.066 -6.152 537 HG3 GLN 78 2HG GLN 78 1.692 11.644 -7.364 538 HE21 GLN 78 1HE2 GLN 78 2.408 14.216 -7.155 539 HE22 GLN 78 2HE2 GLN 78 1.149 15.151 -6.429 540 H ALA 79 H ALA 79 2.304 8.492 -3.941 541 HA ALA 79 HA ALA 79 0.057 7.228 -3.005 542 HB1 ALA 79 1HB ALA 79 1.671 5.771 -3.748 543 HB2 ALA 79 2HB ALA 79 2.963 6.573 -2.853 544 HB3 ALA 79 3HB ALA 79 1.800 5.555 -2.002 545 H VAL 80 H VAL 80 2.817 8.292 -1.007 546 HA VAL 80 HA VAL 80 1.873 7.587 1.479 547 HB VAL 80 HB VAL 80 3.421 10.095 0.815 548 HG11 VAL 80 1HG1 VAL 80 2.275 9.598 3.176 549 HG12 VAL 80 2HG1 VAL 80 3.765 8.676 3.388 550 HG13 VAL 80 3HG1 VAL 80 3.838 10.400 3.023 551 HG21 VAL 80 1HG2 VAL 80 5.264 8.859 0.538 552 HG22 VAL 80 2HG2 VAL 80 4.877 7.815 1.906 553 HG23 VAL 80 3HG2 VAL 80 4.164 7.497 0.325 554 H GLU 81 H GLU 81 1.028 10.392 -0.469 555 HA GLU 81 HA GLU 81 -0.434 11.744 1.562 556 HB2 GLU 81 1HB GLU 81 0.388 12.995 -0.321 557 HB3 GLU 81 2HB GLU 81 -0.487 11.968 -1.449 558 HG2 GLU 81 1HG GLU 81 -2.586 12.833 -0.726 559 HG3 GLU 81 2HG GLU 81 -1.829 13.702 0.608 560 H ARG 82 H ARG 82 -1.368 9.588 -1.094 561 HA ARG 82 HA ARG 82 -4.120 9.718 -0.860 562 HB2 ARG 82 1HB ARG 82 -2.329 7.407 -1.608 563 HB3 ARG 82 2HB ARG 82 -4.082 7.336 -1.729 564 HG2 ARG 82 1HG ARG 82 -2.501 9.488 -3.089 565 HG3 ARG 82 2HG ARG 82 -2.761 7.909 -3.833 566 HD2 ARG 82 1HD ARG 82 -4.846 9.917 -3.001 567 HD3 ARG 82 2HD ARG 82 -4.451 9.395 -4.638 568 HE ARG 82 HE ARG 82 -5.193 7.095 -3.453 569 HH11 ARG 82 2HH1 ARG 82 -6.672 10.242 -3.625 570 HH12 ARG 82 1HH1 ARG 82 -8.291 9.630 -3.537 571 HH21 ARG 82 2HH2 ARG 82 -7.319 6.277 -3.337 572 HH22 ARG 82 1HH2 ARG 82 -8.657 7.374 -3.372 573 H ILE 83 H ILE 83 -1.808 8.214 1.235 574 HA ILE 83 HA ILE 83 -3.688 6.521 2.590 575 HB ILE 83 HB ILE 83 -1.006 7.410 3.638 576 HG12 ILE 83 1HG1 ILE 83 -1.613 5.066 1.823 577 HG13 ILE 83 2HG1 ILE 83 -0.775 6.535 1.337 578 HG21 ILE 83 1HG2 ILE 83 -3.032 5.778 4.688 579 HG22 ILE 83 2HG2 ILE 83 -1.740 4.692 4.178 580 HG23 ILE 83 3HG2 ILE 83 -1.396 6.001 5.309 581 HD11 ILE 83 1HD1 ILE 83 0.777 4.710 1.742 582 HD12 ILE 83 2HD1 ILE 83 1.028 6.025 2.890 583 HD13 ILE 83 3HD1 ILE 83 0.184 4.562 3.396 584 H ARG 84 H ARG 84 -1.796 9.328 3.728 585 HA ARG 84 HA ARG 84 -3.125 9.746 6.110 586 HB2 ARG 84 1HB ARG 84 -2.023 11.769 6.238 587 HB3 ARG 84 2HB ARG 84 -1.038 10.924 5.050 588 HG2 ARG 84 1HG ARG 84 -2.170 12.090 3.247 589 HG3 ARG 84 2HG ARG 84 -3.217 12.902 4.413 590 HD2 ARG 84 1HD ARG 84 -0.247 13.128 4.657 591 HD3 ARG 84 2HD ARG 84 -1.110 14.120 3.483 592 HE ARG 84 HE ARG 84 -1.092 14.435 6.333 593 HH11 ARG 84 2HH1 ARG 84 -2.909 15.002 3.418 594 HH12 ARG 84 1HH1 ARG 84 -3.799 16.335 4.076 595 HH21 ARG 84 2HH2 ARG 84 -2.257 16.189 7.211 596 HH22 ARG 84 1HH2 ARG 84 -3.427 17.010 6.234 597 H ALA 85 H ALA 85 -3.936 10.962 2.888 598 HA ALA 85 HA ALA 85 -6.170 12.507 3.784 599 HB1 ALA 85 1HB ALA 85 -4.777 12.052 1.307 600 HB2 ALA 85 2HB ALA 85 -6.523 11.974 1.065 601 HB3 ALA 85 3HB ALA 85 -5.796 13.408 1.789 602 H GLY 86 H GLY 86 -5.676 9.202 3.334 603 HA2 GLY 86 1HA GLY 86 -8.036 8.252 2.244 604 HA3 GLY 86 2HA GLY 86 -7.101 7.407 3.470 605 H GLY 87 H GLY 87 -7.387 9.064 5.648 606 HA2 GLY 87 1HA GLY 87 -9.273 10.225 6.786 607 HA3 GLY 87 2HA GLY 87 -10.309 8.987 6.090 608 HA PRO 88 HA PRO 88 -9.409 7.577 10.355 609 HB2 PRO 88 1HB PRO 88 -11.846 6.436 10.715 610 HB3 PRO 88 2HB PRO 88 -11.542 8.156 10.985 611 HG2 PRO 88 1HG PRO 88 -12.753 6.797 8.608 612 HG3 PRO 88 2HG PRO 88 -13.259 8.289 9.423 613 HD2 PRO 88 1HD PRO 88 -11.826 8.298 7.125 614 HD3 PRO 88 2HD PRO 88 -11.657 9.562 8.361 615 H GLN 89 H GLN 89 -10.616 5.955 7.504 616 HA GLN 89 HA GLN 89 -9.616 3.393 8.560 617 HB2 GLN 89 1HB GLN 89 -11.860 4.062 6.694 618 HB3 GLN 89 2HB GLN 89 -11.068 2.497 6.571 619 HG2 GLN 89 1HG GLN 89 -12.005 3.408 9.240 620 HG3 GLN 89 2HG GLN 89 -13.196 2.847 8.067 621 HE21 GLN 89 1HE2 GLN 89 -13.695 0.800 8.291 622 HE22 GLN 89 2HE2 GLN 89 -12.643 -0.459 8.831 623 H LEU 90 H LEU 90 -7.832 2.607 7.668 624 HA LEU 90 HA LEU 90 -6.867 3.789 5.169 625 HB2 LEU 90 1HB LEU 90 -5.146 3.941 6.669 626 HB3 LEU 90 2HB LEU 90 -5.593 2.451 7.497 627 HG LEU 90 HG LEU 90 -4.495 2.283 4.730 628 HD11 LEU 90 1HD1 LEU 90 -3.120 3.796 6.464 629 HD12 LEU 90 2HD1 LEU 90 -2.354 2.748 5.271 630 HD13 LEU 90 3HD1 LEU 90 -2.538 2.199 6.937 631 HD21 LEU 90 1HD2 LEU 90 -5.121 0.202 5.518 632 HD22 LEU 90 2HD2 LEU 90 -4.636 0.567 7.174 633 HD23 LEU 90 3HD2 LEU 90 -3.410 0.260 5.943 634 H HIS 91 H HIS 91 -6.492 2.621 3.346 635 HA HIS 91 HA HIS 91 -6.952 -0.277 3.440 636 HB2 HIS 91 1HB HIS 91 -8.993 1.094 2.666 637 HB3 HIS 91 2HB HIS 91 -8.060 1.409 1.206 638 HD1 HIS 91 1HD HIS 91 -8.051 -0.380 -0.553 639 HD2 HIS 91 2HD HIS 91 -9.609 -1.705 3.064 640 HE1 HIS 91 1HE HIS 91 -8.993 -2.664 -1.023 641 HE2 HIS 91 2HE HIS 91 -10.005 -3.410 1.159 642 H LEU 92 H LEU 92 -4.971 -1.010 2.950 643 HA LEU 92 HA LEU 92 -3.660 0.093 0.551 644 HB2 LEU 92 1HB LEU 92 -2.337 -1.233 2.912 645 HB3 LEU 92 2HB LEU 92 -1.527 -0.525 1.516 646 HG LEU 92 HG LEU 92 -3.119 1.006 3.573 647 HD11 LEU 92 1HD1 LEU 92 -0.199 0.445 3.252 648 HD12 LEU 92 2HD1 LEU 92 -1.197 0.384 4.704 649 HD13 LEU 92 3HD1 LEU 92 -0.750 1.941 4.006 650 HD21 LEU 92 1HD2 LEU 92 -3.103 2.696 2.138 651 HD22 LEU 92 2HD2 LEU 92 -2.334 1.668 0.929 652 HD23 LEU 92 3HD2 LEU 92 -1.344 2.611 2.044 653 H VAL 93 H VAL 93 -3.001 -1.292 -1.018 654 HA VAL 93 HA VAL 93 -3.863 -4.077 -0.740 655 HB VAL 93 HB VAL 93 -2.932 -2.769 -3.287 656 HG11 VAL 93 1HG1 VAL 93 -4.042 -5.345 -2.524 657 HG12 VAL 93 2HG1 VAL 93 -4.945 -4.576 -3.831 658 HG13 VAL 93 3HG1 VAL 93 -3.213 -4.863 -4.004 659 HG21 VAL 93 1HG2 VAL 93 -5.627 -2.639 -1.968 660 HG22 VAL 93 2HG2 VAL 93 -4.655 -1.321 -2.623 661 HG23 VAL 93 3HG2 VAL 93 -5.433 -2.468 -3.713 662 H ILE 94 H ILE 94 -2.345 -5.428 -0.037 663 HA ILE 94 HA ILE 94 0.399 -5.105 -1.065 664 HB ILE 94 HB ILE 94 -0.373 -6.430 1.533 665 HG12 ILE 94 1HG1 ILE 94 -0.762 -3.870 1.295 666 HG13 ILE 94 2HG1 ILE 94 0.119 -4.469 2.696 667 HG21 ILE 94 1HG2 ILE 94 2.314 -5.528 0.508 668 HG22 ILE 94 2HG2 ILE 94 1.991 -6.372 2.021 669 HG23 ILE 94 3HG2 ILE 94 1.727 -7.191 0.482 670 HD11 ILE 94 1HD1 ILE 94 1.157 -2.482 1.739 671 HD12 ILE 94 2HD1 ILE 94 2.224 -3.883 1.642 672 HD13 ILE 94 3HD1 ILE 94 1.364 -3.328 0.206 673 H ARG 95 H ARG 95 1.560 -6.977 -1.623 674 HA ARG 95 HA ARG 95 0.033 -9.477 -1.763 675 HB2 ARG 95 1HB ARG 95 -0.263 -8.460 -3.935 676 HB3 ARG 95 2HB ARG 95 1.463 -8.154 -4.071 677 HG2 ARG 95 1HG ARG 95 1.935 -10.485 -4.268 678 HG3 ARG 95 2HG ARG 95 0.263 -10.905 -3.892 679 HD2 ARG 95 1HD ARG 95 -0.314 -9.477 -5.967 680 HD3 ARG 95 2HD ARG 95 1.389 -9.670 -6.378 681 HE ARG 95 HE ARG 95 -0.670 -11.670 -6.530 682 HH11 ARG 95 2HH1 ARG 95 2.750 -11.097 -6.226 683 HH12 ARG 95 1HH1 ARG 95 3.199 -12.641 -6.871 684 HH21 ARG 95 2HH2 ARG 95 -0.092 -13.707 -7.380 685 HH22 ARG 95 1HH2 ARG 95 1.581 -14.124 -7.528 686 H ARG 96 H ARG 96 1.175 -11.071 -0.903 687 HA ARG 96 HA ARG 96 3.886 -10.786 -0.147 688 HB2 ARG 96 1HB ARG 96 2.278 -12.222 1.057 689 HB3 ARG 96 2HB ARG 96 2.221 -13.303 -0.328 690 HG2 ARG 96 1HG ARG 96 4.707 -13.621 -0.024 691 HG3 ARG 96 2HG ARG 96 4.529 -12.783 1.519 692 HD2 ARG 96 1HD ARG 96 2.620 -14.538 1.897 693 HD3 ARG 96 2HD ARG 96 3.499 -15.452 0.672 694 HE ARG 96 HE ARG 96 5.321 -14.591 2.614 695 HH11 ARG 96 2HH1 ARG 96 2.628 -16.772 2.277 696 HH12 ARG 96 1HH1 ARG 96 3.195 -17.868 3.493 697 HH21 ARG 96 2HH2 ARG 96 6.078 -16.026 4.218 698 HH22 ARG 96 1HH2 ARG 96 5.157 -17.442 4.597 699 HA PRO 97 HA PRO 97 5.665 -11.827 -4.103 700 HB2 PRO 97 1HB PRO 97 8.249 -11.632 -3.293 701 HB3 PRO 97 2HB PRO 97 7.243 -10.221 -3.643 702 HG2 PRO 97 1HG PRO 97 7.921 -11.456 -1.002 703 HG3 PRO 97 2HG PRO 97 7.865 -9.743 -1.454 704 HD2 PRO 97 1HD PRO 97 5.859 -10.958 -0.102 705 HD3 PRO 97 2HD PRO 97 5.572 -9.633 -1.248 706 H LEU 98 H LEU 98 7.542 -13.348 -4.759 707 HA LEU 98 HA LEU 98 6.880 -15.961 -3.951 708 HB2 LEU 98 1HB LEU 98 7.768 -15.508 -6.147 709 HB3 LEU 98 2HB LEU 98 9.275 -14.914 -5.452 710 HG LEU 98 HG LEU 98 9.582 -17.279 -4.535 711 HD11 LEU 98 1HD1 LEU 98 7.237 -17.976 -4.927 712 HD12 LEU 98 2HD1 LEU 98 8.421 -19.056 -5.663 713 HD13 LEU 98 3HD1 LEU 98 7.540 -17.901 -6.663 714 HD21 LEU 98 1HD2 LEU 98 10.587 -18.041 -6.594 715 HD22 LEU 98 2HD2 LEU 98 10.851 -16.306 -6.417 716 HD23 LEU 98 3HD2 LEU 98 9.617 -16.903 -7.528 717 H SER 99 H SER 99 9.576 -13.838 -3.100 718 HA SER 99 HA SER 99 10.526 -15.840 -1.176 719 HB2 SER 99 1HB SER 99 12.595 -14.558 -1.088 720 HB3 SER 99 2HB SER 99 12.184 -14.897 -2.769 721 HG SER 99 HG SER 99 11.576 -12.475 -1.419 722 H GLY 100 H GLY 100 10.112 -15.611 0.920 723 HA2 GLY 100 1HA GLY 100 8.667 -13.317 1.873 724 HA3 GLY 100 2HA GLY 100 9.148 -14.716 2.821 725 HA PRO 101 HA PRO 101 12.101 -12.163 4.837 726 HB2 PRO 101 1HB PRO 101 13.785 -14.083 5.758 727 HB3 PRO 101 2HB PRO 101 12.186 -13.792 6.454 728 HG2 PRO 101 1HG PRO 101 13.045 -15.882 4.490 729 HG3 PRO 101 2HG PRO 101 11.985 -16.043 5.903 730 HD2 PRO 101 1HD PRO 101 11.027 -15.840 3.378 731 HD3 PRO 101 2HD PRO 101 10.157 -15.195 4.784 732 H SER 102 H SER 102 13.475 -10.933 3.718 733 HA SER 102 HA SER 102 15.945 -12.007 2.743 734 HB2 SER 102 1HB SER 102 14.581 -12.576 0.820 735 HB3 SER 102 2HB SER 102 13.932 -10.938 0.751 736 HG SER 102 HG SER 102 15.596 -11.164 -0.751 737 H SER 103 H SER 103 17.365 -10.548 3.397 738 HA SER 103 HA SER 103 16.877 -8.037 4.358 739 HB2 SER 103 1HB SER 103 19.033 -9.245 4.590 740 HB3 SER 103 2HB SER 103 19.395 -8.883 2.903 741 HG SER 103 HG SER 103 19.271 -6.648 3.469 742 H GLY 104 H GLY 104 17.827 -8.869 1.032 743 HA2 GLY 104 1HA GLY 104 16.239 -7.097 -0.312 744 HA3 GLY 104 2HA GLY 104 17.650 -6.147 0.130 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -14.098 -5.521 -3.393 2 HA2 GLY 1 1HA GLY 1 -15.264 -7.523 -2.193 3 HA3 GLY 1 2HA GLY 1 -13.684 -7.796 -2.914 4 H SER 2 H SER 2 -15.487 -8.028 -0.117 5 HA SER 2 HA SER 2 -13.138 -7.924 1.636 6 HB2 SER 2 1HB SER 2 -16.098 -8.037 2.246 7 HB3 SER 2 2HB SER 2 -14.842 -8.126 3.480 8 HG SER 2 HG SER 2 -15.540 -5.973 1.805 9 H SER 3 H SER 3 -15.985 -10.024 1.159 10 HA SER 3 HA SER 3 -14.340 -12.383 1.118 11 HB2 SER 3 1HB SER 3 -14.471 -12.015 3.535 12 HB3 SER 3 2HB SER 3 -16.230 -11.934 3.442 13 HG SER 3 HG SER 3 -16.167 -14.011 3.700 14 H GLY 4 H GLY 4 -15.218 -13.452 -0.522 15 HA2 GLY 4 1HA GLY 4 -18.153 -13.748 -0.571 16 HA3 GLY 4 2HA GLY 4 -17.268 -13.339 -2.033 17 H SER 5 H SER 5 -18.634 -15.411 -2.508 18 HA SER 5 HA SER 5 -17.726 -17.908 -1.566 19 HB2 SER 5 1HB SER 5 -18.994 -18.873 -3.393 20 HB3 SER 5 2HB SER 5 -19.910 -17.527 -2.715 21 HG SER 5 HG SER 5 -19.248 -17.859 -5.212 22 H SER 6 H SER 6 -16.069 -19.179 -2.138 23 HA SER 6 HA SER 6 -13.808 -18.279 -3.375 24 HB2 SER 6 1HB SER 6 -14.791 -21.143 -3.413 25 HB3 SER 6 2HB SER 6 -13.120 -20.614 -3.610 26 HG SER 6 HG SER 6 -13.264 -21.099 -1.498 27 H GLY 7 H GLY 7 -13.590 -17.437 -5.340 28 HA2 GLY 7 1HA GLY 7 -15.121 -18.620 -7.561 29 HA3 GLY 7 2HA GLY 7 -14.473 -16.986 -7.534 30 H GLN 8 H GLN 8 -12.308 -16.632 -8.032 31 HA GLN 8 HA GLN 8 -10.940 -18.947 -9.237 32 HB2 GLN 8 1HB GLN 8 -11.774 -16.866 -10.641 33 HB3 GLN 8 2HB GLN 8 -10.283 -16.149 -10.044 34 HG2 GLN 8 1HG GLN 8 -8.948 -17.708 -11.149 35 HG3 GLN 8 2HG GLN 8 -10.292 -18.824 -11.386 36 HE21 GLN 8 1HE2 GLN 8 -10.555 -18.998 -13.500 37 HE22 GLN 8 2HE2 GLN 8 -10.699 -17.683 -14.611 38 H ALA 9 H ALA 9 -8.591 -18.911 -9.189 39 HA ALA 9 HA ALA 9 -7.475 -18.695 -6.715 40 HB1 ALA 9 1HB ALA 9 -5.834 -18.088 -9.150 41 HB2 ALA 9 2HB ALA 9 -5.382 -18.990 -7.702 42 HB3 ALA 9 3HB ALA 9 -6.501 -19.696 -8.867 43 H SER 10 H SER 10 -7.518 -16.979 -5.412 44 HA SER 10 HA SER 10 -6.792 -14.353 -6.535 45 HB2 SER 10 1HB SER 10 -8.610 -15.092 -4.243 46 HB3 SER 10 2HB SER 10 -7.994 -13.454 -4.466 47 HG SER 10 HG SER 10 -10.128 -14.140 -5.465 48 H GLY 11 H GLY 11 -5.755 -12.863 -4.902 49 HA2 GLY 11 1HA GLY 11 -4.235 -14.176 -2.803 50 HA3 GLY 11 2HA GLY 11 -3.286 -13.582 -4.158 51 H HIS 12 H HIS 12 -3.711 -11.234 -4.735 52 HA HIS 12 HA HIS 12 -2.858 -9.501 -2.893 53 HB2 HIS 12 1HB HIS 12 -5.115 -8.564 -4.630 54 HB3 HIS 12 2HB HIS 12 -3.608 -7.746 -4.228 55 HD1 HIS 12 1HD HIS 12 -4.924 -10.535 -6.411 56 HD2 HIS 12 2HD HIS 12 -1.567 -8.118 -6.023 57 HE1 HIS 12 1HE HIS 12 -3.530 -10.987 -8.455 58 HE2 HIS 12 2HE HIS 12 -1.464 -9.577 -8.156 59 H PHE 13 H PHE 13 -3.545 -8.460 -1.108 60 HA PHE 13 HA PHE 13 -6.389 -8.632 -0.395 61 HB2 PHE 13 1HB PHE 13 -5.808 -9.200 1.915 62 HB3 PHE 13 2HB PHE 13 -5.206 -10.424 0.802 63 HD1 PHE 13 2HD PHE 13 -4.203 -7.484 2.813 64 HD2 PHE 13 1HD PHE 13 -2.929 -10.962 0.716 65 HE1 PHE 13 2HE PHE 13 -1.945 -7.220 3.754 66 HE2 PHE 13 1HE PHE 13 -0.668 -10.703 1.654 67 HZ PHE 13 HZ PHE 13 -0.174 -8.830 3.174 68 H SER 14 H SER 14 -6.897 -7.166 1.503 69 HA SER 14 HA SER 14 -5.386 -4.657 1.191 70 HB2 SER 14 1HB SER 14 -8.269 -4.957 2.056 71 HB3 SER 14 2HB SER 14 -7.429 -3.458 1.661 72 HG SER 14 HG SER 14 -7.210 -4.266 -0.486 73 H VAL 15 H VAL 15 -5.575 -3.178 3.134 74 HA VAL 15 HA VAL 15 -5.451 -4.734 5.633 75 HB VAL 15 HB VAL 15 -3.623 -2.468 4.826 76 HG11 VAL 15 1HG1 VAL 15 -4.455 -3.170 7.378 77 HG12 VAL 15 2HG1 VAL 15 -2.880 -3.945 7.201 78 HG13 VAL 15 3HG1 VAL 15 -3.041 -2.205 6.958 79 HG21 VAL 15 1HG2 VAL 15 -3.114 -4.620 3.744 80 HG22 VAL 15 2HG2 VAL 15 -1.854 -4.128 4.876 81 HG23 VAL 15 3HG2 VAL 15 -3.010 -5.378 5.333 82 H GLU 16 H GLU 16 -6.834 -4.049 7.120 83 HA GLU 16 HA GLU 16 -7.944 -1.341 6.869 84 HB2 GLU 16 1HB GLU 16 -9.013 -3.742 8.363 85 HB3 GLU 16 2HB GLU 16 -9.800 -2.173 8.260 86 HG2 GLU 16 1HG GLU 16 -9.639 -2.590 5.688 87 HG3 GLU 16 2HG GLU 16 -9.485 -4.276 6.177 88 H LEU 17 H LEU 17 -7.223 0.153 8.221 89 HA LEU 17 HA LEU 17 -6.564 -0.601 10.974 90 HB2 LEU 17 1HB LEU 17 -4.806 1.164 9.279 91 HB3 LEU 17 2HB LEU 17 -4.523 0.683 10.951 92 HG LEU 17 HG LEU 17 -4.531 -1.209 8.600 93 HD11 LEU 17 1HD1 LEU 17 -2.015 -0.747 9.994 94 HD12 LEU 17 2HD1 LEU 17 -2.621 0.680 9.154 95 HD13 LEU 17 3HD1 LEU 17 -2.360 -0.821 8.265 96 HD21 LEU 17 1HD2 LEU 17 -3.966 -2.890 10.055 97 HD22 LEU 17 2HD2 LEU 17 -5.065 -1.944 11.059 98 HD23 LEU 17 3HD2 LEU 17 -3.321 -1.779 11.263 99 H VAL 18 H VAL 18 -6.890 1.011 12.502 100 HA VAL 18 HA VAL 18 -8.444 3.311 11.536 101 HB VAL 18 HB VAL 18 -8.343 2.070 14.289 102 HG11 VAL 18 1HG1 VAL 18 -8.890 4.672 13.752 103 HG12 VAL 18 2HG1 VAL 18 -10.496 3.952 13.622 104 HG13 VAL 18 3HG1 VAL 18 -9.564 3.769 15.109 105 HG21 VAL 18 1HG2 VAL 18 -9.502 0.680 12.654 106 HG22 VAL 18 2HG2 VAL 18 -10.641 1.369 13.810 107 HG23 VAL 18 3HG2 VAL 18 -10.510 2.050 12.189 108 H ARG 19 H ARG 19 -7.394 5.175 11.435 109 HA ARG 19 HA ARG 19 -4.909 5.853 12.114 110 HB2 ARG 19 1HB ARG 19 -6.343 7.440 11.010 111 HB3 ARG 19 2HB ARG 19 -7.362 7.584 12.436 112 HG2 ARG 19 1HG ARG 19 -5.774 8.829 13.596 113 HG3 ARG 19 2HG ARG 19 -4.462 8.319 12.532 114 HD2 ARG 19 1HD ARG 19 -5.436 9.613 10.704 115 HD3 ARG 19 2HD ARG 19 -6.765 10.104 11.753 116 HE ARG 19 HE ARG 19 -4.221 10.793 12.846 117 HH11 ARG 19 2HH1 ARG 19 -6.642 11.762 10.540 118 HH12 ARG 19 1HH1 ARG 19 -6.207 13.439 10.592 119 HH21 ARG 19 2HH2 ARG 19 -3.640 12.997 12.924 120 HH22 ARG 19 1HH2 ARG 19 -4.499 14.140 11.948 121 H GLY 20 H GLY 20 -3.887 5.201 13.921 122 HA2 GLY 20 1HA GLY 20 -5.040 5.019 16.482 123 HA3 GLY 20 2HA GLY 20 -3.317 5.036 16.138 124 H TYR 21 H TYR 21 -2.412 6.480 17.448 125 HA TYR 21 HA TYR 21 -3.797 8.807 18.374 126 HB2 TYR 21 1HB TYR 21 -1.945 7.430 19.566 127 HB3 TYR 21 2HB TYR 21 -0.829 8.410 18.621 128 HD1 TYR 21 2HD TYR 21 -1.843 11.058 18.662 129 HD2 TYR 21 1HD TYR 21 -1.999 8.142 21.755 130 HE1 TYR 21 2HE TYR 21 -1.993 12.852 20.337 131 HE2 TYR 21 1HE TYR 21 -2.151 9.928 23.440 132 HH TYR 21 HH TYR 21 -1.549 12.322 23.644 133 H ALA 22 H ALA 22 -4.310 9.870 16.396 134 HA ALA 22 HA ALA 22 -4.011 11.383 14.721 135 HB1 ALA 22 1HB ALA 22 -2.203 13.071 15.104 136 HB2 ALA 22 2HB ALA 22 -3.306 12.848 16.463 137 HB3 ALA 22 3HB ALA 22 -1.699 12.122 16.503 138 H GLY 23 H GLY 23 -3.091 8.855 14.082 139 HA2 GLY 23 1HA GLY 23 -1.761 9.082 11.761 140 HA3 GLY 23 2HA GLY 23 -0.441 9.091 12.922 141 H PHE 24 H PHE 24 -0.632 7.133 10.985 142 HA PHE 24 HA PHE 24 -1.705 4.772 12.340 143 HB2 PHE 24 1HB PHE 24 -0.712 5.248 9.532 144 HB3 PHE 24 2HB PHE 24 -1.073 3.639 10.146 145 HD1 PHE 24 1HD PHE 24 -3.395 3.077 10.827 146 HD2 PHE 24 2HD PHE 24 -2.426 6.722 8.853 147 HE1 PHE 24 1HE PHE 24 -5.764 3.385 10.240 148 HE2 PHE 24 2HE PHE 24 -4.794 7.035 8.263 149 HZ PHE 24 HZ PHE 24 -6.467 5.366 8.957 150 H GLY 25 H GLY 25 1.312 6.203 11.257 151 HA2 GLY 25 1HA GLY 25 3.428 5.812 12.163 152 HA3 GLY 25 2HA GLY 25 2.777 4.425 13.023 153 H LEU 26 H LEU 26 2.267 4.830 9.601 154 HA LEU 26 HA LEU 26 4.053 2.539 9.127 155 HB2 LEU 26 1HB LEU 26 1.629 2.208 8.679 156 HB3 LEU 26 2HB LEU 26 1.727 3.468 7.450 157 HG LEU 26 HG LEU 26 3.414 2.023 6.261 158 HD11 LEU 26 1HD1 LEU 26 3.845 0.652 8.375 159 HD12 LEU 26 2HD1 LEU 26 3.718 -0.219 6.847 160 HD13 LEU 26 3HD1 LEU 26 2.358 -0.205 7.969 161 HD21 LEU 26 1HD2 LEU 26 1.416 1.949 5.177 162 HD22 LEU 26 2HD2 LEU 26 0.529 1.428 6.609 163 HD23 LEU 26 3HD2 LEU 26 1.501 0.268 5.704 164 H THR 27 H THR 27 5.791 2.824 7.897 165 HA THR 27 HA THR 27 5.895 5.191 6.143 166 HB THR 27 HB THR 27 8.285 4.014 7.562 167 HG1 THR 27 1HG THR 27 6.509 6.090 8.323 168 HG21 THR 27 1HG2 THR 27 9.002 6.506 7.036 169 HG22 THR 27 2HG2 THR 27 7.798 6.334 5.759 170 HG23 THR 27 3HG2 THR 27 9.171 5.229 5.832 171 H LEU 28 H LEU 28 6.977 4.976 4.174 172 HA LEU 28 HA LEU 28 7.442 2.192 3.339 173 HB2 LEU 28 1HB LEU 28 6.273 4.561 1.992 174 HB3 LEU 28 2HB LEU 28 7.211 3.445 1.001 175 HG LEU 28 HG LEU 28 4.972 2.443 2.723 176 HD11 LEU 28 1HD1 LEU 28 4.677 3.494 -0.086 177 HD12 LEU 28 2HD1 LEU 28 4.086 4.302 1.366 178 HD13 LEU 28 3HD1 LEU 28 3.424 2.736 0.897 179 HD21 LEU 28 1HD2 LEU 28 6.494 0.817 1.733 180 HD22 LEU 28 2HD2 LEU 28 6.196 1.496 0.133 181 HD23 LEU 28 3HD2 LEU 28 4.889 0.699 1.010 182 H GLY 29 H GLY 29 9.203 1.732 1.938 183 HA2 GLY 29 1HA GLY 29 11.291 3.818 1.870 184 HA3 GLY 29 2HA GLY 29 11.662 2.182 2.393 185 H GLY 30 H GLY 30 11.156 4.280 -0.292 186 HA2 GLY 30 1HA GLY 30 12.584 3.314 -2.220 187 HA3 GLY 30 2HA GLY 30 11.385 2.030 -2.173 188 H GLY 31 H GLY 31 10.604 2.394 -4.237 189 HA2 GLY 31 1HA GLY 31 8.768 3.266 -5.446 190 HA3 GLY 31 2HA GLY 31 8.833 4.714 -4.453 191 H ARG 32 H ARG 32 8.582 5.712 -6.634 192 HA ARG 32 HA ARG 32 10.853 5.645 -8.400 193 HB2 ARG 32 1HB ARG 32 8.495 5.983 -9.174 194 HB3 ARG 32 2HB ARG 32 8.521 7.566 -8.409 195 HG2 ARG 32 1HG ARG 32 10.210 8.342 -9.902 196 HG3 ARG 32 2HG ARG 32 10.447 6.722 -10.558 197 HD2 ARG 32 1HD ARG 32 7.820 8.176 -10.723 198 HD3 ARG 32 2HD ARG 32 9.069 8.328 -11.958 199 HE ARG 32 HE ARG 32 8.727 5.647 -11.718 200 HH11 ARG 32 2HH1 ARG 32 6.572 8.319 -12.295 201 HH12 ARG 32 1HH1 ARG 32 5.456 7.385 -13.236 202 HH21 ARG 32 2HH2 ARG 32 7.265 4.406 -12.954 203 HH22 ARG 32 1HH2 ARG 32 5.851 5.160 -13.609 204 H ASP 33 H ASP 33 12.663 6.739 -8.082 205 HA ASP 33 HA ASP 33 12.549 9.229 -6.509 206 HB2 ASP 33 1HB ASP 33 14.989 7.489 -6.864 207 HB3 ASP 33 2HB ASP 33 14.746 8.788 -5.699 208 H VAL 34 H VAL 34 14.158 10.876 -7.080 209 HA VAL 34 HA VAL 34 14.028 11.662 -9.723 210 HB VAL 34 HB VAL 34 14.600 13.257 -8.018 211 HG11 VAL 34 1HG1 VAL 34 16.052 11.421 -6.815 212 HG12 VAL 34 2HG1 VAL 34 17.364 12.195 -7.707 213 HG13 VAL 34 3HG1 VAL 34 16.382 13.138 -6.585 214 HG21 VAL 34 1HG2 VAL 34 16.710 12.839 -10.115 215 HG22 VAL 34 2HG2 VAL 34 15.353 13.966 -10.129 216 HG23 VAL 34 3HG2 VAL 34 16.717 14.241 -9.045 217 H ALA 35 H ALA 35 16.622 9.894 -8.078 218 HA ALA 35 HA ALA 35 17.668 9.138 -10.724 219 HB1 ALA 35 1HB ALA 35 18.997 10.867 -9.165 220 HB2 ALA 35 2HB ALA 35 19.626 9.348 -8.524 221 HB3 ALA 35 3HB ALA 35 19.798 9.720 -10.240 222 H GLY 36 H GLY 36 15.852 7.769 -8.843 223 HA2 GLY 36 1HA GLY 36 17.332 5.256 -8.718 224 HA3 GLY 36 2HA GLY 36 16.691 5.868 -7.200 225 H ASP 37 H ASP 37 16.067 3.431 -8.814 226 HA ASP 37 HA ASP 37 13.156 3.835 -8.911 227 HB2 ASP 37 1HB ASP 37 14.945 2.660 -10.993 228 HB3 ASP 37 2HB ASP 37 13.339 1.966 -10.781 229 H THR 38 H THR 38 12.372 2.695 -7.269 230 HA THR 38 HA THR 38 13.062 -0.129 -7.057 231 HB THR 38 HB THR 38 13.392 -0.020 -4.625 232 HG1 THR 38 1HG THR 38 13.727 2.767 -4.753 233 HG21 THR 38 1HG2 THR 38 15.334 0.095 -6.174 234 HG22 THR 38 2HG2 THR 38 15.627 0.896 -4.630 235 HG23 THR 38 3HG2 THR 38 15.270 1.853 -6.068 236 HA PRO 39 HA PRO 39 8.745 -0.517 -6.308 237 HB2 PRO 39 1HB PRO 39 8.715 -2.914 -5.034 238 HB3 PRO 39 2HB PRO 39 9.011 -2.752 -6.769 239 HG2 PRO 39 1HG PRO 39 10.975 -3.112 -4.538 240 HG3 PRO 39 2HG PRO 39 10.939 -3.886 -6.133 241 HD2 PRO 39 1HD PRO 39 12.566 -1.798 -5.564 242 HD3 PRO 39 2HD PRO 39 11.879 -2.061 -7.180 243 H LEU 40 H LEU 40 7.515 0.453 -4.830 244 HA LEU 40 HA LEU 40 8.402 1.236 -2.302 245 HB2 LEU 40 1HB LEU 40 5.744 1.108 -3.643 246 HB3 LEU 40 2HB LEU 40 5.809 1.446 -1.915 247 HG LEU 40 HG LEU 40 7.336 3.082 -3.923 248 HD11 LEU 40 1HD1 LEU 40 5.547 4.597 -4.107 249 HD12 LEU 40 2HD1 LEU 40 4.633 3.802 -2.826 250 HD13 LEU 40 3HD1 LEU 40 4.842 3.004 -4.385 251 HD21 LEU 40 1HD2 LEU 40 7.855 4.432 -2.199 252 HD22 LEU 40 2HD2 LEU 40 7.535 2.994 -1.230 253 HD23 LEU 40 3HD2 LEU 40 6.284 4.223 -1.423 254 H ALA 41 H ALA 41 8.609 0.180 -0.447 255 HA ALA 41 HA ALA 41 6.817 -2.027 0.194 256 HB1 ALA 41 1HB ALA 41 9.248 -2.611 -0.916 257 HB2 ALA 41 2HB ALA 41 9.590 -2.703 0.813 258 HB3 ALA 41 3HB ALA 41 8.308 -3.692 0.114 259 H VAL 42 H VAL 42 6.474 -2.297 2.365 260 HA VAL 42 HA VAL 42 6.652 -0.253 4.124 261 HB VAL 42 HB VAL 42 6.915 -3.173 4.856 262 HG11 VAL 42 1HG1 VAL 42 5.496 -1.595 6.773 263 HG12 VAL 42 2HG1 VAL 42 6.956 -2.563 6.990 264 HG13 VAL 42 3HG1 VAL 42 7.080 -0.878 6.481 265 HG21 VAL 42 1HG2 VAL 42 4.545 -1.403 4.326 266 HG22 VAL 42 2HG2 VAL 42 4.944 -2.954 3.588 267 HG23 VAL 42 3HG2 VAL 42 4.417 -2.888 5.270 268 H ARG 43 H ARG 43 8.163 0.753 5.296 269 HA ARG 43 HA ARG 43 10.886 -0.351 5.251 270 HB2 ARG 43 1HB ARG 43 10.287 1.993 4.317 271 HB3 ARG 43 2HB ARG 43 10.200 2.474 6.007 272 HG2 ARG 43 1HG ARG 43 12.629 1.035 5.090 273 HG3 ARG 43 2HG ARG 43 12.416 2.717 4.600 274 HD2 ARG 43 1HD ARG 43 12.244 3.418 6.894 275 HD3 ARG 43 2HD ARG 43 12.259 1.744 7.448 276 HE ARG 43 HE ARG 43 14.595 1.896 6.169 277 HH11 ARG 43 2HH1 ARG 43 13.104 4.040 8.470 278 HH12 ARG 43 1HH1 ARG 43 14.609 4.602 9.119 279 HH21 ARG 43 2HH2 ARG 43 16.583 2.627 7.014 280 HH22 ARG 43 1HH2 ARG 43 16.587 3.798 8.289 281 H GLY 44 H GLY 44 9.065 1.798 7.446 282 HA2 GLY 44 1HA GLY 44 10.160 0.220 9.694 283 HA3 GLY 44 2HA GLY 44 9.899 1.957 9.763 284 H LEU 45 H LEU 45 8.860 -0.070 11.548 285 HA LEU 45 HA LEU 45 5.980 0.354 11.093 286 HB2 LEU 45 1HB LEU 45 7.470 -2.065 11.993 287 HB3 LEU 45 2HB LEU 45 5.849 -1.781 12.622 288 HG LEU 45 HG LEU 45 6.472 -1.926 9.679 289 HD11 LEU 45 1HD1 LEU 45 5.101 -4.221 10.374 290 HD12 LEU 45 2HD1 LEU 45 6.311 -4.050 11.646 291 HD13 LEU 45 3HD1 LEU 45 6.810 -4.107 9.955 292 HD21 LEU 45 1HD2 LEU 45 3.827 -2.679 10.617 293 HD22 LEU 45 2HD2 LEU 45 4.299 -1.547 9.349 294 HD23 LEU 45 3HD2 LEU 45 4.246 -1.016 11.031 295 H LEU 46 H LEU 46 5.462 1.971 12.434 296 HA LEU 46 HA LEU 46 6.682 2.838 14.706 297 HB2 LEU 46 1HB LEU 46 4.613 3.740 13.443 298 HB3 LEU 46 2HB LEU 46 3.691 2.754 14.576 299 HG LEU 46 HG LEU 46 4.849 4.035 16.429 300 HD11 LEU 46 1HD1 LEU 46 5.509 5.941 14.192 301 HD12 LEU 46 2HD1 LEU 46 6.683 4.895 14.988 302 HD13 LEU 46 3HD1 LEU 46 5.851 6.147 15.910 303 HD21 LEU 46 1HD2 LEU 46 3.346 6.059 14.923 304 HD22 LEU 46 2HD2 LEU 46 3.058 5.388 16.529 305 HD23 LEU 46 3HD2 LEU 46 2.535 4.502 15.095 306 H LYS 47 H LYS 47 7.344 1.649 16.371 307 HA LYS 47 HA LYS 47 6.536 -0.788 17.236 308 HB2 LYS 47 1HB LYS 47 8.403 0.793 18.123 309 HB3 LYS 47 2HB LYS 47 7.184 1.317 19.277 310 HG2 LYS 47 1HG LYS 47 7.656 -1.598 18.977 311 HG3 LYS 47 2HG LYS 47 8.872 -0.635 19.819 312 HD2 LYS 47 1HD LYS 47 7.372 0.009 21.492 313 HD3 LYS 47 2HD LYS 47 5.962 -0.423 20.522 314 HE2 LYS 47 1HE LYS 47 6.047 -2.178 22.009 315 HE3 LYS 47 2HE LYS 47 6.967 -2.828 20.653 316 HZ1 LYS 47 1HZ LYS 47 8.951 -2.585 21.769 317 HZ2 LYS 47 2HZ LYS 47 7.911 -3.026 23.028 318 HZ3 LYS 47 3HZ LYS 47 8.355 -1.406 22.826 319 H ASP 48 H ASP 48 5.080 -1.624 18.743 320 HA ASP 48 HA ASP 48 2.911 -1.858 19.472 321 HB2 ASP 48 1HB ASP 48 2.466 -0.569 21.437 322 HB3 ASP 48 2HB ASP 48 4.206 -0.841 21.380 323 H GLY 49 H GLY 49 3.024 -0.543 16.952 324 HA2 GLY 49 1HA GLY 49 0.961 1.540 17.173 325 HA3 GLY 49 2HA GLY 49 1.966 1.239 15.763 326 HA PRO 50 HA PRO 50 -2.285 -0.700 15.251 327 HB2 PRO 50 1HB PRO 50 -2.994 0.715 13.045 328 HB3 PRO 50 2HB PRO 50 -3.325 1.271 14.690 329 HG2 PRO 50 1HG PRO 50 -1.114 2.060 12.832 330 HG3 PRO 50 2HG PRO 50 -2.108 3.082 13.886 331 HD2 PRO 50 1HD PRO 50 0.403 2.314 14.549 332 HD3 PRO 50 2HD PRO 50 -0.868 2.572 15.761 333 H ALA 51 H ALA 51 0.081 0.315 12.798 334 HA ALA 51 HA ALA 51 -0.588 -1.768 10.967 335 HB1 ALA 51 1HB ALA 51 1.251 0.475 11.062 336 HB2 ALA 51 2HB ALA 51 1.967 -0.951 10.310 337 HB3 ALA 51 3HB ALA 51 0.462 -0.284 9.679 338 H GLN 52 H GLN 52 1.719 -1.411 13.577 339 HA GLN 52 HA GLN 52 3.175 -3.804 12.906 340 HB2 GLN 52 1HB GLN 52 4.348 -2.003 14.018 341 HB3 GLN 52 2HB GLN 52 3.214 -2.043 15.361 342 HG2 GLN 52 1HG GLN 52 5.282 -3.103 15.990 343 HG3 GLN 52 2HG GLN 52 3.986 -4.296 15.933 344 HE21 GLN 52 1HE2 GLN 52 6.863 -3.110 14.361 345 HE22 GLN 52 2HE2 GLN 52 7.150 -4.512 13.392 346 H ARG 53 H ARG 53 0.800 -2.853 15.364 347 HA ARG 53 HA ARG 53 0.730 -5.244 16.799 348 HB2 ARG 53 1HB ARG 53 -1.236 -3.029 16.357 349 HB3 ARG 53 2HB ARG 53 -1.741 -4.478 17.216 350 HG2 ARG 53 1HG ARG 53 -0.308 -4.080 18.993 351 HG3 ARG 53 2HG ARG 53 0.724 -3.005 18.048 352 HD2 ARG 53 1HD ARG 53 -0.873 -1.263 18.112 353 HD3 ARG 53 2HD ARG 53 -2.134 -2.342 18.708 354 HE ARG 53 HE ARG 53 -0.202 -0.950 20.267 355 HH11 ARG 53 2HH1 ARG 53 -2.046 -3.898 20.096 356 HH12 ARG 53 1HH1 ARG 53 -2.030 -4.162 21.808 357 HH21 ARG 53 2HH2 ARG 53 -0.173 -1.286 22.523 358 HH22 ARG 53 1HH2 ARG 53 -0.965 -2.675 23.188 359 H CYS 54 H CYS 54 -1.351 -4.194 14.105 360 HA CYS 54 HA CYS 54 -2.926 -6.470 13.908 361 HB2 CYS 54 1HB CYS 54 -3.344 -5.786 11.579 362 HB3 CYS 54 2HB CYS 54 -3.423 -4.417 12.681 363 HG CYS 54 HG CYS 54 -0.508 -5.042 11.054 364 H GLY 55 H GLY 55 0.289 -5.830 12.623 365 HA2 GLY 55 1HA GLY 55 1.915 -7.396 12.062 366 HA3 GLY 55 2HA GLY 55 0.726 -8.671 12.283 367 H ARG 56 H ARG 56 -1.251 -7.706 10.513 368 HA ARG 56 HA ARG 56 -0.782 -8.936 8.184 369 HB2 ARG 56 1HB ARG 56 -2.310 -6.397 8.699 370 HB3 ARG 56 2HB ARG 56 -2.255 -7.115 7.094 371 HG2 ARG 56 1HG ARG 56 -3.295 -9.121 7.889 372 HG3 ARG 56 2HG ARG 56 -3.197 -8.561 9.559 373 HD2 ARG 56 1HD ARG 56 -4.719 -6.735 9.058 374 HD3 ARG 56 2HD ARG 56 -4.775 -7.224 7.364 375 HE ARG 56 HE ARG 56 -6.302 -8.310 9.490 376 HH11 ARG 56 2HH1 ARG 56 -4.652 -9.190 6.554 377 HH12 ARG 56 1HH1 ARG 56 -5.669 -10.556 6.238 378 HH21 ARG 56 2HH2 ARG 56 -7.648 -10.107 9.085 379 HH22 ARG 56 1HH2 ARG 56 -7.373 -11.076 7.677 380 H LEU 57 H LEU 57 0.467 -5.785 9.072 381 HA LEU 57 HA LEU 57 1.813 -5.578 6.468 382 HB2 LEU 57 1HB LEU 57 1.299 -3.521 8.608 383 HB3 LEU 57 2HB LEU 57 2.265 -3.225 7.163 384 HG LEU 57 HG LEU 57 -0.633 -4.040 7.062 385 HD11 LEU 57 1HD1 LEU 57 0.596 -1.296 7.179 386 HD12 LEU 57 2HD1 LEU 57 -0.636 -1.983 8.238 387 HD13 LEU 57 3HD1 LEU 57 -1.026 -1.607 6.560 388 HD21 LEU 57 1HD2 LEU 57 -0.276 -2.751 4.814 389 HD22 LEU 57 2HD2 LEU 57 0.222 -4.436 4.965 390 HD23 LEU 57 3HD2 LEU 57 1.420 -3.146 5.090 391 H GLU 58 H GLU 58 3.897 -6.064 6.342 392 HA GLU 58 HA GLU 58 5.591 -5.709 8.713 393 HB2 GLU 58 1HB GLU 58 5.425 -8.175 6.981 394 HB3 GLU 58 2HB GLU 58 6.759 -7.856 8.080 395 HG2 GLU 58 1HG GLU 58 5.193 -7.820 9.961 396 HG3 GLU 58 2HG GLU 58 3.867 -8.168 8.853 397 H VAL 59 H VAL 59 7.823 -5.389 8.270 398 HA VAL 59 HA VAL 59 8.394 -3.719 6.127 399 HB VAL 59 HB VAL 59 10.338 -5.390 7.727 400 HG11 VAL 59 1HG1 VAL 59 11.057 -2.805 6.431 401 HG12 VAL 59 2HG1 VAL 59 12.082 -4.176 6.859 402 HG13 VAL 59 3HG1 VAL 59 11.022 -4.271 5.452 403 HG21 VAL 59 1HG2 VAL 59 9.018 -3.979 9.166 404 HG22 VAL 59 2HG2 VAL 59 10.641 -3.303 9.030 405 HG23 VAL 59 3HG2 VAL 59 9.308 -2.584 8.127 406 H GLY 60 H GLY 60 8.897 -4.032 4.051 407 HA2 GLY 60 1HA GLY 60 10.143 -5.221 2.353 408 HA3 GLY 60 2HA GLY 60 9.807 -6.712 3.221 409 H ASP 61 H ASP 61 6.991 -5.983 3.663 410 HA ASP 61 HA ASP 61 5.740 -7.334 1.664 411 HB2 ASP 61 1HB ASP 61 4.787 -5.141 3.476 412 HB3 ASP 61 2HB ASP 61 3.706 -5.800 2.252 413 H LEU 62 H LEU 62 4.777 -6.882 -0.293 414 HA LEU 62 HA LEU 62 5.763 -4.476 -1.628 415 HB2 LEU 62 1HB LEU 62 4.365 -6.848 -2.847 416 HB3 LEU 62 2HB LEU 62 5.261 -5.586 -3.691 417 HG LEU 62 HG LEU 62 6.537 -7.531 -1.776 418 HD11 LEU 62 1HD1 LEU 62 5.420 -8.527 -3.870 419 HD12 LEU 62 2HD1 LEU 62 7.103 -8.933 -3.539 420 HD13 LEU 62 3HD1 LEU 62 6.712 -7.721 -4.759 421 HD21 LEU 62 1HD2 LEU 62 8.496 -6.538 -2.252 422 HD22 LEU 62 2HD2 LEU 62 7.482 -5.161 -2.687 423 HD23 LEU 62 3HD2 LEU 62 8.064 -6.259 -3.940 424 H VAL 63 H VAL 63 4.484 -2.848 -2.259 425 HA VAL 63 HA VAL 63 1.622 -3.057 -1.666 426 HB VAL 63 HB VAL 63 3.192 -0.561 -2.310 427 HG11 VAL 63 1HG1 VAL 63 0.428 -1.072 -2.063 428 HG12 VAL 63 2HG1 VAL 63 0.917 -0.162 -0.632 429 HG13 VAL 63 3HG1 VAL 63 1.236 0.485 -2.241 430 HG21 VAL 63 1HG2 VAL 63 2.666 -0.402 0.346 431 HG22 VAL 63 2HG2 VAL 63 2.981 -2.128 0.167 432 HG23 VAL 63 3HG2 VAL 63 4.197 -0.953 -0.335 433 H LEU 64 H LEU 64 0.244 -3.393 -3.270 434 HA LEU 64 HA LEU 64 1.091 -2.900 -6.022 435 HB2 LEU 64 1HB LEU 64 -1.301 -4.355 -4.906 436 HB3 LEU 64 2HB LEU 64 -0.934 -4.189 -6.621 437 HG LEU 64 HG LEU 64 -0.341 -6.403 -5.720 438 HD11 LEU 64 1HD1 LEU 64 1.054 -6.291 -7.447 439 HD12 LEU 64 2HD1 LEU 64 2.311 -5.856 -6.290 440 HD13 LEU 64 3HD1 LEU 64 1.419 -4.593 -7.138 441 HD21 LEU 64 1HD2 LEU 64 0.277 -5.488 -3.441 442 HD22 LEU 64 2HD2 LEU 64 1.817 -5.011 -4.155 443 HD23 LEU 64 3HD2 LEU 64 1.355 -6.713 -4.109 444 H HIS 65 H HIS 65 -1.505 -2.053 -3.771 445 HA HIS 65 HA HIS 65 -1.980 0.389 -5.278 446 HB2 HIS 65 1HB HIS 65 -4.292 -1.430 -4.595 447 HB3 HIS 65 2HB HIS 65 -4.340 0.060 -5.532 448 HD1 HIS 65 1HD HIS 65 -2.445 -0.247 -7.716 449 HD2 HIS 65 2HD HIS 65 -4.569 -3.514 -6.273 450 HE1 HIS 65 1HE HIS 65 -2.420 -1.940 -9.575 451 HE2 HIS 65 2HE HIS 65 -3.784 -3.873 -8.711 452 H ILE 66 H ILE 66 -3.922 1.591 -4.060 453 HA ILE 66 HA ILE 66 -3.880 1.155 -1.197 454 HB ILE 66 HB ILE 66 -2.719 3.666 -2.405 455 HG12 ILE 66 1HG1 ILE 66 -1.529 1.647 -0.491 456 HG13 ILE 66 2HG1 ILE 66 -1.180 1.729 -2.215 457 HG21 ILE 66 1HG2 ILE 66 -2.580 3.538 0.463 458 HG22 ILE 66 2HG2 ILE 66 -3.255 4.797 -0.570 459 HG23 ILE 66 3HG2 ILE 66 -4.255 3.431 -0.079 460 HD11 ILE 66 1HD1 ILE 66 -0.762 4.256 -0.830 461 HD12 ILE 66 2HD1 ILE 66 0.255 2.943 -0.237 462 HD13 ILE 66 3HD1 ILE 66 0.287 3.380 -1.945 463 H ASN 67 H ASN 67 -5.852 1.540 -0.448 464 HA ASN 67 HA ASN 67 -8.071 2.114 -0.475 465 HB2 ASN 67 1HB ASN 67 -6.570 4.698 -0.796 466 HB3 ASN 67 2HB ASN 67 -8.329 4.691 -0.713 467 HD21 ASN 67 1HD2 ASN 67 -5.611 5.039 1.058 468 HD22 ASN 67 2HD2 ASN 67 -6.214 4.608 2.618 469 H GLY 68 H GLY 68 -7.196 1.117 -2.985 470 HA2 GLY 68 1HA GLY 68 -8.216 0.822 -5.040 471 HA3 GLY 68 2HA GLY 68 -9.319 2.131 -4.639 472 H GLU 69 H GLU 69 -5.841 2.488 -4.527 473 HA GLU 69 HA GLU 69 -6.007 4.226 -6.903 474 HB2 GLU 69 1HB GLU 69 -4.308 4.554 -4.425 475 HB3 GLU 69 2HB GLU 69 -4.158 5.545 -5.869 476 HG2 GLU 69 1HG GLU 69 -6.780 5.317 -4.456 477 HG3 GLU 69 2HG GLU 69 -5.534 6.417 -3.870 478 H SER 70 H SER 70 -4.720 3.729 -8.552 479 HA SER 70 HA SER 70 -2.978 1.455 -8.382 480 HB2 SER 70 1HB SER 70 -3.912 3.278 -10.555 481 HB3 SER 70 2HB SER 70 -2.452 2.329 -10.834 482 HG SER 70 HG SER 70 -4.832 1.145 -9.880 483 H THR 71 H THR 71 -1.081 1.666 -7.384 484 HA THR 71 HA THR 71 0.389 4.146 -7.401 485 HB THR 71 HB THR 71 0.422 2.790 -5.384 486 HG1 THR 71 1HG THR 71 2.492 3.220 -5.024 487 HG21 THR 71 1HG2 THR 71 0.420 0.566 -5.599 488 HG22 THR 71 2HG2 THR 71 2.147 0.679 -5.941 489 HG23 THR 71 3HG2 THR 71 0.984 0.661 -7.267 490 H GLN 72 H GLN 72 -0.050 2.238 -9.837 491 HA GLN 72 HA GLN 72 2.354 1.184 -10.702 492 HB2 GLN 72 1HB GLN 72 0.097 0.980 -11.817 493 HB3 GLN 72 2HB GLN 72 0.367 2.580 -12.495 494 HG2 GLN 72 1HG GLN 72 2.102 1.849 -13.856 495 HG3 GLN 72 2HG GLN 72 2.354 0.383 -12.909 496 HE21 GLN 72 1HE2 GLN 72 2.275 -0.237 -15.352 497 HE22 GLN 72 2HE2 GLN 72 0.741 -0.816 -15.897 498 H GLY 73 H GLY 73 1.183 4.512 -10.899 499 HA2 GLY 73 1HA GLY 73 3.919 5.319 -11.660 500 HA3 GLY 73 2HA GLY 73 2.511 6.035 -12.431 501 H LEU 74 H LEU 74 2.842 5.236 -9.011 502 HA LEU 74 HA LEU 74 2.538 8.101 -8.407 503 HB2 LEU 74 1HB LEU 74 1.769 5.660 -6.818 504 HB3 LEU 74 2HB LEU 74 1.677 7.309 -6.202 505 HG LEU 74 HG LEU 74 0.097 6.191 -8.517 506 HD11 LEU 74 1HD1 LEU 74 -1.340 7.208 -6.202 507 HD12 LEU 74 2HD1 LEU 74 -0.322 5.818 -5.825 508 HD13 LEU 74 3HD1 LEU 74 -1.543 5.698 -7.092 509 HD21 LEU 74 1HD2 LEU 74 0.111 8.369 -9.117 510 HD22 LEU 74 2HD2 LEU 74 0.545 8.926 -7.501 511 HD23 LEU 74 3HD2 LEU 74 -1.126 8.491 -7.865 512 H THR 75 H THR 75 3.875 9.093 -6.940 513 HA THR 75 HA THR 75 6.366 7.684 -6.364 514 HB THR 75 HB THR 75 7.124 10.002 -5.611 515 HG1 THR 75 1HG THR 75 5.819 11.723 -6.370 516 HG21 THR 75 1HG2 THR 75 6.462 10.504 -8.375 517 HG22 THR 75 2HG2 THR 75 6.957 8.827 -8.142 518 HG23 THR 75 3HG2 THR 75 8.025 10.139 -7.647 519 H HIS 76 H HIS 76 7.426 8.356 -4.209 520 HA HIS 76 HA HIS 76 6.114 7.200 -2.099 521 HB2 HIS 76 1HB HIS 76 8.405 7.505 -1.784 522 HB3 HIS 76 2HB HIS 76 8.339 9.209 -2.227 523 HD1 HIS 76 1HD HIS 76 8.024 10.877 -0.367 524 HD2 HIS 76 2HD HIS 76 7.465 6.952 0.878 525 HE1 HIS 76 1HE HIS 76 7.852 10.984 2.140 526 HE2 HIS 76 2HE HIS 76 7.600 8.589 2.876 527 H ALA 77 H ALA 77 6.288 10.673 -2.842 528 HA ALA 77 HA ALA 77 4.752 11.558 -0.663 529 HB1 ALA 77 1HB ALA 77 5.581 13.441 -1.508 530 HB2 ALA 77 2HB ALA 77 5.853 12.700 -3.086 531 HB3 ALA 77 3HB ALA 77 4.275 13.383 -2.692 532 H GLN 78 H GLN 78 3.816 10.757 -3.996 533 HA GLN 78 HA GLN 78 1.115 11.426 -3.814 534 HB2 GLN 78 1HB GLN 78 2.438 9.266 -5.462 535 HB3 GLN 78 2HB GLN 78 0.794 9.842 -5.702 536 HG2 GLN 78 1HG GLN 78 3.189 11.648 -5.845 537 HG3 GLN 78 2HG GLN 78 2.552 10.782 -7.243 538 HE21 GLN 78 1HE2 GLN 78 1.981 12.628 -8.344 539 HE22 GLN 78 2HE2 GLN 78 0.670 13.642 -7.858 540 H ALA 79 H ALA 79 2.551 8.171 -3.531 541 HA ALA 79 HA ALA 79 0.347 6.723 -2.836 542 HB1 ALA 79 1HB ALA 79 3.168 6.388 -2.634 543 HB2 ALA 79 2HB ALA 79 2.418 5.798 -1.150 544 HB3 ALA 79 3HB ALA 79 1.909 5.155 -2.712 545 H VAL 80 H VAL 80 2.482 8.437 -0.553 546 HA VAL 80 HA VAL 80 1.093 7.832 1.785 547 HB VAL 80 HB VAL 80 2.650 10.345 1.159 548 HG11 VAL 80 1HG1 VAL 80 1.704 10.995 3.105 549 HG12 VAL 80 2HG1 VAL 80 1.333 9.342 3.602 550 HG13 VAL 80 3HG1 VAL 80 2.966 9.979 3.802 551 HG21 VAL 80 1HG2 VAL 80 4.475 9.083 1.223 552 HG22 VAL 80 2HG2 VAL 80 4.052 8.549 2.850 553 HG23 VAL 80 3HG2 VAL 80 3.482 7.643 1.449 554 H GLU 81 H GLU 81 0.934 10.896 -0.045 555 HA GLU 81 HA GLU 81 -1.005 12.237 1.241 556 HB2 GLU 81 1HB GLU 81 0.044 13.090 -0.783 557 HB3 GLU 81 2HB GLU 81 -0.804 11.896 -1.756 558 HG2 GLU 81 1HG GLU 81 -2.884 12.940 -1.414 559 HG3 GLU 81 2HG GLU 81 -2.252 13.943 -0.110 560 H ARG 82 H ARG 82 -1.594 9.608 -1.069 561 HA ARG 82 HA ARG 82 -4.378 9.679 -1.071 562 HB2 ARG 82 1HB ARG 82 -2.526 7.307 -1.365 563 HB3 ARG 82 2HB ARG 82 -4.243 7.285 -1.742 564 HG2 ARG 82 1HG ARG 82 -2.230 9.088 -3.068 565 HG3 ARG 82 2HG ARG 82 -2.792 7.549 -3.724 566 HD2 ARG 82 1HD ARG 82 -4.149 9.093 -4.798 567 HD3 ARG 82 2HD ARG 82 -5.152 8.559 -3.450 568 HE ARG 82 HE ARG 82 -3.578 10.902 -2.887 569 HH11 ARG 82 2HH1 ARG 82 -6.579 9.693 -4.173 570 HH12 ARG 82 1HH1 ARG 82 -7.444 11.168 -3.895 571 HH21 ARG 82 2HH2 ARG 82 -4.706 12.850 -2.516 572 HH22 ARG 82 1HH2 ARG 82 -6.377 12.963 -2.953 573 H ILE 83 H ILE 83 -2.165 7.882 1.047 574 HA ILE 83 HA ILE 83 -4.075 6.495 2.533 575 HB ILE 83 HB ILE 83 -1.436 7.552 3.552 576 HG12 ILE 83 1HG1 ILE 83 -1.931 4.810 2.410 577 HG13 ILE 83 2HG1 ILE 83 -1.444 6.156 1.385 578 HG21 ILE 83 1HG2 ILE 83 -1.663 5.354 4.914 579 HG22 ILE 83 2HG2 ILE 83 -2.546 6.789 5.431 580 HG23 ILE 83 3HG2 ILE 83 -3.380 5.512 4.547 581 HD11 ILE 83 1HD1 ILE 83 0.499 6.416 3.066 582 HD12 ILE 83 2HD1 ILE 83 0.091 4.763 3.529 583 HD13 ILE 83 3HD1 ILE 83 0.558 5.124 1.867 584 H ARG 84 H ARG 84 -2.356 9.460 3.537 585 HA ARG 84 HA ARG 84 -3.835 10.016 5.800 586 HB2 ARG 84 1HB ARG 84 -2.448 11.849 3.850 587 HB3 ARG 84 2HB ARG 84 -3.207 12.445 5.320 588 HG2 ARG 84 1HG ARG 84 -1.086 10.316 5.310 589 HG3 ARG 84 2HG ARG 84 -0.737 12.040 5.457 590 HD2 ARG 84 1HD ARG 84 -2.614 10.576 7.298 591 HD3 ARG 84 2HD ARG 84 -0.890 10.749 7.623 592 HE ARG 84 HE ARG 84 -2.914 12.761 7.908 593 HH11 ARG 84 2HH1 ARG 84 0.473 12.189 7.340 594 HH12 ARG 84 1HH1 ARG 84 0.969 13.735 7.944 595 HH21 ARG 84 2HH2 ARG 84 -2.273 14.800 8.705 596 HH22 ARG 84 1HH2 ARG 84 -0.594 15.219 8.720 597 H ALA 85 H ALA 85 -4.401 11.247 2.505 598 HA ALA 85 HA ALA 85 -6.726 12.700 3.088 599 HB1 ALA 85 1HB ALA 85 -5.188 12.483 0.913 600 HB2 ALA 85 2HB ALA 85 -6.527 11.445 0.418 601 HB3 ALA 85 3HB ALA 85 -6.831 13.124 0.866 602 H GLY 86 H GLY 86 -6.211 9.301 2.460 603 HA2 GLY 86 1HA GLY 86 -8.617 8.331 1.678 604 HA3 GLY 86 2HA GLY 86 -7.625 7.522 2.883 605 H GLY 87 H GLY 87 -7.815 9.341 4.987 606 HA2 GLY 87 1HA GLY 87 -9.702 10.521 6.128 607 HA3 GLY 87 2HA GLY 87 -10.698 9.168 5.614 608 HA PRO 88 HA PRO 88 -9.437 8.228 9.923 609 HB2 PRO 88 1HB PRO 88 -11.789 7.037 10.574 610 HB3 PRO 88 2HB PRO 88 -11.541 8.785 10.658 611 HG2 PRO 88 1HG PRO 88 -12.862 7.160 8.519 612 HG3 PRO 88 2HG PRO 88 -13.372 8.703 9.227 613 HD2 PRO 88 1HD PRO 88 -12.113 8.544 6.835 614 HD3 PRO 88 2HD PRO 88 -11.910 9.926 7.931 615 H GLN 89 H GLN 89 -10.691 6.319 7.297 616 HA GLN 89 HA GLN 89 -9.725 3.855 8.572 617 HB2 GLN 89 1HB GLN 89 -11.511 4.224 6.161 618 HB3 GLN 89 2HB GLN 89 -11.016 2.673 6.828 619 HG2 GLN 89 1HG GLN 89 -12.081 3.567 9.018 620 HG3 GLN 89 2HG GLN 89 -12.906 4.694 7.943 621 HE21 GLN 89 1HE2 GLN 89 -13.228 1.849 9.480 622 HE22 GLN 89 2HE2 GLN 89 -14.368 1.067 8.444 623 H LEU 90 H LEU 90 -8.024 2.756 7.780 624 HA LEU 90 HA LEU 90 -6.678 3.890 5.426 625 HB2 LEU 90 1HB LEU 90 -5.155 4.011 7.146 626 HB3 LEU 90 2HB LEU 90 -5.728 2.523 7.898 627 HG LEU 90 HG LEU 90 -4.337 2.345 5.269 628 HD11 LEU 90 1HD1 LEU 90 -3.125 3.273 7.798 629 HD12 LEU 90 2HD1 LEU 90 -2.629 3.549 6.129 630 HD13 LEU 90 3HD1 LEU 90 -2.255 2.017 6.917 631 HD21 LEU 90 1HD2 LEU 90 -5.192 0.595 7.389 632 HD22 LEU 90 2HD2 LEU 90 -3.461 0.419 7.095 633 HD23 LEU 90 3HD2 LEU 90 -4.608 0.199 5.773 634 H HIS 91 H HIS 91 -6.482 2.733 3.619 635 HA HIS 91 HA HIS 91 -6.892 -0.177 3.755 636 HB2 HIS 91 1HB HIS 91 -8.886 1.263 2.880 637 HB3 HIS 91 2HB HIS 91 -7.911 1.411 1.421 638 HD1 HIS 91 1HD HIS 91 -7.964 -0.512 -0.186 639 HD2 HIS 91 2HD HIS 91 -9.627 -1.469 3.500 640 HE1 HIS 91 1HE HIS 91 -8.999 -2.784 -0.484 641 HE2 HIS 91 2HE HIS 91 -10.073 -3.305 1.734 642 H LEU 92 H LEU 92 -5.098 -1.142 3.092 643 HA LEU 92 HA LEU 92 -3.651 0.002 0.798 644 HB2 LEU 92 1HB LEU 92 -2.336 -1.388 3.120 645 HB3 LEU 92 2HB LEU 92 -1.551 -0.550 1.784 646 HG LEU 92 HG LEU 92 -3.247 0.819 3.867 647 HD11 LEU 92 1HD1 LEU 92 -1.482 1.045 5.223 648 HD12 LEU 92 2HD1 LEU 92 -0.357 1.274 3.884 649 HD13 LEU 92 3HD1 LEU 92 -0.838 -0.354 4.363 650 HD21 LEU 92 1HD2 LEU 92 -1.208 2.315 2.403 651 HD22 LEU 92 2HD2 LEU 92 -2.886 2.728 2.756 652 HD23 LEU 92 3HD2 LEU 92 -2.503 1.688 1.383 653 H VAL 93 H VAL 93 -3.290 -1.371 -0.825 654 HA VAL 93 HA VAL 93 -4.136 -4.135 -0.528 655 HB VAL 93 HB VAL 93 -3.118 -2.787 -3.029 656 HG11 VAL 93 1HG1 VAL 93 -5.147 -4.898 -3.185 657 HG12 VAL 93 2HG1 VAL 93 -3.684 -4.654 -4.141 658 HG13 VAL 93 3HG1 VAL 93 -3.585 -5.426 -2.558 659 HG21 VAL 93 1HG2 VAL 93 -5.705 -2.733 -3.468 660 HG22 VAL 93 2HG2 VAL 93 -5.789 -2.698 -1.707 661 HG23 VAL 93 3HG2 VAL 93 -4.917 -1.434 -2.573 662 H ILE 94 H ILE 94 -2.692 -5.531 0.243 663 HA ILE 94 HA ILE 94 0.067 -5.386 -0.785 664 HB ILE 94 HB ILE 94 -0.765 -6.421 1.927 665 HG12 ILE 94 1HG1 ILE 94 -1.053 -4.015 1.864 666 HG13 ILE 94 2HG1 ILE 94 0.389 -4.397 2.798 667 HG21 ILE 94 1HG2 ILE 94 2.022 -5.773 1.035 668 HG22 ILE 94 2HG2 ILE 94 1.492 -6.781 2.381 669 HG23 ILE 94 3HG2 ILE 94 1.306 -7.354 0.724 670 HD11 ILE 94 1HD1 ILE 94 1.346 -4.066 0.236 671 HD12 ILE 94 2HD1 ILE 94 0.101 -2.826 0.387 672 HD13 ILE 94 3HD1 ILE 94 1.427 -2.891 1.548 673 H ARG 95 H ARG 95 1.069 -7.295 -1.367 674 HA ARG 95 HA ARG 95 -0.518 -9.758 -1.195 675 HB2 ARG 95 1HB ARG 95 -0.983 -9.019 -3.400 676 HB3 ARG 95 2HB ARG 95 0.689 -8.548 -3.674 677 HG2 ARG 95 1HG ARG 95 1.339 -10.928 -3.584 678 HG3 ARG 95 2HG ARG 95 -0.365 -11.355 -3.418 679 HD2 ARG 95 1HD ARG 95 -0.879 -10.630 -5.579 680 HD3 ARG 95 2HD ARG 95 0.597 -9.673 -5.705 681 HE ARG 95 HE ARG 95 1.140 -12.460 -5.416 682 HH11 ARG 95 2HH1 ARG 95 0.224 -9.998 -7.700 683 HH12 ARG 95 1HH1 ARG 95 0.864 -10.845 -9.068 684 HH21 ARG 95 2HH2 ARG 95 1.986 -13.586 -7.210 685 HH22 ARG 95 1HH2 ARG 95 1.866 -12.887 -8.789 686 H ARG 96 H ARG 96 0.724 -10.959 0.112 687 HA ARG 96 HA ARG 96 3.489 -10.793 0.410 688 HB2 ARG 96 1HB ARG 96 1.964 -11.900 2.015 689 HB3 ARG 96 2HB ARG 96 1.739 -13.214 0.869 690 HG2 ARG 96 1HG ARG 96 3.331 -14.112 2.235 691 HG3 ARG 96 2HG ARG 96 4.351 -13.365 1.003 692 HD2 ARG 96 1HD ARG 96 5.338 -12.687 2.996 693 HD3 ARG 96 2HD ARG 96 4.335 -11.307 2.551 694 HE ARG 96 HE ARG 96 2.745 -12.845 4.164 695 HH11 ARG 96 2HH1 ARG 96 5.859 -11.319 4.468 696 HH12 ARG 96 1HH1 ARG 96 5.716 -11.072 6.177 697 HH21 ARG 96 2HH2 ARG 96 2.545 -12.525 6.414 698 HH22 ARG 96 1HH2 ARG 96 3.831 -11.759 7.283 699 HA PRO 97 HA PRO 97 4.770 -12.623 -3.448 700 HB2 PRO 97 1HB PRO 97 7.434 -12.461 -2.954 701 HB3 PRO 97 2HB PRO 97 6.462 -11.069 -3.446 702 HG2 PRO 97 1HG PRO 97 7.372 -11.871 -0.709 703 HG3 PRO 97 2HG PRO 97 7.346 -10.261 -1.453 704 HD2 PRO 97 1HD PRO 97 5.449 -11.091 0.292 705 HD3 PRO 97 2HD PRO 97 5.098 -9.968 -1.037 706 H LEU 98 H LEU 98 5.617 -14.593 -4.134 707 HA LEU 98 HA LEU 98 5.679 -16.664 -2.108 708 HB2 LEU 98 1HB LEU 98 5.539 -16.588 -5.081 709 HB3 LEU 98 2HB LEU 98 6.111 -18.060 -4.299 710 HG LEU 98 HG LEU 98 3.461 -16.790 -3.648 711 HD11 LEU 98 1HD1 LEU 98 2.439 -18.427 -5.133 712 HD12 LEU 98 2HD1 LEU 98 4.034 -18.984 -5.635 713 HD13 LEU 98 3HD1 LEU 98 3.509 -17.347 -6.027 714 HD21 LEU 98 1HD2 LEU 98 4.172 -19.675 -3.356 715 HD22 LEU 98 2HD2 LEU 98 2.990 -18.712 -2.468 716 HD23 LEU 98 3HD2 LEU 98 4.713 -18.513 -2.144 717 H SER 99 H SER 99 7.838 -14.873 -1.932 718 HA SER 99 HA SER 99 10.088 -16.601 -2.732 719 HB2 SER 99 1HB SER 99 9.936 -14.302 -3.839 720 HB3 SER 99 2HB SER 99 10.303 -13.629 -2.250 721 HG SER 99 HG SER 99 12.059 -15.542 -2.703 722 H GLY 100 H GLY 100 11.752 -16.934 -1.246 723 HA2 GLY 100 1HA GLY 100 11.087 -16.144 1.524 724 HA3 GLY 100 2HA GLY 100 11.798 -17.695 1.102 725 HA PRO 101 HA PRO 101 15.316 -14.471 0.373 726 HB2 PRO 101 1HB PRO 101 14.792 -11.891 1.035 727 HB3 PRO 101 2HB PRO 101 14.485 -12.551 -0.576 728 HG2 PRO 101 1HG PRO 101 12.573 -12.105 1.684 729 HG3 PRO 101 2HG PRO 101 12.359 -11.773 -0.045 730 HD2 PRO 101 1HD PRO 101 11.325 -13.969 1.156 731 HD3 PRO 101 2HD PRO 101 11.867 -13.971 -0.534 732 H SER 102 H SER 102 16.822 -14.661 1.901 733 HA SER 102 HA SER 102 16.372 -13.565 4.558 734 HB2 SER 102 1HB SER 102 16.544 -16.475 3.951 735 HB3 SER 102 2HB SER 102 17.393 -15.895 5.384 736 HG SER 102 HG SER 102 14.980 -16.543 5.411 737 H SER 103 H SER 103 18.065 -12.228 4.643 738 HA SER 103 HA SER 103 20.702 -13.258 3.832 739 HB2 SER 103 1HB SER 103 21.380 -10.979 3.430 740 HB3 SER 103 2HB SER 103 19.840 -11.241 2.610 741 HG SER 103 HG SER 103 19.063 -10.404 4.861 742 H GLY 104 H GLY 104 21.947 -13.855 5.471 743 HA2 GLY 104 1HA GLY 104 22.202 -12.115 7.791 744 HA3 GLY 104 2HA GLY 104 21.598 -13.733 8.112 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -16.392 -2.602 3.467 2 HA2 GLY 1 1HA GLY 1 -14.664 -2.255 1.872 3 HA3 GLY 1 2HA GLY 1 -16.068 -2.676 0.903 4 H SER 2 H SER 2 -15.951 -1.462 -0.875 5 HA SER 2 HA SER 2 -15.786 1.450 -0.525 6 HB2 SER 2 1HB SER 2 -14.227 1.720 -2.284 7 HB3 SER 2 2HB SER 2 -13.587 0.393 -1.315 8 HG SER 2 HG SER 2 -14.555 0.393 -3.894 9 H SER 3 H SER 3 -16.543 2.632 -2.497 10 HA SER 3 HA SER 3 -19.122 2.152 -3.130 11 HB2 SER 3 1HB SER 3 -17.749 4.170 -3.786 12 HB3 SER 3 2HB SER 3 -17.171 3.239 -5.167 13 HG SER 3 HG SER 3 -18.946 3.763 -6.136 14 H GLY 4 H GLY 4 -16.354 1.026 -5.073 15 HA2 GLY 4 1HA GLY 4 -17.999 -0.463 -6.880 16 HA3 GLY 4 2HA GLY 4 -16.247 -0.540 -6.762 17 H SER 5 H SER 5 -17.147 -2.867 -7.263 18 HA SER 5 HA SER 5 -18.095 -4.333 -4.984 19 HB2 SER 5 1HB SER 5 -17.942 -6.287 -6.406 20 HB3 SER 5 2HB SER 5 -18.629 -4.961 -7.343 21 HG SER 5 HG SER 5 -17.076 -5.366 -8.690 22 H SER 6 H SER 6 -16.978 -5.658 -3.620 23 HA SER 6 HA SER 6 -14.040 -5.535 -3.812 24 HB2 SER 6 1HB SER 6 -15.820 -5.703 -1.370 25 HB3 SER 6 2HB SER 6 -14.063 -5.851 -1.324 26 HG SER 6 HG SER 6 -15.482 -3.611 -2.338 27 H GLY 7 H GLY 7 -13.187 -7.397 -4.447 28 HA2 GLY 7 1HA GLY 7 -14.613 -9.897 -3.878 29 HA3 GLY 7 2HA GLY 7 -13.332 -9.687 -5.064 30 H GLN 8 H GLN 8 -13.284 -11.823 -3.347 31 HA GLN 8 HA GLN 8 -11.219 -11.097 -1.379 32 HB2 GLN 8 1HB GLN 8 -13.039 -13.509 -1.475 33 HB3 GLN 8 2HB GLN 8 -11.774 -13.254 -0.279 34 HG2 GLN 8 1HG GLN 8 -13.903 -12.665 0.659 35 HG3 GLN 8 2HG GLN 8 -12.922 -11.213 0.468 36 HE21 GLN 8 1HE2 GLN 8 -15.219 -13.130 -1.446 37 HE22 GLN 8 2HE2 GLN 8 -16.111 -11.777 -2.044 38 H ALA 9 H ALA 9 -9.503 -11.116 -2.869 39 HA ALA 9 HA ALA 9 -8.952 -13.575 -4.325 40 HB1 ALA 9 1HB ALA 9 -7.044 -12.322 -5.260 41 HB2 ALA 9 2HB ALA 9 -8.582 -11.492 -5.493 42 HB3 ALA 9 3HB ALA 9 -7.470 -10.950 -4.237 43 H SER 10 H SER 10 -6.858 -14.629 -4.172 44 HA SER 10 HA SER 10 -5.981 -14.794 -1.392 45 HB2 SER 10 1HB SER 10 -6.593 -16.795 -2.999 46 HB3 SER 10 2HB SER 10 -4.926 -16.594 -3.539 47 HG SER 10 HG SER 10 -5.794 -17.052 -0.874 48 H GLY 11 H GLY 11 -4.567 -14.436 -4.639 49 HA2 GLY 11 1HA GLY 11 -1.900 -14.145 -3.880 50 HA3 GLY 11 2HA GLY 11 -2.610 -13.458 -5.333 51 H HIS 12 H HIS 12 -4.300 -11.574 -4.462 52 HA HIS 12 HA HIS 12 -2.514 -9.706 -3.059 53 HB2 HIS 12 1HB HIS 12 -4.909 -8.766 -4.572 54 HB3 HIS 12 2HB HIS 12 -3.350 -7.981 -4.342 55 HD1 HIS 12 1HD HIS 12 -5.234 -9.320 -6.946 56 HD2 HIS 12 2HD HIS 12 -1.270 -9.786 -5.793 57 HE1 HIS 12 1HE HIS 12 -4.028 -10.136 -8.997 58 HE2 HIS 12 2HE HIS 12 -1.649 -10.492 -8.252 59 H PHE 13 H PHE 13 -3.255 -8.458 -1.359 60 HA PHE 13 HA PHE 13 -5.983 -8.930 -0.405 61 HB2 PHE 13 1HB PHE 13 -5.169 -9.320 1.889 62 HB3 PHE 13 2HB PHE 13 -4.596 -10.558 0.776 63 HD1 PHE 13 1HD PHE 13 -2.241 -10.514 -0.005 64 HD2 PHE 13 2HD PHE 13 -3.666 -7.920 3.054 65 HE1 PHE 13 1HE PHE 13 0.076 -10.077 0.699 66 HE2 PHE 13 2HE PHE 13 -1.352 -7.478 3.762 67 HZ PHE 13 HZ PHE 13 0.523 -8.556 2.584 68 H SER 14 H SER 14 -6.520 -7.440 1.453 69 HA SER 14 HA SER 14 -5.224 -4.830 1.012 70 HB2 SER 14 1HB SER 14 -7.339 -3.763 1.412 71 HB3 SER 14 2HB SER 14 -7.611 -5.046 0.233 72 HG SER 14 HG SER 14 -9.078 -4.808 2.183 73 H VAL 15 H VAL 15 -5.283 -3.338 2.859 74 HA VAL 15 HA VAL 15 -5.151 -4.774 5.432 75 HB VAL 15 HB VAL 15 -3.377 -2.556 4.412 76 HG11 VAL 15 1HG1 VAL 15 -2.374 -3.275 6.858 77 HG12 VAL 15 2HG1 VAL 15 -3.326 -1.826 6.528 78 HG13 VAL 15 3HG1 VAL 15 -4.113 -3.279 7.144 79 HG21 VAL 15 1HG2 VAL 15 -2.363 -5.076 5.611 80 HG22 VAL 15 2HG2 VAL 15 -3.058 -5.157 3.992 81 HG23 VAL 15 3HG2 VAL 15 -1.691 -4.090 4.313 82 H GLU 16 H GLU 16 -6.534 -4.074 6.912 83 HA GLU 16 HA GLU 16 -7.663 -1.372 6.611 84 HB2 GLU 16 1HB GLU 16 -8.938 -3.559 8.227 85 HB3 GLU 16 2HB GLU 16 -9.685 -2.132 7.523 86 HG2 GLU 16 1HG GLU 16 -9.131 -3.161 5.261 87 HG3 GLU 16 2HG GLU 16 -8.808 -4.648 6.150 88 H LEU 17 H LEU 17 -7.457 0.071 8.220 89 HA LEU 17 HA LEU 17 -6.890 -0.744 10.928 90 HB2 LEU 17 1HB LEU 17 -4.860 0.886 9.409 91 HB3 LEU 17 2HB LEU 17 -4.790 0.464 11.119 92 HG LEU 17 HG LEU 17 -4.731 -1.594 8.921 93 HD11 LEU 17 1HD1 LEU 17 -2.265 -0.803 10.371 94 HD12 LEU 17 2HD1 LEU 17 -2.821 0.231 9.055 95 HD13 LEU 17 3HD1 LEU 17 -2.465 -1.469 8.750 96 HD21 LEU 17 1HD2 LEU 17 -4.168 -3.119 10.561 97 HD22 LEU 17 2HD2 LEU 17 -5.333 -2.094 11.399 98 HD23 LEU 17 3HD2 LEU 17 -3.604 -1.874 11.676 99 H VAL 18 H VAL 18 -6.969 1.026 12.437 100 HA VAL 18 HA VAL 18 -8.320 3.404 11.335 101 HB VAL 18 HB VAL 18 -8.754 2.084 14.018 102 HG11 VAL 18 1HG1 VAL 18 -9.910 4.601 12.833 103 HG12 VAL 18 2HG1 VAL 18 -10.589 3.773 14.236 104 HG13 VAL 18 3HG1 VAL 18 -8.959 4.443 14.309 105 HG21 VAL 18 1HG2 VAL 18 -9.887 1.578 11.479 106 HG22 VAL 18 2HG2 VAL 18 -10.358 0.901 13.037 107 HG23 VAL 18 3HG2 VAL 18 -11.119 2.381 12.452 108 H ARG 19 H ARG 19 -7.090 5.154 11.456 109 HA ARG 19 HA ARG 19 -4.688 5.569 12.532 110 HB2 ARG 19 1HB ARG 19 -7.008 7.381 12.137 111 HB3 ARG 19 2HB ARG 19 -5.675 7.995 13.107 112 HG2 ARG 19 1HG ARG 19 -4.245 8.084 11.343 113 HG3 ARG 19 2HG ARG 19 -5.012 6.729 10.511 114 HD2 ARG 19 1HD ARG 19 -5.575 8.572 9.200 115 HD3 ARG 19 2HD ARG 19 -7.006 8.316 10.197 116 HE ARG 19 HE ARG 19 -5.116 10.197 11.290 117 HH11 ARG 19 2HH1 ARG 19 -7.883 9.756 9.224 118 HH12 ARG 19 1HH1 ARG 19 -8.413 11.400 9.364 119 HH21 ARG 19 2HH2 ARG 19 -5.803 12.364 11.482 120 HH22 ARG 19 1HH2 ARG 19 -7.229 12.883 10.648 121 H GLY 20 H GLY 20 -3.719 5.947 14.472 122 HA2 GLY 20 1HA GLY 20 -5.473 5.912 16.851 123 HA3 GLY 20 2HA GLY 20 -3.983 4.983 16.769 124 H TYR 21 H TYR 21 -1.972 6.091 16.804 125 HA TYR 21 HA TYR 21 -2.085 8.525 18.372 126 HB2 TYR 21 1HB TYR 21 -0.511 6.479 18.721 127 HB3 TYR 21 2HB TYR 21 0.458 7.220 17.453 128 HD1 TYR 21 2HD TYR 21 1.274 9.605 17.811 129 HD2 TYR 21 1HD TYR 21 -0.362 7.230 20.940 130 HE1 TYR 21 2HE TYR 21 2.329 11.079 19.474 131 HE2 TYR 21 1HE TYR 21 0.688 8.698 22.611 132 HH TYR 21 HH TYR 21 2.203 10.347 22.921 133 H ALA 22 H ALA 22 -2.933 9.885 16.669 134 HA ALA 22 HA ALA 22 -2.801 11.300 14.869 135 HB1 ALA 22 1HB ALA 22 -0.206 11.610 16.325 136 HB2 ALA 22 2HB ALA 22 -0.541 12.560 14.876 137 HB3 ALA 22 3HB ALA 22 -1.600 12.690 16.280 138 H GLY 23 H GLY 23 -2.536 8.783 13.918 139 HA2 GLY 23 1HA GLY 23 -1.757 8.778 11.430 140 HA3 GLY 23 2HA GLY 23 -0.169 8.767 12.182 141 H PHE 24 H PHE 24 -0.172 6.745 10.768 142 HA PHE 24 HA PHE 24 -1.378 4.477 12.197 143 HB2 PHE 24 1HB PHE 24 -0.369 4.759 9.365 144 HB3 PHE 24 2HB PHE 24 -0.801 3.208 10.077 145 HD1 PHE 24 1HD PHE 24 -3.184 3.002 11.040 146 HD2 PHE 24 2HD PHE 24 -1.979 6.043 8.316 147 HE1 PHE 24 1HE PHE 24 -5.536 3.371 10.417 148 HE2 PHE 24 2HE PHE 24 -4.329 6.417 7.690 149 HZ PHE 24 HZ PHE 24 -6.111 5.081 8.741 150 H GLY 25 H GLY 25 1.517 6.111 11.826 151 HA2 GLY 25 1HA GLY 25 3.650 5.653 12.545 152 HA3 GLY 25 2HA GLY 25 2.980 4.258 13.377 153 H LEU 26 H LEU 26 2.517 4.541 9.963 154 HA LEU 26 HA LEU 26 4.460 2.365 9.564 155 HB2 LEU 26 1HB LEU 26 2.007 1.927 9.145 156 HB3 LEU 26 2HB LEU 26 2.129 3.043 7.787 157 HG LEU 26 HG LEU 26 3.789 1.554 6.740 158 HD11 LEU 26 1HD1 LEU 26 3.651 -0.858 7.851 159 HD12 LEU 26 2HD1 LEU 26 3.465 0.116 9.309 160 HD13 LEU 26 3HD1 LEU 26 4.891 0.318 8.290 161 HD21 LEU 26 1HD2 LEU 26 1.846 0.983 5.768 162 HD22 LEU 26 2HD2 LEU 26 1.000 0.829 7.309 163 HD23 LEU 26 3HD2 LEU 26 2.009 -0.493 6.721 164 H THR 27 H THR 27 6.218 2.828 8.434 165 HA THR 27 HA THR 27 6.163 5.165 6.641 166 HB THR 27 HB THR 27 8.538 3.943 8.059 167 HG1 THR 27 1HG THR 27 8.450 5.835 9.306 168 HG21 THR 27 1HG2 THR 27 8.269 6.208 6.104 169 HG22 THR 27 2HG2 THR 27 9.394 4.849 6.075 170 HG23 THR 27 3HG2 THR 27 9.601 6.141 7.257 171 H LEU 28 H LEU 28 7.173 5.032 4.618 172 HA LEU 28 HA LEU 28 7.580 2.281 3.652 173 HB2 LEU 28 1HB LEU 28 6.365 4.706 2.449 174 HB3 LEU 28 2HB LEU 28 7.236 3.612 1.377 175 HG LEU 28 HG LEU 28 5.018 2.666 3.174 176 HD11 LEU 28 1HD1 LEU 28 4.553 4.556 1.331 177 HD12 LEU 28 2HD1 LEU 28 3.408 3.270 1.711 178 HD13 LEU 28 3HD1 LEU 28 4.469 3.121 0.310 179 HD21 LEU 28 1HD2 LEU 28 4.963 0.773 1.748 180 HD22 LEU 28 2HD2 LEU 28 6.658 1.051 2.151 181 HD23 LEU 28 3HD2 LEU 28 6.035 1.539 0.574 182 H GLY 29 H GLY 29 9.522 1.714 2.899 183 HA2 GLY 29 1HA GLY 29 11.543 3.836 2.614 184 HA3 GLY 29 2HA GLY 29 11.885 2.150 2.971 185 H GLY 30 H GLY 30 11.985 4.460 0.610 186 HA2 GLY 30 1HA GLY 30 13.030 3.918 -1.492 187 HA3 GLY 30 2HA GLY 30 12.172 2.384 -1.472 188 H GLY 31 H GLY 31 10.788 2.343 -3.115 189 HA2 GLY 31 1HA GLY 31 8.746 2.917 -4.126 190 HA3 GLY 31 2HA GLY 31 8.814 4.479 -3.324 191 H ARG 32 H ARG 32 8.052 4.611 -5.832 192 HA ARG 32 HA ARG 32 10.202 4.806 -7.709 193 HB2 ARG 32 1HB ARG 32 7.861 4.308 -8.367 194 HB3 ARG 32 2HB ARG 32 7.404 5.937 -7.889 195 HG2 ARG 32 1HG ARG 32 7.643 6.030 -10.211 196 HG3 ARG 32 2HG ARG 32 9.125 6.747 -9.576 197 HD2 ARG 32 1HD ARG 32 9.822 5.303 -11.296 198 HD3 ARG 32 2HD ARG 32 10.159 4.439 -9.797 199 HE ARG 32 HE ARG 32 8.549 2.885 -10.352 200 HH11 ARG 32 2HH1 ARG 32 8.393 5.597 -12.529 201 HH12 ARG 32 1HH1 ARG 32 7.318 4.812 -13.638 202 HH21 ARG 32 2HH2 ARG 32 7.134 1.841 -11.804 203 HH22 ARG 32 1HH2 ARG 32 6.602 2.676 -13.224 204 H ASP 33 H ASP 33 11.732 6.298 -7.404 205 HA ASP 33 HA ASP 33 10.877 9.048 -6.774 206 HB2 ASP 33 1HB ASP 33 13.611 7.908 -6.198 207 HB3 ASP 33 2HB ASP 33 12.911 9.405 -5.589 208 H VAL 34 H VAL 34 12.159 10.768 -7.718 209 HA VAL 34 HA VAL 34 12.551 10.453 -10.478 210 HB VAL 34 HB VAL 34 12.035 12.624 -9.501 211 HG11 VAL 34 1HG1 VAL 34 13.291 12.422 -7.428 212 HG12 VAL 34 2HG1 VAL 34 14.810 12.496 -8.324 213 HG13 VAL 34 3HG1 VAL 34 13.740 13.898 -8.283 214 HG21 VAL 34 1HG2 VAL 34 14.239 12.146 -11.333 215 HG22 VAL 34 2HG2 VAL 34 12.903 13.291 -11.448 216 HG23 VAL 34 3HG2 VAL 34 14.351 13.714 -10.535 217 H ALA 35 H ALA 35 14.805 10.377 -7.774 218 HA ALA 35 HA ALA 35 16.961 9.676 -9.657 219 HB1 ALA 35 1HB ALA 35 17.864 11.505 -8.662 220 HB2 ALA 35 2HB ALA 35 16.932 11.297 -7.178 221 HB3 ALA 35 3HB ALA 35 18.354 10.296 -7.474 222 H GLY 36 H GLY 36 14.922 7.890 -8.471 223 HA2 GLY 36 1HA GLY 36 16.537 5.682 -7.897 224 HA3 GLY 36 2HA GLY 36 16.029 6.374 -6.363 225 H ASP 37 H ASP 37 15.095 4.534 -9.119 226 HA ASP 37 HA ASP 37 12.286 4.493 -8.353 227 HB2 ASP 37 1HB ASP 37 11.914 3.231 -10.368 228 HB3 ASP 37 2HB ASP 37 12.987 4.573 -10.756 229 H THR 38 H THR 38 11.567 3.124 -6.876 230 HA THR 38 HA THR 38 12.544 0.383 -6.827 231 HB THR 38 HB THR 38 12.731 0.529 -4.273 232 HG1 THR 38 1HG THR 38 11.916 2.895 -4.543 233 HG21 THR 38 1HG2 THR 38 15.085 1.365 -4.406 234 HG22 THR 38 2HG2 THR 38 14.765 1.841 -6.074 235 HG23 THR 38 3HG2 THR 38 14.684 0.142 -5.611 236 HA PRO 39 HA PRO 39 8.316 -0.469 -5.972 237 HB2 PRO 39 1HB PRO 39 8.559 -2.903 -4.794 238 HB3 PRO 39 2HB PRO 39 8.788 -2.647 -6.528 239 HG2 PRO 39 1HG PRO 39 10.840 -2.893 -4.362 240 HG3 PRO 39 2HG PRO 39 10.836 -3.607 -5.985 241 HD2 PRO 39 1HD PRO 39 12.264 -1.390 -5.373 242 HD3 PRO 39 2HD PRO 39 11.562 -1.659 -6.981 243 H LEU 40 H LEU 40 7.271 0.655 -4.448 244 HA LEU 40 HA LEU 40 8.099 1.278 -1.905 245 HB2 LEU 40 1HB LEU 40 5.446 1.107 -3.228 246 HB3 LEU 40 2HB LEU 40 5.481 1.295 -1.476 247 HG LEU 40 HG LEU 40 6.797 3.181 -3.429 248 HD11 LEU 40 1HD1 LEU 40 4.052 3.006 -2.391 249 HD12 LEU 40 2HD1 LEU 40 4.673 3.790 -3.843 250 HD13 LEU 40 3HD1 LEU 40 4.807 4.597 -2.281 251 HD21 LEU 40 1HD2 LEU 40 6.240 4.337 -0.906 252 HD22 LEU 40 2HD2 LEU 40 7.809 4.037 -1.652 253 HD23 LEU 40 3HD2 LEU 40 7.072 2.808 -0.623 254 H ALA 41 H ALA 41 8.360 0.191 -0.071 255 HA ALA 41 HA ALA 41 6.699 -2.117 0.533 256 HB1 ALA 41 1HB ALA 41 9.480 -2.331 -0.327 257 HB2 ALA 41 2HB ALA 41 9.150 -3.135 1.208 258 HB3 ALA 41 3HB ALA 41 8.223 -3.565 -0.230 259 H VAL 42 H VAL 42 6.233 -2.214 2.645 260 HA VAL 42 HA VAL 42 6.551 -0.287 4.464 261 HB VAL 42 HB VAL 42 6.630 -3.251 5.023 262 HG11 VAL 42 1HG1 VAL 42 5.583 -1.806 7.221 263 HG12 VAL 42 2HG1 VAL 42 7.026 -2.820 7.164 264 HG13 VAL 42 3HG1 VAL 42 7.143 -1.096 6.809 265 HG21 VAL 42 1HG2 VAL 42 4.558 -2.891 4.121 266 HG22 VAL 42 2HG2 VAL 42 4.219 -2.532 5.814 267 HG23 VAL 42 3HG2 VAL 42 4.487 -1.217 4.670 268 H ARG 43 H ARG 43 8.109 0.643 5.635 269 HA ARG 43 HA ARG 43 10.799 -0.523 5.505 270 HB2 ARG 43 1HB ARG 43 10.777 1.689 4.639 271 HB3 ARG 43 2HB ARG 43 9.815 2.284 5.985 272 HG2 ARG 43 1HG ARG 43 12.361 2.784 5.878 273 HG3 ARG 43 2HG ARG 43 11.610 2.356 7.416 274 HD2 ARG 43 1HD ARG 43 12.555 0.257 7.448 275 HD3 ARG 43 2HD ARG 43 12.732 0.196 5.695 276 HE ARG 43 HE ARG 43 14.660 1.111 7.554 277 HH11 ARG 43 2HH1 ARG 43 13.367 1.775 4.391 278 HH12 ARG 43 1HH1 ARG 43 14.831 2.489 3.799 279 HH21 ARG 43 2HH2 ARG 43 16.593 2.048 6.787 280 HH22 ARG 43 1HH2 ARG 43 16.666 2.643 5.163 281 H GLY 44 H GLY 44 9.163 1.589 7.867 282 HA2 GLY 44 1HA GLY 44 10.149 -0.222 9.985 283 HA3 GLY 44 2HA GLY 44 10.096 1.526 10.162 284 H LEU 45 H LEU 45 8.893 -0.328 11.938 285 HA LEU 45 HA LEU 45 6.048 0.312 11.517 286 HB2 LEU 45 1HB LEU 45 7.341 -2.148 12.644 287 HB3 LEU 45 2HB LEU 45 5.678 -1.724 13.045 288 HG LEU 45 HG LEU 45 6.651 -2.140 10.224 289 HD11 LEU 45 1HD1 LEU 45 5.585 -4.078 12.240 290 HD12 LEU 45 2HD1 LEU 45 6.948 -4.252 11.135 291 HD13 LEU 45 3HD1 LEU 45 5.298 -4.317 10.516 292 HD21 LEU 45 1HD2 LEU 45 4.405 -2.091 9.599 293 HD22 LEU 45 2HD2 LEU 45 4.543 -0.779 10.770 294 HD23 LEU 45 3HD2 LEU 45 3.841 -2.324 11.253 295 H LEU 46 H LEU 46 5.707 2.040 12.782 296 HA LEU 46 HA LEU 46 7.057 2.756 15.089 297 HB2 LEU 46 1HB LEU 46 5.286 4.012 13.641 298 HB3 LEU 46 2HB LEU 46 4.142 3.348 14.805 299 HG LEU 46 HG LEU 46 5.710 4.450 16.569 300 HD11 LEU 46 1HD1 LEU 46 6.700 5.537 14.014 301 HD12 LEU 46 2HD1 LEU 46 7.520 5.340 15.562 302 HD13 LEU 46 3HD1 LEU 46 6.435 6.706 15.308 303 HD21 LEU 46 1HD2 LEU 46 3.527 5.512 14.925 304 HD22 LEU 46 2HD2 LEU 46 4.483 6.739 15.757 305 HD23 LEU 46 3HD2 LEU 46 3.705 5.452 16.679 306 H LYS 47 H LYS 47 6.968 2.196 17.184 307 HA LYS 47 HA LYS 47 5.693 -0.204 17.960 308 HB2 LYS 47 1HB LYS 47 7.787 0.699 18.973 309 HB3 LYS 47 2HB LYS 47 6.828 1.952 19.749 310 HG2 LYS 47 1HG LYS 47 7.339 0.134 21.285 311 HG3 LYS 47 2HG LYS 47 5.602 0.266 21.000 312 HD2 LYS 47 1HD LYS 47 6.346 -2.069 20.985 313 HD3 LYS 47 2HD LYS 47 5.707 -1.581 19.413 314 HE2 LYS 47 1HE LYS 47 7.780 -1.608 18.414 315 HE3 LYS 47 2HE LYS 47 8.633 -1.330 19.931 316 HZ1 LYS 47 1HZ LYS 47 7.749 -3.660 20.527 317 HZ2 LYS 47 2HZ LYS 47 9.079 -3.532 19.489 318 HZ3 LYS 47 3HZ LYS 47 7.541 -3.845 18.858 319 H ASP 48 H ASP 48 4.112 -0.475 19.671 320 HA ASP 48 HA ASP 48 1.966 -0.188 20.400 321 HB2 ASP 48 1HB ASP 48 1.616 1.744 21.769 322 HB3 ASP 48 2HB ASP 48 3.313 1.300 21.920 323 H GLY 49 H GLY 49 2.432 0.308 17.558 324 HA2 GLY 49 1HA GLY 49 0.450 2.405 16.986 325 HA3 GLY 49 2HA GLY 49 1.580 1.723 15.825 326 HA PRO 50 HA PRO 50 -2.716 -0.332 15.698 327 HB2 PRO 50 1HB PRO 50 -3.658 0.851 13.444 328 HB3 PRO 50 2HB PRO 50 -3.933 1.509 15.061 329 HG2 PRO 50 1HG PRO 50 -1.901 2.306 13.012 330 HG3 PRO 50 2HG PRO 50 -2.906 3.334 14.050 331 HD2 PRO 50 1HD PRO 50 -0.310 2.800 14.604 332 HD3 PRO 50 2HD PRO 50 -1.523 3.061 15.873 333 H ALA 51 H ALA 51 -0.232 0.451 13.360 334 HA ALA 51 HA ALA 51 -0.958 -1.723 11.588 335 HB1 ALA 51 1HB ALA 51 0.186 0.615 11.060 336 HB2 ALA 51 2HB ALA 51 1.649 -0.337 11.313 337 HB3 ALA 51 3HB ALA 51 0.485 -0.821 10.080 338 H GLN 52 H GLN 52 1.401 -1.052 14.094 339 HA GLN 52 HA GLN 52 2.894 -3.473 13.586 340 HB2 GLN 52 1HB GLN 52 4.145 -1.599 14.390 341 HB3 GLN 52 2HB GLN 52 3.055 -1.380 15.752 342 HG2 GLN 52 1HG GLN 52 5.036 -2.366 16.586 343 HG3 GLN 52 2HG GLN 52 3.789 -3.613 16.594 344 HE21 GLN 52 1HE2 GLN 52 6.929 -3.027 15.903 345 HE22 GLN 52 2HE2 GLN 52 7.222 -4.287 14.758 346 H ARG 53 H ARG 53 0.253 -2.455 15.578 347 HA ARG 53 HA ARG 53 0.449 -4.687 17.399 348 HB2 ARG 53 1HB ARG 53 -1.436 -2.393 17.035 349 HB3 ARG 53 2HB ARG 53 -1.951 -3.781 17.983 350 HG2 ARG 53 1HG ARG 53 0.112 -3.482 19.373 351 HG3 ARG 53 2HG ARG 53 0.385 -1.966 18.512 352 HD2 ARG 53 1HD ARG 53 -1.681 -1.063 19.318 353 HD3 ARG 53 2HD ARG 53 -2.148 -2.618 20.006 354 HE ARG 53 HE ARG 53 0.305 -1.499 21.050 355 HH11 ARG 53 2HH1 ARG 53 -3.149 -1.771 21.395 356 HH12 ARG 53 1HH1 ARG 53 -3.142 -1.373 23.081 357 HH21 ARG 53 2HH2 ARG 53 0.326 -0.974 23.269 358 HH22 ARG 53 1HH2 ARG 53 -1.165 -0.919 24.146 359 H CYS 54 H CYS 54 -1.712 -3.699 14.757 360 HA CYS 54 HA CYS 54 -3.488 -5.825 14.831 361 HB2 CYS 54 1HB CYS 54 -3.988 -5.311 12.502 362 HB3 CYS 54 2HB CYS 54 -3.778 -3.822 13.416 363 HG CYS 54 HG CYS 54 -0.941 -4.836 12.007 364 H GLY 55 H GLY 55 -0.225 -5.679 13.601 365 HA2 GLY 55 1HA GLY 55 1.194 -7.326 12.864 366 HA3 GLY 55 2HA GLY 55 0.095 -8.477 13.610 367 H ARG 56 H ARG 56 -0.095 -6.256 10.823 368 HA ARG 56 HA ARG 56 -0.885 -8.568 9.177 369 HB2 ARG 56 1HB ARG 56 -1.945 -5.750 8.907 370 HB3 ARG 56 2HB ARG 56 -2.426 -7.145 7.951 371 HG2 ARG 56 1HG ARG 56 -3.250 -8.200 10.065 372 HG3 ARG 56 2HG ARG 56 -2.944 -6.662 10.873 373 HD2 ARG 56 1HD ARG 56 -4.493 -5.540 9.379 374 HD3 ARG 56 2HD ARG 56 -4.754 -7.041 8.490 375 HE ARG 56 HE ARG 56 -5.932 -6.284 11.000 376 HH11 ARG 56 2HH1 ARG 56 -5.036 -8.947 8.944 377 HH12 ARG 56 1HH1 ARG 56 -6.194 -10.037 9.631 378 HH21 ARG 56 2HH2 ARG 56 -7.460 -7.710 11.913 379 HH22 ARG 56 1HH2 ARG 56 -7.573 -9.333 11.320 380 H LEU 57 H LEU 57 0.604 -5.363 9.237 381 HA LEU 57 HA LEU 57 1.861 -5.918 6.643 382 HB2 LEU 57 1HB LEU 57 1.142 -3.451 8.124 383 HB3 LEU 57 2HB LEU 57 2.578 -3.396 7.103 384 HG LEU 57 HG LEU 57 -0.068 -4.310 6.021 385 HD11 LEU 57 1HD1 LEU 57 0.653 -1.554 5.427 386 HD12 LEU 57 2HD1 LEU 57 0.273 -1.819 7.128 387 HD13 LEU 57 3HD1 LEU 57 -0.903 -2.247 5.886 388 HD21 LEU 57 1HD2 LEU 57 1.342 -2.931 4.099 389 HD22 LEU 57 2HD2 LEU 57 1.265 -4.685 4.272 390 HD23 LEU 57 3HD2 LEU 57 2.601 -3.785 4.991 391 H GLU 58 H GLU 58 3.835 -6.745 6.700 392 HA GLU 58 HA GLU 58 5.580 -6.071 8.975 393 HB2 GLU 58 1HB GLU 58 5.404 -8.537 7.256 394 HB3 GLU 58 2HB GLU 58 6.819 -8.193 8.242 395 HG2 GLU 58 1HG GLU 58 5.358 -8.120 10.236 396 HG3 GLU 58 2HG GLU 58 4.001 -8.596 9.216 397 H VAL 59 H VAL 59 7.876 -5.871 8.524 398 HA VAL 59 HA VAL 59 8.434 -4.101 6.433 399 HB VAL 59 HB VAL 59 10.434 -5.804 7.924 400 HG11 VAL 59 1HG1 VAL 59 11.448 -3.248 7.348 401 HG12 VAL 59 2HG1 VAL 59 11.949 -4.792 6.654 402 HG13 VAL 59 3HG1 VAL 59 10.699 -3.831 5.862 403 HG21 VAL 59 1HG2 VAL 59 8.726 -4.319 9.231 404 HG22 VAL 59 2HG2 VAL 59 10.435 -4.295 9.665 405 HG23 VAL 59 3HG2 VAL 59 9.757 -2.998 8.681 406 H GLY 60 H GLY 60 8.671 -4.450 4.330 407 HA2 GLY 60 1HA GLY 60 10.099 -5.634 2.668 408 HA3 GLY 60 2HA GLY 60 9.593 -7.120 3.459 409 H ASP 61 H ASP 61 6.829 -6.041 3.785 410 HA ASP 61 HA ASP 61 5.541 -7.256 1.718 411 HB2 ASP 61 1HB ASP 61 4.783 -5.053 3.575 412 HB3 ASP 61 2HB ASP 61 3.719 -5.372 2.208 413 H LEU 62 H LEU 62 4.730 -6.693 -0.283 414 HA LEU 62 HA LEU 62 5.956 -4.311 -1.493 415 HB2 LEU 62 1HB LEU 62 4.795 -6.702 -2.907 416 HB3 LEU 62 2HB LEU 62 5.777 -5.417 -3.608 417 HG LEU 62 HG LEU 62 6.841 -7.297 -1.515 418 HD11 LEU 62 1HD1 LEU 62 7.828 -8.593 -3.332 419 HD12 LEU 62 2HD1 LEU 62 6.971 -7.603 -4.512 420 HD13 LEU 62 3HD1 LEU 62 6.066 -8.632 -3.402 421 HD21 LEU 62 1HD2 LEU 62 8.737 -6.342 -3.418 422 HD22 LEU 62 2HD2 LEU 62 8.677 -6.065 -1.677 423 HD23 LEU 62 3HD2 LEU 62 7.832 -4.972 -2.774 424 H VAL 63 H VAL 63 4.669 -2.634 -1.818 425 HA VAL 63 HA VAL 63 1.785 -2.961 -1.788 426 HB VAL 63 HB VAL 63 3.332 -0.396 -2.149 427 HG11 VAL 63 1HG1 VAL 63 1.182 0.437 -0.958 428 HG12 VAL 63 2HG1 VAL 63 1.126 0.065 -2.682 429 HG13 VAL 63 3HG1 VAL 63 0.494 -1.090 -1.508 430 HG21 VAL 63 1HG2 VAL 63 3.546 -2.037 0.034 431 HG22 VAL 63 2HG2 VAL 63 3.819 -0.295 0.034 432 HG23 VAL 63 3HG2 VAL 63 2.248 -0.941 0.507 433 H LEU 64 H LEU 64 0.516 -3.007 -3.527 434 HA LEU 64 HA LEU 64 1.715 -2.347 -6.133 435 HB2 LEU 64 1HB LEU 64 -0.611 -4.160 -5.506 436 HB3 LEU 64 2HB LEU 64 0.044 -3.843 -7.111 437 HG LEU 64 HG LEU 64 1.660 -5.119 -4.915 438 HD11 LEU 64 1HD1 LEU 64 -0.157 -6.377 -6.949 439 HD12 LEU 64 2HD1 LEU 64 -0.122 -6.625 -5.204 440 HD13 LEU 64 3HD1 LEU 64 1.186 -7.248 -6.209 441 HD21 LEU 64 1HD2 LEU 64 2.683 -4.005 -7.011 442 HD22 LEU 64 2HD2 LEU 64 2.044 -5.406 -7.871 443 HD23 LEU 64 3HD2 LEU 64 3.210 -5.628 -6.565 444 H HIS 65 H HIS 65 -1.169 -1.988 -4.131 445 HA HIS 65 HA HIS 65 -1.855 0.419 -5.637 446 HB2 HIS 65 1HB HIS 65 -3.842 -1.789 -5.060 447 HB3 HIS 65 2HB HIS 65 -4.226 -0.225 -5.772 448 HD1 HIS 65 1HD HIS 65 -2.093 0.019 -7.909 449 HD2 HIS 65 2HD HIS 65 -4.139 -3.511 -7.129 450 HE1 HIS 65 1HE HIS 65 -1.928 -1.334 -10.023 451 HE2 HIS 65 2HE HIS 65 -3.246 -3.429 -9.555 452 H ILE 66 H ILE 66 -3.420 1.790 -4.497 453 HA ILE 66 HA ILE 66 -3.625 1.247 -1.622 454 HB ILE 66 HB ILE 66 -2.691 3.892 -2.742 455 HG12 ILE 66 1HG1 ILE 66 -1.037 2.108 -0.988 456 HG13 ILE 66 2HG1 ILE 66 -1.090 1.818 -2.724 457 HG21 ILE 66 1HG2 ILE 66 -2.360 3.339 0.109 458 HG22 ILE 66 2HG2 ILE 66 -2.962 4.782 -0.706 459 HG23 ILE 66 3HG2 ILE 66 -4.042 3.418 -0.416 460 HD11 ILE 66 1HD1 ILE 66 0.799 3.262 -1.790 461 HD12 ILE 66 2HD1 ILE 66 -0.065 3.847 -3.212 462 HD13 ILE 66 3HD1 ILE 66 -0.426 4.519 -1.622 463 H ASN 67 H ASN 67 -5.533 1.810 -0.747 464 HA ASN 67 HA ASN 67 -7.743 2.372 -0.686 465 HB2 ASN 67 1HB ASN 67 -6.335 4.800 -1.705 466 HB3 ASN 67 2HB ASN 67 -8.096 4.800 -1.697 467 HD21 ASN 67 1HD2 ASN 67 -5.219 4.819 0.217 468 HD22 ASN 67 2HD2 ASN 67 -5.980 5.134 1.736 469 H GLY 68 H GLY 68 -7.098 0.721 -2.855 470 HA2 GLY 68 1HA GLY 68 -8.067 -0.092 -4.771 471 HA3 GLY 68 2HA GLY 68 -9.393 1.020 -4.465 472 H GLU 69 H GLU 69 -6.204 2.310 -4.779 473 HA GLU 69 HA GLU 69 -6.938 3.365 -7.429 474 HB2 GLU 69 1HB GLU 69 -5.165 4.560 -5.293 475 HB3 GLU 69 2HB GLU 69 -5.393 5.246 -6.896 476 HG2 GLU 69 1HG GLU 69 -7.645 4.776 -4.963 477 HG3 GLU 69 2HG GLU 69 -6.748 6.290 -5.070 478 H SER 70 H SER 70 -5.122 3.815 -8.900 479 HA SER 70 HA SER 70 -3.222 1.602 -8.831 480 HB2 SER 70 1HB SER 70 -4.286 1.721 -10.924 481 HB3 SER 70 2HB SER 70 -4.167 3.479 -10.986 482 HG SER 70 HG SER 70 -2.596 2.717 -12.324 483 H THR 71 H THR 71 -1.259 1.902 -8.041 484 HA THR 71 HA THR 71 -0.209 4.557 -7.617 485 HB THR 71 HB THR 71 0.075 2.647 -5.983 486 HG1 THR 71 1HG THR 71 2.542 3.774 -6.838 487 HG21 THR 71 1HG2 THR 71 1.632 0.943 -6.358 488 HG22 THR 71 2HG2 THR 71 2.358 1.782 -7.729 489 HG23 THR 71 3HG2 THR 71 0.761 1.052 -7.887 490 H GLN 72 H GLN 72 -0.277 2.570 -10.235 491 HA GLN 72 HA GLN 72 2.282 2.463 -11.260 492 HB2 GLN 72 1HB GLN 72 0.274 1.424 -12.291 493 HB3 GLN 72 2HB GLN 72 -0.237 3.017 -12.835 494 HG2 GLN 72 1HG GLN 72 2.378 1.758 -13.614 495 HG3 GLN 72 2HG GLN 72 0.897 1.603 -14.557 496 HE21 GLN 72 1HE2 GLN 72 3.333 2.764 -15.440 497 HE22 GLN 72 2HE2 GLN 72 3.021 4.425 -15.795 498 H GLY 73 H GLY 73 0.126 5.194 -11.001 499 HA2 GLY 73 1HA GLY 73 2.122 6.858 -12.406 500 HA3 GLY 73 2HA GLY 73 0.407 7.234 -12.321 501 H LEU 74 H LEU 74 1.327 6.025 -9.377 502 HA LEU 74 HA LEU 74 1.658 8.742 -8.298 503 HB2 LEU 74 1HB LEU 74 0.737 6.263 -6.855 504 HB3 LEU 74 2HB LEU 74 0.751 7.908 -6.224 505 HG LEU 74 HG LEU 74 -0.995 6.898 -8.469 506 HD11 LEU 74 1HD1 LEU 74 -1.316 6.343 -5.849 507 HD12 LEU 74 2HD1 LEU 74 -2.648 6.537 -6.988 508 HD13 LEU 74 3HD1 LEU 74 -2.167 7.885 -5.958 509 HD21 LEU 74 1HD2 LEU 74 -0.232 9.548 -7.654 510 HD22 LEU 74 2HD2 LEU 74 -1.963 9.305 -7.423 511 HD23 LEU 74 3HD2 LEU 74 -1.238 9.038 -9.009 512 H THR 75 H THR 75 3.623 9.257 -7.631 513 HA THR 75 HA THR 75 5.665 7.268 -7.280 514 HB THR 75 HB THR 75 7.060 9.290 -6.575 515 HG1 THR 75 1HG THR 75 5.816 10.953 -6.110 516 HG21 THR 75 1HG2 THR 75 6.982 8.296 -8.875 517 HG22 THR 75 2HG2 THR 75 7.369 10.016 -8.838 518 HG23 THR 75 3HG2 THR 75 5.748 9.486 -9.285 519 H HIS 76 H HIS 76 7.151 7.490 -5.303 520 HA HIS 76 HA HIS 76 6.035 6.479 -3.067 521 HB2 HIS 76 1HB HIS 76 8.355 6.492 -3.030 522 HB3 HIS 76 2HB HIS 76 8.456 8.198 -3.454 523 HD1 HIS 76 1HD HIS 76 9.464 9.419 -1.566 524 HD2 HIS 76 2HD HIS 76 6.875 6.444 -0.261 525 HE1 HIS 76 1HE HIS 76 9.438 9.603 0.942 526 HE2 HIS 76 2HE HIS 76 7.930 7.739 1.713 527 H ALA 77 H ALA 77 6.456 9.942 -3.725 528 HA ALA 77 HA ALA 77 5.344 10.844 -1.286 529 HB1 ALA 77 1HB ALA 77 5.286 13.023 -2.299 530 HB2 ALA 77 2HB ALA 77 6.780 12.214 -2.775 531 HB3 ALA 77 3HB ALA 77 5.436 12.322 -3.911 532 H GLN 78 H GLN 78 3.945 10.550 -4.549 533 HA GLN 78 HA GLN 78 1.396 11.483 -3.991 534 HB2 GLN 78 1HB GLN 78 2.290 9.357 -5.942 535 HB3 GLN 78 2HB GLN 78 0.669 10.039 -5.916 536 HG2 GLN 78 1HG GLN 78 3.238 11.504 -6.468 537 HG3 GLN 78 2HG GLN 78 1.964 11.116 -7.623 538 HE21 GLN 78 1HE2 GLN 78 2.929 13.158 -4.992 539 HE22 GLN 78 2HE2 GLN 78 1.663 14.322 -5.160 540 H ALA 79 H ALA 79 2.526 8.102 -3.945 541 HA ALA 79 HA ALA 79 0.180 6.890 -3.115 542 HB1 ALA 79 1HB ALA 79 3.059 6.176 -2.642 543 HB2 ALA 79 2HB ALA 79 1.733 5.155 -2.084 544 HB3 ALA 79 3HB ALA 79 1.929 5.484 -3.806 545 H VAL 80 H VAL 80 2.892 7.886 -1.014 546 HA VAL 80 HA VAL 80 1.820 7.318 1.439 547 HB VAL 80 HB VAL 80 3.475 9.746 0.736 548 HG11 VAL 80 1HG1 VAL 80 4.008 8.816 3.347 549 HG12 VAL 80 2HG1 VAL 80 3.289 10.353 2.863 550 HG13 VAL 80 3HG1 VAL 80 2.257 8.961 3.195 551 HG21 VAL 80 1HG2 VAL 80 4.184 7.163 0.378 552 HG22 VAL 80 2HG2 VAL 80 5.322 8.454 0.763 553 HG23 VAL 80 3HG2 VAL 80 4.703 7.413 2.045 554 H GLU 81 H GLU 81 1.227 10.179 -0.553 555 HA GLU 81 HA GLU 81 -0.250 11.668 1.294 556 HB2 GLU 81 1HB GLU 81 0.625 12.455 -0.936 557 HB3 GLU 81 2HB GLU 81 -0.720 11.608 -1.687 558 HG2 GLU 81 1HG GLU 81 -2.159 13.032 -0.042 559 HG3 GLU 81 2HG GLU 81 -0.731 14.064 -0.005 560 H ARG 82 H ARG 82 -1.408 9.438 -1.233 561 HA ARG 82 HA ARG 82 -4.119 9.607 -0.778 562 HB2 ARG 82 1HB ARG 82 -2.564 7.111 -1.481 563 HB3 ARG 82 2HB ARG 82 -4.288 7.353 -1.728 564 HG2 ARG 82 1HG ARG 82 -2.192 9.089 -3.003 565 HG3 ARG 82 2HG ARG 82 -2.833 7.628 -3.759 566 HD2 ARG 82 1HD ARG 82 -4.348 10.115 -2.988 567 HD3 ARG 82 2HD ARG 82 -4.044 9.506 -4.614 568 HE ARG 82 HE ARG 82 -5.401 7.480 -3.471 569 HH11 ARG 82 2HH1 ARG 82 -6.003 10.902 -3.682 570 HH12 ARG 82 1HH1 ARG 82 -7.727 10.733 -3.659 571 HH21 ARG 82 2HH2 ARG 82 -7.670 7.244 -3.439 572 HH22 ARG 82 1HH2 ARG 82 -8.674 8.651 -3.520 573 H ILE 83 H ILE 83 -1.681 8.033 1.137 574 HA ILE 83 HA ILE 83 -3.401 6.361 2.651 575 HB ILE 83 HB ILE 83 -0.846 7.463 3.761 576 HG12 ILE 83 1HG1 ILE 83 -0.173 6.954 1.541 577 HG13 ILE 83 2HG1 ILE 83 0.297 5.564 2.513 578 HG21 ILE 83 1HG2 ILE 83 -1.935 4.661 3.830 579 HG22 ILE 83 2HG2 ILE 83 -0.679 5.367 4.846 580 HG23 ILE 83 3HG2 ILE 83 -2.354 5.886 5.028 581 HD11 ILE 83 1HD1 ILE 83 -0.784 5.127 0.250 582 HD12 ILE 83 2HD1 ILE 83 -1.407 4.235 1.638 583 HD13 ILE 83 3HD1 ILE 83 -2.293 5.625 1.014 584 H ARG 84 H ARG 84 -1.623 9.233 3.796 585 HA ARG 84 HA ARG 84 -3.058 9.630 6.123 586 HB2 ARG 84 1HB ARG 84 -1.670 11.627 4.335 587 HB3 ARG 84 2HB ARG 84 -2.323 12.040 5.915 588 HG2 ARG 84 1HG ARG 84 -0.320 9.837 5.538 589 HG3 ARG 84 2HG ARG 84 0.154 11.518 5.787 590 HD2 ARG 84 1HD ARG 84 -1.656 9.996 7.653 591 HD3 ARG 84 2HD ARG 84 0.092 10.103 7.861 592 HE ARG 84 HE ARG 84 -0.850 12.699 7.627 593 HH11 ARG 84 2HH1 ARG 84 -1.237 9.998 9.789 594 HH12 ARG 84 1HH1 ARG 84 -1.535 10.986 11.180 595 HH21 ARG 84 2HH2 ARG 84 -1.241 14.011 9.451 596 HH22 ARG 84 1HH2 ARG 84 -1.538 13.269 10.987 597 H ALA 85 H ALA 85 -3.671 10.996 2.904 598 HA ALA 85 HA ALA 85 -5.950 12.500 3.691 599 HB1 ALA 85 1HB ALA 85 -4.961 13.278 1.747 600 HB2 ALA 85 2HB ALA 85 -4.803 11.661 1.058 601 HB3 ALA 85 3HB ALA 85 -6.386 12.433 1.141 602 H GLY 86 H GLY 86 -5.447 9.188 2.788 603 HA2 GLY 86 1HA GLY 86 -7.818 8.317 1.789 604 HA3 GLY 86 2HA GLY 86 -6.892 7.396 2.965 605 H GLY 87 H GLY 87 -7.250 9.450 5.052 606 HA2 GLY 87 1HA GLY 87 -9.180 10.409 6.209 607 HA3 GLY 87 2HA GLY 87 -10.130 9.069 5.586 608 HA PRO 88 HA PRO 88 -9.023 7.978 9.914 609 HB2 PRO 88 1HB PRO 88 -11.418 6.822 10.461 610 HB3 PRO 88 2HB PRO 88 -11.132 8.560 10.615 611 HG2 PRO 88 1HG PRO 88 -12.434 7.045 8.386 612 HG3 PRO 88 2HG PRO 88 -12.927 8.574 9.136 613 HD2 PRO 88 1HD PRO 88 -11.609 8.469 6.773 614 HD3 PRO 88 2HD PRO 88 -11.403 9.806 7.923 615 H GLN 89 H GLN 89 -10.292 6.184 7.206 616 HA GLN 89 HA GLN 89 -9.308 3.678 8.392 617 HB2 GLN 89 1HB GLN 89 -11.381 4.227 6.278 618 HB3 GLN 89 2HB GLN 89 -10.681 2.629 6.499 619 HG2 GLN 89 1HG GLN 89 -11.629 2.372 8.611 620 HG3 GLN 89 2HG GLN 89 -11.939 4.099 8.782 621 HE21 GLN 89 1HE2 GLN 89 -14.043 2.908 9.407 622 HE22 GLN 89 2HE2 GLN 89 -15.210 2.764 8.141 623 H LEU 90 H LEU 90 -7.561 2.733 7.560 624 HA LEU 90 HA LEU 90 -6.398 3.872 5.127 625 HB2 LEU 90 1HB LEU 90 -4.754 3.914 6.718 626 HB3 LEU 90 2HB LEU 90 -5.328 2.444 7.504 627 HG LEU 90 HG LEU 90 -4.106 2.225 4.795 628 HD11 LEU 90 1HD1 LEU 90 -2.767 3.531 6.875 629 HD12 LEU 90 2HD1 LEU 90 -2.073 2.882 5.390 630 HD13 LEU 90 3HD1 LEU 90 -2.123 1.889 6.846 631 HD21 LEU 90 1HD2 LEU 90 -3.448 0.388 6.997 632 HD22 LEU 90 2HD2 LEU 90 -3.897 0.047 5.326 633 HD23 LEU 90 3HD2 LEU 90 -5.145 0.420 6.517 634 H HIS 91 H HIS 91 -5.937 2.676 3.329 635 HA HIS 91 HA HIS 91 -6.542 -0.190 3.367 636 HB2 HIS 91 1HB HIS 91 -8.545 1.189 2.586 637 HB3 HIS 91 2HB HIS 91 -7.581 1.597 1.171 638 HD1 HIS 91 1HD HIS 91 -7.328 -0.178 -0.633 639 HD2 HIS 91 2HD HIS 91 -9.350 -1.533 2.733 640 HE1 HIS 91 1HE HIS 91 -8.296 -2.406 -1.282 641 HE2 HIS 91 2HE HIS 91 -9.587 -3.167 0.742 642 H LEU 92 H LEU 92 -4.720 -1.129 2.732 643 HA LEU 92 HA LEU 92 -3.301 0.000 0.413 644 HB2 LEU 92 1HB LEU 92 -1.910 -1.441 2.647 645 HB3 LEU 92 2HB LEU 92 -1.203 -0.451 1.372 646 HG LEU 92 HG LEU 92 -2.921 0.644 3.595 647 HD11 LEU 92 1HD1 LEU 92 0.065 0.363 3.374 648 HD12 LEU 92 2HD1 LEU 92 -0.994 -0.219 4.658 649 HD13 LEU 92 3HD1 LEU 92 -0.719 1.511 4.460 650 HD21 LEU 92 1HD2 LEU 92 -1.094 1.984 1.603 651 HD22 LEU 92 2HD2 LEU 92 -1.994 2.788 2.889 652 HD23 LEU 92 3HD2 LEU 92 -2.857 2.004 1.565 653 H VAL 93 H VAL 93 -2.844 -1.389 -1.189 654 HA VAL 93 HA VAL 93 -3.701 -4.162 -0.863 655 HB VAL 93 HB VAL 93 -2.784 -2.898 -3.436 656 HG11 VAL 93 1HG1 VAL 93 -3.018 -5.135 -3.859 657 HG12 VAL 93 2HG1 VAL 93 -4.277 -5.347 -2.641 658 HG13 VAL 93 3HG1 VAL 93 -4.661 -4.585 -4.185 659 HG21 VAL 93 1HG2 VAL 93 -5.350 -2.615 -3.765 660 HG22 VAL 93 2HG2 VAL 93 -5.390 -2.592 -2.002 661 HG23 VAL 93 3HG2 VAL 93 -4.444 -1.389 -2.878 662 H ILE 94 H ILE 94 -2.247 -5.643 -0.334 663 HA ILE 94 HA ILE 94 0.501 -5.348 -1.359 664 HB ILE 94 HB ILE 94 -0.318 -6.553 1.287 665 HG12 ILE 94 1HG1 ILE 94 -0.431 -4.036 1.106 666 HG13 ILE 94 2HG1 ILE 94 0.674 -4.647 2.333 667 HG21 ILE 94 1HG2 ILE 94 2.360 -6.242 -0.049 668 HG22 ILE 94 2HG2 ILE 94 2.168 -6.577 1.671 669 HG23 ILE 94 3HG2 ILE 94 1.576 -7.732 0.476 670 HD11 ILE 94 1HD1 ILE 94 2.411 -3.649 1.383 671 HD12 ILE 94 2HD1 ILE 94 1.988 -4.263 -0.216 672 HD13 ILE 94 3HD1 ILE 94 1.243 -2.783 0.386 673 H ARG 95 H ARG 95 1.610 -7.262 -1.913 674 HA ARG 95 HA ARG 95 -0.042 -9.686 -2.106 675 HB2 ARG 95 1HB ARG 95 -0.180 -8.802 -4.295 676 HB3 ARG 95 2HB ARG 95 1.514 -8.333 -4.299 677 HG2 ARG 95 1HG ARG 95 2.050 -10.809 -4.176 678 HG3 ARG 95 2HG ARG 95 0.347 -11.085 -4.547 679 HD2 ARG 95 1HD ARG 95 1.391 -11.152 -6.631 680 HD3 ARG 95 2HD ARG 95 0.733 -9.519 -6.541 681 HE ARG 95 HE ARG 95 2.874 -8.682 -6.504 682 HH11 ARG 95 2HH1 ARG 95 2.950 -12.129 -6.015 683 HH12 ARG 95 1HH1 ARG 95 4.670 -12.246 -6.185 684 HH21 ARG 95 2HH2 ARG 95 5.139 -8.824 -6.730 685 HH22 ARG 95 1HH2 ARG 95 5.914 -10.365 -6.591 686 H ARG 96 H ARG 96 0.978 -10.988 -0.701 687 HA ARG 96 HA ARG 96 3.632 -10.970 0.043 688 HB2 ARG 96 1HB ARG 96 1.913 -12.246 1.230 689 HB3 ARG 96 2HB ARG 96 1.783 -13.356 -0.128 690 HG2 ARG 96 1HG ARG 96 4.375 -13.641 0.337 691 HG3 ARG 96 2HG ARG 96 3.879 -13.137 1.954 692 HD2 ARG 96 1HD ARG 96 3.750 -15.486 1.966 693 HD3 ARG 96 2HD ARG 96 2.086 -14.927 1.799 694 HE ARG 96 HE ARG 96 2.024 -15.806 -0.334 695 HH11 ARG 96 2HH1 ARG 96 5.270 -15.915 0.919 696 HH12 ARG 96 1HH1 ARG 96 5.862 -16.944 -0.343 697 HH21 ARG 96 2HH2 ARG 96 2.792 -17.161 -2.001 698 HH22 ARG 96 1HH2 ARG 96 4.452 -17.652 -2.004 699 HA PRO 97 HA PRO 97 5.396 -12.270 -3.891 700 HB2 PRO 97 1HB PRO 97 7.954 -11.694 -3.187 701 HB3 PRO 97 2HB PRO 97 6.804 -10.462 -3.722 702 HG2 PRO 97 1HG PRO 97 7.633 -11.202 -0.942 703 HG3 PRO 97 2HG PRO 97 7.396 -9.593 -1.648 704 HD2 PRO 97 1HD PRO 97 5.539 -10.781 -0.075 705 HD3 PRO 97 2HD PRO 97 5.106 -9.684 -1.401 706 H LEU 98 H LEU 98 6.911 -13.921 -4.529 707 HA LEU 98 HA LEU 98 6.680 -16.355 -3.449 708 HB2 LEU 98 1HB LEU 98 7.974 -15.634 -5.527 709 HB3 LEU 98 2HB LEU 98 9.362 -15.452 -4.456 710 HG LEU 98 HG LEU 98 8.834 -17.938 -3.832 711 HD11 LEU 98 1HD1 LEU 98 6.776 -17.571 -5.566 712 HD12 LEU 98 2HD1 LEU 98 7.482 -19.134 -5.160 713 HD13 LEU 98 3HD1 LEU 98 7.996 -18.287 -6.618 714 HD21 LEU 98 1HD2 LEU 98 9.998 -18.240 -6.373 715 HD22 LEU 98 2HD2 LEU 98 10.815 -18.096 -4.817 716 HD23 LEU 98 3HD2 LEU 98 10.491 -16.654 -5.780 717 H SER 99 H SER 99 9.556 -14.364 -2.733 718 HA SER 99 HA SER 99 10.634 -15.910 -0.731 719 HB2 SER 99 1HB SER 99 11.611 -13.810 -1.791 720 HB3 SER 99 2HB SER 99 10.640 -12.891 -0.641 721 HG SER 99 HG SER 99 12.438 -13.158 0.483 722 H GLY 100 H GLY 100 9.998 -16.504 1.232 723 HA2 GLY 100 1HA GLY 100 8.392 -14.709 2.866 724 HA3 GLY 100 2HA GLY 100 7.620 -16.220 2.407 725 HA PRO 101 HA PRO 101 11.392 -17.162 5.341 726 HB2 PRO 101 1HB PRO 101 12.050 -15.101 6.982 727 HB3 PRO 101 2HB PRO 101 12.822 -15.365 5.414 728 HG2 PRO 101 1HG PRO 101 10.619 -13.475 6.147 729 HG3 PRO 101 2HG PRO 101 12.038 -13.195 5.120 730 HD2 PRO 101 1HD PRO 101 9.580 -13.701 4.102 731 HD3 PRO 101 2HD PRO 101 11.073 -14.217 3.293 732 H SER 102 H SER 102 8.474 -15.508 5.932 733 HA SER 102 HA SER 102 8.342 -16.287 8.738 734 HB2 SER 102 1HB SER 102 6.276 -15.026 8.820 735 HB3 SER 102 2HB SER 102 7.495 -14.058 7.990 736 HG SER 102 HG SER 102 5.121 -14.738 7.099 737 H SER 103 H SER 103 7.675 -18.247 9.271 738 HA SER 103 HA SER 103 6.362 -19.975 7.408 739 HB2 SER 103 1HB SER 103 6.440 -21.636 9.171 740 HB3 SER 103 2HB SER 103 7.979 -20.775 9.133 741 HG SER 103 HG SER 103 5.909 -19.911 10.832 742 H GLY 104 H GLY 104 4.267 -20.771 7.451 743 HA2 GLY 104 1HA GLY 104 1.987 -20.567 7.660 744 HA3 GLY 104 2HA GLY 104 2.328 -20.424 9.378 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -20.320 -29.243 -0.980 2 HA2 GLY 1 1HA GLY 1 -18.528 -29.450 1.206 3 HA3 GLY 1 2HA GLY 1 -18.515 -28.193 -0.023 4 H SER 2 H SER 2 -18.039 -26.576 1.481 5 HA SER 2 HA SER 2 -20.359 -25.708 3.046 6 HB2 SER 2 1HB SER 2 -18.971 -25.161 4.975 7 HB3 SER 2 2HB SER 2 -18.813 -26.876 4.596 8 HG SER 2 HG SER 2 -16.883 -25.118 4.821 9 H SER 3 H SER 3 -20.123 -23.409 3.770 10 HA SER 3 HA SER 3 -19.953 -21.621 1.795 11 HB2 SER 3 1HB SER 3 -20.488 -21.205 4.267 12 HB3 SER 3 2HB SER 3 -18.760 -20.926 4.477 13 HG SER 3 HG SER 3 -18.876 -19.176 3.154 14 H GLY 4 H GLY 4 -18.479 -20.734 0.481 15 HA2 GLY 4 1HA GLY 4 -15.754 -21.679 0.615 16 HA3 GLY 4 2HA GLY 4 -16.446 -20.657 -0.636 17 H SER 5 H SER 5 -13.909 -20.506 0.965 18 HA SER 5 HA SER 5 -14.067 -18.335 2.758 19 HB2 SER 5 1HB SER 5 -11.820 -19.612 1.224 20 HB3 SER 5 2HB SER 5 -11.541 -18.147 2.166 21 HG SER 5 HG SER 5 -12.735 -19.528 3.866 22 H SER 6 H SER 6 -14.962 -16.469 2.108 23 HA SER 6 HA SER 6 -15.164 -15.362 -0.361 24 HB2 SER 6 1HB SER 6 -14.760 -13.979 2.295 25 HB3 SER 6 2HB SER 6 -15.165 -13.111 0.814 26 HG SER 6 HG SER 6 -16.707 -14.945 2.285 27 H GLY 7 H GLY 7 -13.739 -14.846 -1.875 28 HA2 GLY 7 1HA GLY 7 -11.938 -13.448 -2.629 29 HA3 GLY 7 2HA GLY 7 -11.185 -13.635 -1.053 30 H GLN 8 H GLN 8 -9.234 -14.442 -1.660 31 HA GLN 8 HA GLN 8 -9.243 -17.170 -2.692 32 HB2 GLN 8 1HB GLN 8 -7.777 -14.864 -3.963 33 HB3 GLN 8 2HB GLN 8 -7.291 -16.536 -4.208 34 HG2 GLN 8 1HG GLN 8 -9.586 -17.000 -5.064 35 HG3 GLN 8 2HG GLN 8 -9.907 -15.269 -4.976 36 HE21 GLN 8 1HE2 GLN 8 -10.085 -14.759 -7.073 37 HE22 GLN 8 2HE2 GLN 8 -8.843 -14.987 -8.252 38 H ALA 9 H ALA 9 -7.222 -18.299 -2.328 39 HA ALA 9 HA ALA 9 -6.084 -17.635 0.212 40 HB1 ALA 9 1HB ALA 9 -4.729 -19.700 -1.371 41 HB2 ALA 9 2HB ALA 9 -5.394 -19.770 0.262 42 HB3 ALA 9 3HB ALA 9 -6.457 -19.964 -1.132 43 H SER 10 H SER 10 -4.899 -17.662 -3.129 44 HA SER 10 HA SER 10 -2.511 -16.196 -2.214 45 HB2 SER 10 1HB SER 10 -1.449 -17.029 -4.342 46 HB3 SER 10 2HB SER 10 -1.836 -18.293 -3.174 47 HG SER 10 HG SER 10 -2.552 -18.977 -5.161 48 H GLY 11 H GLY 11 -3.534 -14.165 -2.339 49 HA2 GLY 11 1HA GLY 11 -3.455 -12.998 -4.973 50 HA3 GLY 11 2HA GLY 11 -5.074 -13.075 -4.295 51 H HIS 12 H HIS 12 -3.978 -10.652 -4.933 52 HA HIS 12 HA HIS 12 -2.558 -9.340 -2.920 53 HB2 HIS 12 1HB HIS 12 -4.657 -7.845 -4.423 54 HB3 HIS 12 2HB HIS 12 -2.992 -7.392 -4.072 55 HD1 HIS 12 1HD HIS 12 -4.402 -7.326 -6.929 56 HD2 HIS 12 2HD HIS 12 -1.776 -10.229 -5.535 57 HE1 HIS 12 1HE HIS 12 -3.412 -8.381 -8.986 58 HE2 HIS 12 2HE HIS 12 -1.891 -10.191 -8.119 59 H PHE 13 H PHE 13 -3.075 -8.967 -0.878 60 HA PHE 13 HA PHE 13 -5.900 -8.987 -0.096 61 HB2 PHE 13 1HB PHE 13 -4.979 -9.216 2.230 62 HB3 PHE 13 2HB PHE 13 -4.570 -10.546 1.152 63 HD1 PHE 13 1HD PHE 13 -2.274 -10.486 0.028 64 HD2 PHE 13 2HD PHE 13 -3.317 -8.070 3.374 65 HE1 PHE 13 1HE PHE 13 0.112 -10.164 0.535 66 HE2 PHE 13 2HE PHE 13 -0.933 -7.744 3.886 67 HZ PHE 13 HZ PHE 13 0.785 -8.790 2.465 68 H SER 14 H SER 14 -6.700 -7.405 1.403 69 HA SER 14 HA SER 14 -5.430 -4.788 1.008 70 HB2 SER 14 1HB SER 14 -7.696 -3.909 1.732 71 HB3 SER 14 2HB SER 14 -7.682 -4.800 0.210 72 HG SER 14 HG SER 14 -8.635 -6.508 1.188 73 H VAL 15 H VAL 15 -4.974 -3.425 2.708 74 HA VAL 15 HA VAL 15 -5.114 -4.646 5.388 75 HB VAL 15 HB VAL 15 -3.077 -2.682 4.329 76 HG11 VAL 15 1HG1 VAL 15 -3.572 -3.827 7.051 77 HG12 VAL 15 2HG1 VAL 15 -1.947 -3.345 6.557 78 HG13 VAL 15 3HG1 VAL 15 -3.251 -2.157 6.584 79 HG21 VAL 15 1HG2 VAL 15 -1.897 -5.072 5.265 80 HG22 VAL 15 2HG2 VAL 15 -3.224 -5.529 4.197 81 HG23 VAL 15 3HG2 VAL 15 -1.951 -4.458 3.612 82 H GLU 16 H GLU 16 -6.555 -3.707 6.665 83 HA GLU 16 HA GLU 16 -7.039 -0.816 6.352 84 HB2 GLU 16 1HB GLU 16 -9.275 -1.548 7.580 85 HB3 GLU 16 2HB GLU 16 -9.108 -1.639 5.832 86 HG2 GLU 16 1HG GLU 16 -9.022 -3.915 5.815 87 HG3 GLU 16 2HG GLU 16 -8.330 -4.013 7.433 88 H LEU 17 H LEU 17 -7.187 0.455 8.188 89 HA LEU 17 HA LEU 17 -6.823 -0.788 10.798 90 HB2 LEU 17 1HB LEU 17 -4.929 1.307 9.745 91 HB3 LEU 17 2HB LEU 17 -4.906 0.592 11.356 92 HG LEU 17 HG LEU 17 -4.580 -1.178 8.974 93 HD11 LEU 17 1HD1 LEU 17 -2.354 -0.683 8.649 94 HD12 LEU 17 2HD1 LEU 17 -2.190 0.112 10.214 95 HD13 LEU 17 3HD1 LEU 17 -3.043 0.921 8.899 96 HD21 LEU 17 1HD2 LEU 17 -4.828 -2.028 11.320 97 HD22 LEU 17 2HD2 LEU 17 -3.294 -1.244 11.697 98 HD23 LEU 17 3HD2 LEU 17 -3.354 -2.535 10.496 99 H VAL 18 H VAL 18 -6.771 0.994 12.540 100 HA VAL 18 HA VAL 18 -8.688 3.102 11.781 101 HB VAL 18 HB VAL 18 -8.478 1.715 14.457 102 HG11 VAL 18 1HG1 VAL 18 -10.495 2.938 15.031 103 HG12 VAL 18 2HG1 VAL 18 -9.207 4.060 14.587 104 HG13 VAL 18 3HG1 VAL 18 -10.505 3.708 13.445 105 HG21 VAL 18 1HG2 VAL 18 -10.552 0.625 13.915 106 HG22 VAL 18 2HG2 VAL 18 -10.651 1.484 12.378 107 HG23 VAL 18 3HG2 VAL 18 -9.384 0.285 12.638 108 H ARG 19 H ARG 19 -7.802 5.051 11.851 109 HA ARG 19 HA ARG 19 -5.343 5.785 12.735 110 HB2 ARG 19 1HB ARG 19 -6.751 7.284 11.443 111 HB3 ARG 19 2HB ARG 19 -7.863 7.451 12.795 112 HG2 ARG 19 1HG ARG 19 -6.464 8.842 13.957 113 HG3 ARG 19 2HG ARG 19 -5.011 8.201 13.187 114 HD2 ARG 19 1HD ARG 19 -5.479 9.372 11.162 115 HD3 ARG 19 2HD ARG 19 -7.083 9.831 11.732 116 HE ARG 19 HE ARG 19 -5.161 10.842 13.509 117 HH11 ARG 19 2HH1 ARG 19 -6.301 11.304 10.252 118 HH12 ARG 19 1HH1 ARG 19 -5.866 12.981 10.199 119 HH21 ARG 19 2HH2 ARG 19 -4.584 13.048 13.451 120 HH22 ARG 19 1HH2 ARG 19 -4.889 13.971 12.019 121 H GLY 20 H GLY 20 -4.369 5.664 14.642 122 HA2 GLY 20 1HA GLY 20 -5.932 5.423 17.074 123 HA3 GLY 20 2HA GLY 20 -4.188 5.257 16.930 124 H TYR 21 H TYR 21 -2.882 6.999 17.296 125 HA TYR 21 HA TYR 21 -4.247 9.448 18.199 126 HB2 TYR 21 1HB TYR 21 -2.953 8.087 19.907 127 HB3 TYR 21 2HB TYR 21 -1.493 8.538 19.035 128 HD1 TYR 21 2HD TYR 21 -0.975 11.028 18.791 129 HD2 TYR 21 1HD TYR 21 -3.871 9.518 21.519 130 HE1 TYR 21 2HE TYR 21 -0.854 13.124 20.071 131 HE2 TYR 21 1HE TYR 21 -3.759 11.611 22.806 132 HH TYR 21 HH TYR 21 -1.326 13.976 22.259 133 H ALA 22 H ALA 22 -1.229 8.300 16.701 134 HA ALA 22 HA ALA 22 -1.122 10.837 15.204 135 HB1 ALA 22 1HB ALA 22 1.419 9.410 15.692 136 HB2 ALA 22 2HB ALA 22 1.077 11.140 15.642 137 HB3 ALA 22 3HB ALA 22 0.679 10.204 17.082 138 H GLY 23 H GLY 23 -2.262 9.822 13.478 139 HA2 GLY 23 1HA GLY 23 -2.343 8.806 11.420 140 HA3 GLY 23 2HA GLY 23 -0.591 8.694 11.501 141 H PHE 24 H PHE 24 -0.442 6.643 10.647 142 HA PHE 24 HA PHE 24 -1.695 4.490 12.217 143 HB2 PHE 24 1HB PHE 24 -0.795 4.551 9.333 144 HB3 PHE 24 2HB PHE 24 -1.293 3.082 10.166 145 HD1 PHE 24 2HD PHE 24 -2.408 6.277 8.773 146 HD2 PHE 24 1HD PHE 24 -3.604 2.670 10.690 147 HE1 PHE 24 2HE PHE 24 -4.752 6.753 8.197 148 HE2 PHE 24 1HE PHE 24 -5.950 3.139 10.116 149 HZ PHE 24 HZ PHE 24 -6.527 5.183 8.869 150 H GLY 25 H GLY 25 1.291 5.810 11.034 151 HA2 GLY 25 1HA GLY 25 3.414 5.418 11.923 152 HA3 GLY 25 2HA GLY 25 2.771 4.030 12.787 153 H LEU 26 H LEU 26 2.134 4.344 9.401 154 HA LEU 26 HA LEU 26 3.945 2.084 8.900 155 HB2 LEU 26 1HB LEU 26 1.413 1.956 8.478 156 HB3 LEU 26 2HB LEU 26 1.736 2.975 7.077 157 HG LEU 26 HG LEU 26 3.181 1.247 6.140 158 HD11 LEU 26 1HD1 LEU 26 3.198 -1.002 7.210 159 HD12 LEU 26 2HD1 LEU 26 2.464 -0.274 8.639 160 HD13 LEU 26 3HD1 LEU 26 4.069 0.236 8.115 161 HD21 LEU 26 1HD2 LEU 26 0.342 0.907 6.696 162 HD22 LEU 26 2HD2 LEU 26 1.165 -0.612 6.341 163 HD23 LEU 26 3HD2 LEU 26 1.233 0.719 5.185 164 H THR 27 H THR 27 5.679 2.367 7.664 165 HA THR 27 HA THR 27 5.782 4.741 5.918 166 HB THR 27 HB THR 27 8.138 3.491 7.342 167 HG1 THR 27 1HG THR 27 6.386 5.576 8.036 168 HG21 THR 27 1HG2 THR 27 9.145 5.761 6.689 169 HG22 THR 27 2HG2 THR 27 7.801 5.882 5.553 170 HG23 THR 27 3HG2 THR 27 8.954 4.555 5.418 171 H LEU 28 H LEU 28 7.143 4.547 4.024 172 HA LEU 28 HA LEU 28 7.532 1.764 3.142 173 HB2 LEU 28 1HB LEU 28 6.368 4.082 1.619 174 HB3 LEU 28 2HB LEU 28 6.958 2.620 0.832 175 HG LEU 28 HG LEU 28 4.802 2.547 2.927 176 HD11 LEU 28 1HD1 LEU 28 4.654 3.462 0.147 177 HD12 LEU 28 2HD1 LEU 28 3.538 3.710 1.489 178 HD13 LEU 28 3HD1 LEU 28 3.492 2.204 0.572 179 HD21 LEU 28 1HD2 LEU 28 6.158 0.497 2.140 180 HD22 LEU 28 2HD2 LEU 28 5.225 0.646 0.650 181 HD23 LEU 28 3HD2 LEU 28 4.399 0.383 2.186 182 H GLY 29 H GLY 29 9.600 1.366 2.744 183 HA2 GLY 29 1HA GLY 29 11.406 3.599 2.182 184 HA3 GLY 29 2HA GLY 29 11.882 1.972 2.646 185 H GLY 30 H GLY 30 11.495 4.144 0.084 186 HA2 GLY 30 1HA GLY 30 12.810 3.330 -1.916 187 HA3 GLY 30 2HA GLY 30 11.718 1.953 -1.884 188 H GLY 31 H GLY 31 10.457 2.115 -3.626 189 HA2 GLY 31 1HA GLY 31 8.727 2.924 -4.924 190 HA3 GLY 31 2HA GLY 31 8.607 4.297 -3.833 191 H ARG 32 H ARG 32 8.212 5.437 -5.902 192 HA ARG 32 HA ARG 32 10.204 5.719 -7.868 193 HB2 ARG 32 1HB ARG 32 7.664 6.467 -7.782 194 HB3 ARG 32 2HB ARG 32 8.367 7.989 -7.251 195 HG2 ARG 32 1HG ARG 32 8.270 8.333 -9.505 196 HG3 ARG 32 2HG ARG 32 9.894 7.658 -9.356 197 HD2 ARG 32 1HD ARG 32 8.958 5.424 -9.887 198 HD3 ARG 32 2HD ARG 32 7.388 6.181 -10.151 199 HE ARG 32 HE ARG 32 9.061 7.552 -11.797 200 HH11 ARG 32 2HH1 ARG 32 8.310 4.183 -11.349 201 HH12 ARG 32 1HH1 ARG 32 8.611 3.762 -13.003 202 HH21 ARG 32 2HH2 ARG 32 9.461 7.011 -13.976 203 HH22 ARG 32 1HH2 ARG 32 9.266 5.371 -14.496 204 H ASP 33 H ASP 33 12.199 6.420 -7.494 205 HA ASP 33 HA ASP 33 12.590 8.622 -5.580 206 HB2 ASP 33 1HB ASP 33 13.764 6.330 -5.292 207 HB3 ASP 33 2HB ASP 33 14.798 6.863 -6.615 208 H VAL 34 H VAL 34 14.085 10.300 -6.111 209 HA VAL 34 HA VAL 34 13.833 11.223 -8.788 210 HB VAL 34 HB VAL 34 15.568 12.967 -7.945 211 HG11 VAL 34 1HG1 VAL 34 13.828 14.301 -7.311 212 HG12 VAL 34 2HG1 VAL 34 12.925 12.990 -8.073 213 HG13 VAL 34 3HG1 VAL 34 13.084 13.049 -6.317 214 HG21 VAL 34 1HG2 VAL 34 16.157 11.392 -5.996 215 HG22 VAL 34 2HG2 VAL 34 15.975 13.113 -5.653 216 HG23 VAL 34 3HG2 VAL 34 14.674 11.992 -5.254 217 H ALA 35 H ALA 35 15.928 9.021 -7.401 218 HA ALA 35 HA ALA 35 17.986 9.526 -9.450 219 HB1 ALA 35 1HB ALA 35 19.402 9.525 -7.730 220 HB2 ALA 35 2HB ALA 35 18.184 8.886 -6.625 221 HB3 ALA 35 3HB ALA 35 19.122 7.786 -7.634 222 H GLY 36 H GLY 36 15.626 7.334 -8.266 223 HA2 GLY 36 1HA GLY 36 15.980 5.594 -10.508 224 HA3 GLY 36 2HA GLY 36 16.534 4.848 -9.016 225 H ASP 37 H ASP 37 14.724 3.365 -9.861 226 HA ASP 37 HA ASP 37 12.217 4.195 -8.558 227 HB2 ASP 37 1HB ASP 37 11.120 2.615 -10.296 228 HB3 ASP 37 2HB ASP 37 11.600 4.230 -10.811 229 H THR 38 H THR 38 12.243 3.075 -6.705 230 HA THR 38 HA THR 38 12.996 0.233 -6.788 231 HB THR 38 HB THR 38 12.887 0.599 -4.184 232 HG1 THR 38 1HG THR 38 12.105 2.764 -4.343 233 HG21 THR 38 1HG2 THR 38 15.039 1.331 -6.121 234 HG22 THR 38 2HG2 THR 38 14.959 -0.016 -4.985 235 HG23 THR 38 3HG2 THR 38 15.300 1.612 -4.400 236 HA PRO 39 HA PRO 39 8.858 -1.070 -6.086 237 HB2 PRO 39 1HB PRO 39 9.289 -3.342 -4.663 238 HB3 PRO 39 2HB PRO 39 9.621 -3.215 -6.395 239 HG2 PRO 39 1HG PRO 39 11.513 -3.015 -4.085 240 HG3 PRO 39 2HG PRO 39 11.717 -3.866 -5.627 241 HD2 PRO 39 1HD PRO 39 12.829 -1.445 -5.140 242 HD3 PRO 39 2HD PRO 39 12.288 -1.940 -6.758 243 H LEU 40 H LEU 40 7.526 -0.031 -4.746 244 HA LEU 40 HA LEU 40 8.146 0.850 -2.170 245 HB2 LEU 40 1HB LEU 40 5.643 0.542 -3.745 246 HB3 LEU 40 2HB LEU 40 5.505 0.849 -2.015 247 HG LEU 40 HG LEU 40 7.022 2.627 -3.918 248 HD11 LEU 40 1HD1 LEU 40 4.221 2.299 -3.666 249 HD12 LEU 40 2HD1 LEU 40 5.107 3.509 -4.594 250 HD13 LEU 40 3HD1 LEU 40 4.654 3.839 -2.922 251 HD21 LEU 40 1HD2 LEU 40 5.940 3.666 -1.398 252 HD22 LEU 40 2HD2 LEU 40 7.514 3.922 -2.152 253 HD23 LEU 40 3HD2 LEU 40 7.214 2.459 -1.212 254 H ALA 41 H ALA 41 8.118 -0.081 -0.224 255 HA ALA 41 HA ALA 41 6.428 -2.326 0.385 256 HB1 ALA 41 1HB ALA 41 9.376 -2.703 -0.005 257 HB2 ALA 41 2HB ALA 41 8.458 -3.732 1.095 258 HB3 ALA 41 3HB ALA 41 8.040 -3.678 -0.617 259 H VAL 42 H VAL 42 6.261 -2.727 2.599 260 HA VAL 42 HA VAL 42 6.477 -0.640 4.346 261 HB VAL 42 HB VAL 42 6.667 -3.578 5.022 262 HG11 VAL 42 1HG1 VAL 42 5.449 -1.956 7.052 263 HG12 VAL 42 2HG1 VAL 42 6.833 -3.044 7.172 264 HG13 VAL 42 3HG1 VAL 42 7.071 -1.362 6.696 265 HG21 VAL 42 1HG2 VAL 42 4.586 -3.534 4.169 266 HG22 VAL 42 2HG2 VAL 42 4.167 -2.780 5.707 267 HG23 VAL 42 3HG2 VAL 42 4.463 -1.779 4.286 268 H ARG 43 H ARG 43 8.088 0.400 5.312 269 HA ARG 43 HA ARG 43 10.761 -0.808 5.269 270 HB2 ARG 43 1HB ARG 43 10.844 1.288 4.217 271 HB3 ARG 43 2HB ARG 43 9.776 2.027 5.402 272 HG2 ARG 43 1HG ARG 43 12.241 2.649 5.488 273 HG3 ARG 43 2HG ARG 43 11.468 2.183 7.004 274 HD2 ARG 43 1HD ARG 43 12.551 0.139 7.078 275 HD3 ARG 43 2HD ARG 43 12.852 0.122 5.341 276 HE ARG 43 HE ARG 43 14.539 1.217 7.356 277 HH11 ARG 43 2HH1 ARG 43 13.507 1.623 4.056 278 HH12 ARG 43 1HH1 ARG 43 14.964 2.417 3.560 279 HH21 ARG 43 2HH2 ARG 43 16.463 2.262 6.716 280 HH22 ARG 43 1HH2 ARG 43 16.646 2.780 5.074 281 H GLY 44 H GLY 44 9.033 1.443 7.440 282 HA2 GLY 44 1HA GLY 44 10.150 -0.090 9.708 283 HA3 GLY 44 2HA GLY 44 9.964 1.657 9.726 284 H LEU 45 H LEU 45 8.885 -0.339 11.569 285 HA LEU 45 HA LEU 45 6.007 0.125 11.144 286 HB2 LEU 45 1HB LEU 45 7.520 -2.162 12.309 287 HB3 LEU 45 2HB LEU 45 5.905 -1.811 12.922 288 HG LEU 45 HG LEU 45 6.499 -2.317 10.012 289 HD11 LEU 45 1HD1 LEU 45 6.941 -4.413 10.704 290 HD12 LEU 45 2HD1 LEU 45 5.185 -4.522 10.823 291 HD13 LEU 45 3HD1 LEU 45 6.147 -4.184 12.262 292 HD21 LEU 45 1HD2 LEU 45 4.034 -2.834 10.029 293 HD22 LEU 45 2HD2 LEU 45 4.459 -1.141 10.275 294 HD23 LEU 45 3HD2 LEU 45 3.981 -2.138 11.649 295 H LEU 46 H LEU 46 5.532 1.917 12.271 296 HA LEU 46 HA LEU 46 6.776 3.000 14.448 297 HB2 LEU 46 1HB LEU 46 4.779 3.848 13.045 298 HB3 LEU 46 2HB LEU 46 3.786 3.035 14.253 299 HG LEU 46 HG LEU 46 5.071 4.470 15.965 300 HD11 LEU 46 1HD1 LEU 46 5.472 6.738 14.483 301 HD12 LEU 46 2HD1 LEU 46 6.120 5.475 13.436 302 HD13 LEU 46 3HD1 LEU 46 6.737 5.662 15.078 303 HD21 LEU 46 1HD2 LEU 46 2.748 4.822 15.567 304 HD22 LEU 46 2HD2 LEU 46 3.070 5.605 14.020 305 HD23 LEU 46 3HD2 LEU 46 3.537 6.399 15.524 306 H LYS 47 H LYS 47 6.955 2.567 16.558 307 HA LYS 47 HA LYS 47 6.080 0.082 17.599 308 HB2 LYS 47 1HB LYS 47 8.109 1.044 18.440 309 HB3 LYS 47 2HB LYS 47 7.279 2.518 18.919 310 HG2 LYS 47 1HG LYS 47 7.724 1.225 20.875 311 HG3 LYS 47 2HG LYS 47 5.986 1.190 20.569 312 HD2 LYS 47 1HD LYS 47 6.427 -1.008 19.339 313 HD3 LYS 47 2HD LYS 47 8.015 -0.980 20.109 314 HE2 LYS 47 1HE LYS 47 7.060 -1.069 22.278 315 HE3 LYS 47 2HE LYS 47 5.443 -0.744 21.655 316 HZ1 LYS 47 1HZ LYS 47 5.142 -2.879 21.080 317 HZ2 LYS 47 2HZ LYS 47 6.349 -3.183 22.225 318 HZ3 LYS 47 3HZ LYS 47 6.743 -3.103 20.582 319 H ASP 48 H ASP 48 4.618 -0.330 19.314 320 HA ASP 48 HA ASP 48 2.479 -0.245 20.133 321 HB2 ASP 48 1HB ASP 48 2.150 1.473 21.731 322 HB3 ASP 48 2HB ASP 48 3.891 1.213 21.671 323 H GLY 49 H GLY 49 2.586 0.342 17.363 324 HA2 GLY 49 1HA GLY 49 0.546 2.454 17.083 325 HA3 GLY 49 2HA GLY 49 1.610 1.908 15.795 326 HA PRO 50 HA PRO 50 -2.604 -0.281 15.749 327 HB2 PRO 50 1HB PRO 50 -3.635 0.944 13.557 328 HB3 PRO 50 2HB PRO 50 -3.874 1.553 15.199 329 HG2 PRO 50 1HG PRO 50 -1.919 2.445 13.115 330 HG3 PRO 50 2HG PRO 50 -2.912 3.424 14.209 331 HD2 PRO 50 1HD PRO 50 -0.292 2.927 14.673 332 HD3 PRO 50 2HD PRO 50 -1.471 3.129 15.984 333 H ALA 51 H ALA 51 -0.307 0.686 13.262 334 HA ALA 51 HA ALA 51 -1.018 -1.410 11.440 335 HB1 ALA 51 1HB ALA 51 0.901 -0.687 10.151 336 HB2 ALA 51 2HB ALA 51 -0.032 0.713 10.682 337 HB3 ALA 51 3HB ALA 51 1.471 0.291 11.503 338 H GLN 52 H GLN 52 1.531 -0.909 13.841 339 HA GLN 52 HA GLN 52 2.847 -3.388 13.246 340 HB2 GLN 52 1HB GLN 52 4.228 -1.666 14.113 341 HB3 GLN 52 2HB GLN 52 3.135 -1.364 15.458 342 HG2 GLN 52 1HG GLN 52 5.073 -2.501 16.271 343 HG3 GLN 52 2HG GLN 52 3.693 -3.594 16.360 344 HE21 GLN 52 1HE2 GLN 52 6.770 -2.983 14.958 345 HE22 GLN 52 2HE2 GLN 52 6.919 -4.473 14.096 346 H ARG 53 H ARG 53 0.743 -2.215 15.853 347 HA ARG 53 HA ARG 53 0.742 -4.504 17.437 348 HB2 ARG 53 1HB ARG 53 -1.354 -2.384 16.990 349 HB3 ARG 53 2HB ARG 53 -1.560 -3.680 18.161 350 HG2 ARG 53 1HG ARG 53 0.291 -2.926 19.445 351 HG3 ARG 53 2HG ARG 53 0.774 -1.785 18.188 352 HD2 ARG 53 1HD ARG 53 -0.933 -0.317 18.677 353 HD3 ARG 53 2HD ARG 53 -1.950 -1.573 19.383 354 HE ARG 53 HE ARG 53 -0.064 0.060 20.748 355 HH11 ARG 53 2HH1 ARG 53 -1.462 -3.128 20.698 356 HH12 ARG 53 1HH1 ARG 53 -1.196 -3.412 22.387 357 HH21 ARG 53 2HH2 ARG 53 0.291 -0.303 22.972 358 HH22 ARG 53 1HH2 ARG 53 -0.200 -1.804 23.679 359 H CYS 54 H CYS 54 -1.287 -3.655 14.666 360 HA CYS 54 HA CYS 54 -3.112 -5.740 14.771 361 HB2 CYS 54 1HB CYS 54 -2.005 -4.046 12.579 362 HB3 CYS 54 2HB CYS 54 -2.954 -5.460 12.135 363 HG CYS 54 HG CYS 54 -5.141 -4.128 12.216 364 H GLY 55 H GLY 55 0.189 -5.694 13.560 365 HA2 GLY 55 1HA GLY 55 1.615 -7.400 12.989 366 HA3 GLY 55 2HA GLY 55 0.537 -8.471 13.873 367 H ARG 56 H ARG 56 -0.079 -6.526 10.969 368 HA ARG 56 HA ARG 56 -0.850 -9.010 9.594 369 HB2 ARG 56 1HB ARG 56 -1.739 -6.152 9.225 370 HB3 ARG 56 2HB ARG 56 -2.094 -7.413 8.052 371 HG2 ARG 56 1HG ARG 56 -3.052 -8.657 10.155 372 HG3 ARG 56 2HG ARG 56 -3.167 -7.016 10.795 373 HD2 ARG 56 1HD ARG 56 -5.227 -7.279 9.791 374 HD3 ARG 56 2HD ARG 56 -4.299 -6.492 8.515 375 HE ARG 56 HE ARG 56 -4.572 -8.363 7.243 376 HH11 ARG 56 2HH1 ARG 56 -5.084 -9.206 10.582 377 HH12 ARG 56 1HH1 ARG 56 -5.569 -10.832 10.233 378 HH21 ARG 56 2HH2 ARG 56 -5.209 -10.502 6.771 379 HH22 ARG 56 1HH2 ARG 56 -5.639 -11.569 8.064 380 H LEU 57 H LEU 57 0.905 -5.965 9.193 381 HA LEU 57 HA LEU 57 2.210 -7.105 6.811 382 HB2 LEU 57 1HB LEU 57 1.888 -4.211 7.588 383 HB3 LEU 57 2HB LEU 57 2.701 -4.803 6.141 384 HG LEU 57 HG LEU 57 -0.244 -4.939 6.771 385 HD11 LEU 57 1HD1 LEU 57 1.287 -3.563 4.568 386 HD12 LEU 57 2HD1 LEU 57 0.577 -2.775 5.976 387 HD13 LEU 57 3HD1 LEU 57 -0.464 -3.555 4.785 388 HD21 LEU 57 1HD2 LEU 57 0.053 -6.948 5.680 389 HD22 LEU 57 2HD2 LEU 57 1.407 -6.351 4.720 390 HD23 LEU 57 3HD2 LEU 57 -0.240 -5.851 4.330 391 H GLU 58 H GLU 58 4.417 -7.157 6.687 392 HA GLU 58 HA GLU 58 5.927 -6.096 8.976 393 HB2 GLU 58 1HB GLU 58 6.288 -8.834 7.743 394 HB3 GLU 58 2HB GLU 58 7.306 -8.137 8.995 395 HG2 GLU 58 1HG GLU 58 5.654 -8.309 10.615 396 HG3 GLU 58 2HG GLU 58 4.364 -8.449 9.421 397 H VAL 59 H VAL 59 8.031 -5.430 8.544 398 HA VAL 59 HA VAL 59 8.623 -4.135 6.254 399 HB VAL 59 HB VAL 59 10.732 -5.627 7.816 400 HG11 VAL 59 1HG1 VAL 59 12.018 -4.671 6.244 401 HG12 VAL 59 2HG1 VAL 59 10.754 -3.541 5.756 402 HG13 VAL 59 3HG1 VAL 59 11.756 -3.190 7.165 403 HG21 VAL 59 1HG2 VAL 59 9.264 -3.079 8.441 404 HG22 VAL 59 2HG2 VAL 59 9.474 -4.503 9.460 405 HG23 VAL 59 3HG2 VAL 59 10.847 -3.449 9.125 406 H GLY 60 H GLY 60 8.954 -4.654 4.196 407 HA2 GLY 60 1HA GLY 60 10.346 -5.989 2.646 408 HA3 GLY 60 2HA GLY 60 9.876 -7.396 3.588 409 H ASP 61 H ASP 61 7.097 -6.168 3.790 410 HA ASP 61 HA ASP 61 5.892 -7.633 1.736 411 HB2 ASP 61 1HB ASP 61 4.960 -5.587 3.694 412 HB3 ASP 61 2HB ASP 61 3.899 -5.978 2.343 413 H LEU 62 H LEU 62 5.210 -7.153 -0.287 414 HA LEU 62 HA LEU 62 6.160 -4.644 -1.430 415 HB2 LEU 62 1HB LEU 62 4.901 -6.933 -2.913 416 HB3 LEU 62 2HB LEU 62 5.950 -5.667 -3.549 417 HG LEU 62 HG LEU 62 6.904 -7.748 -1.593 418 HD11 LEU 62 1HD1 LEU 62 6.598 -9.223 -3.251 419 HD12 LEU 62 2HD1 LEU 62 7.999 -8.443 -3.983 420 HD13 LEU 62 3HD1 LEU 62 6.372 -7.965 -4.466 421 HD21 LEU 62 1HD2 LEU 62 8.343 -5.902 -3.496 422 HD22 LEU 62 2HD2 LEU 62 9.104 -7.103 -2.453 423 HD23 LEU 62 3HD2 LEU 62 8.256 -5.729 -1.743 424 H VAL 63 H VAL 63 4.871 -3.049 -2.148 425 HA VAL 63 HA VAL 63 1.984 -3.370 -1.747 426 HB VAL 63 HB VAL 63 3.307 -0.742 -2.321 427 HG11 VAL 63 1HG1 VAL 63 0.929 -1.481 -0.620 428 HG12 VAL 63 2HG1 VAL 63 1.462 0.148 -1.042 429 HG13 VAL 63 3HG1 VAL 63 0.843 -0.931 -2.293 430 HG21 VAL 63 1HG2 VAL 63 4.678 -1.393 -0.566 431 HG22 VAL 63 2HG2 VAL 63 3.372 -0.542 0.259 432 HG23 VAL 63 3HG2 VAL 63 3.396 -2.305 0.231 433 H LEU 64 H LEU 64 0.677 -3.588 -3.432 434 HA LEU 64 HA LEU 64 1.712 -3.021 -6.111 435 HB2 LEU 64 1HB LEU 64 -0.700 -4.576 -5.190 436 HB3 LEU 64 2HB LEU 64 -0.260 -4.322 -6.878 437 HG LEU 64 HG LEU 64 1.347 -5.855 -4.833 438 HD11 LEU 64 1HD1 LEU 64 0.735 -7.814 -6.076 439 HD12 LEU 64 2HD1 LEU 64 -0.138 -6.844 -7.261 440 HD13 LEU 64 3HD1 LEU 64 -0.735 -6.960 -5.605 441 HD21 LEU 64 1HD2 LEU 64 3.038 -5.238 -6.191 442 HD22 LEU 64 2HD2 LEU 64 1.962 -4.829 -7.527 443 HD23 LEU 64 3HD2 LEU 64 2.393 -6.513 -7.226 444 H HIS 65 H HIS 65 -1.009 -2.272 -3.985 445 HA HIS 65 HA HIS 65 -1.461 0.188 -5.468 446 HB2 HIS 65 1HB HIS 65 -3.648 -1.856 -5.034 447 HB3 HIS 65 2HB HIS 65 -3.900 -0.219 -5.633 448 HD1 HIS 65 1HD HIS 65 -1.763 0.025 -7.749 449 HD2 HIS 65 2HD HIS 65 -4.030 -3.414 -7.213 450 HE1 HIS 65 1HE HIS 65 -1.677 -1.186 -9.951 451 HE2 HIS 65 2HE HIS 65 -3.126 -3.221 -9.628 452 H ILE 66 H ILE 66 -3.256 1.495 -4.333 453 HA ILE 66 HA ILE 66 -3.451 0.949 -1.479 454 HB ILE 66 HB ILE 66 -2.116 3.411 -2.595 455 HG12 ILE 66 1HG1 ILE 66 -1.195 1.521 -0.426 456 HG13 ILE 66 2HG1 ILE 66 -0.764 1.324 -2.121 457 HG21 ILE 66 1HG2 ILE 66 -2.155 3.587 0.191 458 HG22 ILE 66 2HG2 ILE 66 -3.040 4.591 -0.955 459 HG23 ILE 66 3HG2 ILE 66 -3.799 3.153 -0.274 460 HD11 ILE 66 1HD1 ILE 66 1.056 2.463 -1.405 461 HD12 ILE 66 2HD1 ILE 66 0.024 3.832 -1.820 462 HD13 ILE 66 3HD1 ILE 66 0.168 3.313 -0.140 463 H ASN 67 H ASN 67 -5.353 1.587 -0.656 464 HA ASN 67 HA ASN 67 -7.515 2.310 -0.630 465 HB2 ASN 67 1HB ASN 67 -5.891 4.657 -1.476 466 HB3 ASN 67 2HB ASN 67 -7.643 4.796 -1.600 467 HD21 ASN 67 1HD2 ASN 67 -4.977 5.031 0.420 468 HD22 ASN 67 2HD2 ASN 67 -5.810 5.163 1.928 469 H GLY 68 H GLY 68 -7.105 0.632 -2.733 470 HA2 GLY 68 1HA GLY 68 -7.998 -0.022 -4.743 471 HA3 GLY 68 2HA GLY 68 -9.259 1.159 -4.420 472 H GLU 69 H GLU 69 -6.006 2.285 -4.617 473 HA GLU 69 HA GLU 69 -6.585 3.399 -7.283 474 HB2 GLU 69 1HB GLU 69 -6.359 4.929 -5.166 475 HB3 GLU 69 2HB GLU 69 -4.636 4.670 -5.398 476 HG2 GLU 69 1HG GLU 69 -4.975 6.611 -6.567 477 HG3 GLU 69 2HG GLU 69 -5.122 5.402 -7.841 478 H SER 70 H SER 70 -4.836 3.624 -8.752 479 HA SER 70 HA SER 70 -2.885 1.494 -8.498 480 HB2 SER 70 1HB SER 70 -2.265 2.354 -10.868 481 HB3 SER 70 2HB SER 70 -3.820 1.552 -10.646 482 HG SER 70 HG SER 70 -3.682 3.703 -11.809 483 H THR 71 H THR 71 -0.783 1.730 -8.054 484 HA THR 71 HA THR 71 0.188 4.368 -7.339 485 HB THR 71 HB THR 71 1.866 3.339 -6.138 486 HG1 THR 71 1HG THR 71 2.927 1.560 -6.803 487 HG21 THR 71 1HG2 THR 71 0.438 0.828 -5.929 488 HG22 THR 71 2HG2 THR 71 -0.668 2.202 -5.928 489 HG23 THR 71 3HG2 THR 71 0.630 2.113 -4.738 490 H GLN 72 H GLN 72 0.088 2.596 -10.129 491 HA GLN 72 HA GLN 72 2.616 2.763 -11.247 492 HB2 GLN 72 1HB GLN 72 1.609 2.383 -13.313 493 HB3 GLN 72 2HB GLN 72 0.444 1.713 -12.179 494 HG2 GLN 72 1HG GLN 72 -0.880 3.764 -12.334 495 HG3 GLN 72 2HG GLN 72 0.284 4.421 -13.484 496 HE21 GLN 72 1HE2 GLN 72 -1.537 1.403 -13.034 497 HE22 GLN 72 2HE2 GLN 72 -2.072 1.284 -14.672 498 H GLY 73 H GLY 73 0.308 5.272 -10.619 499 HA2 GLY 73 1HA GLY 73 2.083 7.195 -11.993 500 HA3 GLY 73 2HA GLY 73 0.340 7.396 -11.897 501 H LEU 74 H LEU 74 1.997 6.163 -9.132 502 HA LEU 74 HA LEU 74 1.788 8.803 -7.842 503 HB2 LEU 74 1HB LEU 74 1.342 6.142 -6.505 504 HB3 LEU 74 2HB LEU 74 1.108 7.741 -5.801 505 HG LEU 74 HG LEU 74 -0.535 6.602 -8.061 506 HD11 LEU 74 1HD1 LEU 74 -1.406 6.974 -5.210 507 HD12 LEU 74 2HD1 LEU 74 -0.744 5.452 -5.807 508 HD13 LEU 74 3HD1 LEU 74 -2.226 6.103 -6.507 509 HD21 LEU 74 1HD2 LEU 74 -2.056 8.522 -7.164 510 HD22 LEU 74 2HD2 LEU 74 -0.742 8.884 -8.284 511 HD23 LEU 74 3HD2 LEU 74 -0.537 9.181 -6.557 512 H THR 75 H THR 75 3.463 9.461 -6.580 513 HA THR 75 HA THR 75 5.862 7.773 -6.631 514 HB THR 75 HB THR 75 6.972 9.985 -5.871 515 HG1 THR 75 1HG THR 75 4.569 11.022 -7.002 516 HG21 THR 75 1HG2 THR 75 7.591 10.295 -8.023 517 HG22 THR 75 2HG2 THR 75 5.927 10.401 -8.596 518 HG23 THR 75 3HG2 THR 75 6.658 8.825 -8.296 519 H HIS 76 H HIS 76 7.351 8.092 -4.695 520 HA HIS 76 HA HIS 76 6.334 6.980 -2.433 521 HB2 HIS 76 1HB HIS 76 8.646 7.042 -2.455 522 HB3 HIS 76 2HB HIS 76 8.702 8.740 -2.918 523 HD1 HIS 76 1HD HIS 76 8.725 10.473 -1.048 524 HD2 HIS 76 2HD HIS 76 8.307 6.572 0.320 525 HE1 HIS 76 1HE HIS 76 9.050 10.595 1.443 526 HE2 HIS 76 2HE HIS 76 8.878 8.212 2.238 527 H ALA 77 H ALA 77 6.252 10.357 -3.336 528 HA ALA 77 HA ALA 77 5.364 11.284 -0.767 529 HB1 ALA 77 1HB ALA 77 5.648 12.544 -3.468 530 HB2 ALA 77 2HB ALA 77 4.814 13.384 -2.160 531 HB3 ALA 77 3HB ALA 77 6.503 12.913 -1.970 532 H GLN 78 H GLN 78 3.812 10.755 -3.923 533 HA GLN 78 HA GLN 78 1.232 11.553 -3.189 534 HB2 GLN 78 1HB GLN 78 2.038 9.475 -5.232 535 HB3 GLN 78 2HB GLN 78 0.470 10.264 -5.137 536 HG2 GLN 78 1HG GLN 78 2.933 11.919 -5.416 537 HG3 GLN 78 2HG GLN 78 2.266 11.095 -6.824 538 HE21 GLN 78 1HE2 GLN 78 2.333 13.679 -7.082 539 HE22 GLN 78 2HE2 GLN 78 0.787 14.414 -6.848 540 H ALA 79 H ALA 79 2.548 8.244 -3.413 541 HA ALA 79 HA ALA 79 0.455 6.756 -2.555 542 HB1 ALA 79 1HB ALA 79 1.991 5.158 -2.588 543 HB2 ALA 79 2HB ALA 79 3.243 6.392 -2.731 544 HB3 ALA 79 3HB ALA 79 2.751 5.815 -1.139 545 H VAL 80 H VAL 80 2.636 8.636 -0.495 546 HA VAL 80 HA VAL 80 1.469 7.800 1.963 547 HB VAL 80 HB VAL 80 3.129 10.249 1.351 548 HG11 VAL 80 1HG1 VAL 80 3.352 10.638 3.627 549 HG12 VAL 80 2HG1 VAL 80 1.649 10.201 3.473 550 HG13 VAL 80 3HG1 VAL 80 2.816 9.015 4.060 551 HG21 VAL 80 1HG2 VAL 80 4.929 8.942 1.389 552 HG22 VAL 80 2HG2 VAL 80 4.414 8.176 2.892 553 HG23 VAL 80 3HG2 VAL 80 3.844 7.552 1.344 554 H GLU 81 H GLU 81 0.912 10.487 -0.238 555 HA GLU 81 HA GLU 81 -0.775 11.993 1.458 556 HB2 GLU 81 1HB GLU 81 0.266 12.973 -0.517 557 HB3 GLU 81 2HB GLU 81 -0.642 11.887 -1.560 558 HG2 GLU 81 1HG GLU 81 -2.159 13.645 0.287 559 HG3 GLU 81 2HG GLU 81 -1.406 14.371 -1.131 560 H ARG 82 H ARG 82 -1.505 9.664 -1.131 561 HA ARG 82 HA ARG 82 -4.251 9.756 -1.103 562 HB2 ARG 82 1HB ARG 82 -2.481 7.329 -1.443 563 HB3 ARG 82 2HB ARG 82 -4.188 7.389 -1.861 564 HG2 ARG 82 1HG ARG 82 -2.003 9.054 -3.094 565 HG3 ARG 82 2HG ARG 82 -2.797 7.660 -3.830 566 HD2 ARG 82 1HD ARG 82 -4.100 10.270 -3.062 567 HD3 ARG 82 2HD ARG 82 -3.732 9.726 -4.698 568 HE ARG 82 HE ARG 82 -5.313 7.756 -3.758 569 HH11 ARG 82 2HH1 ARG 82 -5.638 11.222 -3.831 570 HH12 ARG 82 1HH1 ARG 82 -7.367 11.188 -3.934 571 HH21 ARG 82 2HH2 ARG 82 -7.589 7.699 -3.893 572 HH22 ARG 82 1HH2 ARG 82 -8.476 9.183 -3.968 573 H ILE 83 H ILE 83 -2.216 7.568 0.844 574 HA ILE 83 HA ILE 83 -4.217 6.327 2.294 575 HB ILE 83 HB ILE 83 -1.476 7.076 3.319 576 HG12 ILE 83 1HG1 ILE 83 -2.342 4.491 2.016 577 HG13 ILE 83 2HG1 ILE 83 -1.559 5.799 1.135 578 HG21 ILE 83 1HG2 ILE 83 -2.648 6.378 5.194 579 HG22 ILE 83 2HG2 ILE 83 -3.593 5.198 4.287 580 HG23 ILE 83 3HG2 ILE 83 -1.892 4.887 4.632 581 HD11 ILE 83 1HD1 ILE 83 -0.402 4.217 3.416 582 HD12 ILE 83 2HD1 ILE 83 0.067 4.138 1.717 583 HD13 ILE 83 3HD1 ILE 83 0.379 5.601 2.651 584 H ARG 84 H ARG 84 -2.288 9.138 3.356 585 HA ARG 84 HA ARG 84 -3.596 9.682 5.716 586 HB2 ARG 84 1HB ARG 84 -2.250 11.488 3.721 587 HB3 ARG 84 2HB ARG 84 -2.953 12.125 5.202 588 HG2 ARG 84 1HG ARG 84 -1.491 10.241 6.313 589 HG3 ARG 84 2HG ARG 84 -0.563 10.403 4.821 590 HD2 ARG 84 1HD ARG 84 -1.324 12.879 6.279 591 HD3 ARG 84 2HD ARG 84 -0.044 11.875 6.959 592 HE ARG 84 HE ARG 84 0.397 12.357 4.198 593 HH11 ARG 84 2HH1 ARG 84 0.608 13.853 7.335 594 HH12 ARG 84 1HH1 ARG 84 1.874 14.943 6.874 595 HH21 ARG 84 2HH2 ARG 84 2.064 13.787 3.580 596 HH22 ARG 84 1HH2 ARG 84 2.700 14.905 4.738 597 H ALA 85 H ALA 85 -4.334 11.082 2.520 598 HA ALA 85 HA ALA 85 -6.644 12.469 3.387 599 HB1 ALA 85 1HB ALA 85 -6.035 11.566 0.578 600 HB2 ALA 85 2HB ALA 85 -7.065 12.908 1.077 601 HB3 ALA 85 3HB ALA 85 -5.322 12.992 1.333 602 H GLY 86 H GLY 86 -6.078 9.181 2.861 603 HA2 GLY 86 1HA GLY 86 -8.418 8.216 1.739 604 HA3 GLY 86 2HA GLY 86 -7.469 7.356 2.942 605 H GLY 87 H GLY 87 -7.953 9.647 4.861 606 HA2 GLY 87 1HA GLY 87 -9.891 10.524 6.010 607 HA3 GLY 87 2HA GLY 87 -10.796 9.128 5.444 608 HA PRO 88 HA PRO 88 -9.675 8.261 9.818 609 HB2 PRO 88 1HB PRO 88 -12.032 7.050 10.405 610 HB3 PRO 88 2HB PRO 88 -11.806 8.801 10.485 611 HG2 PRO 88 1HG PRO 88 -13.044 7.148 8.318 612 HG3 PRO 88 2HG PRO 88 -13.592 8.690 9.000 613 HD2 PRO 88 1HD PRO 88 -12.260 8.528 6.649 614 HD3 PRO 88 2HD PRO 88 -12.105 9.920 7.740 615 H GLN 89 H GLN 89 -10.623 6.379 7.098 616 HA GLN 89 HA GLN 89 -9.650 3.935 8.425 617 HB2 GLN 89 1HB GLN 89 -11.852 4.411 6.486 618 HB3 GLN 89 2HB GLN 89 -10.939 2.917 6.316 619 HG2 GLN 89 1HG GLN 89 -12.196 3.787 8.902 620 HG3 GLN 89 2HG GLN 89 -13.024 2.786 7.710 621 HE21 GLN 89 1HE2 GLN 89 -12.332 2.126 10.431 622 HE22 GLN 89 2HE2 GLN 89 -11.301 0.742 10.360 623 H LEU 90 H LEU 90 -7.976 2.853 7.541 624 HA LEU 90 HA LEU 90 -6.734 4.045 5.166 625 HB2 LEU 90 1HB LEU 90 -5.219 4.039 6.952 626 HB3 LEU 90 2HB LEU 90 -5.681 2.412 7.450 627 HG LEU 90 HG LEU 90 -4.322 2.854 4.819 628 HD11 LEU 90 1HD1 LEU 90 -3.088 3.954 6.804 629 HD12 LEU 90 2HD1 LEU 90 -2.198 2.865 5.740 630 HD13 LEU 90 3HD1 LEU 90 -2.764 2.296 7.310 631 HD21 LEU 90 1HD2 LEU 90 -4.858 0.659 4.868 632 HD22 LEU 90 2HD2 LEU 90 -4.948 0.605 6.628 633 HD23 LEU 90 3HD2 LEU 90 -3.379 0.552 5.823 634 H HIS 91 H HIS 91 -5.834 2.681 3.527 635 HA HIS 91 HA HIS 91 -6.594 -0.112 3.472 636 HB2 HIS 91 1HB HIS 91 -8.618 1.103 2.659 637 HB3 HIS 91 2HB HIS 91 -7.647 1.769 1.350 638 HD1 HIS 91 1HD HIS 91 -7.511 0.406 -0.729 639 HD2 HIS 91 2HD HIS 91 -8.826 -1.820 2.523 640 HE1 HIS 91 1HE HIS 91 -8.157 -1.837 -1.666 641 HE2 HIS 91 2HE HIS 91 -9.030 -3.137 0.306 642 H LEU 92 H LEU 92 -4.955 -1.197 2.618 643 HA LEU 92 HA LEU 92 -3.461 -0.046 0.385 644 HB2 LEU 92 1HB LEU 92 -1.991 -1.309 2.671 645 HB3 LEU 92 2HB LEU 92 -1.352 -0.318 1.361 646 HG LEU 92 HG LEU 92 -3.064 0.690 3.634 647 HD11 LEU 92 1HD1 LEU 92 -0.116 1.082 3.146 648 HD12 LEU 92 2HD1 LEU 92 -0.798 -0.049 4.315 649 HD13 LEU 92 3HD1 LEU 92 -1.061 1.684 4.508 650 HD21 LEU 92 1HD2 LEU 92 -2.631 1.778 1.107 651 HD22 LEU 92 2HD2 LEU 92 -1.526 2.647 2.173 652 HD23 LEU 92 3HD2 LEU 92 -3.253 2.611 2.532 653 H VAL 93 H VAL 93 -2.776 -1.521 -1.088 654 HA VAL 93 HA VAL 93 -3.597 -4.293 -0.632 655 HB VAL 93 HB VAL 93 -2.637 -3.163 -3.249 656 HG11 VAL 93 1HG1 VAL 93 -4.662 -5.002 -3.666 657 HG12 VAL 93 2HG1 VAL 93 -2.930 -5.293 -3.837 658 HG13 VAL 93 3HG1 VAL 93 -3.744 -5.677 -2.320 659 HG21 VAL 93 1HG2 VAL 93 -4.358 -1.665 -2.752 660 HG22 VAL 93 2HG2 VAL 93 -5.151 -2.911 -3.716 661 HG23 VAL 93 3HG2 VAL 93 -5.334 -2.904 -1.962 662 H ILE 94 H ILE 94 -2.063 -5.543 0.219 663 HA ILE 94 HA ILE 94 0.716 -5.179 -0.676 664 HB ILE 94 HB ILE 94 -0.365 -6.501 1.813 665 HG12 ILE 94 1HG1 ILE 94 -0.386 -4.049 1.872 666 HG13 ILE 94 2HG1 ILE 94 0.821 -4.693 2.979 667 HG21 ILE 94 1HG2 ILE 94 1.952 -6.872 2.459 668 HG22 ILE 94 2HG2 ILE 94 1.585 -7.704 0.949 669 HG23 ILE 94 3HG2 ILE 94 2.501 -6.197 0.924 670 HD11 ILE 94 1HD1 ILE 94 2.090 -4.266 0.491 671 HD12 ILE 94 2HD1 ILE 94 1.153 -2.822 0.877 672 HD13 ILE 94 3HD1 ILE 94 2.352 -3.428 2.020 673 H ARG 95 H ARG 95 1.900 -6.890 -1.461 674 HA ARG 95 HA ARG 95 0.372 -9.341 -2.043 675 HB2 ARG 95 1HB ARG 95 0.791 -8.210 -4.100 676 HB3 ARG 95 2HB ARG 95 2.468 -7.906 -3.667 677 HG2 ARG 95 1HG ARG 95 2.768 -9.646 -5.088 678 HG3 ARG 95 2HG ARG 95 2.544 -10.549 -3.589 679 HD2 ARG 95 1HD ARG 95 0.219 -9.866 -5.353 680 HD3 ARG 95 2HD ARG 95 1.224 -11.277 -5.679 681 HE ARG 95 HE ARG 95 -0.655 -10.935 -3.507 682 HH11 ARG 95 2HH1 ARG 95 2.043 -12.737 -4.769 683 HH12 ARG 95 1HH1 ARG 95 1.728 -14.138 -3.800 684 HH21 ARG 95 2HH2 ARG 95 -1.080 -12.774 -2.225 685 HH22 ARG 95 1HH2 ARG 95 -0.049 -14.158 -2.354 686 H ARG 96 H ARG 96 1.308 -11.308 -1.668 687 HA ARG 96 HA ARG 96 3.762 -11.262 -0.072 688 HB2 ARG 96 1HB ARG 96 1.500 -12.403 0.606 689 HB3 ARG 96 2HB ARG 96 2.064 -13.701 -0.437 690 HG2 ARG 96 1HG ARG 96 2.893 -14.419 1.553 691 HG3 ARG 96 2HG ARG 96 4.256 -13.440 1.006 692 HD2 ARG 96 1HD ARG 96 3.865 -12.853 3.268 693 HD3 ARG 96 2HD ARG 96 3.249 -11.523 2.289 694 HE ARG 96 HE ARG 96 1.106 -12.035 2.973 695 HH11 ARG 96 2HH1 ARG 96 3.319 -14.522 3.990 696 HH12 ARG 96 1HH1 ARG 96 2.176 -15.290 5.043 697 HH21 ARG 96 2HH2 ARG 96 -0.407 -13.037 4.355 698 HH22 ARG 96 1HH2 ARG 96 0.057 -14.445 5.249 699 HA PRO 97 HA PRO 97 5.800 -12.763 -3.781 700 HB2 PRO 97 1HB PRO 97 8.307 -12.594 -2.752 701 HB3 PRO 97 2HB PRO 97 7.425 -11.192 -3.367 702 HG2 PRO 97 1HG PRO 97 7.782 -12.113 -0.542 703 HG3 PRO 97 2HG PRO 97 7.873 -10.470 -1.203 704 HD2 PRO 97 1HD PRO 97 5.681 -11.405 0.084 705 HD3 PRO 97 2HD PRO 97 5.581 -10.223 -1.237 706 H LEU 98 H LEU 98 7.795 -14.384 -3.938 707 HA LEU 98 HA LEU 98 6.855 -16.868 -2.944 708 HB2 LEU 98 1HB LEU 98 8.185 -16.380 -5.079 709 HB3 LEU 98 2HB LEU 98 9.609 -16.392 -4.041 710 HG LEU 98 HG LEU 98 9.218 -18.524 -5.253 711 HD11 LEU 98 1HD1 LEU 98 8.848 -19.259 -2.422 712 HD12 LEU 98 2HD1 LEU 98 10.169 -18.145 -2.771 713 HD13 LEU 98 3HD1 LEU 98 10.112 -19.719 -3.563 714 HD21 LEU 98 1HD2 LEU 98 7.346 -19.789 -5.026 715 HD22 LEU 98 2HD2 LEU 98 6.620 -18.200 -4.782 716 HD23 LEU 98 3HD2 LEU 98 7.016 -19.213 -3.392 717 H SER 99 H SER 99 7.066 -17.573 -0.935 718 HA SER 99 HA SER 99 9.238 -16.577 0.739 719 HB2 SER 99 1HB SER 99 6.805 -18.250 1.409 720 HB3 SER 99 2HB SER 99 7.996 -17.697 2.586 721 HG SER 99 HG SER 99 5.934 -16.403 2.077 722 H GLY 100 H GLY 100 10.981 -17.717 -0.199 723 HA2 GLY 100 1HA GLY 100 11.022 -20.577 0.534 724 HA3 GLY 100 2HA GLY 100 11.667 -20.021 -1.003 725 HA PRO 101 HA PRO 101 14.935 -20.028 2.425 726 HB2 PRO 101 1HB PRO 101 16.446 -22.067 1.462 727 HB3 PRO 101 2HB PRO 101 15.119 -22.311 2.603 728 HG2 PRO 101 1HG PRO 101 15.152 -22.672 -0.368 729 HG3 PRO 101 2HG PRO 101 14.430 -23.708 0.876 730 HD2 PRO 101 1HD PRO 101 12.969 -21.972 -0.600 731 HD3 PRO 101 2HD PRO 101 12.560 -22.377 1.079 732 H SER 102 H SER 102 16.275 -18.396 2.002 733 HA SER 102 HA SER 102 17.917 -18.500 -0.421 734 HB2 SER 102 1HB SER 102 16.400 -16.041 0.486 735 HB3 SER 102 2HB SER 102 17.546 -16.105 -0.852 736 HG SER 102 HG SER 102 14.967 -16.616 -0.925 737 H SER 103 H SER 103 19.892 -18.706 0.418 738 HA SER 103 HA SER 103 20.649 -17.623 2.945 739 HB2 SER 103 1HB SER 103 22.812 -18.564 2.520 740 HB3 SER 103 2HB SER 103 21.621 -19.701 1.888 741 HG SER 103 HG SER 103 23.338 -19.331 0.414 742 H GLY 104 H GLY 104 22.846 -16.358 3.008 743 HA2 GLY 104 1HA GLY 104 23.631 -14.184 2.849 744 HA3 GLY 104 2HA GLY 104 23.814 -14.646 1.163 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -14.590 -0.227 -2.425 2 HA2 GLY 1 1HA GLY 1 -16.094 -0.795 -4.260 3 HA3 GLY 1 2HA GLY 1 -14.900 -0.123 -5.360 4 H SER 2 H SER 2 -15.126 -2.629 -2.834 5 HA SER 2 HA SER 2 -13.063 -4.202 -4.082 6 HB2 SER 2 1HB SER 2 -14.840 -4.583 -1.684 7 HB3 SER 2 2HB SER 2 -13.842 -5.904 -2.291 8 HG SER 2 HG SER 2 -12.899 -3.340 -1.516 9 H SER 3 H SER 3 -13.934 -4.586 -6.160 10 HA SER 3 HA SER 3 -16.360 -6.210 -6.313 11 HB2 SER 3 1HB SER 3 -16.444 -5.686 -8.608 12 HB3 SER 3 2HB SER 3 -15.859 -4.204 -7.854 13 HG SER 3 HG SER 3 -14.278 -6.188 -9.129 14 H GLY 4 H GLY 4 -16.207 -7.960 -8.138 15 HA2 GLY 4 1HA GLY 4 -14.994 -9.736 -9.123 16 HA3 GLY 4 2HA GLY 4 -13.642 -9.370 -8.061 17 H SER 5 H SER 5 -14.266 -11.947 -8.308 18 HA SER 5 HA SER 5 -16.016 -12.666 -6.074 19 HB2 SER 5 1HB SER 5 -15.947 -14.925 -6.938 20 HB3 SER 5 2HB SER 5 -16.286 -13.824 -8.274 21 HG SER 5 HG SER 5 -14.404 -14.278 -9.143 22 H SER 6 H SER 6 -15.311 -13.714 -4.263 23 HA SER 6 HA SER 6 -12.392 -14.022 -3.984 24 HB2 SER 6 1HB SER 6 -14.438 -12.847 -2.152 25 HB3 SER 6 2HB SER 6 -13.063 -13.690 -1.439 26 HG SER 6 HG SER 6 -12.572 -11.818 -3.456 27 H GLY 7 H GLY 7 -11.939 -15.468 -1.934 28 HA2 GLY 7 1HA GLY 7 -13.548 -17.428 -0.965 29 HA3 GLY 7 2HA GLY 7 -13.099 -18.036 -2.551 30 H GLN 8 H GLN 8 -10.460 -17.066 -2.660 31 HA GLN 8 HA GLN 8 -9.202 -18.933 -0.801 32 HB2 GLN 8 1HB GLN 8 -8.189 -17.555 -3.289 33 HB3 GLN 8 2HB GLN 8 -7.184 -18.573 -2.266 34 HG2 GLN 8 1HG GLN 8 -9.560 -19.372 -3.915 35 HG3 GLN 8 2HG GLN 8 -7.890 -19.916 -4.066 36 HE21 GLN 8 1HE2 GLN 8 -10.884 -20.729 -2.964 37 HE22 GLN 8 2HE2 GLN 8 -10.448 -21.958 -1.831 38 H ALA 9 H ALA 9 -8.733 -15.601 -1.967 39 HA ALA 9 HA ALA 9 -7.904 -13.743 -0.944 40 HB1 ALA 9 1HB ALA 9 -7.855 -15.114 1.707 41 HB2 ALA 9 2HB ALA 9 -8.261 -13.443 1.312 42 HB3 ALA 9 3HB ALA 9 -9.401 -14.738 0.946 43 H SER 10 H SER 10 -6.097 -15.439 -2.148 44 HA SER 10 HA SER 10 -3.788 -15.403 -0.320 45 HB2 SER 10 1HB SER 10 -4.565 -17.222 -2.562 46 HB3 SER 10 2HB SER 10 -2.851 -16.969 -2.235 47 HG SER 10 HG SER 10 -3.652 -17.426 0.077 48 H GLY 11 H GLY 11 -4.688 -14.893 -3.730 49 HA2 GLY 11 1HA GLY 11 -2.364 -13.830 -4.719 50 HA3 GLY 11 2HA GLY 11 -3.962 -13.311 -5.236 51 H HIS 12 H HIS 12 -4.832 -11.407 -4.433 52 HA HIS 12 HA HIS 12 -2.906 -9.688 -3.019 53 HB2 HIS 12 1HB HIS 12 -5.241 -8.556 -4.497 54 HB3 HIS 12 2HB HIS 12 -3.640 -7.870 -4.239 55 HD1 HIS 12 1HD HIS 12 -5.624 -9.178 -6.846 56 HD2 HIS 12 2HD HIS 12 -1.626 -9.574 -5.790 57 HE1 HIS 12 1HE HIS 12 -4.452 -9.950 -8.932 58 HE2 HIS 12 2HE HIS 12 -2.049 -10.266 -8.246 59 H PHE 13 H PHE 13 -3.707 -8.200 -1.442 60 HA PHE 13 HA PHE 13 -6.408 -8.596 -0.448 61 HB2 PHE 13 1HB PHE 13 -5.700 -9.167 1.814 62 HB3 PHE 13 2HB PHE 13 -5.094 -10.363 0.672 63 HD1 PHE 13 2HD PHE 13 -4.171 -7.518 2.812 64 HD2 PHE 13 1HD PHE 13 -2.763 -10.678 0.332 65 HE1 PHE 13 2HE PHE 13 -1.889 -7.163 3.660 66 HE2 PHE 13 1HE PHE 13 -0.479 -10.329 1.178 67 HZ PHE 13 HZ PHE 13 -0.039 -8.569 2.843 68 H SER 14 H SER 14 -6.844 -7.121 1.449 69 HA SER 14 HA SER 14 -5.311 -4.624 1.129 70 HB2 SER 14 1HB SER 14 -8.251 -4.902 1.796 71 HB3 SER 14 2HB SER 14 -7.373 -3.392 1.556 72 HG SER 14 HG SER 14 -7.269 -5.276 -0.494 73 H VAL 15 H VAL 15 -5.428 -3.156 3.032 74 HA VAL 15 HA VAL 15 -5.444 -4.705 5.542 75 HB VAL 15 HB VAL 15 -3.655 -2.403 4.755 76 HG11 VAL 15 1HG1 VAL 15 -3.733 -1.900 6.944 77 HG12 VAL 15 2HG1 VAL 15 -4.413 -3.468 7.384 78 HG13 VAL 15 3HG1 VAL 15 -2.677 -3.301 7.121 79 HG21 VAL 15 1HG2 VAL 15 -2.158 -3.941 4.181 80 HG22 VAL 15 2HG2 VAL 15 -2.324 -4.747 5.741 81 HG23 VAL 15 3HG2 VAL 15 -3.396 -5.176 4.408 82 H GLU 16 H GLU 16 -6.683 -3.981 7.162 83 HA GLU 16 HA GLU 16 -7.900 -1.313 6.869 84 HB2 GLU 16 1HB GLU 16 -9.480 -3.219 6.579 85 HB3 GLU 16 2HB GLU 16 -9.107 -3.733 8.218 86 HG2 GLU 16 1HG GLU 16 -9.915 -1.502 9.008 87 HG3 GLU 16 2HG GLU 16 -10.466 -1.193 7.363 88 H LEU 17 H LEU 17 -7.137 0.075 8.310 89 HA LEU 17 HA LEU 17 -6.687 -0.854 11.062 90 HB2 LEU 17 1HB LEU 17 -4.882 0.935 9.443 91 HB3 LEU 17 2HB LEU 17 -4.732 0.682 11.181 92 HG LEU 17 HG LEU 17 -4.503 -1.540 9.159 93 HD11 LEU 17 1HD1 LEU 17 -2.760 0.129 8.755 94 HD12 LEU 17 2HD1 LEU 17 -2.092 -1.361 9.421 95 HD13 LEU 17 3HD1 LEU 17 -2.295 0.054 10.455 96 HD21 LEU 17 1HD2 LEU 17 -4.620 -1.417 12.022 97 HD22 LEU 17 2HD2 LEU 17 -3.051 -2.039 11.509 98 HD23 LEU 17 3HD2 LEU 17 -4.533 -2.827 10.966 99 H VAL 18 H VAL 18 -6.750 0.871 12.670 100 HA VAL 18 HA VAL 18 -8.522 3.067 11.822 101 HB VAL 18 HB VAL 18 -8.296 1.749 14.531 102 HG11 VAL 18 1HG1 VAL 18 -8.821 3.963 15.021 103 HG12 VAL 18 2HG1 VAL 18 -9.815 4.150 13.575 104 HG13 VAL 18 3HG1 VAL 18 -10.400 3.183 14.929 105 HG21 VAL 18 1HG2 VAL 18 -10.374 0.749 14.119 106 HG22 VAL 18 2HG2 VAL 18 -10.705 1.794 12.737 107 HG23 VAL 18 3HG2 VAL 18 -9.479 0.532 12.615 108 H ARG 19 H ARG 19 -7.667 5.030 11.861 109 HA ARG 19 HA ARG 19 -5.146 5.770 12.473 110 HB2 ARG 19 1HB ARG 19 -7.238 7.141 11.599 111 HB3 ARG 19 2HB ARG 19 -7.291 7.685 13.271 112 HG2 ARG 19 1HG ARG 19 -5.126 8.639 13.122 113 HG3 ARG 19 2HG ARG 19 -4.824 7.867 11.564 114 HD2 ARG 19 1HD ARG 19 -6.327 9.280 10.448 115 HD3 ARG 19 2HD ARG 19 -7.086 9.800 11.952 116 HE ARG 19 HE ARG 19 -4.692 10.861 10.755 117 HH11 ARG 19 2HH1 ARG 19 -6.520 10.492 13.694 118 HH12 ARG 19 1HH1 ARG 19 -5.803 11.867 14.467 119 HH21 ARG 19 2HH2 ARG 19 -3.740 12.673 11.762 120 HH22 ARG 19 1HH2 ARG 19 -4.222 13.107 13.367 121 H GLY 20 H GLY 20 -3.907 5.854 14.229 122 HA2 GLY 20 1HA GLY 20 -5.204 5.604 16.854 123 HA3 GLY 20 2HA GLY 20 -3.538 5.180 16.491 124 H TYR 21 H TYR 21 -2.074 6.524 17.280 125 HA TYR 21 HA TYR 21 -2.825 9.045 18.402 126 HB2 TYR 21 1HB TYR 21 -0.955 7.376 19.144 127 HB3 TYR 21 2HB TYR 21 0.028 8.231 17.961 128 HD1 TYR 21 1HD TYR 21 -1.781 8.530 21.148 129 HD2 TYR 21 2HD TYR 21 0.770 10.487 18.361 130 HE1 TYR 21 1HE TYR 21 -1.312 10.278 22.814 131 HE2 TYR 21 2HE TYR 21 1.246 12.240 20.019 132 HH TYR 21 HH TYR 21 -0.415 12.328 23.129 133 H ALA 22 H ALA 22 -3.662 10.026 16.431 134 HA ALA 22 HA ALA 22 -3.540 11.343 14.568 135 HB1 ALA 22 1HB ALA 22 -1.966 12.412 16.577 136 HB2 ALA 22 2HB ALA 22 -0.945 12.500 15.141 137 HB3 ALA 22 3HB ALA 22 -2.541 13.250 15.136 138 H GLY 23 H GLY 23 -2.739 8.808 13.948 139 HA2 GLY 23 1HA GLY 23 -1.565 8.930 11.523 140 HA3 GLY 23 2HA GLY 23 -0.177 8.878 12.600 141 H PHE 24 H PHE 24 -0.375 6.894 10.825 142 HA PHE 24 HA PHE 24 -1.645 4.627 12.177 143 HB2 PHE 24 1HB PHE 24 -0.547 5.012 9.397 144 HB3 PHE 24 2HB PHE 24 -0.950 3.417 10.024 145 HD1 PHE 24 1HD PHE 24 -3.303 2.921 10.683 146 HD2 PHE 24 2HD PHE 24 -2.214 6.480 8.618 147 HE1 PHE 24 1HE PHE 24 -5.651 3.255 10.027 148 HE2 PHE 24 2HE PHE 24 -4.560 6.820 7.960 149 HZ PHE 24 HZ PHE 24 -6.282 5.207 8.665 150 H GLY 25 H GLY 25 1.469 5.946 11.326 151 HA2 GLY 25 1HA GLY 25 3.504 5.446 12.355 152 HA3 GLY 25 2HA GLY 25 2.755 4.043 13.102 153 H LEU 26 H LEU 26 2.518 4.635 9.673 154 HA LEU 26 HA LEU 26 4.283 2.323 9.216 155 HB2 LEU 26 1HB LEU 26 1.855 2.083 8.629 156 HB3 LEU 26 2HB LEU 26 2.097 3.328 7.405 157 HG LEU 26 HG LEU 26 3.841 1.792 6.388 158 HD11 LEU 26 1HD1 LEU 26 2.463 -0.331 8.006 159 HD12 LEU 26 2HD1 LEU 26 3.997 0.390 8.492 160 HD13 LEU 26 3HD1 LEU 26 3.880 -0.489 6.968 161 HD21 LEU 26 1HD2 LEU 26 1.992 1.826 5.078 162 HD22 LEU 26 2HD2 LEU 26 0.904 1.431 6.408 163 HD23 LEU 26 3HD2 LEU 26 1.862 0.161 5.645 164 H THR 27 H THR 27 6.033 2.565 7.970 165 HA THR 27 HA THR 27 6.291 5.055 6.414 166 HB THR 27 HB THR 27 8.675 3.676 7.613 167 HG1 THR 27 1HG THR 27 7.127 4.240 9.295 168 HG21 THR 27 1HG2 THR 27 8.307 6.614 7.141 169 HG22 THR 27 2HG2 THR 27 8.721 5.537 5.807 170 HG23 THR 27 3HG2 THR 27 9.796 5.672 7.198 171 H LEU 28 H LEU 28 6.579 4.738 4.312 172 HA LEU 28 HA LEU 28 7.235 2.075 3.339 173 HB2 LEU 28 1HB LEU 28 6.030 4.530 2.192 174 HB3 LEU 28 2HB LEU 28 6.892 3.459 1.089 175 HG LEU 28 HG LEU 28 4.739 2.393 2.880 176 HD11 LEU 28 1HD1 LEU 28 3.126 2.769 1.079 177 HD12 LEU 28 2HD1 LEU 28 4.340 3.683 0.185 178 HD13 LEU 28 3HD1 LEU 28 3.742 4.288 1.729 179 HD21 LEU 28 1HD2 LEU 28 5.963 1.570 0.256 180 HD22 LEU 28 2HD2 LEU 28 4.508 0.830 0.923 181 HD23 LEU 28 3HD2 LEU 28 6.035 0.722 1.800 182 H GLY 29 H GLY 29 9.109 1.506 2.386 183 HA2 GLY 29 1HA GLY 29 11.180 3.597 2.188 184 HA3 GLY 29 2HA GLY 29 11.499 1.895 2.487 185 H GLY 30 H GLY 30 12.331 3.907 0.344 186 HA2 GLY 30 1HA GLY 30 13.096 3.505 -1.818 187 HA3 GLY 30 2HA GLY 30 12.160 2.017 -1.844 188 H GLY 31 H GLY 31 10.758 2.066 -3.467 189 HA2 GLY 31 1HA GLY 31 8.785 2.770 -4.515 190 HA3 GLY 31 2HA GLY 31 8.906 4.302 -3.663 191 H ARG 32 H ARG 32 8.237 4.947 -5.948 192 HA ARG 32 HA ARG 32 10.424 4.993 -7.861 193 HB2 ARG 32 1HB ARG 32 8.286 4.593 -8.824 194 HB3 ARG 32 2HB ARG 32 7.566 5.944 -7.959 195 HG2 ARG 32 1HG ARG 32 8.457 7.512 -9.386 196 HG3 ARG 32 2HG ARG 32 9.777 6.456 -9.891 197 HD2 ARG 32 1HD ARG 32 8.035 5.010 -11.003 198 HD3 ARG 32 2HD ARG 32 6.877 6.300 -10.684 199 HE ARG 32 HE ARG 32 9.151 7.324 -12.019 200 HH11 ARG 32 2HH1 ARG 32 6.288 5.416 -12.554 201 HH12 ARG 32 1HH1 ARG 32 6.160 5.841 -14.229 202 HH21 ARG 32 2HH2 ARG 32 8.993 7.890 -14.223 203 HH22 ARG 32 1HH2 ARG 32 7.700 7.247 -15.177 204 H ASP 33 H ASP 33 11.976 6.442 -7.508 205 HA ASP 33 HA ASP 33 11.173 9.183 -6.777 206 HB2 ASP 33 1HB ASP 33 13.593 7.593 -5.925 207 HB3 ASP 33 2HB ASP 33 13.504 9.345 -5.762 208 H VAL 34 H VAL 34 12.605 10.887 -7.565 209 HA VAL 34 HA VAL 34 13.006 10.839 -10.289 210 HB VAL 34 HB VAL 34 12.949 12.936 -9.117 211 HG11 VAL 34 1HG1 VAL 34 14.363 13.597 -7.433 212 HG12 VAL 34 2HG1 VAL 34 14.295 11.859 -7.136 213 HG13 VAL 34 3HG1 VAL 34 15.678 12.557 -7.980 214 HG21 VAL 34 1HG2 VAL 34 15.746 13.096 -10.006 215 HG22 VAL 34 2HG2 VAL 34 14.629 12.386 -11.172 216 HG23 VAL 34 3HG2 VAL 34 14.331 14.005 -10.538 217 H ALA 35 H ALA 35 15.335 10.124 -7.721 218 HA ALA 35 HA ALA 35 17.126 9.000 -9.775 219 HB1 ALA 35 1HB ALA 35 17.841 11.163 -8.506 220 HB2 ALA 35 2HB ALA 35 18.210 10.040 -7.196 221 HB3 ALA 35 3HB ALA 35 19.005 9.862 -8.760 222 H GLY 36 H GLY 36 14.972 7.881 -7.916 223 HA2 GLY 36 1HA GLY 36 16.557 5.579 -7.063 224 HA3 GLY 36 2HA GLY 36 15.636 6.416 -5.822 225 H ASP 37 H ASP 37 15.339 4.710 -8.907 226 HA ASP 37 HA ASP 37 12.485 4.383 -8.586 227 HB2 ASP 37 1HB ASP 37 12.621 3.101 -10.684 228 HB3 ASP 37 2HB ASP 37 13.416 4.666 -10.828 229 H THR 38 H THR 38 11.634 2.897 -7.304 230 HA THR 38 HA THR 38 12.540 0.173 -7.358 231 HB THR 38 HB THR 38 12.684 0.252 -4.716 232 HG1 THR 38 1HG THR 38 13.971 2.269 -4.272 233 HG21 THR 38 1HG2 THR 38 15.196 1.255 -5.853 234 HG22 THR 38 2HG2 THR 38 14.484 -0.093 -6.740 235 HG23 THR 38 3HG2 THR 38 14.853 -0.264 -5.025 236 HA PRO 39 HA PRO 39 8.316 -0.541 -6.382 237 HB2 PRO 39 1HB PRO 39 8.473 -2.994 -5.229 238 HB3 PRO 39 2HB PRO 39 8.685 -2.733 -6.965 239 HG2 PRO 39 1HG PRO 39 10.759 -3.087 -4.835 240 HG3 PRO 39 2HG PRO 39 10.697 -3.785 -6.464 241 HD2 PRO 39 1HD PRO 39 12.230 -1.637 -5.856 242 HD3 PRO 39 2HD PRO 39 11.491 -1.861 -7.454 243 H LEU 40 H LEU 40 7.221 0.464 -4.825 244 HA LEU 40 HA LEU 40 8.131 1.120 -2.304 245 HB2 LEU 40 1HB LEU 40 5.450 0.935 -3.566 246 HB3 LEU 40 2HB LEU 40 5.520 1.111 -1.814 247 HG LEU 40 HG LEU 40 6.846 3.020 -3.733 248 HD11 LEU 40 1HD1 LEU 40 4.225 2.750 -3.749 249 HD12 LEU 40 2HD1 LEU 40 4.985 4.340 -3.793 250 HD13 LEU 40 3HD1 LEU 40 4.349 3.710 -2.274 251 HD21 LEU 40 1HD2 LEU 40 7.279 4.359 -1.904 252 HD22 LEU 40 2HD2 LEU 40 7.533 2.746 -1.239 253 HD23 LEU 40 3HD2 LEU 40 6.025 3.604 -0.920 254 H ALA 41 H ALA 41 8.202 0.155 -0.354 255 HA ALA 41 HA ALA 41 6.649 -2.195 0.247 256 HB1 ALA 41 1HB ALA 41 8.356 -3.781 0.433 257 HB2 ALA 41 2HB ALA 41 8.677 -2.975 -1.103 258 HB3 ALA 41 3HB ALA 41 9.626 -2.561 0.325 259 H VAL 42 H VAL 42 6.243 -2.293 2.374 260 HA VAL 42 HA VAL 42 6.645 -0.337 4.166 261 HB VAL 42 HB VAL 42 6.660 -3.291 4.796 262 HG11 VAL 42 1HG1 VAL 42 7.097 -1.045 6.505 263 HG12 VAL 42 2HG1 VAL 42 5.548 -1.789 6.909 264 HG13 VAL 42 3HG1 VAL 42 7.022 -2.757 6.920 265 HG21 VAL 42 1HG2 VAL 42 4.588 -3.069 3.929 266 HG22 VAL 42 2HG2 VAL 42 4.223 -2.389 5.515 267 HG23 VAL 42 3HG2 VAL 42 4.564 -1.320 4.155 268 H ARG 43 H ARG 43 8.255 0.531 5.318 269 HA ARG 43 HA ARG 43 10.891 -0.753 5.165 270 HB2 ARG 43 1HB ARG 43 10.374 1.687 4.375 271 HB3 ARG 43 2HB ARG 43 10.463 2.064 6.090 272 HG2 ARG 43 1HG ARG 43 12.674 0.561 4.753 273 HG3 ARG 43 2HG ARG 43 12.573 2.318 4.630 274 HD2 ARG 43 1HD ARG 43 12.344 2.256 7.200 275 HD3 ARG 43 2HD ARG 43 12.972 0.614 7.062 276 HE ARG 43 HE ARG 43 14.754 2.086 5.652 277 HH11 ARG 43 2HH1 ARG 43 13.440 2.338 8.866 278 HH12 ARG 43 1HH1 ARG 43 14.862 3.070 9.531 279 HH21 ARG 43 2HH2 ARG 43 16.632 3.050 6.516 280 HH22 ARG 43 1HH2 ARG 43 16.677 3.476 8.193 281 H GLY 44 H GLY 44 9.337 1.449 7.504 282 HA2 GLY 44 1HA GLY 44 10.303 -0.346 9.645 283 HA3 GLY 44 2HA GLY 44 10.291 1.405 9.792 284 H LEU 45 H LEU 45 9.004 -0.684 11.442 285 HA LEU 45 HA LEU 45 6.185 0.084 11.075 286 HB2 LEU 45 1HB LEU 45 7.504 -2.359 12.169 287 HB3 LEU 45 2HB LEU 45 5.902 -1.910 12.749 288 HG LEU 45 HG LEU 45 6.522 -2.315 9.832 289 HD11 LEU 45 1HD1 LEU 45 7.017 -4.414 10.760 290 HD12 LEU 45 2HD1 LEU 45 5.348 -4.538 10.206 291 HD13 LEU 45 3HD1 LEU 45 5.692 -4.308 11.920 292 HD21 LEU 45 1HD2 LEU 45 3.882 -2.946 10.398 293 HD22 LEU 45 2HD2 LEU 45 4.472 -1.469 9.635 294 HD23 LEU 45 3HD2 LEU 45 4.208 -1.517 11.378 295 H LEU 46 H LEU 46 5.870 1.868 12.274 296 HA LEU 46 HA LEU 46 7.205 2.654 14.561 297 HB2 LEU 46 1HB LEU 46 5.477 3.894 13.085 298 HB3 LEU 46 2HB LEU 46 4.288 3.226 14.201 299 HG LEU 46 HG LEU 46 4.777 5.465 14.873 300 HD11 LEU 46 1HD1 LEU 46 6.412 3.899 16.813 301 HD12 LEU 46 2HD1 LEU 46 4.715 3.482 16.573 302 HD13 LEU 46 3HD1 LEU 46 5.158 5.103 17.109 303 HD21 LEU 46 1HD2 LEU 46 7.683 4.705 15.091 304 HD22 LEU 46 2HD2 LEU 46 6.964 6.300 15.312 305 HD23 LEU 46 3HD2 LEU 46 6.996 5.562 13.711 306 H LYS 47 H LYS 47 7.490 1.380 16.283 307 HA LYS 47 HA LYS 47 5.739 -0.611 17.180 308 HB2 LYS 47 1HB LYS 47 8.248 -0.133 17.752 309 HB3 LYS 47 2HB LYS 47 7.576 0.819 19.069 310 HG2 LYS 47 1HG LYS 47 6.616 -1.971 18.698 311 HG3 LYS 47 2HG LYS 47 8.215 -1.704 19.396 312 HD2 LYS 47 1HD LYS 47 7.373 -0.691 21.280 313 HD3 LYS 47 2HD LYS 47 5.900 -0.158 20.465 314 HE2 LYS 47 1HE LYS 47 6.361 -3.080 20.782 315 HE3 LYS 47 2HE LYS 47 5.890 -2.152 22.205 316 HZ1 LYS 47 1HZ LYS 47 4.396 -2.416 19.657 317 HZ2 LYS 47 2HZ LYS 47 3.988 -1.304 20.864 318 HZ3 LYS 47 3HZ LYS 47 3.925 -2.964 21.187 319 H ASP 48 H ASP 48 4.292 -0.699 18.915 320 HA ASP 48 HA ASP 48 2.739 0.045 20.414 321 HB2 ASP 48 1HB ASP 48 4.727 1.486 21.201 322 HB3 ASP 48 2HB ASP 48 3.960 2.795 20.305 323 H GLY 49 H GLY 49 2.574 0.336 17.444 324 HA2 GLY 49 1HA GLY 49 0.473 2.415 17.368 325 HA3 GLY 49 2HA GLY 49 1.504 2.038 15.996 326 HA PRO 50 HA PRO 50 -2.531 -0.419 15.901 327 HB2 PRO 50 1HB PRO 50 -3.578 0.748 13.684 328 HB3 PRO 50 2HB PRO 50 -3.874 1.352 15.319 329 HG2 PRO 50 1HG PRO 50 -1.926 2.323 13.264 330 HG3 PRO 50 2HG PRO 50 -2.982 3.261 14.335 331 HD2 PRO 50 1HD PRO 50 -0.349 2.887 14.847 332 HD3 PRO 50 2HD PRO 50 -1.560 3.041 16.136 333 H ALA 51 H ALA 51 -0.241 0.644 13.445 334 HA ALA 51 HA ALA 51 -0.824 -1.408 11.564 335 HB1 ALA 51 1HB ALA 51 0.289 0.734 10.993 336 HB2 ALA 51 2HB ALA 51 1.729 0.170 11.842 337 HB3 ALA 51 3HB ALA 51 1.157 -0.686 10.410 338 H GLN 52 H GLN 52 2.048 -0.956 13.640 339 HA GLN 52 HA GLN 52 3.170 -3.462 13.209 340 HB2 GLN 52 1HB GLN 52 4.409 -1.657 14.266 341 HB3 GLN 52 2HB GLN 52 3.333 -1.697 15.657 342 HG2 GLN 52 1HG GLN 52 5.353 -2.793 16.258 343 HG3 GLN 52 2HG GLN 52 4.097 -4.020 16.102 344 HE21 GLN 52 1HE2 GLN 52 7.026 -2.727 14.780 345 HE22 GLN 52 2HE2 GLN 52 7.350 -4.024 13.686 346 H ARG 53 H ARG 53 0.890 -2.416 15.715 347 HA ARG 53 HA ARG 53 0.801 -4.788 17.185 348 HB2 ARG 53 1HB ARG 53 -1.121 -2.526 16.776 349 HB3 ARG 53 2HB ARG 53 -1.627 -3.947 17.679 350 HG2 ARG 53 1HG ARG 53 0.453 -3.579 19.103 351 HG3 ARG 53 2HG ARG 53 0.543 -1.989 18.343 352 HD2 ARG 53 1HD ARG 53 -0.667 -1.563 20.273 353 HD3 ARG 53 2HD ARG 53 -1.930 -1.768 19.060 354 HE ARG 53 HE ARG 53 -1.308 -4.217 20.382 355 HH11 ARG 53 2HH1 ARG 53 -3.071 -1.232 20.694 356 HH12 ARG 53 1HH1 ARG 53 -4.245 -1.888 21.787 357 HH21 ARG 53 2HH2 ARG 53 -2.847 -5.093 21.820 358 HH22 ARG 53 1HH2 ARG 53 -4.116 -4.084 22.427 359 H CYS 54 H CYS 54 -0.856 -3.842 14.238 360 HA CYS 54 HA CYS 54 -2.719 -5.970 14.179 361 HB2 CYS 54 1HB CYS 54 -2.649 -3.766 12.796 362 HB3 CYS 54 2HB CYS 54 -1.632 -4.684 11.693 363 HG CYS 54 HG CYS 54 -4.618 -6.012 12.597 364 H GLY 55 H GLY 55 0.572 -5.610 12.970 365 HA2 GLY 55 1HA GLY 55 2.115 -7.277 12.507 366 HA3 GLY 55 2HA GLY 55 0.878 -8.474 12.861 367 H ARG 56 H ARG 56 -1.083 -7.653 11.029 368 HA ARG 56 HA ARG 56 -0.683 -9.106 8.827 369 HB2 ARG 56 1HB ARG 56 -2.031 -6.401 8.883 370 HB3 ARG 56 2HB ARG 56 -2.209 -7.580 7.591 371 HG2 ARG 56 1HG ARG 56 -3.051 -9.181 9.375 372 HG3 ARG 56 2HG ARG 56 -3.164 -7.769 10.427 373 HD2 ARG 56 1HD ARG 56 -4.836 -6.795 9.155 374 HD3 ARG 56 2HD ARG 56 -4.410 -7.713 7.711 375 HE ARG 56 HE ARG 56 -5.317 -9.447 9.754 376 HH11 ARG 56 2HH1 ARG 56 -6.453 -7.101 7.446 377 HH12 ARG 56 1HH1 ARG 56 -8.031 -7.803 7.314 378 HH21 ARG 56 2HH2 ARG 56 -7.391 -10.380 9.588 379 HH22 ARG 56 1HH2 ARG 56 -8.564 -9.668 8.533 380 H LEU 57 H LEU 57 0.560 -5.842 9.304 381 HA LEU 57 HA LEU 57 1.888 -5.937 6.697 382 HB2 LEU 57 1HB LEU 57 1.276 -3.769 8.659 383 HB3 LEU 57 2HB LEU 57 2.567 -3.545 7.481 384 HG LEU 57 HG LEU 57 -0.243 -4.245 6.669 385 HD11 LEU 57 1HD1 LEU 57 -0.848 -2.021 6.538 386 HD12 LEU 57 2HD1 LEU 57 0.821 -1.453 6.600 387 HD13 LEU 57 3HD1 LEU 57 0.045 -2.073 8.058 388 HD21 LEU 57 1HD2 LEU 57 1.258 -4.642 4.909 389 HD22 LEU 57 2HD2 LEU 57 2.200 -3.196 5.271 390 HD23 LEU 57 3HD2 LEU 57 0.584 -3.046 4.579 391 H GLU 58 H GLU 58 4.016 -6.261 6.471 392 HA GLU 58 HA GLU 58 5.763 -5.975 8.804 393 HB2 GLU 58 1HB GLU 58 5.726 -8.422 7.030 394 HB3 GLU 58 2HB GLU 58 6.835 -8.127 8.362 395 HG2 GLU 58 1HG GLU 58 5.041 -8.242 9.953 396 HG3 GLU 58 2HG GLU 58 3.851 -8.367 8.659 397 H VAL 59 H VAL 59 7.989 -5.695 8.297 398 HA VAL 59 HA VAL 59 8.515 -4.050 6.114 399 HB VAL 59 HB VAL 59 10.572 -5.707 7.575 400 HG11 VAL 59 1HG1 VAL 59 11.766 -3.361 7.081 401 HG12 VAL 59 2HG1 VAL 59 11.823 -4.724 5.962 402 HG13 VAL 59 3HG1 VAL 59 10.664 -3.419 5.705 403 HG21 VAL 59 1HG2 VAL 59 10.704 -3.373 8.841 404 HG22 VAL 59 2HG2 VAL 59 8.993 -3.339 8.414 405 HG23 VAL 59 3HG2 VAL 59 9.636 -4.672 9.374 406 H GLY 60 H GLY 60 8.804 -4.450 4.024 407 HA2 GLY 60 1HA GLY 60 10.152 -5.720 2.381 408 HA3 GLY 60 2HA GLY 60 9.646 -7.171 3.235 409 H ASP 61 H ASP 61 6.900 -6.194 3.585 410 HA ASP 61 HA ASP 61 5.623 -7.404 1.495 411 HB2 ASP 61 1HB ASP 61 4.794 -5.307 3.451 412 HB3 ASP 61 2HB ASP 61 3.709 -5.675 2.112 413 H LEU 62 H LEU 62 4.807 -6.825 -0.481 414 HA LEU 62 HA LEU 62 5.931 -4.384 -1.639 415 HB2 LEU 62 1HB LEU 62 4.577 -6.677 -3.046 416 HB3 LEU 62 2HB LEU 62 5.519 -5.384 -3.784 417 HG LEU 62 HG LEU 62 6.620 -7.529 -1.970 418 HD11 LEU 62 1HD1 LEU 62 5.784 -8.054 -4.405 419 HD12 LEU 62 2HD1 LEU 62 7.314 -8.697 -3.810 420 HD13 LEU 62 3HD1 LEU 62 7.302 -7.277 -4.856 421 HD21 LEU 62 1HD2 LEU 62 8.767 -6.652 -2.446 422 HD22 LEU 62 2HD2 LEU 62 7.768 -5.285 -1.953 423 HD23 LEU 62 3HD2 LEU 62 8.125 -5.546 -3.661 424 H VAL 63 H VAL 63 4.712 -2.770 -2.500 425 HA VAL 63 HA VAL 63 1.835 -2.879 -1.937 426 HB VAL 63 HB VAL 63 3.445 -0.433 -2.656 427 HG11 VAL 63 1HG1 VAL 63 0.936 -0.476 -1.034 428 HG12 VAL 63 2HG1 VAL 63 1.607 0.817 -2.030 429 HG13 VAL 63 3HG1 VAL 63 0.849 -0.582 -2.792 430 HG21 VAL 63 1HG2 VAL 63 3.407 -1.965 -0.193 431 HG22 VAL 63 2HG2 VAL 63 4.453 -0.629 -0.675 432 HG23 VAL 63 3HG2 VAL 63 2.879 -0.299 0.051 433 H LEU 64 H LEU 64 0.455 -3.172 -3.550 434 HA LEU 64 HA LEU 64 1.371 -2.700 -6.299 435 HB2 LEU 64 1HB LEU 64 -0.958 -4.320 -5.279 436 HB3 LEU 64 2HB LEU 64 -0.486 -4.157 -6.969 437 HG LEU 64 HG LEU 64 1.784 -5.155 -6.109 438 HD11 LEU 64 1HD1 LEU 64 0.634 -5.063 -3.714 439 HD12 LEU 64 2HD1 LEU 64 1.792 -6.315 -4.160 440 HD13 LEU 64 3HD1 LEU 64 0.062 -6.652 -4.221 441 HD21 LEU 64 1HD2 LEU 64 -0.172 -6.107 -7.607 442 HD22 LEU 64 2HD2 LEU 64 -0.414 -7.154 -6.209 443 HD23 LEU 64 3HD2 LEU 64 1.142 -7.138 -7.040 444 H HIS 65 H HIS 65 -1.070 -1.822 -3.962 445 HA HIS 65 HA HIS 65 -1.782 0.496 -5.510 446 HB2 HIS 65 1HB HIS 65 -4.011 -1.425 -4.846 447 HB3 HIS 65 2HB HIS 65 -4.095 0.031 -5.833 448 HD1 HIS 65 1HD HIS 65 -2.884 -0.120 -8.209 449 HD2 HIS 65 2HD HIS 65 -3.408 -3.723 -6.208 450 HE1 HIS 65 1HE HIS 65 -2.554 -1.909 -9.946 451 HE2 HIS 65 2HE HIS 65 -2.960 -4.077 -8.731 452 H ILE 66 H ILE 66 -3.628 1.715 -4.322 453 HA ILE 66 HA ILE 66 -3.673 1.211 -1.456 454 HB ILE 66 HB ILE 66 -2.616 3.798 -2.603 455 HG12 ILE 66 1HG1 ILE 66 -1.308 1.685 -0.876 456 HG13 ILE 66 2HG1 ILE 66 -0.947 2.009 -2.568 457 HG21 ILE 66 1HG2 ILE 66 -2.432 3.499 0.266 458 HG22 ILE 66 2HG2 ILE 66 -3.097 4.823 -0.689 459 HG23 ILE 66 3HG2 ILE 66 -4.105 3.432 -0.289 460 HD11 ILE 66 1HD1 ILE 66 0.581 2.949 -0.687 461 HD12 ILE 66 2HD1 ILE 66 0.191 3.941 -2.092 462 HD13 ILE 66 3HD1 ILE 66 -0.660 4.196 -0.569 463 H ASN 67 H ASN 67 -5.631 1.618 -0.664 464 HA ASN 67 HA ASN 67 -7.892 2.065 -0.792 465 HB2 ASN 67 1HB ASN 67 -8.251 4.606 -0.810 466 HB3 ASN 67 2HB ASN 67 -7.220 3.948 0.458 467 HD21 ASN 67 1HD2 ASN 67 -5.451 5.057 0.806 468 HD22 ASN 67 2HD2 ASN 67 -4.584 5.994 -0.358 469 H GLY 68 H GLY 68 -7.424 1.010 -3.152 470 HA2 GLY 68 1HA GLY 68 -8.184 0.903 -5.315 471 HA3 GLY 68 2HA GLY 68 -9.345 2.138 -4.852 472 H GLU 69 H GLU 69 -5.853 2.538 -4.759 473 HA GLU 69 HA GLU 69 -6.090 4.469 -6.973 474 HB2 GLU 69 1HB GLU 69 -5.718 5.489 -4.709 475 HB3 GLU 69 2HB GLU 69 -4.173 4.653 -4.647 476 HG2 GLU 69 1HG GLU 69 -4.264 7.122 -5.405 477 HG3 GLU 69 2HG GLU 69 -3.230 5.983 -6.266 478 H SER 70 H SER 70 -4.968 3.931 -8.713 479 HA SER 70 HA SER 70 -3.150 1.744 -8.734 480 HB2 SER 70 1HB SER 70 -2.808 2.343 -11.112 481 HB3 SER 70 2HB SER 70 -4.518 2.266 -10.691 482 HG SER 70 HG SER 70 -3.183 4.721 -10.500 483 H THR 71 H THR 71 -1.243 1.918 -7.736 484 HA THR 71 HA THR 71 0.216 4.406 -7.659 485 HB THR 71 HB THR 71 0.230 2.892 -5.716 486 HG1 THR 71 1HG THR 71 2.398 3.177 -5.308 487 HG21 THR 71 1HG2 THR 71 0.321 0.817 -7.290 488 HG22 THR 71 2HG2 THR 71 1.136 0.757 -5.727 489 HG23 THR 71 3HG2 THR 71 2.066 1.049 -7.196 490 H GLN 72 H GLN 72 -0.237 2.527 -10.144 491 HA GLN 72 HA GLN 72 2.182 1.562 -11.068 492 HB2 GLN 72 1HB GLN 72 -0.224 2.687 -12.464 493 HB3 GLN 72 2HB GLN 72 1.191 2.201 -13.389 494 HG2 GLN 72 1HG GLN 72 -0.065 0.320 -11.436 495 HG3 GLN 72 2HG GLN 72 -0.738 0.526 -13.052 496 HE21 GLN 72 1HE2 GLN 72 2.068 -0.482 -11.226 497 HE22 GLN 72 2HE2 GLN 72 2.784 -1.430 -12.480 498 H GLY 73 H GLY 73 0.926 4.858 -11.145 499 HA2 GLY 73 1HA GLY 73 3.605 5.751 -12.012 500 HA3 GLY 73 2HA GLY 73 2.137 6.482 -12.646 501 H LEU 74 H LEU 74 2.658 5.509 -9.302 502 HA LEU 74 HA LEU 74 2.489 8.350 -8.540 503 HB2 LEU 74 1HB LEU 74 1.608 5.919 -6.989 504 HB3 LEU 74 2HB LEU 74 1.497 7.588 -6.433 505 HG LEU 74 HG LEU 74 0.014 6.445 -8.800 506 HD11 LEU 74 1HD1 LEU 74 -0.496 6.180 -6.030 507 HD12 LEU 74 2HD1 LEU 74 -1.515 5.696 -7.385 508 HD13 LEU 74 3HD1 LEU 74 -1.682 7.308 -6.689 509 HD21 LEU 74 1HD2 LEU 74 0.024 8.651 -9.320 510 HD22 LEU 74 2HD2 LEU 74 0.318 9.158 -7.656 511 HD23 LEU 74 3HD2 LEU 74 -1.304 8.678 -8.159 512 H THR 75 H THR 75 4.147 9.199 -7.465 513 HA THR 75 HA THR 75 6.459 7.612 -6.882 514 HB THR 75 HB THR 75 7.362 9.784 -5.942 515 HG1 THR 75 1HG THR 75 4.952 10.502 -5.749 516 HG21 THR 75 1HG2 THR 75 7.265 10.932 -8.258 517 HG22 THR 75 2HG2 THR 75 6.368 9.497 -8.757 518 HG23 THR 75 3HG2 THR 75 8.011 9.339 -8.137 519 H HIS 76 H HIS 76 7.589 8.278 -4.653 520 HA HIS 76 HA HIS 76 6.339 6.847 -2.644 521 HB2 HIS 76 1HB HIS 76 8.638 7.158 -2.361 522 HB3 HIS 76 2HB HIS 76 8.533 8.897 -2.620 523 HD1 HIS 76 1HD HIS 76 9.712 9.478 -0.424 524 HD2 HIS 76 2HD HIS 76 6.283 7.188 0.083 525 HE1 HIS 76 1HE HIS 76 9.221 9.541 2.041 526 HE2 HIS 76 2HE HIS 76 7.191 8.079 2.335 527 H ALA 77 H ALA 77 6.572 10.393 -2.926 528 HA ALA 77 HA ALA 77 5.042 11.045 -0.694 529 HB1 ALA 77 1HB ALA 77 6.403 12.659 -1.948 530 HB2 ALA 77 2HB ALA 77 5.243 12.590 -3.276 531 HB3 ALA 77 3HB ALA 77 4.752 13.230 -1.707 532 H GLN 78 H GLN 78 4.017 10.567 -4.063 533 HA GLN 78 HA GLN 78 1.348 11.222 -3.845 534 HB2 GLN 78 1HB GLN 78 2.771 9.179 -5.532 535 HB3 GLN 78 2HB GLN 78 1.033 9.416 -5.658 536 HG2 GLN 78 1HG GLN 78 3.037 11.629 -6.007 537 HG3 GLN 78 2HG GLN 78 2.417 10.651 -7.337 538 HE21 GLN 78 1HE2 GLN 78 2.137 13.553 -6.138 539 HE22 GLN 78 2HE2 GLN 78 0.456 13.874 -6.374 540 H ALA 79 H ALA 79 2.672 7.916 -3.586 541 HA ALA 79 HA ALA 79 0.459 6.518 -2.880 542 HB1 ALA 79 1HB ALA 79 3.303 6.265 -1.987 543 HB2 ALA 79 2HB ALA 79 2.067 5.172 -1.363 544 HB3 ALA 79 3HB ALA 79 2.384 5.247 -3.096 545 H VAL 80 H VAL 80 2.643 7.999 -0.471 546 HA VAL 80 HA VAL 80 1.127 7.524 1.787 547 HB VAL 80 HB VAL 80 2.815 9.973 1.255 548 HG11 VAL 80 1HG1 VAL 80 2.636 10.537 3.428 549 HG12 VAL 80 2HG1 VAL 80 1.135 9.613 3.343 550 HG13 VAL 80 3HG1 VAL 80 2.601 8.859 3.970 551 HG21 VAL 80 1HG2 VAL 80 4.550 8.584 1.210 552 HG22 VAL 80 2HG2 VAL 80 4.185 8.144 2.879 553 HG23 VAL 80 3HG2 VAL 80 3.511 7.200 1.551 554 H GLU 81 H GLU 81 1.152 10.541 -0.122 555 HA GLU 81 HA GLU 81 -0.717 12.027 1.127 556 HB2 GLU 81 1HB GLU 81 0.515 12.460 -1.100 557 HB3 GLU 81 2HB GLU 81 -0.878 11.701 -1.857 558 HG2 GLU 81 1HG GLU 81 -2.325 13.384 -0.739 559 HG3 GLU 81 2HG GLU 81 -0.865 14.187 -0.165 560 H ARG 82 H ARG 82 -1.483 9.519 -1.284 561 HA ARG 82 HA ARG 82 -4.246 9.717 -1.218 562 HB2 ARG 82 1HB ARG 82 -2.647 7.171 -1.536 563 HB3 ARG 82 2HB ARG 82 -4.297 7.444 -2.081 564 HG2 ARG 82 1HG ARG 82 -1.907 8.970 -3.090 565 HG3 ARG 82 2HG ARG 82 -2.598 7.553 -3.883 566 HD2 ARG 82 1HD ARG 82 -3.591 9.325 -5.010 567 HD3 ARG 82 2HD ARG 82 -4.811 8.872 -3.819 568 HE ARG 82 HE ARG 82 -3.342 10.813 -2.587 569 HH11 ARG 82 2HH1 ARG 82 -5.103 10.588 -5.581 570 HH12 ARG 82 1HH1 ARG 82 -5.509 12.272 -5.620 571 HH21 ARG 82 2HH2 ARG 82 -3.869 13.032 -2.627 572 HH22 ARG 82 1HH2 ARG 82 -4.805 13.662 -3.940 573 H ILE 83 H ILE 83 -2.086 7.851 0.875 574 HA ILE 83 HA ILE 83 -4.040 6.465 2.324 575 HB ILE 83 HB ILE 83 -1.343 7.417 3.298 576 HG12 ILE 83 1HG1 ILE 83 -2.052 4.688 2.227 577 HG13 ILE 83 2HG1 ILE 83 -1.441 5.972 1.190 578 HG21 ILE 83 1HG2 ILE 83 -1.546 6.056 5.126 579 HG22 ILE 83 2HG2 ILE 83 -3.224 6.556 4.925 580 HG23 ILE 83 3HG2 ILE 83 -2.698 4.980 4.335 581 HD11 ILE 83 1HD1 ILE 83 0.595 5.267 1.688 582 HD12 ILE 83 2HD1 ILE 83 0.335 5.872 3.325 583 HD13 ILE 83 3HD1 ILE 83 -0.019 4.188 2.940 584 H ARG 84 H ARG 84 -2.427 9.553 3.056 585 HA ARG 84 HA ARG 84 -3.735 10.087 5.464 586 HB2 ARG 84 1HB ARG 84 -2.539 11.904 3.378 587 HB3 ARG 84 2HB ARG 84 -3.229 12.520 4.874 588 HG2 ARG 84 1HG ARG 84 -1.188 10.368 5.045 589 HG3 ARG 84 2HG ARG 84 -0.661 12.006 4.651 590 HD2 ARG 84 1HD ARG 84 -0.513 11.947 6.968 591 HD3 ARG 84 2HD ARG 84 -2.077 12.710 6.687 592 HE ARG 84 HE ARG 84 -2.446 9.940 6.928 593 HH11 ARG 84 2HH1 ARG 84 -1.564 12.700 8.857 594 HH12 ARG 84 1HH1 ARG 84 -2.182 12.032 10.331 595 HH21 ARG 84 2HH2 ARG 84 -3.264 9.049 8.863 596 HH22 ARG 84 1HH2 ARG 84 -3.148 9.955 10.333 597 H ALA 85 H ALA 85 -4.555 11.172 2.172 598 HA ALA 85 HA ALA 85 -6.917 12.534 2.898 599 HB1 ALA 85 1HB ALA 85 -7.469 12.161 0.404 600 HB2 ALA 85 2HB ALA 85 -6.064 13.140 0.827 601 HB3 ALA 85 3HB ALA 85 -5.849 11.467 0.313 602 H GLY 86 H GLY 86 -6.230 9.180 2.251 603 HA2 GLY 86 1HA GLY 86 -8.579 8.056 1.519 604 HA3 GLY 86 2HA GLY 86 -7.528 7.325 2.724 605 H GLY 87 H GLY 87 -7.806 9.157 4.806 606 HA2 GLY 87 1HA GLY 87 -9.770 10.240 5.932 607 HA3 GLY 87 2HA GLY 87 -10.662 8.796 5.476 608 HA PRO 88 HA PRO 88 -9.215 8.144 9.797 609 HB2 PRO 88 1HB PRO 88 -11.502 6.926 10.607 610 HB3 PRO 88 2HB PRO 88 -11.300 8.682 10.599 611 HG2 PRO 88 1HG PRO 88 -12.667 6.923 8.599 612 HG3 PRO 88 2HG PRO 88 -13.189 8.485 9.257 613 HD2 PRO 88 1HD PRO 88 -12.031 8.243 6.821 614 HD3 PRO 88 2HD PRO 88 -11.819 9.681 7.840 615 H GLN 89 H GLN 89 -10.271 6.153 7.213 616 HA GLN 89 HA GLN 89 -9.234 3.760 8.583 617 HB2 GLN 89 1HB GLN 89 -11.451 4.149 6.625 618 HB3 GLN 89 2HB GLN 89 -10.554 2.637 6.578 619 HG2 GLN 89 1HG GLN 89 -11.055 2.345 8.999 620 HG3 GLN 89 2HG GLN 89 -12.092 3.768 8.901 621 HE21 GLN 89 1HE2 GLN 89 -13.751 2.271 9.623 622 HE22 GLN 89 2HE2 GLN 89 -14.572 1.298 8.456 623 H LEU 90 H LEU 90 -7.473 2.806 7.780 624 HA LEU 90 HA LEU 90 -6.318 3.896 5.326 625 HB2 LEU 90 1HB LEU 90 -4.666 3.950 6.899 626 HB3 LEU 90 2HB LEU 90 -5.264 2.517 7.733 627 HG LEU 90 HG LEU 90 -4.038 2.186 5.038 628 HD11 LEU 90 1HD1 LEU 90 -2.110 1.945 7.194 629 HD12 LEU 90 2HD1 LEU 90 -2.678 3.600 6.978 630 HD13 LEU 90 3HD1 LEU 90 -1.960 2.731 5.622 631 HD21 LEU 90 1HD2 LEU 90 -3.114 0.215 6.646 632 HD22 LEU 90 2HD2 LEU 90 -4.605 0.116 5.708 633 HD23 LEU 90 3HD2 LEU 90 -4.663 0.570 7.412 634 H HIS 91 H HIS 91 -6.206 2.786 3.480 635 HA HIS 91 HA HIS 91 -6.701 -0.115 3.556 636 HB2 HIS 91 1HB HIS 91 -8.644 1.415 2.737 637 HB3 HIS 91 2HB HIS 91 -7.673 1.581 1.276 638 HD1 HIS 91 1HD HIS 91 -7.816 -0.274 -0.400 639 HD2 HIS 91 2HD HIS 91 -9.463 -1.317 3.269 640 HE1 HIS 91 1HE HIS 91 -8.928 -2.499 -0.771 641 HE2 HIS 91 2HE HIS 91 -9.990 -3.069 1.440 642 H LEU 92 H LEU 92 -4.829 -1.025 3.000 643 HA LEU 92 HA LEU 92 -3.415 0.048 0.649 644 HB2 LEU 92 1HB LEU 92 -2.080 -1.363 2.943 645 HB3 LEU 92 2HB LEU 92 -1.319 -0.479 1.622 646 HG LEU 92 HG LEU 92 -2.898 0.710 3.901 647 HD11 LEU 92 1HD1 LEU 92 -0.160 1.585 3.491 648 HD12 LEU 92 2HD1 LEU 92 -0.276 -0.139 3.842 649 HD13 LEU 92 3HD1 LEU 92 -0.967 1.036 4.960 650 HD21 LEU 92 1HD2 LEU 92 -2.150 1.756 1.283 651 HD22 LEU 92 2HD2 LEU 92 -1.583 2.752 2.624 652 HD23 LEU 92 3HD2 LEU 92 -3.300 2.377 2.468 653 H VAL 93 H VAL 93 -3.109 -1.343 -0.968 654 HA VAL 93 HA VAL 93 -3.955 -4.104 -0.618 655 HB VAL 93 HB VAL 93 -3.010 -2.841 -3.184 656 HG11 VAL 93 1HG1 VAL 93 -3.908 -4.641 -4.253 657 HG12 VAL 93 2HG1 VAL 93 -3.491 -5.410 -2.721 658 HG13 VAL 93 3HG1 VAL 93 -5.149 -4.892 -3.026 659 HG21 VAL 93 1HG2 VAL 93 -5.644 -2.595 -1.787 660 HG22 VAL 93 2HG2 VAL 93 -4.696 -1.357 -2.611 661 HG23 VAL 93 3HG2 VAL 93 -5.564 -2.573 -3.549 662 H ILE 94 H ILE 94 -2.489 -5.514 0.075 663 HA ILE 94 HA ILE 94 0.261 -5.301 -0.966 664 HB ILE 94 HB ILE 94 -0.658 -6.453 1.670 665 HG12 ILE 94 1HG1 ILE 94 -0.567 -3.925 1.406 666 HG13 ILE 94 2HG1 ILE 94 0.405 -4.600 2.709 667 HG21 ILE 94 1HG2 ILE 94 1.173 -7.760 0.826 668 HG22 ILE 94 2HG2 ILE 94 2.088 -6.304 0.439 669 HG23 ILE 94 3HG2 ILE 94 1.767 -6.722 2.122 670 HD11 ILE 94 1HD1 ILE 94 1.575 -4.010 0.016 671 HD12 ILE 94 2HD1 ILE 94 1.447 -2.780 1.273 672 HD13 ILE 94 3HD1 ILE 94 2.401 -4.235 1.557 673 H ARG 95 H ARG 95 1.357 -7.231 -1.501 674 HA ARG 95 HA ARG 95 -0.314 -9.637 -1.723 675 HB2 ARG 95 1HB ARG 95 -0.453 -8.752 -3.908 676 HB3 ARG 95 2HB ARG 95 1.240 -8.275 -3.911 677 HG2 ARG 95 1HG ARG 95 1.785 -10.750 -3.799 678 HG3 ARG 95 2HG ARG 95 0.084 -11.031 -4.173 679 HD2 ARG 95 1HD ARG 95 0.594 -9.315 -6.114 680 HD3 ARG 95 2HD ARG 95 2.245 -9.884 -5.866 681 HE ARG 95 HE ARG 95 0.107 -11.311 -7.106 682 HH11 ARG 95 2HH1 ARG 95 3.003 -11.682 -5.210 683 HH12 ARG 95 1HH1 ARG 95 3.317 -13.292 -5.766 684 HH21 ARG 95 2HH2 ARG 95 0.510 -13.430 -7.846 685 HH22 ARG 95 1HH2 ARG 95 1.899 -14.285 -7.266 686 H ARG 96 H ARG 96 0.725 -10.858 -0.234 687 HA ARG 96 HA ARG 96 3.445 -10.863 0.343 688 HB2 ARG 96 1HB ARG 96 1.314 -12.965 0.669 689 HB3 ARG 96 2HB ARG 96 2.969 -13.235 1.198 690 HG2 ARG 96 1HG ARG 96 2.828 -11.680 2.891 691 HG3 ARG 96 2HG ARG 96 1.509 -10.802 2.114 692 HD2 ARG 96 1HD ARG 96 0.485 -11.904 3.900 693 HD3 ARG 96 2HD ARG 96 0.122 -12.918 2.504 694 HE ARG 96 HE ARG 96 2.429 -13.955 3.557 695 HH11 ARG 96 2HH1 ARG 96 -0.788 -13.328 4.733 696 HH12 ARG 96 1HH1 ARG 96 -0.768 -14.636 5.869 697 HH21 ARG 96 2HH2 ARG 96 2.466 -15.681 5.048 698 HH22 ARG 96 1HH2 ARG 96 1.083 -15.973 6.048 699 HA PRO 97 HA PRO 97 4.872 -12.698 -3.498 700 HB2 PRO 97 1HB PRO 97 7.509 -12.344 -2.959 701 HB3 PRO 97 2HB PRO 97 6.465 -11.043 -3.543 702 HG2 PRO 97 1HG PRO 97 7.359 -11.646 -0.750 703 HG3 PRO 97 2HG PRO 97 7.252 -10.081 -1.577 704 HD2 PRO 97 1HD PRO 97 5.369 -10.938 0.170 705 HD3 PRO 97 2HD PRO 97 4.981 -9.908 -1.223 706 H LEU 98 H LEU 98 6.442 -14.451 -4.019 707 HA LEU 98 HA LEU 98 6.055 -16.663 -2.252 708 HB2 LEU 98 1HB LEU 98 7.318 -16.237 -4.910 709 HB3 LEU 98 2HB LEU 98 7.750 -17.688 -4.007 710 HG LEU 98 HG LEU 98 5.223 -18.122 -3.877 711 HD11 LEU 98 1HD1 LEU 98 4.972 -15.658 -4.909 712 HD12 LEU 98 2HD1 LEU 98 3.768 -16.928 -5.121 713 HD13 LEU 98 3HD1 LEU 98 4.946 -16.609 -6.394 714 HD21 LEU 98 1HD2 LEU 98 5.476 -18.649 -6.566 715 HD22 LEU 98 2HD2 LEU 98 6.020 -19.690 -5.250 716 HD23 LEU 98 3HD2 LEU 98 7.149 -18.569 -6.013 717 H SER 99 H SER 99 7.349 -17.407 -0.701 718 HA SER 99 HA SER 99 10.131 -16.439 -0.620 719 HB2 SER 99 1HB SER 99 8.571 -15.422 1.112 720 HB3 SER 99 2HB SER 99 8.456 -17.032 1.823 721 HG SER 99 HG SER 99 10.176 -15.402 2.546 722 H GLY 100 H GLY 100 7.995 -18.942 0.769 723 HA2 GLY 100 1HA GLY 100 8.923 -21.233 -0.145 724 HA3 GLY 100 2HA GLY 100 10.270 -20.777 0.887 725 HA PRO 101 HA PRO 101 6.905 -23.104 3.264 726 HB2 PRO 101 1HB PRO 101 8.336 -25.357 3.761 727 HB3 PRO 101 2HB PRO 101 7.318 -25.162 2.329 728 HG2 PRO 101 1HG PRO 101 10.282 -24.839 2.606 729 HG3 PRO 101 2HG PRO 101 9.358 -25.632 1.316 730 HD2 PRO 101 1HD PRO 101 10.362 -23.130 1.062 731 HD3 PRO 101 2HD PRO 101 8.851 -23.636 0.280 732 H SER 102 H SER 102 10.191 -22.183 3.639 733 HA SER 102 HA SER 102 10.654 -22.927 6.307 734 HB2 SER 102 1HB SER 102 12.455 -22.176 4.823 735 HB3 SER 102 2HB SER 102 11.753 -20.559 4.770 736 HG SER 102 HG SER 102 12.238 -20.288 6.917 737 H SER 103 H SER 103 10.296 -21.920 8.245 738 HA SER 103 HA SER 103 8.622 -19.497 8.188 739 HB2 SER 103 1HB SER 103 8.336 -21.868 10.049 740 HB3 SER 103 2HB SER 103 7.396 -20.379 10.144 741 HG SER 103 HG SER 103 7.464 -22.102 7.889 742 H GLY 104 H GLY 104 10.759 -21.500 10.209 743 HA2 GLY 104 1HA GLY 104 11.910 -19.026 11.294 744 HA3 GLY 104 2HA GLY 104 11.310 -20.238 12.416 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -14.151 -5.369 18.433 2 HA2 GLY 1 1HA GLY 1 -11.309 -5.175 18.203 3 HA3 GLY 1 2HA GLY 1 -12.199 -6.399 19.096 4 H SER 2 H SER 2 -10.808 -5.530 16.013 5 HA SER 2 HA SER 2 -11.627 -7.565 14.371 6 HB2 SER 2 1HB SER 2 -10.077 -5.662 13.775 7 HB3 SER 2 2HB SER 2 -8.768 -6.590 14.508 8 HG SER 2 HG SER 2 -9.651 -6.778 12.055 9 H SER 3 H SER 3 -11.851 -9.615 15.040 10 HA SER 3 HA SER 3 -9.859 -10.877 16.717 11 HB2 SER 3 1HB SER 3 -12.217 -11.369 17.115 12 HB3 SER 3 2HB SER 3 -12.392 -11.972 15.467 13 HG SER 3 HG SER 3 -11.687 -13.818 16.150 14 H GLY 4 H GLY 4 -11.219 -11.470 13.473 15 HA2 GLY 4 1HA GLY 4 -8.779 -12.002 12.231 16 HA3 GLY 4 2HA GLY 4 -9.413 -13.538 12.801 17 H SER 5 H SER 5 -9.883 -10.873 10.596 18 HA SER 5 HA SER 5 -12.289 -11.248 9.460 19 HB2 SER 5 1HB SER 5 -10.858 -9.594 8.525 20 HB3 SER 5 2HB SER 5 -9.638 -10.791 8.090 21 HG SER 5 HG SER 5 -10.643 -11.061 6.277 22 H SER 6 H SER 6 -13.240 -13.203 9.324 23 HA SER 6 HA SER 6 -11.867 -15.546 8.421 24 HB2 SER 6 1HB SER 6 -14.174 -16.566 8.481 25 HB3 SER 6 2HB SER 6 -13.651 -15.839 10.000 26 HG SER 6 HG SER 6 -15.107 -14.302 8.157 27 H GLY 7 H GLY 7 -11.081 -14.812 6.363 28 HA2 GLY 7 1HA GLY 7 -12.147 -15.782 4.132 29 HA3 GLY 7 2HA GLY 7 -13.061 -14.289 4.286 30 H GLN 8 H GLN 8 -9.637 -15.016 4.920 31 HA GLN 8 HA GLN 8 -8.768 -12.598 3.709 32 HB2 GLN 8 1HB GLN 8 -7.330 -15.059 4.679 33 HB3 GLN 8 2HB GLN 8 -6.473 -13.729 3.911 34 HG2 GLN 8 1HG GLN 8 -8.245 -13.333 6.299 35 HG3 GLN 8 2HG GLN 8 -6.538 -13.750 6.440 36 HE21 GLN 8 1HE2 GLN 8 -8.820 -11.329 5.383 37 HE22 GLN 8 2HE2 GLN 8 -7.702 -10.013 5.338 38 H ALA 9 H ALA 9 -9.436 -12.487 1.589 39 HA ALA 9 HA ALA 9 -9.516 -14.343 -0.375 40 HB1 ALA 9 1HB ALA 9 -9.605 -11.579 -0.287 41 HB2 ALA 9 2HB ALA 9 -8.287 -11.929 -1.406 42 HB3 ALA 9 3HB ALA 9 -9.894 -12.595 -1.700 43 H SER 10 H SER 10 -8.130 -15.282 -1.852 44 HA SER 10 HA SER 10 -5.434 -15.671 -0.959 45 HB2 SER 10 1HB SER 10 -6.904 -17.434 -2.046 46 HB3 SER 10 2HB SER 10 -6.618 -16.606 -3.577 47 HG SER 10 HG SER 10 -5.150 -18.375 -3.093 48 H GLY 11 H GLY 11 -3.546 -14.944 -1.844 49 HA2 GLY 11 1HA GLY 11 -2.150 -13.824 -3.332 50 HA3 GLY 11 2HA GLY 11 -3.549 -13.459 -4.331 51 H HIS 12 H HIS 12 -3.696 -11.332 -4.562 52 HA HIS 12 HA HIS 12 -2.579 -9.411 -2.878 53 HB2 HIS 12 1HB HIS 12 -5.020 -8.831 -4.530 54 HB3 HIS 12 2HB HIS 12 -3.627 -7.800 -4.216 55 HD1 HIS 12 1HD HIS 12 -4.976 -9.056 -7.010 56 HD2 HIS 12 2HD HIS 12 -1.253 -9.749 -5.301 57 HE1 HIS 12 1HE HIS 12 -3.510 -9.851 -8.892 58 HE2 HIS 12 2HE HIS 12 -1.286 -10.345 -7.818 59 H PHE 13 H PHE 13 -3.161 -8.600 -0.975 60 HA PHE 13 HA PHE 13 -5.953 -8.942 -0.100 61 HB2 PHE 13 1HB PHE 13 -5.145 -9.321 2.183 62 HB3 PHE 13 2HB PHE 13 -4.494 -10.528 1.079 63 HD1 PHE 13 2HD PHE 13 -3.712 -7.584 3.118 64 HD2 PHE 13 1HD PHE 13 -2.150 -10.636 0.596 65 HE1 PHE 13 2HE PHE 13 -1.434 -7.030 3.865 66 HE2 PHE 13 1HE PHE 13 0.131 -10.088 1.340 67 HZ PHE 13 HZ PHE 13 0.491 -8.282 2.975 68 H SER 14 H SER 14 -6.618 -7.409 1.605 69 HA SER 14 HA SER 14 -5.283 -4.806 1.245 70 HB2 SER 14 1HB SER 14 -8.172 -5.106 2.032 71 HB3 SER 14 2HB SER 14 -7.367 -3.723 1.292 72 HG SER 14 HG SER 14 -7.504 -4.646 -0.634 73 H VAL 15 H VAL 15 -5.219 -3.372 3.041 74 HA VAL 15 HA VAL 15 -5.434 -4.743 5.642 75 HB VAL 15 HB VAL 15 -3.575 -2.457 4.989 76 HG11 VAL 15 1HG1 VAL 15 -3.653 -4.369 7.321 77 HG12 VAL 15 2HG1 VAL 15 -2.485 -3.068 7.080 78 HG13 VAL 15 3HG1 VAL 15 -4.187 -2.689 7.351 79 HG21 VAL 15 1HG2 VAL 15 -2.767 -4.214 3.663 80 HG22 VAL 15 2HG2 VAL 15 -1.808 -4.299 5.140 81 HG23 VAL 15 3HG2 VAL 15 -3.139 -5.427 4.887 82 H GLU 16 H GLU 16 -6.556 -3.787 7.254 83 HA GLU 16 HA GLU 16 -7.583 -1.068 6.780 84 HB2 GLU 16 1HB GLU 16 -9.061 -3.528 7.678 85 HB3 GLU 16 2HB GLU 16 -9.653 -1.919 8.067 86 HG2 GLU 16 1HG GLU 16 -10.808 -2.417 6.142 87 HG3 GLU 16 2HG GLU 16 -9.443 -1.486 5.528 88 H LEU 17 H LEU 17 -6.968 0.289 8.315 89 HA LEU 17 HA LEU 17 -6.677 -0.716 11.064 90 HB2 LEU 17 1HB LEU 17 -4.857 1.335 9.829 91 HB3 LEU 17 2HB LEU 17 -4.688 0.547 11.396 92 HG LEU 17 HG LEU 17 -4.382 -0.805 8.715 93 HD11 LEU 17 1HD1 LEU 17 -2.402 0.285 10.688 94 HD12 LEU 17 2HD1 LEU 17 -2.510 0.579 8.953 95 HD13 LEU 17 3HD1 LEU 17 -1.979 -0.993 9.549 96 HD21 LEU 17 1HD2 LEU 17 -3.264 -2.501 10.410 97 HD22 LEU 17 2HD2 LEU 17 -4.989 -2.553 10.047 98 HD23 LEU 17 3HD2 LEU 17 -4.421 -1.772 11.524 99 H VAL 18 H VAL 18 -6.783 0.999 12.712 100 HA VAL 18 HA VAL 18 -8.592 3.161 11.854 101 HB VAL 18 HB VAL 18 -8.380 1.812 14.549 102 HG11 VAL 18 1HG1 VAL 18 -10.193 3.217 15.269 103 HG12 VAL 18 2HG1 VAL 18 -8.883 4.242 14.679 104 HG13 VAL 18 3HG1 VAL 18 -10.306 3.961 13.674 105 HG21 VAL 18 1HG2 VAL 18 -9.493 0.498 12.763 106 HG22 VAL 18 2HG2 VAL 18 -10.574 0.932 14.087 107 HG23 VAL 18 3HG2 VAL 18 -10.649 1.814 12.562 108 H ARG 19 H ARG 19 -7.733 5.122 11.873 109 HA ARG 19 HA ARG 19 -5.257 5.914 12.562 110 HB2 ARG 19 1HB ARG 19 -7.242 7.270 11.571 111 HB3 ARG 19 2HB ARG 19 -7.549 7.730 13.240 112 HG2 ARG 19 1HG ARG 19 -5.620 8.969 13.398 113 HG3 ARG 19 2HG ARG 19 -4.810 8.068 12.115 114 HD2 ARG 19 1HD ARG 19 -5.819 9.270 10.446 115 HD3 ARG 19 2HD ARG 19 -7.237 9.643 11.425 116 HE ARG 19 HE ARG 19 -4.874 10.907 12.410 117 HH11 ARG 19 2HH1 ARG 19 -7.402 11.132 10.028 118 HH12 ARG 19 1HH1 ARG 19 -7.280 12.853 9.871 119 HH21 ARG 19 2HH2 ARG 19 -4.703 13.173 12.213 120 HH22 ARG 19 1HH2 ARG 19 -5.744 14.013 11.113 121 H GLY 20 H GLY 20 -4.242 5.253 14.375 122 HA2 GLY 20 1HA GLY 20 -5.447 5.015 16.918 123 HA3 GLY 20 2HA GLY 20 -3.718 5.041 16.600 124 H TYR 21 H TYR 21 -2.562 6.865 17.003 125 HA TYR 21 HA TYR 21 -4.063 9.103 18.185 126 HB2 TYR 21 1HB TYR 21 -2.509 7.908 19.706 127 HB3 TYR 21 2HB TYR 21 -1.174 8.328 18.638 128 HD1 TYR 21 1HD TYR 21 -3.872 9.875 20.692 129 HD2 TYR 21 2HD TYR 21 -0.006 10.315 18.969 130 HE1 TYR 21 1HE TYR 21 -3.581 11.997 21.901 131 HE2 TYR 21 2HE TYR 21 0.295 12.438 20.175 132 HH TYR 21 HH TYR 21 -2.294 13.795 22.182 133 H ALA 22 H ALA 22 -4.384 9.875 15.957 134 HA ALA 22 HA ALA 22 -3.943 11.336 14.269 135 HB1 ALA 22 1HB ALA 22 -2.623 13.196 14.738 136 HB2 ALA 22 2HB ALA 22 -3.152 12.652 16.330 137 HB3 ALA 22 3HB ALA 22 -1.524 12.277 15.766 138 H GLY 23 H GLY 23 -3.068 8.810 13.774 139 HA2 GLY 23 1HA GLY 23 -1.535 8.851 11.601 140 HA3 GLY 23 2HA GLY 23 -0.306 8.940 12.855 141 H PHE 24 H PHE 24 -0.505 6.848 10.977 142 HA PHE 24 HA PHE 24 -1.578 4.595 12.509 143 HB2 PHE 24 1HB PHE 24 -0.609 4.829 9.657 144 HB3 PHE 24 2HB PHE 24 -1.058 3.298 10.402 145 HD1 PHE 24 1HD PHE 24 -3.382 2.839 10.995 146 HD2 PHE 24 2HD PHE 24 -2.261 6.430 9.004 147 HE1 PHE 24 1HE PHE 24 -5.735 3.234 10.391 148 HE2 PHE 24 2HE PHE 24 -4.612 6.832 8.398 149 HZ PHE 24 HZ PHE 24 -6.352 5.233 9.092 150 H GLY 25 H GLY 25 1.366 6.157 11.751 151 HA2 GLY 25 1HA GLY 25 3.482 5.744 12.589 152 HA3 GLY 25 2HA GLY 25 2.848 4.307 13.377 153 H LEU 26 H LEU 26 2.413 4.812 9.961 154 HA LEU 26 HA LEU 26 4.207 2.542 9.458 155 HB2 LEU 26 1HB LEU 26 1.785 2.405 8.803 156 HB3 LEU 26 2HB LEU 26 2.105 3.675 7.623 157 HG LEU 26 HG LEU 26 3.791 2.130 6.573 158 HD11 LEU 26 1HD1 LEU 26 3.844 0.704 8.735 159 HD12 LEU 26 2HD1 LEU 26 3.956 -0.098 7.168 160 HD13 LEU 26 3HD1 LEU 26 2.426 -0.086 8.045 161 HD21 LEU 26 1HD2 LEU 26 1.941 0.591 5.649 162 HD22 LEU 26 2HD2 LEU 26 1.792 2.331 5.403 163 HD23 LEU 26 3HD2 LEU 26 0.856 1.536 6.669 164 H THR 27 H THR 27 6.055 2.842 8.408 165 HA THR 27 HA THR 27 6.404 5.338 6.876 166 HB THR 27 HB THR 27 8.630 3.857 8.277 167 HG1 THR 27 1HG THR 27 6.824 5.787 9.220 168 HG21 THR 27 1HG2 THR 27 8.666 5.829 6.330 169 HG22 THR 27 2HG2 THR 27 9.999 5.395 7.400 170 HG23 THR 27 3HG2 THR 27 8.913 6.715 7.834 171 H LEU 28 H LEU 28 6.757 5.051 4.781 172 HA LEU 28 HA LEU 28 7.498 2.401 3.806 173 HB2 LEU 28 1HB LEU 28 6.177 4.793 2.654 174 HB3 LEU 28 2HB LEU 28 7.094 3.765 1.555 175 HG LEU 28 HG LEU 28 5.057 2.509 3.333 176 HD11 LEU 28 1HD1 LEU 28 4.269 3.679 0.691 177 HD12 LEU 28 2HD1 LEU 28 4.109 4.604 2.183 178 HD13 LEU 28 3HD1 LEU 28 3.244 3.079 1.994 179 HD21 LEU 28 1HD2 LEU 28 6.064 1.989 0.539 180 HD22 LEU 28 2HD2 LEU 28 4.809 1.050 1.349 181 HD23 LEU 28 3HD2 LEU 28 6.451 1.070 1.994 182 H GLY 29 H GLY 29 9.270 2.007 2.482 183 HA2 GLY 29 1HA GLY 29 11.210 4.215 2.229 184 HA3 GLY 29 2HA GLY 29 11.707 2.648 2.851 185 H GLY 30 H GLY 30 11.407 4.558 0.107 186 HA2 GLY 30 1HA GLY 30 12.732 3.484 -1.776 187 HA3 GLY 30 2HA GLY 30 11.538 2.200 -1.664 188 H GLY 31 H GLY 31 10.480 2.344 -3.561 189 HA2 GLY 31 1HA GLY 31 8.798 3.160 -4.937 190 HA3 GLY 31 2HA GLY 31 8.751 4.620 -3.961 191 H ARG 32 H ARG 32 8.565 5.780 -5.973 192 HA ARG 32 HA ARG 32 10.558 5.704 -7.974 193 HB2 ARG 32 1HB ARG 32 8.283 6.625 -8.314 194 HB3 ARG 32 2HB ARG 32 8.693 7.975 -7.264 195 HG2 ARG 32 1HG ARG 32 9.047 8.911 -9.315 196 HG3 ARG 32 2HG ARG 32 10.663 8.295 -8.962 197 HD2 ARG 32 1HD ARG 32 10.422 6.489 -10.419 198 HD3 ARG 32 2HD ARG 32 8.665 6.626 -10.444 199 HE ARG 32 HE ARG 32 8.871 8.069 -12.192 200 HH11 ARG 32 2HH1 ARG 32 11.879 8.024 -10.439 201 HH12 ARG 32 1HH1 ARG 32 12.698 9.060 -11.560 202 HH21 ARG 32 2HH2 ARG 32 9.939 9.434 -13.675 203 HH22 ARG 32 1HH2 ARG 32 11.594 9.862 -13.400 204 H ASP 33 H ASP 33 12.622 6.201 -7.668 205 HA ASP 33 HA ASP 33 13.263 8.561 -6.024 206 HB2 ASP 33 1HB ASP 33 14.494 5.838 -6.066 207 HB3 ASP 33 2HB ASP 33 15.530 7.226 -5.745 208 H VAL 34 H VAL 34 14.935 9.892 -6.735 209 HA VAL 34 HA VAL 34 15.193 10.283 -9.469 210 HB VAL 34 HB VAL 34 17.159 11.128 -7.336 211 HG11 VAL 34 1HG1 VAL 34 16.959 13.021 -9.414 212 HG12 VAL 34 2HG1 VAL 34 18.344 12.013 -8.991 213 HG13 VAL 34 3HG1 VAL 34 17.167 11.445 -10.176 214 HG21 VAL 34 1HG2 VAL 34 14.719 11.772 -7.022 215 HG22 VAL 34 2HG2 VAL 34 15.891 13.090 -7.039 216 HG23 VAL 34 3HG2 VAL 34 14.907 12.767 -8.466 217 H ALA 35 H ALA 35 16.916 8.140 -7.370 218 HA ALA 35 HA ALA 35 18.984 7.639 -9.375 219 HB1 ALA 35 1HB ALA 35 20.252 6.673 -7.723 220 HB2 ALA 35 2HB ALA 35 19.329 7.849 -6.787 221 HB3 ALA 35 3HB ALA 35 18.845 6.154 -6.794 222 H GLY 36 H GLY 36 16.065 6.843 -9.576 223 HA2 GLY 36 1HA GLY 36 15.718 4.897 -11.137 224 HA3 GLY 36 2HA GLY 36 16.477 3.933 -9.879 225 H ASP 37 H ASP 37 13.978 3.294 -10.863 226 HA ASP 37 HA ASP 37 12.071 4.244 -8.854 227 HB2 ASP 37 1HB ASP 37 10.473 2.799 -10.314 228 HB3 ASP 37 2HB ASP 37 11.041 4.344 -10.940 229 H THR 38 H THR 38 12.325 3.152 -6.996 230 HA THR 38 HA THR 38 12.769 0.262 -7.070 231 HB THR 38 HB THR 38 13.006 0.549 -4.550 232 HG1 THR 38 1HG THR 38 13.645 2.919 -4.182 233 HG21 THR 38 1HG2 THR 38 15.272 1.646 -4.780 234 HG22 THR 38 2HG2 THR 38 14.878 1.914 -6.478 235 HG23 THR 38 3HG2 THR 38 14.980 0.272 -5.845 236 HA PRO 39 HA PRO 39 8.595 -0.745 -6.117 237 HB2 PRO 39 1HB PRO 39 8.973 -3.100 -4.820 238 HB3 PRO 39 2HB PRO 39 9.167 -2.924 -6.569 239 HG2 PRO 39 1HG PRO 39 11.257 -2.957 -4.425 240 HG3 PRO 39 2HG PRO 39 11.266 -3.753 -6.010 241 HD2 PRO 39 1HD PRO 39 12.592 -1.441 -5.533 242 HD3 PRO 39 2HD PRO 39 11.882 -1.827 -7.114 243 H LEU 40 H LEU 40 7.515 0.403 -4.636 244 HA LEU 40 HA LEU 40 8.372 1.150 -2.118 245 HB2 LEU 40 1HB LEU 40 5.698 0.909 -3.406 246 HB3 LEU 40 2HB LEU 40 5.777 1.231 -1.676 247 HG LEU 40 HG LEU 40 7.307 2.971 -3.561 248 HD11 LEU 40 1HD1 LEU 40 4.404 2.685 -3.473 249 HD12 LEU 40 2HD1 LEU 40 5.432 3.492 -4.657 250 HD13 LEU 40 3HD1 LEU 40 4.965 4.331 -3.178 251 HD21 LEU 40 1HD2 LEU 40 7.294 2.969 -0.939 252 HD22 LEU 40 2HD2 LEU 40 5.788 3.860 -1.155 253 HD23 LEU 40 3HD2 LEU 40 7.289 4.486 -1.838 254 H ALA 41 H ALA 41 8.402 0.247 -0.141 255 HA ALA 41 HA ALA 41 6.811 -2.079 0.489 256 HB1 ALA 41 1HB ALA 41 8.737 -3.501 1.074 257 HB2 ALA 41 2HB ALA 41 8.654 -3.151 -0.653 258 HB3 ALA 41 3HB ALA 41 9.816 -2.300 0.364 259 H VAL 42 H VAL 42 6.446 -2.269 2.646 260 HA VAL 42 HA VAL 42 6.668 -0.207 4.382 261 HB VAL 42 HB VAL 42 6.793 -3.144 5.071 262 HG11 VAL 42 1HG1 VAL 42 7.070 -2.601 7.204 263 HG12 VAL 42 2HG1 VAL 42 7.195 -0.898 6.758 264 HG13 VAL 42 3HG1 VAL 42 5.622 -1.596 7.143 265 HG21 VAL 42 1HG2 VAL 42 4.630 -1.232 4.434 266 HG22 VAL 42 2HG2 VAL 42 4.728 -2.970 4.152 267 HG23 VAL 42 3HG2 VAL 42 4.326 -2.358 5.757 268 H ARG 43 H ARG 43 8.202 0.771 5.550 269 HA ARG 43 HA ARG 43 10.907 -0.361 5.474 270 HB2 ARG 43 1HB ARG 43 10.416 1.981 4.608 271 HB3 ARG 43 2HB ARG 43 10.144 2.441 6.283 272 HG2 ARG 43 1HG ARG 43 12.691 1.078 5.584 273 HG3 ARG 43 2HG ARG 43 12.480 2.771 5.134 274 HD2 ARG 43 1HD ARG 43 12.427 3.485 7.307 275 HD3 ARG 43 2HD ARG 43 11.780 1.957 7.905 276 HE ARG 43 HE ARG 43 14.303 1.351 7.052 277 HH11 ARG 43 2HH1 ARG 43 12.939 3.638 9.295 278 HH12 ARG 43 1HH1 ARG 43 14.330 3.652 10.328 279 HH21 ARG 43 2HH2 ARG 43 16.140 1.362 8.404 280 HH22 ARG 43 1HH2 ARG 43 16.150 2.358 9.820 281 H GLY 44 H GLY 44 9.189 1.746 7.785 282 HA2 GLY 44 1HA GLY 44 10.219 0.009 9.944 283 HA3 GLY 44 2HA GLY 44 10.081 1.754 10.092 284 H LEU 45 H LEU 45 8.926 -0.298 11.791 285 HA LEU 45 HA LEU 45 6.071 0.308 11.383 286 HB2 LEU 45 1HB LEU 45 7.460 -2.182 12.224 287 HB3 LEU 45 2HB LEU 45 5.891 -1.825 12.944 288 HG LEU 45 HG LEU 45 6.400 -2.055 9.979 289 HD11 LEU 45 1HD1 LEU 45 6.331 -4.106 11.864 290 HD12 LEU 45 2HD1 LEU 45 6.156 -4.256 10.116 291 HD13 LEU 45 3HD1 LEU 45 4.725 -4.095 11.134 292 HD21 LEU 45 1HD2 LEU 45 4.456 -0.944 9.917 293 HD22 LEU 45 2HD2 LEU 45 4.119 -1.238 11.623 294 HD23 LEU 45 3HD2 LEU 45 3.744 -2.476 10.423 295 H LEU 46 H LEU 46 5.586 1.912 12.742 296 HA LEU 46 HA LEU 46 6.888 2.707 15.018 297 HB2 LEU 46 1HB LEU 46 4.941 3.802 13.761 298 HB3 LEU 46 2HB LEU 46 3.898 2.836 14.801 299 HG LEU 46 HG LEU 46 5.283 3.980 16.719 300 HD11 LEU 46 1HD1 LEU 46 6.301 5.976 16.265 301 HD12 LEU 46 2HD1 LEU 46 5.359 6.254 14.801 302 HD13 LEU 46 3HD1 LEU 46 6.683 5.089 14.790 303 HD21 LEU 46 1HD2 LEU 46 3.082 5.267 15.116 304 HD22 LEU 46 2HD2 LEU 46 3.618 5.854 16.691 305 HD23 LEU 46 3HD2 LEU 46 2.923 4.240 16.541 306 H LYS 47 H LYS 47 6.925 2.149 17.132 307 HA LYS 47 HA LYS 47 6.001 -0.464 17.851 308 HB2 LYS 47 1HB LYS 47 8.007 0.037 18.888 309 HB3 LYS 47 2HB LYS 47 7.547 1.704 19.207 310 HG2 LYS 47 1HG LYS 47 7.655 0.517 21.281 311 HG3 LYS 47 2HG LYS 47 5.966 0.891 20.930 312 HD2 LYS 47 1HD LYS 47 6.469 -1.453 21.782 313 HD3 LYS 47 2HD LYS 47 5.491 -1.332 20.317 314 HE2 LYS 47 1HE LYS 47 7.189 -2.098 18.962 315 HE3 LYS 47 2HE LYS 47 8.454 -1.581 20.076 316 HZ1 LYS 47 1HZ LYS 47 7.188 -3.418 21.542 317 HZ2 LYS 47 2HZ LYS 47 8.527 -3.755 20.566 318 HZ3 LYS 47 3HZ LYS 47 6.966 -4.064 19.994 319 H ASP 48 H ASP 48 4.216 -1.042 18.933 320 HA ASP 48 HA ASP 48 2.241 -0.926 20.059 321 HB2 ASP 48 1HB ASP 48 3.726 0.490 21.630 322 HB3 ASP 48 2HB ASP 48 2.910 1.879 20.917 323 H GLY 49 H GLY 49 2.291 -0.277 17.344 324 HA2 GLY 49 1HA GLY 49 0.316 1.911 17.160 325 HA3 GLY 49 2HA GLY 49 1.372 1.411 15.847 326 HA PRO 50 HA PRO 50 -2.872 -0.669 15.620 327 HB2 PRO 50 1HB PRO 50 -3.751 0.588 13.380 328 HB3 PRO 50 2HB PRO 50 -4.042 1.211 15.008 329 HG2 PRO 50 1HG PRO 50 -1.960 2.018 13.015 330 HG3 PRO 50 2HG PRO 50 -2.963 3.040 14.061 331 HD2 PRO 50 1HD PRO 50 -0.388 2.442 14.646 332 HD3 PRO 50 2HD PRO 50 -1.618 2.695 15.901 333 H ALA 51 H ALA 51 -0.487 0.240 13.179 334 HA ALA 51 HA ALA 51 -1.177 -1.899 11.393 335 HB1 ALA 51 1HB ALA 51 1.470 -0.563 11.223 336 HB2 ALA 51 2HB ALA 51 0.335 -0.998 9.945 337 HB3 ALA 51 3HB ALA 51 0.028 0.416 10.953 338 H GLN 52 H GLN 52 1.764 -1.225 13.306 339 HA GLN 52 HA GLN 52 3.082 -3.602 12.924 340 HB2 GLN 52 1HB GLN 52 4.238 -1.896 14.069 341 HB3 GLN 52 2HB GLN 52 2.984 -1.751 15.293 342 HG2 GLN 52 1HG GLN 52 3.592 -3.931 16.190 343 HG3 GLN 52 2HG GLN 52 4.835 -4.100 14.951 344 HE21 GLN 52 1HE2 GLN 52 6.297 -2.039 14.880 345 HE22 GLN 52 2HE2 GLN 52 6.921 -1.552 16.415 346 H ARG 53 H ARG 53 0.432 -2.912 15.128 347 HA ARG 53 HA ARG 53 0.577 -5.441 16.471 348 HB2 ARG 53 1HB ARG 53 -1.392 -3.176 16.442 349 HB3 ARG 53 2HB ARG 53 -1.801 -4.701 17.216 350 HG2 ARG 53 1HG ARG 53 0.098 -4.486 18.706 351 HG3 ARG 53 2HG ARG 53 0.583 -2.994 17.898 352 HD2 ARG 53 1HD ARG 53 -0.559 -2.326 19.850 353 HD3 ARG 53 2HD ARG 53 -1.690 -2.076 18.521 354 HE ARG 53 HE ARG 53 -3.067 -3.644 19.452 355 HH11 ARG 53 2HH1 ARG 53 0.112 -3.968 20.833 356 HH12 ARG 53 1HH1 ARG 53 -0.379 -5.133 22.018 357 HH21 ARG 53 2HH2 ARG 53 -3.726 -5.177 21.007 358 HH22 ARG 53 1HH2 ARG 53 -2.562 -5.821 22.115 359 H CYS 54 H CYS 54 -1.088 -4.164 13.683 360 HA CYS 54 HA CYS 54 -3.044 -6.187 13.430 361 HB2 CYS 54 1HB CYS 54 -2.755 -3.854 12.220 362 HB3 CYS 54 2HB CYS 54 -1.922 -4.829 11.016 363 HG CYS 54 HG CYS 54 -4.161 -5.111 9.766 364 H GLY 55 H GLY 55 0.272 -5.892 12.276 365 HA2 GLY 55 1HA GLY 55 1.715 -7.671 11.799 366 HA3 GLY 55 2HA GLY 55 0.337 -8.761 11.806 367 H ARG 56 H ARG 56 -1.324 -7.621 9.952 368 HA ARG 56 HA ARG 56 -0.707 -8.667 7.581 369 HB2 ARG 56 1HB ARG 56 -2.147 -6.105 8.196 370 HB3 ARG 56 2HB ARG 56 -1.946 -6.637 6.532 371 HG2 ARG 56 1HG ARG 56 -4.082 -7.363 7.290 372 HG3 ARG 56 2HG ARG 56 -3.042 -8.783 7.156 373 HD2 ARG 56 1HD ARG 56 -3.198 -7.365 9.770 374 HD3 ARG 56 2HD ARG 56 -4.554 -8.379 9.279 375 HE ARG 56 HE ARG 56 -2.053 -9.725 9.010 376 HH11 ARG 56 2HH1 ARG 56 -4.510 -8.796 11.295 377 HH12 ARG 56 1HH1 ARG 56 -4.162 -10.090 12.393 378 HH21 ARG 56 2HH2 ARG 56 -1.585 -11.432 10.449 379 HH22 ARG 56 1HH2 ARG 56 -2.498 -11.588 11.911 380 H LEU 57 H LEU 57 0.472 -5.533 8.714 381 HA LEU 57 HA LEU 57 2.124 -5.273 6.311 382 HB2 LEU 57 1HB LEU 57 1.555 -3.336 8.549 383 HB3 LEU 57 2HB LEU 57 2.596 -2.998 7.168 384 HG LEU 57 HG LEU 57 -0.331 -3.663 6.907 385 HD11 LEU 57 1HD1 LEU 57 0.214 -0.932 6.356 386 HD12 LEU 57 2HD1 LEU 57 0.829 -1.305 7.966 387 HD13 LEU 57 3HD1 LEU 57 -0.861 -1.620 7.574 388 HD21 LEU 57 1HD2 LEU 57 0.236 -2.242 4.749 389 HD22 LEU 57 2HD2 LEU 57 0.515 -3.982 4.813 390 HD23 LEU 57 3HD2 LEU 57 1.857 -2.863 5.062 391 H GLU 58 H GLU 58 4.173 -5.898 6.342 392 HA GLU 58 HA GLU 58 5.667 -5.763 8.866 393 HB2 GLU 58 1HB GLU 58 5.566 -8.120 6.980 394 HB3 GLU 58 2HB GLU 58 6.756 -7.939 8.260 395 HG2 GLU 58 1HG GLU 58 4.694 -7.700 9.806 396 HG3 GLU 58 2HG GLU 58 3.822 -8.446 8.468 397 H VAL 59 H VAL 59 7.968 -5.629 8.615 398 HA VAL 59 HA VAL 59 8.808 -3.870 6.617 399 HB VAL 59 HB VAL 59 10.546 -5.712 8.266 400 HG11 VAL 59 1HG1 VAL 59 11.702 -3.161 7.660 401 HG12 VAL 59 2HG1 VAL 59 12.305 -4.776 7.284 402 HG13 VAL 59 3HG1 VAL 59 11.208 -3.961 6.169 403 HG21 VAL 59 1HG2 VAL 59 8.830 -3.988 9.335 404 HG22 VAL 59 2HG2 VAL 59 10.437 -4.253 10.012 405 HG23 VAL 59 3HG2 VAL 59 10.136 -2.859 8.974 406 H GLY 60 H GLY 60 8.969 -4.270 4.513 407 HA2 GLY 60 1HA GLY 60 10.467 -5.410 2.883 408 HA3 GLY 60 2HA GLY 60 10.011 -6.909 3.680 409 H ASP 61 H ASP 61 7.215 -6.148 3.973 410 HA ASP 61 HA ASP 61 6.060 -7.341 1.821 411 HB2 ASP 61 1HB ASP 61 5.065 -5.303 3.767 412 HB3 ASP 61 2HB ASP 61 4.042 -5.733 2.399 413 H LEU 62 H LEU 62 5.059 -6.671 -0.100 414 HA LEU 62 HA LEU 62 6.149 -4.170 -1.194 415 HB2 LEU 62 1HB LEU 62 4.984 -6.418 -2.803 416 HB3 LEU 62 2HB LEU 62 6.064 -5.131 -3.336 417 HG LEU 62 HG LEU 62 7.008 -7.162 -1.349 418 HD11 LEU 62 1HD1 LEU 62 7.217 -7.539 -4.324 419 HD12 LEU 62 2HD1 LEU 62 5.969 -8.309 -3.345 420 HD13 LEU 62 3HD1 LEU 62 7.670 -8.664 -3.043 421 HD21 LEU 62 1HD2 LEU 62 8.962 -6.149 -1.643 422 HD22 LEU 62 2HD2 LEU 62 8.122 -4.920 -2.589 423 HD23 LEU 62 3HD2 LEU 62 8.846 -6.313 -3.395 424 H VAL 63 H VAL 63 4.837 -2.602 -1.950 425 HA VAL 63 HA VAL 63 1.955 -2.989 -1.584 426 HB VAL 63 HB VAL 63 3.243 -0.341 -2.163 427 HG11 VAL 63 1HG1 VAL 63 0.674 -0.944 -2.004 428 HG12 VAL 63 2HG1 VAL 63 0.984 -0.760 -0.277 429 HG13 VAL 63 3HG1 VAL 63 1.306 0.579 -1.379 430 HG21 VAL 63 1HG2 VAL 63 2.901 -0.550 0.615 431 HG22 VAL 63 2HG2 VAL 63 3.775 -1.999 0.118 432 HG23 VAL 63 3HG2 VAL 63 4.416 -0.405 -0.276 433 H LEU 64 H LEU 64 0.667 -3.250 -3.278 434 HA LEU 64 HA LEU 64 1.703 -2.619 -5.949 435 HB2 LEU 64 1HB LEU 64 -0.543 -4.405 -5.034 436 HB3 LEU 64 2HB LEU 64 -0.196 -4.057 -6.727 437 HG LEU 64 HG LEU 64 1.461 -5.629 -4.771 438 HD11 LEU 64 1HD1 LEU 64 0.407 -6.314 -7.509 439 HD12 LEU 64 2HD1 LEU 64 -0.371 -6.765 -5.992 440 HD13 LEU 64 3HD1 LEU 64 1.229 -7.394 -6.383 441 HD21 LEU 64 1HD2 LEU 64 3.159 -4.457 -5.790 442 HD22 LEU 64 2HD2 LEU 64 2.268 -4.265 -7.300 443 HD23 LEU 64 3HD2 LEU 64 2.979 -5.826 -6.887 444 H HIS 65 H HIS 65 -0.887 -1.906 -3.717 445 HA HIS 65 HA HIS 65 -1.611 0.419 -5.278 446 HB2 HIS 65 1HB HIS 65 -3.758 -1.594 -4.597 447 HB3 HIS 65 2HB HIS 65 -3.942 -0.108 -5.525 448 HD1 HIS 65 1HD HIS 65 -2.475 -0.125 -7.863 449 HD2 HIS 65 2HD HIS 65 -3.398 -3.789 -6.135 450 HE1 HIS 65 1HE HIS 65 -2.186 -1.824 -9.694 451 HE2 HIS 65 2HE HIS 65 -2.832 -4.022 -8.648 452 H ILE 66 H ILE 66 -3.291 1.743 -4.113 453 HA ILE 66 HA ILE 66 -3.517 1.224 -1.263 454 HB ILE 66 HB ILE 66 -2.054 3.628 -2.348 455 HG12 ILE 66 1HG1 ILE 66 -1.243 1.575 -0.280 456 HG13 ILE 66 2HG1 ILE 66 -0.744 1.540 -1.967 457 HG21 ILE 66 1HG2 ILE 66 -2.085 3.722 0.452 458 HG22 ILE 66 2HG2 ILE 66 -2.883 4.822 -0.671 459 HG23 ILE 66 3HG2 ILE 66 -3.751 3.421 -0.044 460 HD11 ILE 66 1HD1 ILE 66 0.574 2.765 0.130 461 HD12 ILE 66 2HD1 ILE 66 0.894 2.982 -1.591 462 HD13 ILE 66 3HD1 ILE 66 -0.182 4.095 -0.747 463 H ASN 67 H ASN 67 -5.459 1.830 -0.563 464 HA ASN 67 HA ASN 67 -7.539 2.748 -0.497 465 HB2 ASN 67 1HB ASN 67 -6.289 5.103 -1.923 466 HB3 ASN 67 2HB ASN 67 -7.736 5.112 -0.918 467 HD21 ASN 67 1HD2 ASN 67 -7.062 3.789 1.282 468 HD22 ASN 67 2HD2 ASN 67 -5.746 4.555 2.099 469 H GLY 68 H GLY 68 -6.893 1.064 -2.721 470 HA2 GLY 68 1HA GLY 68 -7.932 0.336 -4.637 471 HA3 GLY 68 2HA GLY 68 -9.145 1.579 -4.367 472 H GLU 69 H GLU 69 -5.938 2.728 -4.501 473 HA GLU 69 HA GLU 69 -6.465 3.836 -7.166 474 HB2 GLU 69 1HB GLU 69 -4.494 4.708 -5.046 475 HB3 GLU 69 2HB GLU 69 -4.727 5.497 -6.599 476 HG2 GLU 69 1HG GLU 69 -6.977 5.165 -4.650 477 HG3 GLU 69 2HG GLU 69 -5.856 6.522 -4.559 478 H SER 70 H SER 70 -4.523 4.158 -8.572 479 HA SER 70 HA SER 70 -2.923 1.700 -8.558 480 HB2 SER 70 1HB SER 70 -3.919 3.530 -10.690 481 HB3 SER 70 2HB SER 70 -2.394 2.693 -10.976 482 HG SER 70 HG SER 70 -4.150 1.460 -11.721 483 H THR 71 H THR 71 -1.030 1.932 -7.566 484 HA THR 71 HA THR 71 0.318 4.448 -7.348 485 HB THR 71 HB THR 71 0.500 2.799 -5.556 486 HG1 THR 71 1HG THR 71 3.121 2.746 -6.367 487 HG21 THR 71 1HG2 THR 71 2.269 1.112 -7.292 488 HG22 THR 71 2HG2 THR 71 0.526 0.848 -7.261 489 HG23 THR 71 3HG2 THR 71 1.468 0.693 -5.779 490 H GLN 72 H GLN 72 -0.022 2.539 -9.934 491 HA GLN 72 HA GLN 72 2.513 2.043 -10.950 492 HB2 GLN 72 1HB GLN 72 1.497 1.878 -13.098 493 HB3 GLN 72 2HB GLN 72 0.313 1.305 -11.931 494 HG2 GLN 72 1HG GLN 72 -0.739 3.564 -12.000 495 HG3 GLN 72 2HG GLN 72 0.363 3.973 -13.315 496 HE21 GLN 72 1HE2 GLN 72 -2.637 3.583 -13.056 497 HE22 GLN 72 2HE2 GLN 72 -3.034 2.539 -14.374 498 H GLY 73 H GLY 73 0.740 5.034 -10.708 499 HA2 GLY 73 1HA GLY 73 3.052 6.418 -11.916 500 HA3 GLY 73 2HA GLY 73 1.403 6.901 -12.284 501 H LEU 74 H LEU 74 2.196 5.855 -9.077 502 HA LEU 74 HA LEU 74 2.055 8.655 -8.168 503 HB2 LEU 74 1HB LEU 74 1.125 6.206 -6.679 504 HB3 LEU 74 2HB LEU 74 0.958 7.882 -6.159 505 HG LEU 74 HG LEU 74 -0.399 6.716 -8.587 506 HD11 LEU 74 1HD1 LEU 74 -2.395 7.214 -6.861 507 HD12 LEU 74 2HD1 LEU 74 -1.132 6.726 -5.732 508 HD13 LEU 74 3HD1 LEU 74 -1.622 5.638 -7.031 509 HD21 LEU 74 1HD2 LEU 74 -1.447 9.114 -7.258 510 HD22 LEU 74 2HD2 LEU 74 -1.262 8.753 -8.974 511 HD23 LEU 74 3HD2 LEU 74 0.121 9.322 -8.039 512 H THR 75 H THR 75 3.926 9.342 -7.391 513 HA THR 75 HA THR 75 6.050 7.587 -6.674 514 HB THR 75 HB THR 75 7.122 9.752 -5.813 515 HG1 THR 75 1HG THR 75 6.063 11.640 -6.284 516 HG21 THR 75 1HG2 THR 75 7.962 10.091 -7.887 517 HG22 THR 75 2HG2 THR 75 6.366 10.244 -8.622 518 HG23 THR 75 3HG2 THR 75 7.028 8.647 -8.277 519 H HIS 76 H HIS 76 7.263 8.319 -4.488 520 HA HIS 76 HA HIS 76 5.976 7.084 -2.392 521 HB2 HIS 76 1HB HIS 76 8.391 7.547 -2.426 522 HB3 HIS 76 2HB HIS 76 8.067 9.264 -2.206 523 HD1 HIS 76 1HD HIS 76 7.644 10.080 0.151 524 HD2 HIS 76 2HD HIS 76 7.853 5.939 -0.122 525 HE1 HIS 76 1HE HIS 76 7.713 9.252 2.525 526 HE2 HIS 76 2HE HIS 76 7.925 6.749 2.333 527 H ALA 77 H ALA 77 6.120 10.558 -3.103 528 HA ALA 77 HA ALA 77 4.624 11.380 -0.846 529 HB1 ALA 77 1HB ALA 77 5.214 13.396 -1.560 530 HB2 ALA 77 2HB ALA 77 5.972 12.632 -2.958 531 HB3 ALA 77 3HB ALA 77 4.300 13.185 -3.054 532 H GLN 78 H GLN 78 3.709 10.754 -4.221 533 HA GLN 78 HA GLN 78 1.020 11.476 -4.034 534 HB2 GLN 78 1HB GLN 78 2.384 9.427 -5.782 535 HB3 GLN 78 2HB GLN 78 0.704 9.908 -5.980 536 HG2 GLN 78 1HG GLN 78 3.029 11.812 -6.112 537 HG3 GLN 78 2HG GLN 78 2.297 11.038 -7.517 538 HE21 GLN 78 1HE2 GLN 78 2.485 13.881 -6.318 539 HE22 GLN 78 2HE2 GLN 78 0.872 14.477 -6.484 540 H ALA 79 H ALA 79 2.607 8.373 -3.409 541 HA ALA 79 HA ALA 79 0.269 6.876 -2.936 542 HB1 ALA 79 1HB ALA 79 1.958 5.465 -1.521 543 HB2 ALA 79 2HB ALA 79 2.106 5.540 -3.278 544 HB3 ALA 79 3HB ALA 79 3.152 6.531 -2.262 545 H VAL 80 H VAL 80 2.519 8.419 -0.640 546 HA VAL 80 HA VAL 80 1.156 7.779 1.704 547 HB VAL 80 HB VAL 80 2.875 10.179 1.076 548 HG11 VAL 80 1HG1 VAL 80 1.962 11.024 2.954 549 HG12 VAL 80 2HG1 VAL 80 1.367 9.454 3.498 550 HG13 VAL 80 3HG1 VAL 80 3.055 9.898 3.756 551 HG21 VAL 80 1HG2 VAL 80 4.587 8.930 2.325 552 HG22 VAL 80 2HG2 VAL 80 3.462 7.584 2.500 553 HG23 VAL 80 3HG2 VAL 80 4.034 8.051 0.899 554 H GLU 81 H GLU 81 0.778 10.550 -0.466 555 HA GLU 81 HA GLU 81 -0.989 12.067 1.052 556 HB2 GLU 81 1HB GLU 81 0.158 12.489 -1.289 557 HB3 GLU 81 2HB GLU 81 -1.374 11.886 -1.905 558 HG2 GLU 81 1HG GLU 81 -1.778 14.132 -1.848 559 HG3 GLU 81 2HG GLU 81 -2.395 13.642 -0.271 560 H ARG 82 H ARG 82 -1.626 9.369 -1.139 561 HA ARG 82 HA ARG 82 -4.440 9.530 -1.076 562 HB2 ARG 82 1HB ARG 82 -2.637 7.152 -1.562 563 HB3 ARG 82 2HB ARG 82 -4.369 7.173 -1.864 564 HG2 ARG 82 1HG ARG 82 -2.407 9.031 -3.188 565 HG3 ARG 82 2HG ARG 82 -2.963 7.508 -3.886 566 HD2 ARG 82 1HD ARG 82 -4.396 9.035 -4.859 567 HD3 ARG 82 2HD ARG 82 -5.333 8.487 -3.469 568 HE ARG 82 HE ARG 82 -3.865 10.725 -2.685 569 HH11 ARG 82 2HH1 ARG 82 -6.452 9.908 -4.867 570 HH12 ARG 82 1HH1 ARG 82 -7.194 11.471 -4.779 571 HH21 ARG 82 2HH2 ARG 82 -4.833 12.787 -2.562 572 HH22 ARG 82 1HH2 ARG 82 -6.272 13.108 -3.469 573 H ILE 83 H ILE 83 -2.097 7.963 1.018 574 HA ILE 83 HA ILE 83 -3.961 6.415 2.498 575 HB ILE 83 HB ILE 83 -1.248 7.406 3.380 576 HG12 ILE 83 1HG1 ILE 83 -1.915 4.717 2.183 577 HG13 ILE 83 2HG1 ILE 83 -1.353 6.071 1.210 578 HG21 ILE 83 1HG2 ILE 83 -1.287 5.619 4.980 579 HG22 ILE 83 2HG2 ILE 83 -2.751 6.581 5.179 580 HG23 ILE 83 3HG2 ILE 83 -2.823 5.027 4.348 581 HD11 ILE 83 1HD1 ILE 83 0.441 5.824 3.359 582 HD12 ILE 83 2HD1 ILE 83 0.159 4.200 2.730 583 HD13 ILE 83 3HD1 ILE 83 0.724 5.477 1.654 584 H ARG 84 H ARG 84 -2.354 9.520 3.172 585 HA ARG 84 HA ARG 84 -3.634 9.986 5.638 586 HB2 ARG 84 1HB ARG 84 -2.612 12.060 5.620 587 HB3 ARG 84 2HB ARG 84 -1.570 11.149 4.536 588 HG2 ARG 84 1HG ARG 84 -2.581 12.145 2.614 589 HG3 ARG 84 2HG ARG 84 -3.822 12.913 3.607 590 HD2 ARG 84 1HD ARG 84 -1.952 14.132 4.784 591 HD3 ARG 84 2HD ARG 84 -0.876 13.521 3.527 592 HE ARG 84 HE ARG 84 -1.669 15.159 2.162 593 HH11 ARG 84 2HH1 ARG 84 -4.050 14.536 4.624 594 HH12 ARG 84 1HH1 ARG 84 -5.114 15.799 4.099 595 HH21 ARG 84 2HH2 ARG 84 -3.061 16.824 1.461 596 HH22 ARG 84 1HH2 ARG 84 -4.550 17.099 2.299 597 H ALA 85 H ALA 85 -4.661 10.403 2.361 598 HA ALA 85 HA ALA 85 -6.937 12.057 3.154 599 HB1 ALA 85 1HB ALA 85 -7.359 11.842 0.572 600 HB2 ALA 85 2HB ALA 85 -6.123 12.935 1.198 601 HB3 ALA 85 3HB ALA 85 -5.662 11.359 0.554 602 H GLY 86 H GLY 86 -6.258 8.881 3.223 603 HA2 GLY 86 1HA GLY 86 -8.488 7.703 1.918 604 HA3 GLY 86 2HA GLY 86 -7.492 6.943 3.151 605 H GLY 87 H GLY 87 -8.208 9.431 4.860 606 HA2 GLY 87 1HA GLY 87 -10.130 10.173 6.048 607 HA3 GLY 87 2HA GLY 87 -10.993 8.749 5.485 608 HA PRO 88 HA PRO 88 -9.896 7.964 9.885 609 HB2 PRO 88 1HB PRO 88 -12.242 6.729 10.472 610 HB3 PRO 88 2HB PRO 88 -12.039 8.484 10.531 611 HG2 PRO 88 1HG PRO 88 -13.241 6.787 8.377 612 HG3 PRO 88 2HG PRO 88 -13.813 8.331 9.036 613 HD2 PRO 88 1HD PRO 88 -12.463 8.156 6.695 614 HD3 PRO 88 2HD PRO 88 -12.333 9.563 7.770 615 H GLN 89 H GLN 89 -10.496 6.117 7.126 616 HA GLN 89 HA GLN 89 -9.599 3.676 8.509 617 HB2 GLN 89 1HB GLN 89 -11.764 4.061 6.493 618 HB3 GLN 89 2HB GLN 89 -10.835 2.568 6.443 619 HG2 GLN 89 1HG GLN 89 -12.090 3.526 8.986 620 HG3 GLN 89 2HG GLN 89 -13.013 2.615 7.792 621 HE21 GLN 89 1HE2 GLN 89 -13.106 0.534 8.177 622 HE22 GLN 89 2HE2 GLN 89 -11.903 -0.417 8.972 623 H LEU 90 H LEU 90 -7.737 2.878 7.796 624 HA LEU 90 HA LEU 90 -6.560 4.001 5.376 625 HB2 LEU 90 1HB LEU 90 -4.949 4.084 6.981 626 HB3 LEU 90 2HB LEU 90 -5.545 2.645 7.806 627 HG LEU 90 HG LEU 90 -4.222 2.331 5.153 628 HD11 LEU 90 1HD1 LEU 90 -2.969 3.671 7.289 629 HD12 LEU 90 2HD1 LEU 90 -2.235 3.057 5.808 630 HD13 LEU 90 3HD1 LEU 90 -2.302 2.039 7.247 631 HD21 LEU 90 1HD2 LEU 90 -3.332 0.365 6.777 632 HD22 LEU 90 2HD2 LEU 90 -4.797 0.254 5.801 633 HD23 LEU 90 3HD2 LEU 90 -4.903 0.700 7.505 634 H HIS 91 H HIS 91 -6.286 2.907 3.529 635 HA HIS 91 HA HIS 91 -6.750 0.000 3.548 636 HB2 HIS 91 1HB HIS 91 -8.638 1.562 2.609 637 HB3 HIS 91 2HB HIS 91 -7.584 1.666 1.201 638 HD1 HIS 91 1HD HIS 91 -7.962 -0.081 -0.504 639 HD2 HIS 91 2HD HIS 91 -9.236 -1.297 3.260 640 HE1 HIS 91 1HE HIS 91 -9.015 -2.339 -0.847 641 HE2 HIS 91 2HE HIS 91 -9.854 -3.016 1.429 642 H LEU 92 H LEU 92 -5.003 -1.040 2.878 643 HA LEU 92 HA LEU 92 -3.408 0.119 0.701 644 HB2 LEU 92 1HB LEU 92 -2.098 -1.356 2.950 645 HB3 LEU 92 2HB LEU 92 -1.378 -0.262 1.770 646 HG LEU 92 HG LEU 92 -3.240 0.637 3.964 647 HD11 LEU 92 1HD1 LEU 92 -0.226 0.635 3.906 648 HD12 LEU 92 2HD1 LEU 92 -1.250 -0.340 4.958 649 HD13 LEU 92 3HD1 LEU 92 -1.231 1.415 5.127 650 HD21 LEU 92 1HD2 LEU 92 -2.003 1.908 1.678 651 HD22 LEU 92 2HD2 LEU 92 -1.536 2.687 3.190 652 HD23 LEU 92 3HD2 LEU 92 -3.243 2.517 2.775 653 H VAL 93 H VAL 93 -2.946 -1.267 -0.891 654 HA VAL 93 HA VAL 93 -3.785 -4.047 -0.578 655 HB VAL 93 HB VAL 93 -2.841 -2.745 -3.125 656 HG11 VAL 93 1HG1 VAL 93 -3.132 -5.291 -2.818 657 HG12 VAL 93 2HG1 VAL 93 -4.862 -4.940 -2.850 658 HG13 VAL 93 3HG1 VAL 93 -3.850 -4.522 -4.233 659 HG21 VAL 93 1HG2 VAL 93 -5.502 -2.586 -1.766 660 HG22 VAL 93 2HG2 VAL 93 -4.577 -1.313 -2.564 661 HG23 VAL 93 3HG2 VAL 93 -5.394 -2.545 -3.526 662 H ILE 94 H ILE 94 -2.274 -5.380 0.181 663 HA ILE 94 HA ILE 94 0.472 -5.112 -0.857 664 HB ILE 94 HB ILE 94 -0.404 -6.283 1.786 665 HG12 ILE 94 1HG1 ILE 94 -0.568 -3.841 1.747 666 HG13 ILE 94 2HG1 ILE 94 0.770 -4.353 2.769 667 HG21 ILE 94 1HG2 ILE 94 2.114 -6.224 2.199 668 HG22 ILE 94 2HG2 ILE 94 1.497 -7.488 1.137 669 HG23 ILE 94 3HG2 ILE 94 2.275 -6.062 0.450 670 HD11 ILE 94 1HD1 ILE 94 0.790 -2.584 0.548 671 HD12 ILE 94 2HD1 ILE 94 2.115 -3.031 1.623 672 HD13 ILE 94 3HD1 ILE 94 1.799 -3.980 0.171 673 H ARG 95 H ARG 95 1.593 -6.981 -1.448 674 HA ARG 95 HA ARG 95 0.041 -9.472 -1.549 675 HB2 ARG 95 1HB ARG 95 -0.285 -8.681 -3.734 676 HB3 ARG 95 2HB ARG 95 1.348 -8.036 -3.840 677 HG2 ARG 95 1HG ARG 95 2.163 -10.424 -3.756 678 HG3 ARG 95 2HG ARG 95 0.480 -10.907 -3.981 679 HD2 ARG 95 1HD ARG 95 1.229 -10.881 -6.154 680 HD3 ARG 95 2HD ARG 95 0.582 -9.249 -5.998 681 HE ARG 95 HE ARG 95 3.357 -9.390 -5.332 682 HH11 ARG 95 2HH1 ARG 95 1.098 -9.194 -7.974 683 HH12 ARG 95 1HH1 ARG 95 2.227 -8.444 -9.054 684 HH21 ARG 95 2HH2 ARG 95 4.852 -8.403 -6.745 685 HH22 ARG 95 1HH2 ARG 95 4.362 -7.996 -8.354 686 H ARG 96 H ARG 96 1.228 -10.626 -0.122 687 HA ARG 96 HA ARG 96 3.978 -10.470 0.289 688 HB2 ARG 96 1HB ARG 96 1.926 -12.586 0.837 689 HB3 ARG 96 2HB ARG 96 3.627 -12.915 1.138 690 HG2 ARG 96 1HG ARG 96 3.763 -11.148 2.733 691 HG3 ARG 96 2HG ARG 96 2.147 -10.575 2.313 692 HD2 ARG 96 1HD ARG 96 1.102 -12.347 3.374 693 HD3 ARG 96 2HD ARG 96 2.532 -13.374 3.286 694 HE ARG 96 HE ARG 96 3.323 -12.408 5.227 695 HH11 ARG 96 2HH1 ARG 96 0.538 -10.668 4.068 696 HH12 ARG 96 1HH1 ARG 96 0.350 -9.743 5.521 697 HH21 ARG 96 2HH2 ARG 96 3.084 -11.196 7.144 698 HH22 ARG 96 1HH2 ARG 96 1.799 -10.044 7.270 699 HA PRO 97 HA PRO 97 5.448 -12.324 -3.481 700 HB2 PRO 97 1HB PRO 97 8.080 -12.257 -2.822 701 HB3 PRO 97 2HB PRO 97 7.187 -10.827 -3.354 702 HG2 PRO 97 1HG PRO 97 7.899 -11.692 -0.577 703 HG3 PRO 97 2HG PRO 97 7.972 -10.073 -1.299 704 HD2 PRO 97 1HD PRO 97 5.944 -10.860 0.314 705 HD3 PRO 97 2HD PRO 97 5.713 -9.710 -1.018 706 H LEU 98 H LEU 98 7.363 -14.034 -3.837 707 HA LEU 98 HA LEU 98 6.654 -16.321 -2.143 708 HB2 LEU 98 1HB LEU 98 6.449 -16.239 -4.740 709 HB3 LEU 98 2HB LEU 98 8.185 -16.540 -4.701 710 HG LEU 98 HG LEU 98 6.347 -18.356 -3.202 711 HD11 LEU 98 1HD1 LEU 98 7.014 -18.980 -6.032 712 HD12 LEU 98 2HD1 LEU 98 5.653 -17.910 -5.699 713 HD13 LEU 98 3HD1 LEU 98 5.673 -19.543 -5.034 714 HD21 LEU 98 1HD2 LEU 98 8.180 -19.599 -2.987 715 HD22 LEU 98 2HD2 LEU 98 9.086 -18.225 -3.621 716 HD23 LEU 98 3HD2 LEU 98 8.536 -19.498 -4.711 717 H SER 99 H SER 99 9.557 -15.363 -3.983 718 HA SER 99 HA SER 99 11.235 -16.578 -1.941 719 HB2 SER 99 1HB SER 99 11.562 -16.779 -4.505 720 HB3 SER 99 2HB SER 99 12.257 -15.162 -4.392 721 HG SER 99 HG SER 99 13.301 -17.575 -3.631 722 H GLY 100 H GLY 100 11.207 -13.443 -3.657 723 HA2 GLY 100 1HA GLY 100 11.223 -11.340 -2.529 724 HA3 GLY 100 2HA GLY 100 11.904 -12.138 -1.119 725 HA PRO 101 HA PRO 101 15.427 -11.452 -4.407 726 HB2 PRO 101 1HB PRO 101 14.932 -9.444 -6.166 727 HB3 PRO 101 2HB PRO 101 14.529 -11.133 -6.498 728 HG2 PRO 101 1HG PRO 101 12.758 -8.917 -5.543 729 HG3 PRO 101 2HG PRO 101 12.436 -10.157 -6.768 730 HD2 PRO 101 1HD PRO 101 11.489 -10.329 -4.237 731 HD3 PRO 101 2HD PRO 101 11.926 -11.760 -5.192 732 H SER 102 H SER 102 17.049 -9.729 -4.522 733 HA SER 102 HA SER 102 16.437 -7.424 -2.798 734 HB2 SER 102 1HB SER 102 17.706 -9.322 -1.627 735 HB3 SER 102 2HB SER 102 19.068 -8.893 -2.661 736 HG SER 102 HG SER 102 19.232 -6.963 -1.672 737 H SER 103 H SER 103 17.084 -5.524 -3.587 738 HA SER 103 HA SER 103 18.865 -5.547 -5.931 739 HB2 SER 103 1HB SER 103 17.814 -3.340 -6.479 740 HB3 SER 103 2HB SER 103 16.677 -4.687 -6.486 741 HG SER 103 HG SER 103 16.561 -2.453 -5.062 742 H GLY 104 H GLY 104 20.037 -5.671 -3.421 743 HA2 GLY 104 1HA GLY 104 20.875 -2.940 -2.776 744 HA3 GLY 104 2HA GLY 104 21.214 -4.378 -1.825 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -23.570 -17.040 0.538 2 HA2 GLY 1 1HA GLY 1 -22.665 -14.238 0.803 3 HA3 GLY 1 2HA GLY 1 -21.911 -15.587 1.639 4 H SER 2 H SER 2 -20.179 -16.490 0.732 5 HA SER 2 HA SER 2 -19.449 -15.631 -1.968 6 HB2 SER 2 1HB SER 2 -17.743 -17.068 0.077 7 HB3 SER 2 2HB SER 2 -17.189 -16.291 -1.406 8 HG SER 2 HG SER 2 -18.105 -14.309 -0.448 9 H SER 3 H SER 3 -18.092 -17.355 -3.187 10 HA SER 3 HA SER 3 -19.697 -19.817 -3.236 11 HB2 SER 3 1HB SER 3 -18.755 -20.047 -5.579 12 HB3 SER 3 2HB SER 3 -19.832 -18.672 -5.330 13 HG SER 3 HG SER 3 -17.078 -18.320 -4.955 14 H GLY 4 H GLY 4 -18.762 -21.452 -2.199 15 HA2 GLY 4 1HA GLY 4 -17.200 -23.048 -1.652 16 HA3 GLY 4 2HA GLY 4 -16.223 -22.451 -2.985 17 H SER 5 H SER 5 -14.521 -23.043 -1.345 18 HA SER 5 HA SER 5 -14.136 -21.628 1.028 19 HB2 SER 5 1HB SER 5 -12.830 -23.616 0.482 20 HB3 SER 5 2HB SER 5 -12.065 -22.770 -0.863 21 HG SER 5 HG SER 5 -11.089 -21.382 0.621 22 H SER 6 H SER 6 -13.171 -19.716 1.549 23 HA SER 6 HA SER 6 -12.331 -17.994 -0.689 24 HB2 SER 6 1HB SER 6 -14.560 -17.345 0.225 25 HB3 SER 6 2HB SER 6 -13.803 -17.084 1.796 26 HG SER 6 HG SER 6 -13.600 -15.130 0.988 27 H GLY 7 H GLY 7 -11.025 -16.061 0.136 28 HA2 GLY 7 1HA GLY 7 -9.330 -15.170 1.460 29 HA3 GLY 7 2HA GLY 7 -9.523 -16.520 2.568 30 H GLN 8 H GLN 8 -7.374 -15.115 0.597 31 HA GLN 8 HA GLN 8 -5.992 -17.663 0.085 32 HB2 GLN 8 1HB GLN 8 -6.427 -15.341 -1.749 33 HB3 GLN 8 2HB GLN 8 -4.948 -16.282 -1.895 34 HG2 GLN 8 1HG GLN 8 -7.671 -17.543 -1.941 35 HG3 GLN 8 2HG GLN 8 -6.876 -16.936 -3.393 36 HE21 GLN 8 1HE2 GLN 8 -4.677 -17.802 -3.802 37 HE22 GLN 8 2HE2 GLN 8 -4.387 -19.465 -3.438 38 H ALA 9 H ALA 9 -3.632 -17.458 -0.063 39 HA ALA 9 HA ALA 9 -2.661 -15.595 1.952 40 HB1 ALA 9 1HB ALA 9 -1.342 -17.940 0.593 41 HB2 ALA 9 2HB ALA 9 -0.579 -16.940 1.830 42 HB3 ALA 9 3HB ALA 9 -2.010 -17.892 2.225 43 H SER 10 H SER 10 -1.523 -16.678 -1.256 44 HA SER 10 HA SER 10 0.244 -14.475 -1.572 45 HB2 SER 10 1HB SER 10 0.700 -16.539 -2.744 46 HB3 SER 10 2HB SER 10 -0.854 -16.460 -3.576 47 HG SER 10 HG SER 10 0.688 -14.221 -3.913 48 H GLY 11 H GLY 11 -2.924 -15.254 -2.999 49 HA2 GLY 11 1HA GLY 11 -3.405 -13.294 -4.748 50 HA3 GLY 11 2HA GLY 11 -4.622 -13.768 -3.571 51 H HIS 12 H HIS 12 -4.015 -11.143 -4.810 52 HA HIS 12 HA HIS 12 -2.786 -9.419 -2.965 53 HB2 HIS 12 1HB HIS 12 -5.058 -8.441 -4.640 54 HB3 HIS 12 2HB HIS 12 -3.498 -7.689 -4.318 55 HD1 HIS 12 1HD HIS 12 -5.155 -8.758 -7.091 56 HD2 HIS 12 2HD HIS 12 -1.454 -9.829 -5.535 57 HE1 HIS 12 1HE HIS 12 -3.857 -9.699 -9.029 58 HE2 HIS 12 2HE HIS 12 -1.653 -10.419 -8.045 59 H PHE 13 H PHE 13 -3.497 -8.349 -1.196 60 HA PHE 13 HA PHE 13 -6.329 -8.607 -0.459 61 HB2 PHE 13 1HB PHE 13 -5.709 -9.120 1.855 62 HB3 PHE 13 2HB PHE 13 -5.078 -10.340 0.754 63 HD1 PHE 13 1HD PHE 13 -2.702 -10.540 0.345 64 HD2 PHE 13 2HD PHE 13 -4.235 -7.608 3.023 65 HE1 PHE 13 1HE PHE 13 -0.443 -10.195 1.256 66 HE2 PHE 13 2HE PHE 13 -1.979 -7.259 3.938 67 HZ PHE 13 HZ PHE 13 -0.078 -8.552 3.054 68 H SER 14 H SER 14 -6.840 -7.146 1.465 69 HA SER 14 HA SER 14 -5.399 -4.598 1.125 70 HB2 SER 14 1HB SER 14 -7.506 -3.450 1.591 71 HB3 SER 14 2HB SER 14 -7.709 -4.560 0.235 72 HG SER 14 HG SER 14 -8.588 -4.860 2.905 73 H VAL 15 H VAL 15 -5.203 -3.229 2.969 74 HA VAL 15 HA VAL 15 -5.305 -4.707 5.517 75 HB VAL 15 HB VAL 15 -3.463 -2.435 4.758 76 HG11 VAL 15 1HG1 VAL 15 -2.482 -3.792 6.990 77 HG12 VAL 15 2HG1 VAL 15 -3.191 -2.177 6.950 78 HG13 VAL 15 3HG1 VAL 15 -4.205 -3.579 7.297 79 HG21 VAL 15 1HG2 VAL 15 -3.222 -4.902 3.797 80 HG22 VAL 15 2HG2 VAL 15 -1.823 -3.937 4.268 81 HG23 VAL 15 3HG2 VAL 15 -2.460 -5.160 5.367 82 H GLU 16 H GLU 16 -6.690 -3.989 6.988 83 HA GLU 16 HA GLU 16 -7.706 -1.238 6.733 84 HB2 GLU 16 1HB GLU 16 -9.094 -3.332 8.357 85 HB3 GLU 16 2HB GLU 16 -9.769 -1.936 7.528 86 HG2 GLU 16 1HG GLU 16 -9.332 -3.052 5.370 87 HG3 GLU 16 2HG GLU 16 -8.770 -4.471 6.252 88 H LEU 17 H LEU 17 -7.566 0.158 8.409 89 HA LEU 17 HA LEU 17 -6.967 -0.739 11.083 90 HB2 LEU 17 1HB LEU 17 -4.968 0.950 9.589 91 HB3 LEU 17 2HB LEU 17 -4.886 0.515 11.295 92 HG LEU 17 HG LEU 17 -4.761 -1.482 9.039 93 HD11 LEU 17 1HD1 LEU 17 -2.835 -0.097 8.828 94 HD12 LEU 17 2HD1 LEU 17 -2.332 -1.588 9.624 95 HD13 LEU 17 3HD1 LEU 17 -2.557 -0.116 10.570 96 HD21 LEU 17 1HD2 LEU 17 -5.527 -2.178 11.369 97 HD22 LEU 17 2HD2 LEU 17 -3.879 -1.827 11.890 98 HD23 LEU 17 3HD2 LEU 17 -4.173 -3.064 10.667 99 H VAL 18 H VAL 18 -7.164 0.923 12.656 100 HA VAL 18 HA VAL 18 -8.694 3.232 11.681 101 HB VAL 18 HB VAL 18 -8.544 2.031 14.449 102 HG11 VAL 18 1HG1 VAL 18 -10.296 3.598 15.059 103 HG12 VAL 18 2HG1 VAL 18 -8.867 4.468 14.500 104 HG13 VAL 18 3HG1 VAL 18 -10.265 4.293 13.439 105 HG21 VAL 18 1HG2 VAL 18 -10.375 0.830 13.970 106 HG22 VAL 18 2HG2 VAL 18 -11.115 2.141 13.052 107 HG23 VAL 18 3HG2 VAL 18 -9.920 1.094 12.287 108 H ARG 19 H ARG 19 -7.680 5.114 11.569 109 HA ARG 19 HA ARG 19 -5.146 5.757 12.180 110 HB2 ARG 19 1HB ARG 19 -6.849 7.243 11.073 111 HB3 ARG 19 2HB ARG 19 -7.427 7.672 12.678 112 HG2 ARG 19 1HG ARG 19 -5.354 8.704 13.234 113 HG3 ARG 19 2HG ARG 19 -4.592 8.086 11.767 114 HD2 ARG 19 1HD ARG 19 -5.065 10.224 11.105 115 HD3 ARG 19 2HD ARG 19 -6.542 9.407 10.595 116 HE ARG 19 HE ARG 19 -7.687 10.689 12.088 117 HH11 ARG 19 2HH1 ARG 19 -4.344 10.592 13.054 118 HH12 ARG 19 1HH1 ARG 19 -4.553 11.714 14.358 119 HH21 ARG 19 2HH2 ARG 19 -7.975 12.167 13.801 120 HH22 ARG 19 1HH2 ARG 19 -6.619 12.609 14.782 121 H GLY 20 H GLY 20 -4.136 5.128 14.005 122 HA2 GLY 20 1HA GLY 20 -5.371 5.287 16.591 123 HA3 GLY 20 2HA GLY 20 -3.704 4.841 16.256 124 H TYR 21 H TYR 21 -2.436 6.110 17.437 125 HA TYR 21 HA TYR 21 -3.142 8.940 17.743 126 HB2 TYR 21 1HB TYR 21 -1.689 8.980 19.649 127 HB3 TYR 21 2HB TYR 21 -2.692 7.540 19.781 128 HD1 TYR 21 2HD TYR 21 -1.676 5.314 19.038 129 HD2 TYR 21 1HD TYR 21 0.646 8.816 19.709 130 HE1 TYR 21 2HE TYR 21 0.341 3.926 19.264 131 HE2 TYR 21 1HE TYR 21 2.670 7.437 19.937 132 HH TYR 21 HH TYR 21 2.924 4.364 18.914 133 H ALA 22 H ALA 22 -2.183 10.358 16.461 134 HA ALA 22 HA ALA 22 -0.593 11.457 15.251 135 HB1 ALA 22 1HB ALA 22 0.846 10.250 17.276 136 HB2 ALA 22 2HB ALA 22 1.693 9.758 15.809 137 HB3 ALA 22 3HB ALA 22 1.445 11.470 16.151 138 H GLY 23 H GLY 23 -2.143 9.624 13.935 139 HA2 GLY 23 1HA GLY 23 -2.101 8.898 11.704 140 HA3 GLY 23 2HA GLY 23 -0.346 8.850 11.775 141 H PHE 24 H PHE 24 -0.575 6.779 10.690 142 HA PHE 24 HA PHE 24 -1.583 4.607 12.373 143 HB2 PHE 24 1HB PHE 24 -0.765 4.713 9.467 144 HB3 PHE 24 2HB PHE 24 -1.180 3.217 10.297 145 HD1 PHE 24 1HD PHE 24 -3.468 2.780 11.006 146 HD2 PHE 24 2HD PHE 24 -2.446 6.314 8.866 147 HE1 PHE 24 1HE PHE 24 -5.848 3.166 10.513 148 HE2 PHE 24 2HE PHE 24 -4.823 6.707 8.371 149 HZ PHE 24 HZ PHE 24 -6.528 5.132 9.196 150 H GLY 25 H GLY 25 1.278 6.201 11.761 151 HA2 GLY 25 1HA GLY 25 3.438 5.766 12.418 152 HA3 GLY 25 2HA GLY 25 2.826 4.343 13.248 153 H LEU 26 H LEU 26 2.332 4.829 9.829 154 HA LEU 26 HA LEU 26 4.108 2.543 9.316 155 HB2 LEU 26 1HB LEU 26 1.609 2.489 8.745 156 HB3 LEU 26 2HB LEU 26 2.019 3.593 7.434 157 HG LEU 26 HG LEU 26 3.541 1.879 6.511 158 HD11 LEU 26 1HD1 LEU 26 4.191 0.151 7.732 159 HD12 LEU 26 2HD1 LEU 26 2.525 -0.416 7.834 160 HD13 LEU 26 3HD1 LEU 26 3.156 0.689 9.054 161 HD21 LEU 26 1HD2 LEU 26 0.643 1.200 6.924 162 HD22 LEU 26 2HD2 LEU 26 1.697 0.251 5.875 163 HD23 LEU 26 3HD2 LEU 26 1.406 1.956 5.525 164 H THR 27 H THR 27 5.894 2.808 8.145 165 HA THR 27 HA THR 27 6.167 5.275 6.553 166 HB THR 27 HB THR 27 8.343 3.888 8.131 167 HG1 THR 27 1HG THR 27 7.431 6.532 8.535 168 HG21 THR 27 1HG2 THR 27 9.453 6.203 7.467 169 HG22 THR 27 2HG2 THR 27 8.359 6.053 6.091 170 HG23 THR 27 3HG2 THR 27 9.551 4.794 6.412 171 H LEU 28 H LEU 28 6.960 5.082 4.520 172 HA LEU 28 HA LEU 28 7.576 2.357 3.599 173 HB2 LEU 28 1HB LEU 28 6.221 4.690 2.348 174 HB3 LEU 28 2HB LEU 28 7.119 3.589 1.305 175 HG LEU 28 HG LEU 28 5.069 2.493 3.182 176 HD11 LEU 28 1HD1 LEU 28 3.458 3.706 2.243 177 HD12 LEU 28 2HD1 LEU 28 3.760 2.787 0.768 178 HD13 LEU 28 3HD1 LEU 28 4.548 4.346 1.013 179 HD21 LEU 28 1HD2 LEU 28 5.630 1.620 0.379 180 HD22 LEU 28 2HD2 LEU 28 5.044 0.680 1.751 181 HD23 LEU 28 3HD2 LEU 28 6.735 1.180 1.682 182 H GLY 29 H GLY 29 9.466 1.919 2.585 183 HA2 GLY 29 1HA GLY 29 11.323 4.189 2.211 184 HA3 GLY 29 2HA GLY 29 11.835 2.614 2.799 185 H GLY 30 H GLY 30 11.537 4.578 0.101 186 HA2 GLY 30 1HA GLY 30 12.771 3.777 -1.873 187 HA3 GLY 30 2HA GLY 30 11.928 2.248 -1.674 188 H GLY 31 H GLY 31 10.518 1.973 -3.266 189 HA2 GLY 31 1HA GLY 31 8.631 2.362 -4.544 190 HA3 GLY 31 2HA GLY 31 8.423 3.890 -3.702 191 H ARG 32 H ARG 32 7.784 4.462 -5.992 192 HA ARG 32 HA ARG 32 9.959 4.803 -7.864 193 HB2 ARG 32 1HB ARG 32 7.597 4.261 -8.543 194 HB3 ARG 32 2HB ARG 32 7.147 5.889 -8.054 195 HG2 ARG 32 1HG ARG 32 8.560 6.849 -9.735 196 HG3 ARG 32 2HG ARG 32 9.212 5.262 -10.150 197 HD2 ARG 32 1HD ARG 32 6.276 5.848 -10.340 198 HD3 ARG 32 2HD ARG 32 7.380 6.260 -11.652 199 HE ARG 32 HE ARG 32 6.510 3.619 -10.867 200 HH11 ARG 32 2HH1 ARG 32 8.864 5.504 -12.606 201 HH12 ARG 32 1HH1 ARG 32 9.339 4.198 -13.640 202 HH21 ARG 32 2HH2 ARG 32 7.127 1.891 -12.222 203 HH22 ARG 32 1HH2 ARG 32 8.350 2.143 -13.421 204 H ASP 33 H ASP 33 11.416 6.314 -7.318 205 HA ASP 33 HA ASP 33 10.404 9.001 -6.656 206 HB2 ASP 33 1HB ASP 33 11.608 7.680 -4.791 207 HB3 ASP 33 2HB ASP 33 13.075 7.983 -5.718 208 H VAL 34 H VAL 34 11.699 10.782 -7.387 209 HA VAL 34 HA VAL 34 12.609 10.494 -10.040 210 HB VAL 34 HB VAL 34 13.519 12.851 -9.687 211 HG11 VAL 34 1HG1 VAL 34 11.279 13.838 -9.669 212 HG12 VAL 34 2HG1 VAL 34 11.344 12.401 -10.691 213 HG13 VAL 34 3HG1 VAL 34 10.612 12.312 -9.088 214 HG21 VAL 34 1HG2 VAL 34 12.975 12.123 -6.970 215 HG22 VAL 34 2HG2 VAL 34 13.755 13.574 -7.598 216 HG23 VAL 34 3HG2 VAL 34 12.002 13.524 -7.418 217 H ALA 35 H ALA 35 14.157 9.947 -7.065 218 HA ALA 35 HA ALA 35 16.840 10.402 -8.098 219 HB1 ALA 35 1HB ALA 35 17.494 10.512 -5.962 220 HB2 ALA 35 2HB ALA 35 15.772 10.596 -5.588 221 HB3 ALA 35 3HB ALA 35 16.614 9.048 -5.519 222 H GLY 36 H GLY 36 14.596 7.803 -7.622 223 HA2 GLY 36 1HA GLY 36 16.180 6.000 -9.149 224 HA3 GLY 36 2HA GLY 36 16.254 5.593 -7.441 225 H ASP 37 H ASP 37 15.241 3.777 -9.199 226 HA ASP 37 HA ASP 37 12.335 3.906 -8.722 227 HB2 ASP 37 1HB ASP 37 11.980 2.584 -10.676 228 HB3 ASP 37 2HB ASP 37 13.099 3.865 -11.131 229 H THR 38 H THR 38 11.726 2.653 -7.097 230 HA THR 38 HA THR 38 12.766 -0.069 -6.918 231 HB THR 38 HB THR 38 12.797 0.361 -4.314 232 HG1 THR 38 1HG THR 38 12.282 2.735 -5.006 233 HG21 THR 38 1HG2 THR 38 14.788 -0.434 -5.107 234 HG22 THR 38 2HG2 THR 38 15.281 1.216 -4.723 235 HG23 THR 38 3HG2 THR 38 14.888 0.776 -6.385 236 HA PRO 39 HA PRO 39 8.587 -1.066 -5.995 237 HB2 PRO 39 1HB PRO 39 8.927 -3.335 -4.543 238 HB3 PRO 39 2HB PRO 39 9.184 -3.265 -6.291 239 HG2 PRO 39 1HG PRO 39 11.194 -3.155 -4.075 240 HG3 PRO 39 2HG PRO 39 11.265 -4.046 -5.606 241 HD2 PRO 39 1HD PRO 39 12.563 -1.701 -5.225 242 HD3 PRO 39 2HD PRO 39 11.913 -2.187 -6.804 243 H LEU 40 H LEU 40 7.244 -0.164 -4.576 244 HA LEU 40 HA LEU 40 8.041 0.893 -2.107 245 HB2 LEU 40 1HB LEU 40 5.423 0.404 -3.440 246 HB3 LEU 40 2HB LEU 40 5.437 0.847 -1.735 247 HG LEU 40 HG LEU 40 6.617 2.489 -3.975 248 HD11 LEU 40 1HD1 LEU 40 4.030 2.721 -2.454 249 HD12 LEU 40 2HD1 LEU 40 4.250 2.529 -4.193 250 HD13 LEU 40 3HD1 LEU 40 4.727 4.033 -3.405 251 HD21 LEU 40 1HD2 LEU 40 7.828 2.930 -1.983 252 HD22 LEU 40 2HD2 LEU 40 6.356 2.953 -1.011 253 HD23 LEU 40 3HD2 LEU 40 6.668 4.244 -2.172 254 H ALA 41 H ALA 41 8.176 0.070 -0.114 255 HA ALA 41 HA ALA 41 6.660 -2.267 0.661 256 HB1 ALA 41 1HB ALA 41 8.619 -3.242 -0.472 257 HB2 ALA 41 2HB ALA 41 9.673 -2.399 0.663 258 HB3 ALA 41 3HB ALA 41 8.564 -3.640 1.245 259 H VAL 42 H VAL 42 6.569 -2.573 2.903 260 HA VAL 42 HA VAL 42 6.662 -0.311 4.500 261 HB VAL 42 HB VAL 42 6.814 -3.203 5.360 262 HG11 VAL 42 1HG1 VAL 42 7.263 -0.952 6.919 263 HG12 VAL 42 2HG1 VAL 42 5.577 -1.371 7.229 264 HG13 VAL 42 3HG1 VAL 42 6.847 -2.566 7.494 265 HG21 VAL 42 1HG2 VAL 42 4.306 -2.361 5.932 266 HG22 VAL 42 2HG2 VAL 42 4.640 -1.429 4.472 267 HG23 VAL 42 3HG2 VAL 42 4.756 -3.189 4.441 268 H ARG 43 H ARG 43 8.173 0.682 5.703 269 HA ARG 43 HA ARG 43 10.882 -0.456 5.668 270 HB2 ARG 43 1HB ARG 43 10.484 1.803 4.629 271 HB3 ARG 43 2HB ARG 43 10.094 2.403 6.236 272 HG2 ARG 43 1HG ARG 43 12.702 1.037 5.725 273 HG3 ARG 43 2HG ARG 43 12.476 2.735 5.304 274 HD2 ARG 43 1HD ARG 43 11.770 3.171 7.638 275 HD3 ARG 43 2HD ARG 43 12.129 1.489 8.028 276 HE ARG 43 HE ARG 43 14.386 2.719 6.857 277 HH11 ARG 43 2HH1 ARG 43 12.535 2.656 9.805 278 HH12 ARG 43 1HH1 ARG 43 13.877 3.093 10.811 279 HH21 ARG 43 2HH2 ARG 43 16.160 3.295 8.170 280 HH22 ARG 43 1HH2 ARG 43 15.938 3.457 9.879 281 H GLY 44 H GLY 44 9.201 1.834 7.824 282 HA2 GLY 44 1HA GLY 44 10.192 0.228 10.099 283 HA3 GLY 44 2HA GLY 44 10.067 1.980 10.129 284 H LEU 45 H LEU 45 8.834 -0.260 11.760 285 HA LEU 45 HA LEU 45 6.009 0.474 11.376 286 HB2 LEU 45 1HB LEU 45 7.337 -1.992 12.423 287 HB3 LEU 45 2HB LEU 45 5.690 -1.598 12.911 288 HG LEU 45 HG LEU 45 6.525 -1.898 10.033 289 HD11 LEU 45 1HD1 LEU 45 4.962 -4.085 10.786 290 HD12 LEU 45 2HD1 LEU 45 6.188 -3.929 12.042 291 HD13 LEU 45 3HD1 LEU 45 6.672 -4.088 10.354 292 HD21 LEU 45 1HD2 LEU 45 3.781 -2.234 11.185 293 HD22 LEU 45 2HD2 LEU 45 4.258 -1.865 9.527 294 HD23 LEU 45 3HD2 LEU 45 4.403 -0.633 10.782 295 H LEU 46 H LEU 46 5.549 2.134 12.680 296 HA LEU 46 HA LEU 46 6.837 2.953 14.958 297 HB2 LEU 46 1HB LEU 46 4.817 3.943 13.579 298 HB3 LEU 46 2HB LEU 46 3.872 3.201 14.868 299 HG LEU 46 HG LEU 46 4.355 5.626 15.192 300 HD11 LEU 46 1HD1 LEU 46 4.413 5.394 17.449 301 HD12 LEU 46 2HD1 LEU 46 5.743 4.237 17.411 302 HD13 LEU 46 3HD1 LEU 46 4.107 3.711 17.018 303 HD21 LEU 46 1HD2 LEU 46 6.517 6.408 15.671 304 HD22 LEU 46 2HD2 LEU 46 6.703 5.407 14.231 305 HD23 LEU 46 3HD2 LEU 46 7.169 4.776 15.811 306 H LYS 47 H LYS 47 7.319 1.753 16.676 307 HA LYS 47 HA LYS 47 6.212 -0.571 17.554 308 HB2 LYS 47 1HB LYS 47 8.238 0.229 18.542 309 HB3 LYS 47 2HB LYS 47 7.438 1.665 19.167 310 HG2 LYS 47 1HG LYS 47 7.750 0.224 21.003 311 HG3 LYS 47 2HG LYS 47 6.037 0.128 20.588 312 HD2 LYS 47 1HD LYS 47 6.593 -1.927 19.242 313 HD3 LYS 47 2HD LYS 47 8.205 -1.868 19.957 314 HE2 LYS 47 1HE LYS 47 7.323 -2.179 22.150 315 HE3 LYS 47 2HE LYS 47 5.670 -1.957 21.581 316 HZ1 LYS 47 1HZ LYS 47 5.918 -3.996 20.269 317 HZ2 LYS 47 2HZ LYS 47 6.117 -4.281 21.924 318 HZ3 LYS 47 3HZ LYS 47 7.468 -4.222 20.909 319 H ASP 48 H ASP 48 4.732 -1.148 19.220 320 HA ASP 48 HA ASP 48 2.573 -1.125 19.996 321 HB2 ASP 48 1HB ASP 48 3.957 0.078 21.738 322 HB3 ASP 48 2HB ASP 48 3.375 1.591 21.047 323 H GLY 49 H GLY 49 2.502 -0.437 17.371 324 HA2 GLY 49 1HA GLY 49 0.561 1.793 17.307 325 HA3 GLY 49 2HA GLY 49 1.655 1.430 15.981 326 HA PRO 50 HA PRO 50 -2.527 -0.697 15.443 327 HB2 PRO 50 1HB PRO 50 -3.308 0.672 13.232 328 HB3 PRO 50 2HB PRO 50 -3.682 1.206 14.875 329 HG2 PRO 50 1HG PRO 50 -1.513 2.131 13.031 330 HG3 PRO 50 2HG PRO 50 -2.575 3.089 14.079 331 HD2 PRO 50 1HD PRO 50 -0.026 2.477 14.756 332 HD3 PRO 50 2HD PRO 50 -1.317 2.656 15.961 333 H ALA 51 H ALA 51 -0.261 0.486 12.964 334 HA ALA 51 HA ALA 51 -0.775 -1.638 11.141 335 HB1 ALA 51 1HB ALA 51 0.074 0.448 10.311 336 HB2 ALA 51 2HB ALA 51 1.516 0.313 11.318 337 HB3 ALA 51 3HB ALA 51 1.263 -0.813 9.985 338 H GLN 52 H GLN 52 1.370 -1.223 13.847 339 HA GLN 52 HA GLN 52 2.981 -3.533 13.150 340 HB2 GLN 52 1HB GLN 52 4.129 -1.696 14.198 341 HB3 GLN 52 2HB GLN 52 2.993 -1.688 15.541 342 HG2 GLN 52 1HG GLN 52 4.899 -2.717 16.390 343 HG3 GLN 52 2HG GLN 52 3.804 -4.050 16.027 344 HE21 GLN 52 1HE2 GLN 52 4.264 -5.422 14.312 345 HE22 GLN 52 2HE2 GLN 52 5.824 -5.483 13.573 346 H ARG 53 H ARG 53 0.450 -2.653 15.436 347 HA ARG 53 HA ARG 53 0.538 -5.007 16.990 348 HB2 ARG 53 1HB ARG 53 -1.448 -2.824 16.552 349 HB3 ARG 53 2HB ARG 53 -1.991 -4.297 17.344 350 HG2 ARG 53 1HG ARG 53 -0.296 -4.020 19.065 351 HG3 ARG 53 2HG ARG 53 0.295 -2.565 18.259 352 HD2 ARG 53 1HD ARG 53 -1.132 -1.931 20.093 353 HD3 ARG 53 2HD ARG 53 -1.932 -1.536 18.572 354 HE ARG 53 HE ARG 53 -2.669 -4.109 19.598 355 HH11 ARG 53 2HH1 ARG 53 -3.307 -0.691 19.767 356 HH12 ARG 53 1HH1 ARG 53 -4.935 -0.890 20.323 357 HH21 ARG 53 2HH2 ARG 53 -4.812 -4.384 20.329 358 HH22 ARG 53 1HH2 ARG 53 -5.790 -2.991 20.644 359 H CYS 54 H CYS 54 -1.521 -4.081 14.240 360 HA CYS 54 HA CYS 54 -3.055 -6.397 14.100 361 HB2 CYS 54 1HB CYS 54 -3.780 -5.644 12.025 362 HB3 CYS 54 2HB CYS 54 -3.224 -4.155 12.778 363 HG CYS 54 HG CYS 54 -2.499 -4.151 10.069 364 H GLY 55 H GLY 55 0.149 -5.706 12.809 365 HA2 GLY 55 1HA GLY 55 1.820 -7.238 12.294 366 HA3 GLY 55 2HA GLY 55 0.671 -8.540 12.560 367 H ARG 56 H ARG 56 -1.334 -7.631 10.755 368 HA ARG 56 HA ARG 56 -0.867 -8.948 8.475 369 HB2 ARG 56 1HB ARG 56 -2.313 -6.307 8.727 370 HB3 ARG 56 2HB ARG 56 -2.401 -7.342 7.308 371 HG2 ARG 56 1HG ARG 56 -3.119 -9.143 9.096 372 HG3 ARG 56 2HG ARG 56 -3.590 -7.704 10.002 373 HD2 ARG 56 1HD ARG 56 -5.484 -8.460 8.743 374 HD3 ARG 56 2HD ARG 56 -4.899 -6.960 8.023 375 HE ARG 56 HE ARG 56 -3.756 -9.238 6.759 376 HH11 ARG 56 2HH1 ARG 56 -6.656 -7.320 6.944 377 HH12 ARG 56 1HH1 ARG 56 -7.178 -7.720 5.341 378 HH21 ARG 56 2HH2 ARG 56 -4.433 -9.772 4.648 379 HH22 ARG 56 1HH2 ARG 56 -5.914 -9.116 4.036 380 H LEU 57 H LEU 57 0.416 -5.786 9.256 381 HA LEU 57 HA LEU 57 1.836 -5.752 6.677 382 HB2 LEU 57 1HB LEU 57 0.725 -3.620 8.415 383 HB3 LEU 57 2HB LEU 57 2.216 -3.265 7.545 384 HG LEU 57 HG LEU 57 -0.445 -4.017 6.339 385 HD11 LEU 57 1HD1 LEU 57 0.621 -1.584 5.363 386 HD12 LEU 57 2HD1 LEU 57 0.691 -1.533 7.124 387 HD13 LEU 57 3HD1 LEU 57 -0.844 -1.839 6.312 388 HD21 LEU 57 1HD2 LEU 57 0.973 -3.272 4.231 389 HD22 LEU 57 2HD2 LEU 57 0.946 -4.944 4.790 390 HD23 LEU 57 3HD2 LEU 57 2.300 -3.895 5.212 391 H GLU 58 H GLU 58 3.925 -6.214 6.743 392 HA GLU 58 HA GLU 58 5.480 -5.463 9.116 393 HB2 GLU 58 1HB GLU 58 6.710 -7.643 8.925 394 HB3 GLU 58 2HB GLU 58 5.044 -7.785 9.468 395 HG2 GLU 58 1HG GLU 58 4.328 -8.603 7.373 396 HG3 GLU 58 2HG GLU 58 5.852 -8.167 6.603 397 H VAL 59 H VAL 59 7.782 -5.306 8.731 398 HA VAL 59 HA VAL 59 8.439 -3.898 6.419 399 HB VAL 59 HB VAL 59 10.288 -5.360 8.311 400 HG11 VAL 59 1HG1 VAL 59 10.865 -4.162 5.830 401 HG12 VAL 59 2HG1 VAL 59 11.454 -3.058 7.074 402 HG13 VAL 59 3HG1 VAL 59 12.004 -4.734 7.049 403 HG21 VAL 59 1HG2 VAL 59 9.270 -2.524 8.248 404 HG22 VAL 59 2HG2 VAL 59 8.992 -3.737 9.498 405 HG23 VAL 59 3HG2 VAL 59 10.607 -3.069 9.261 406 H GLY 60 H GLY 60 8.828 -4.523 4.402 407 HA2 GLY 60 1HA GLY 60 10.244 -5.955 2.970 408 HA3 GLY 60 2HA GLY 60 9.711 -7.308 3.956 409 H ASP 61 H ASP 61 6.955 -5.981 3.981 410 HA ASP 61 HA ASP 61 5.772 -7.541 1.994 411 HB2 ASP 61 1HB ASP 61 4.820 -5.216 3.636 412 HB3 ASP 61 2HB ASP 61 3.794 -5.880 2.367 413 H LEU 62 H LEU 62 4.705 -6.955 0.038 414 HA LEU 62 HA LEU 62 5.961 -4.655 -1.304 415 HB2 LEU 62 1HB LEU 62 4.739 -7.062 -2.632 416 HB3 LEU 62 2HB LEU 62 5.759 -5.826 -3.366 417 HG LEU 62 HG LEU 62 6.705 -7.797 -1.287 418 HD11 LEU 62 1HD1 LEU 62 6.061 -8.962 -3.324 419 HD12 LEU 62 2HD1 LEU 62 7.815 -8.944 -3.139 420 HD13 LEU 62 3HD1 LEU 62 7.037 -7.850 -4.284 421 HD21 LEU 62 1HD2 LEU 62 8.120 -5.939 -1.205 422 HD22 LEU 62 2HD2 LEU 62 8.044 -5.686 -2.949 423 HD23 LEU 62 3HD2 LEU 62 8.940 -7.058 -2.294 424 H VAL 63 H VAL 63 4.674 -2.990 -1.691 425 HA VAL 63 HA VAL 63 1.777 -3.362 -1.651 426 HB VAL 63 HB VAL 63 3.092 -0.689 -1.953 427 HG11 VAL 63 1HG1 VAL 63 0.590 -1.671 -0.587 428 HG12 VAL 63 2HG1 VAL 63 1.154 0.001 -0.569 429 HG13 VAL 63 3HG1 VAL 63 0.690 -0.758 -2.092 430 HG21 VAL 63 1HG2 VAL 63 4.256 -0.965 -0.073 431 HG22 VAL 63 2HG2 VAL 63 2.711 -1.022 0.776 432 HG23 VAL 63 3HG2 VAL 63 3.489 -2.518 0.258 433 H LEU 64 H LEU 64 0.681 -3.582 -3.476 434 HA LEU 64 HA LEU 64 1.918 -2.802 -6.003 435 HB2 LEU 64 1HB LEU 64 -0.485 -4.483 -5.333 436 HB3 LEU 64 2HB LEU 64 -0.056 -4.033 -6.982 437 HG LEU 64 HG LEU 64 2.018 -5.274 -6.816 438 HD11 LEU 64 1HD1 LEU 64 2.332 -6.739 -4.766 439 HD12 LEU 64 2HD1 LEU 64 1.164 -5.688 -3.967 440 HD13 LEU 64 3HD1 LEU 64 2.678 -5.020 -4.575 441 HD21 LEU 64 1HD2 LEU 64 -0.187 -6.394 -7.391 442 HD22 LEU 64 2HD2 LEU 64 -0.166 -7.046 -5.752 443 HD23 LEU 64 3HD2 LEU 64 1.128 -7.453 -6.881 444 H HIS 65 H HIS 65 -0.951 -2.164 -4.055 445 HA HIS 65 HA HIS 65 -1.354 0.315 -5.545 446 HB2 HIS 65 1HB HIS 65 -3.592 -1.647 -5.006 447 HB3 HIS 65 2HB HIS 65 -3.759 -0.066 -5.763 448 HD1 HIS 65 1HD HIS 65 -1.419 -0.232 -7.769 449 HD2 HIS 65 2HD HIS 65 -4.169 -3.277 -7.113 450 HE1 HIS 65 1HE HIS 65 -1.394 -1.624 -9.863 451 HE2 HIS 65 2HE HIS 65 -3.127 -3.410 -9.476 452 H ILE 66 H ILE 66 -3.161 1.635 -4.421 453 HA ILE 66 HA ILE 66 -3.326 1.154 -1.556 454 HB ILE 66 HB ILE 66 -2.028 3.621 -2.712 455 HG12 ILE 66 1HG1 ILE 66 -1.012 1.666 -0.641 456 HG13 ILE 66 2HG1 ILE 66 -0.610 1.578 -2.352 457 HG21 ILE 66 1HG2 ILE 66 -1.897 3.889 0.005 458 HG22 ILE 66 2HG2 ILE 66 -3.048 4.712 -1.046 459 HG23 ILE 66 3HG2 ILE 66 -3.512 3.220 -0.227 460 HD11 ILE 66 1HD1 ILE 66 0.921 3.186 -2.184 461 HD12 ILE 66 2HD1 ILE 66 -0.110 4.194 -1.168 462 HD13 ILE 66 3HD1 ILE 66 0.831 2.888 -0.448 463 H ASN 67 H ASN 67 -5.242 1.768 -0.764 464 HA ASN 67 HA ASN 67 -7.383 2.540 -0.706 465 HB2 ASN 67 1HB ASN 67 -5.772 4.837 -1.701 466 HB3 ASN 67 2HB ASN 67 -7.525 4.974 -1.801 467 HD21 ASN 67 1HD2 ASN 67 -5.017 5.804 0.022 468 HD22 ASN 67 2HD2 ASN 67 -5.746 5.822 1.588 469 H GLY 68 H GLY 68 -6.975 0.766 -2.752 470 HA2 GLY 68 1HA GLY 68 -7.936 0.005 -4.692 471 HA3 GLY 68 2HA GLY 68 -9.174 1.223 -4.421 472 H GLU 69 H GLU 69 -5.981 2.415 -4.670 473 HA GLU 69 HA GLU 69 -6.523 3.271 -7.438 474 HB2 GLU 69 1HB GLU 69 -6.409 4.969 -5.421 475 HB3 GLU 69 2HB GLU 69 -4.675 4.797 -5.653 476 HG2 GLU 69 1HG GLU 69 -4.750 5.706 -7.799 477 HG3 GLU 69 2HG GLU 69 -6.492 5.470 -7.935 478 H SER 70 H SER 70 -4.831 3.286 -8.920 479 HA SER 70 HA SER 70 -2.749 1.357 -8.378 480 HB2 SER 70 1HB SER 70 -3.462 2.923 -10.867 481 HB3 SER 70 2HB SER 70 -2.164 1.732 -10.790 482 HG SER 70 HG SER 70 -4.032 0.360 -9.892 483 H THR 71 H THR 71 -0.628 1.744 -8.072 484 HA THR 71 HA THR 71 0.178 4.473 -7.545 485 HB THR 71 HB THR 71 1.954 3.629 -6.361 486 HG1 THR 71 1HG THR 71 1.914 1.365 -8.096 487 HG21 THR 71 1HG2 THR 71 0.270 1.132 -6.386 488 HG22 THR 71 2HG2 THR 71 -0.240 2.616 -5.581 489 HG23 THR 71 3HG2 THR 71 1.227 1.788 -5.059 490 H GLN 72 H GLN 72 0.010 2.684 -10.280 491 HA GLN 72 HA GLN 72 2.457 2.886 -11.552 492 HB2 GLN 72 1HB GLN 72 -0.374 2.877 -12.511 493 HB3 GLN 72 2HB GLN 72 0.911 3.223 -13.661 494 HG2 GLN 72 1HG GLN 72 1.977 1.095 -13.111 495 HG3 GLN 72 2HG GLN 72 0.686 0.749 -11.962 496 HE21 GLN 72 1HE2 GLN 72 -1.313 0.124 -12.705 497 HE22 GLN 72 2HE2 GLN 72 -1.608 -0.313 -14.350 498 H GLY 73 H GLY 73 0.174 5.375 -10.772 499 HA2 GLY 73 1HA GLY 73 1.804 7.311 -12.299 500 HA3 GLY 73 2HA GLY 73 0.087 7.514 -11.988 501 H LEU 74 H LEU 74 1.138 6.244 -9.218 502 HA LEU 74 HA LEU 74 1.581 8.894 -8.027 503 HB2 LEU 74 1HB LEU 74 0.724 6.352 -6.656 504 HB3 LEU 74 2HB LEU 74 0.766 7.970 -5.958 505 HG LEU 74 HG LEU 74 -1.017 7.287 -8.279 506 HD11 LEU 74 1HD1 LEU 74 -2.089 5.882 -6.903 507 HD12 LEU 74 2HD1 LEU 74 -2.674 7.351 -6.122 508 HD13 LEU 74 3HD1 LEU 74 -1.272 6.504 -5.468 509 HD21 LEU 74 1HD2 LEU 74 -1.938 9.234 -6.353 510 HD22 LEU 74 2HD2 LEU 74 -1.719 9.390 -8.096 511 HD23 LEU 74 3HD2 LEU 74 -0.359 9.670 -7.007 512 H THR 75 H THR 75 3.539 9.373 -7.305 513 HA THR 75 HA THR 75 5.604 7.364 -7.214 514 HB THR 75 HB THR 75 7.039 9.327 -6.450 515 HG1 THR 75 1HG THR 75 4.950 10.497 -5.837 516 HG21 THR 75 1HG2 THR 75 6.962 10.411 -8.719 517 HG22 THR 75 2HG2 THR 75 5.556 9.407 -9.075 518 HG23 THR 75 3HG2 THR 75 7.115 8.655 -8.740 519 H HIS 76 H HIS 76 7.233 7.799 -5.232 520 HA HIS 76 HA HIS 76 6.172 6.538 -3.022 521 HB2 HIS 76 1HB HIS 76 8.476 6.485 -3.033 522 HB3 HIS 76 2HB HIS 76 8.620 8.179 -3.491 523 HD1 HIS 76 1HD HIS 76 7.998 9.916 -1.477 524 HD2 HIS 76 2HD HIS 76 8.904 6.009 -0.396 525 HE1 HIS 76 1HE HIS 76 8.548 10.008 0.975 526 HE2 HIS 76 2HE HIS 76 9.176 7.647 1.587 527 H ALA 77 H ALA 77 6.673 10.022 -3.505 528 HA ALA 77 HA ALA 77 5.705 10.835 -0.988 529 HB1 ALA 77 1HB ALA 77 5.472 12.522 -3.455 530 HB2 ALA 77 2HB ALA 77 5.803 13.020 -1.796 531 HB3 ALA 77 3HB ALA 77 7.040 12.175 -2.726 532 H GLN 78 H GLN 78 4.100 10.146 -4.033 533 HA GLN 78 HA GLN 78 1.582 11.258 -3.328 534 HB2 GLN 78 1HB GLN 78 2.368 9.199 -5.391 535 HB3 GLN 78 2HB GLN 78 0.737 9.837 -5.229 536 HG2 GLN 78 1HG GLN 78 3.086 11.648 -5.634 537 HG3 GLN 78 2HG GLN 78 2.277 10.866 -6.991 538 HE21 GLN 78 1HE2 GLN 78 2.366 13.575 -6.856 539 HE22 GLN 78 2HE2 GLN 78 0.794 14.206 -6.515 540 H ALA 79 H ALA 79 2.541 7.836 -3.668 541 HA ALA 79 HA ALA 79 0.365 6.574 -2.675 542 HB1 ALA 79 1HB ALA 79 2.063 5.168 -3.383 543 HB2 ALA 79 2HB ALA 79 3.278 5.960 -2.379 544 HB3 ALA 79 3HB ALA 79 2.063 4.919 -1.637 545 H VAL 80 H VAL 80 2.640 8.491 -0.865 546 HA VAL 80 HA VAL 80 1.737 7.596 1.717 547 HB VAL 80 HB VAL 80 3.483 9.913 0.888 548 HG11 VAL 80 1HG1 VAL 80 2.816 8.967 3.674 549 HG12 VAL 80 2HG1 VAL 80 3.998 10.209 3.258 550 HG13 VAL 80 3HG1 VAL 80 2.284 10.479 2.940 551 HG21 VAL 80 1HG2 VAL 80 4.556 7.778 2.582 552 HG22 VAL 80 2HG2 VAL 80 4.060 7.249 0.974 553 HG23 VAL 80 3HG2 VAL 80 5.243 8.545 1.150 554 H GLU 81 H GLU 81 1.163 10.384 -0.375 555 HA GLU 81 HA GLU 81 -0.418 11.824 1.497 556 HB2 GLU 81 1HB GLU 81 0.604 13.028 -0.304 557 HB3 GLU 81 2HB GLU 81 -0.164 12.000 -1.505 558 HG2 GLU 81 1HG GLU 81 -1.492 13.846 -1.628 559 HG3 GLU 81 2HG GLU 81 -2.369 12.904 -0.423 560 H ARG 82 H ARG 82 -1.139 9.490 -1.039 561 HA ARG 82 HA ARG 82 -3.912 9.779 -1.144 562 HB2 ARG 82 1HB ARG 82 -2.167 7.353 -1.576 563 HB3 ARG 82 2HB ARG 82 -3.894 7.373 -1.908 564 HG2 ARG 82 1HG ARG 82 -1.872 9.196 -3.194 565 HG3 ARG 82 2HG ARG 82 -2.520 7.723 -3.918 566 HD2 ARG 82 1HD ARG 82 -3.856 9.370 -4.848 567 HD3 ARG 82 2HD ARG 82 -4.825 8.816 -3.483 568 HE ARG 82 HE ARG 82 -3.215 10.968 -2.662 569 HH11 ARG 82 2HH1 ARG 82 -5.966 10.285 -4.683 570 HH12 ARG 82 1HH1 ARG 82 -6.663 11.859 -4.490 571 HH21 ARG 82 2HH2 ARG 82 -4.123 13.044 -2.400 572 HH22 ARG 82 1HH2 ARG 82 -5.614 13.428 -3.192 573 H ILE 83 H ILE 83 -1.937 7.639 0.894 574 HA ILE 83 HA ILE 83 -4.003 6.328 2.222 575 HB ILE 83 HB ILE 83 -1.317 7.087 3.378 576 HG12 ILE 83 1HG1 ILE 83 -1.955 4.421 2.169 577 HG13 ILE 83 2HG1 ILE 83 -1.504 5.760 1.119 578 HG21 ILE 83 1HG2 ILE 83 -2.222 4.584 4.308 579 HG22 ILE 83 2HG2 ILE 83 -2.004 6.073 5.226 580 HG23 ILE 83 3HG2 ILE 83 -3.563 5.715 4.482 581 HD11 ILE 83 1HD1 ILE 83 0.150 4.698 3.397 582 HD12 ILE 83 2HD1 ILE 83 0.403 4.348 1.687 583 HD13 ILE 83 3HD1 ILE 83 0.605 5.993 2.289 584 H ARG 84 H ARG 84 -2.166 9.181 3.330 585 HA ARG 84 HA ARG 84 -3.591 9.681 5.654 586 HB2 ARG 84 1HB ARG 84 -2.138 11.524 3.765 587 HB3 ARG 84 2HB ARG 84 -2.886 12.111 5.244 588 HG2 ARG 84 1HG ARG 84 -1.473 10.157 6.318 589 HG3 ARG 84 2HG ARG 84 -0.487 10.405 4.876 590 HD2 ARG 84 1HD ARG 84 0.498 11.861 6.364 591 HD3 ARG 84 2HD ARG 84 -0.647 12.919 5.540 592 HE ARG 84 HE ARG 84 -1.745 13.190 7.522 593 HH11 ARG 84 2HH1 ARG 84 0.238 10.336 7.722 594 HH12 ARG 84 1HH1 ARG 84 -0.080 10.073 9.405 595 HH21 ARG 84 2HH2 ARG 84 -2.172 12.856 9.738 596 HH22 ARG 84 1HH2 ARG 84 -1.452 11.507 10.550 597 H ALA 85 H ALA 85 -4.143 11.059 2.415 598 HA ALA 85 HA ALA 85 -6.442 12.534 3.120 599 HB1 ALA 85 1HB ALA 85 -5.223 11.636 0.554 600 HB2 ALA 85 2HB ALA 85 -6.860 12.291 0.543 601 HB3 ALA 85 3HB ALA 85 -5.524 13.268 1.151 602 H GLY 86 H GLY 86 -5.951 9.186 2.524 603 HA2 GLY 86 1HA GLY 86 -8.372 8.325 1.512 604 HA3 GLY 86 2HA GLY 86 -7.393 7.401 2.642 605 H GLY 87 H GLY 87 -7.782 9.805 4.548 606 HA2 GLY 87 1HA GLY 87 -9.676 10.662 5.781 607 HA3 GLY 87 2HA GLY 87 -10.565 9.216 5.324 608 HA PRO 88 HA PRO 88 -9.134 8.579 9.654 609 HB2 PRO 88 1HB PRO 88 -11.428 7.373 10.463 610 HB3 PRO 88 2HB PRO 88 -11.218 9.128 10.448 611 HG2 PRO 88 1HG PRO 88 -12.587 7.367 8.452 612 HG3 PRO 88 2HG PRO 88 -13.105 8.934 9.102 613 HD2 PRO 88 1HD PRO 88 -11.942 8.678 6.670 614 HD3 PRO 88 2HD PRO 88 -11.726 10.119 7.685 615 H GLN 89 H GLN 89 -10.405 6.523 7.161 616 HA GLN 89 HA GLN 89 -9.383 4.136 8.531 617 HB2 GLN 89 1HB GLN 89 -11.423 4.579 6.391 618 HB3 GLN 89 2HB GLN 89 -10.590 3.033 6.467 619 HG2 GLN 89 1HG GLN 89 -11.856 4.146 8.925 620 HG3 GLN 89 2HG GLN 89 -12.854 3.370 7.697 621 HE21 GLN 89 1HE2 GLN 89 -11.592 1.263 6.867 622 HE22 GLN 89 2HE2 GLN 89 -11.177 0.181 8.147 623 H LEU 90 H LEU 90 -7.910 2.756 7.536 624 HA LEU 90 HA LEU 90 -6.420 3.968 5.307 625 HB2 LEU 90 1HB LEU 90 -4.907 3.846 7.035 626 HB3 LEU 90 2HB LEU 90 -5.606 2.362 7.680 627 HG LEU 90 HG LEU 90 -4.215 2.247 5.049 628 HD11 LEU 90 1HD1 LEU 90 -2.323 1.649 7.058 629 HD12 LEU 90 2HD1 LEU 90 -2.968 3.253 7.404 630 HD13 LEU 90 3HD1 LEU 90 -2.252 2.912 5.829 631 HD21 LEU 90 1HD2 LEU 90 -4.121 0.328 7.358 632 HD22 LEU 90 2HD2 LEU 90 -3.806 0.016 5.651 633 HD23 LEU 90 3HD2 LEU 90 -5.452 0.337 6.200 634 H HIS 91 H HIS 91 -5.803 2.725 3.552 635 HA HIS 91 HA HIS 91 -6.627 -0.071 3.453 636 HB2 HIS 91 1HB HIS 91 -8.476 1.567 2.599 637 HB3 HIS 91 2HB HIS 91 -7.444 1.707 1.180 638 HD1 HIS 91 1HD HIS 91 -7.707 -0.056 -0.558 639 HD2 HIS 91 2HD HIS 91 -9.330 -1.194 3.093 640 HE1 HIS 91 1HE HIS 91 -8.875 -2.240 -0.993 641 HE2 HIS 91 2HE HIS 91 -9.922 -2.867 1.210 642 H LEU 92 H LEU 92 -4.846 -1.096 2.842 643 HA LEU 92 HA LEU 92 -3.291 0.009 0.604 644 HB2 LEU 92 1HB LEU 92 -2.085 -1.417 2.964 645 HB3 LEU 92 2HB LEU 92 -1.234 -0.625 1.640 646 HG LEU 92 HG LEU 92 -2.868 0.768 3.761 647 HD11 LEU 92 1HD1 LEU 92 -0.647 -0.304 4.424 648 HD12 LEU 92 2HD1 LEU 92 -0.863 1.410 4.776 649 HD13 LEU 92 3HD1 LEU 92 0.105 0.910 3.390 650 HD21 LEU 92 1HD2 LEU 92 -2.867 2.530 2.416 651 HD22 LEU 92 2HD2 LEU 92 -2.020 1.607 1.175 652 HD23 LEU 92 3HD2 LEU 92 -1.104 2.501 2.389 653 H VAL 93 H VAL 93 -2.812 -1.396 -0.981 654 HA VAL 93 HA VAL 93 -3.775 -4.136 -0.694 655 HB VAL 93 HB VAL 93 -2.716 -2.866 -3.213 656 HG11 VAL 93 1HG1 VAL 93 -3.509 -4.675 -4.313 657 HG12 VAL 93 2HG1 VAL 93 -3.293 -5.446 -2.740 658 HG13 VAL 93 3HG1 VAL 93 -4.886 -4.867 -3.228 659 HG21 VAL 93 1HG2 VAL 93 -5.348 -2.538 -1.862 660 HG22 VAL 93 2HG2 VAL 93 -4.408 -1.377 -2.800 661 HG23 VAL 93 3HG2 VAL 93 -5.312 -2.649 -3.622 662 H ILE 94 H ILE 94 -2.365 -5.585 0.030 663 HA ILE 94 HA ILE 94 0.418 -5.430 -0.932 664 HB ILE 94 HB ILE 94 -0.503 -6.607 1.691 665 HG12 ILE 94 1HG1 ILE 94 -0.648 -4.054 1.406 666 HG13 ILE 94 2HG1 ILE 94 0.253 -4.668 2.788 667 HG21 ILE 94 1HG2 ILE 94 1.847 -6.783 2.218 668 HG22 ILE 94 2HG2 ILE 94 1.516 -7.630 0.709 669 HG23 ILE 94 3HG2 ILE 94 2.279 -6.041 0.678 670 HD11 ILE 94 1HD1 ILE 94 1.758 -4.128 0.296 671 HD12 ILE 94 2HD1 ILE 94 1.189 -2.750 1.238 672 HD13 ILE 94 3HD1 ILE 94 2.247 -3.950 1.980 673 H ARG 95 H ARG 95 1.496 -7.410 -1.352 674 HA ARG 95 HA ARG 95 -0.230 -9.777 -1.566 675 HB2 ARG 95 1HB ARG 95 -0.260 -8.939 -3.779 676 HB3 ARG 95 2HB ARG 95 1.451 -8.538 -3.734 677 HG2 ARG 95 1HG ARG 95 1.876 -11.033 -3.524 678 HG3 ARG 95 2HG ARG 95 0.179 -11.245 -3.963 679 HD2 ARG 95 1HD ARG 95 0.500 -10.262 -6.081 680 HD3 ARG 95 2HD ARG 95 2.072 -9.606 -5.624 681 HE ARG 95 HE ARG 95 2.393 -12.297 -5.398 682 HH11 ARG 95 2HH1 ARG 95 1.306 -10.179 -7.939 683 HH12 ARG 95 1HH1 ARG 95 1.879 -11.201 -9.215 684 HH21 ARG 95 2HH2 ARG 95 3.152 -13.651 -7.069 685 HH22 ARG 95 1HH2 ARG 95 2.928 -13.176 -8.719 686 H ARG 96 H ARG 96 0.715 -11.002 -0.024 687 HA ARG 96 HA ARG 96 3.411 -11.052 0.666 688 HB2 ARG 96 1HB ARG 96 1.632 -12.007 2.065 689 HB3 ARG 96 2HB ARG 96 1.388 -13.288 0.885 690 HG2 ARG 96 1HG ARG 96 3.931 -13.745 1.312 691 HG3 ARG 96 2HG ARG 96 3.610 -12.892 2.823 692 HD2 ARG 96 1HD ARG 96 1.775 -15.079 1.957 693 HD3 ARG 96 2HD ARG 96 3.333 -15.493 2.670 694 HE ARG 96 HE ARG 96 1.926 -13.590 4.251 695 HH11 ARG 96 2HH1 ARG 96 2.101 -16.976 3.460 696 HH12 ARG 96 1HH1 ARG 96 1.438 -17.498 4.973 697 HH21 ARG 96 2HH2 ARG 96 1.053 -14.265 6.248 698 HH22 ARG 96 1HH2 ARG 96 0.841 -15.955 6.558 699 HA PRO 97 HA PRO 97 4.914 -13.013 -3.089 700 HB2 PRO 97 1HB PRO 97 7.539 -12.646 -2.502 701 HB3 PRO 97 2HB PRO 97 6.514 -11.365 -3.159 702 HG2 PRO 97 1HG PRO 97 7.340 -11.865 -0.325 703 HG3 PRO 97 2HG PRO 97 7.257 -10.332 -1.213 704 HD2 PRO 97 1HD PRO 97 5.331 -11.117 0.521 705 HD3 PRO 97 2HD PRO 97 4.979 -10.139 -0.919 706 H LEU 98 H LEU 98 6.722 -14.694 -3.432 707 HA LEU 98 HA LEU 98 6.471 -16.714 -1.313 708 HB2 LEU 98 1HB LEU 98 6.831 -16.875 -4.279 709 HB3 LEU 98 2HB LEU 98 7.284 -18.233 -3.252 710 HG LEU 98 HG LEU 98 4.529 -17.075 -3.082 711 HD11 LEU 98 1HD1 LEU 98 5.637 -18.135 -5.451 712 HD12 LEU 98 2HD1 LEU 98 3.952 -17.741 -5.113 713 HD13 LEU 98 3HD1 LEU 98 4.562 -19.362 -4.781 714 HD21 LEU 98 1HD2 LEU 98 4.946 -18.634 -1.389 715 HD22 LEU 98 2HD2 LEU 98 5.845 -19.702 -2.467 716 HD23 LEU 98 3HD2 LEU 98 4.094 -19.556 -2.628 717 H SER 99 H SER 99 8.180 -16.256 0.014 718 HA SER 99 HA SER 99 10.731 -17.207 -0.743 719 HB2 SER 99 1HB SER 99 10.327 -14.227 -0.695 720 HB3 SER 99 2HB SER 99 11.894 -14.932 -0.299 721 HG SER 99 HG SER 99 11.068 -14.382 -2.664 722 H GLY 100 H GLY 100 11.804 -17.849 1.034 723 HA2 GLY 100 1HA GLY 100 10.582 -17.637 3.580 724 HA3 GLY 100 2HA GLY 100 12.179 -18.297 3.255 725 HA PRO 101 HA PRO 101 12.195 -13.867 5.161 726 HB2 PRO 101 1HB PRO 101 12.078 -14.420 7.816 727 HB3 PRO 101 2HB PRO 101 10.643 -14.079 6.841 728 HG2 PRO 101 1HG PRO 101 11.757 -16.717 7.716 729 HG3 PRO 101 2HG PRO 101 10.072 -16.168 7.690 730 HD2 PRO 101 1HD PRO 101 11.111 -17.772 5.772 731 HD3 PRO 101 2HD PRO 101 9.841 -16.579 5.434 732 H SER 102 H SER 102 14.140 -13.013 5.702 733 HA SER 102 HA SER 102 16.204 -14.831 6.749 734 HB2 SER 102 1HB SER 102 16.604 -14.575 4.361 735 HB3 SER 102 2HB SER 102 16.528 -12.820 4.509 736 HG SER 102 HG SER 102 18.397 -14.360 5.965 737 H SER 103 H SER 103 15.241 -13.627 8.700 738 HA SER 103 HA SER 103 16.126 -10.898 9.036 739 HB2 SER 103 1HB SER 103 14.929 -12.812 11.055 740 HB3 SER 103 2HB SER 103 15.143 -11.075 11.274 741 HG SER 103 HG SER 103 13.753 -10.839 9.391 742 H GLY 104 H GLY 104 17.581 -10.200 10.708 743 HA2 GLY 104 1HA GLY 104 19.107 -11.480 12.470 744 HA3 GLY 104 2HA GLY 104 19.848 -12.014 10.968
Contact the webmaster for help, if required. Monday, May 6, 2024 12:47:58 AM GMT (wattos1)